++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:06:05 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.ins Phases from ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.phi Native data from ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.hkl Listing output to ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.lst Phases output to ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.phs Poly-Ala trace output to ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 Allowed origin shift code: 1 70806 Reflections read from file ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.phi 70806 Reflections read from file ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.hkl 70806 Unique data, highest resolution = 1.950 Angstroms Anisotropic scaling: intensities multiplied by 0.000174h^2 +0.000041k^2 -0.000002l^2 -0.000138kl -0.000227hl +0.000106hk 5476 Reflections with d > 2.150 and 0 in range 2.150 > d > 1.950 added Density sharpening factor set to 0.83 Fourier grid = 128 x 128 x 145 0.000 <= z <= 1.000 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.669 = 0.300, Contrast = 0.283, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.360, Connect. = 0.686 for dens.mod. cycle 2 = 0.300, Contrast = 0.472, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.504, Connect. = 0.740 for dens.mod. cycle 4 = 0.300, Contrast = 0.525, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.547, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.553, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6014 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1282 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 34.141 2.048 0.805 0.930 1.000 0.950 CB 1.444 B: 17 29.749 2.063 0.722 0.938 0.938 0.875 CB 1.553 C: 20 34.098 1.945 0.899 0.927 1.000 0.947 CB 1.484 17 residues pruned to eliminate duplicates D: 18 17.286 1.811 0.466 0.944 0.941 0.941 CA 1.162 E: 8 15.345 1.961 0.597 0.739 1.000 0.857 CA 1.494 F: 21 23.371 1.964 0.527 0.929 0.950 0.950 CB 1.283 21 residues pruned to eliminate duplicates G: 20 27.942 1.942 0.571 0.935 1.000 0.789 CB 1.465 20 residues pruned to eliminate duplicates H: 19 31.164 2.079 0.816 0.919 0.944 0.833 CB 1.452 19 residues pruned to eliminate duplicates I: 22 32.045 1.986 0.682 0.927 1.000 0.857 CB 1.467 22 residues pruned to eliminate duplicates J: 12 11.047 1.674 0.790 0.430 0.909 0.545 CA 1.315 K: 21 34.436 2.002 0.861 0.934 1.000 0.850 CB 1.441 21 residues pruned to eliminate duplicates L: 24 14.360 1.865 0.810 0.365 0.870 0.522 CB 1.179 M: 12 19.782 2.032 0.508 0.905 1.000 0.727 CA 1.385 12 residues pruned to eliminate duplicates N: 10 13.636 1.793 0.752 0.635 0.889 0.556 CB 1.434 10 residues pruned to eliminate duplicates O: 18 25.417 1.983 0.546 0.901 1.000 0.824 CA 1.435 18 residues pruned to eliminate duplicates P: 9 12.464 1.641 0.750 0.823 1.000 0.875 CA 1.160 Q: 15 11.530 1.737 0.544 0.560 1.000 0.786 CB 1.084 R: 20 39.783 2.086 1.116 0.945 1.000 0.947 CB 1.431 21 residues pruned to eliminate duplicates S: 8 10.829 1.899 0.469 0.586 0.857 0.714 CA 1.577 8 residues pruned to eliminate duplicates T: 12 14.338 1.807 0.667 0.611 0.909 0.727 CA 1.421 U: 20 20.434 1.940 0.598 0.841 0.947 0.789 CB 1.191 16 residues pruned to eliminate duplicates V: 9 6.136 1.699 0.584 0.397 0.750 0.500 CB 1.198 W: 20 36.906 1.994 0.990 0.933 1.000 0.842 CB 1.490 20 residues pruned to eliminate duplicates X: 20 26.965 1.929 0.555 0.897 1.000 0.737 CB 1.477 20 residues pruned to eliminate duplicates Y: 37 27.034 1.920 0.558 0.673 0.972 0.722 CB 1.321 32 residues pruned to eliminate duplicates Z: 14 7.625 1.491 0.900 0.420 0.923 0.692 CB 0.879 Z: 11 12.229 1.743 1.006 0.903 1.000 0.900 CB 0.788 Z: 18 26.145 2.034 0.597 0.919 1.000 1.000 CB 1.376 20 residues pruned to eliminate duplicates Z: 36 31.994 1.937 0.783 0.687 0.943 0.714 CB 1.399 36 residues pruned to eliminate duplicates Z: 20 38.781 2.091 1.048 0.952 1.000 0.684 CB 1.431 25 residues pruned to eliminate duplicates Z: 7 9.133 1.974 0.492 0.715 0.833 0.833 CB 1.250 7 residues pruned to eliminate duplicates Z: 29 21.485 1.990 0.856 0.517 0.857 0.607 CB 1.261 34 residues pruned to eliminate duplicates Z: 18 23.495 2.055 0.697 0.931 0.941 0.765 CB 1.213 18 residues pruned to eliminate duplicates Z: 24 10.729 1.817 0.648 0.362 0.783 0.609 CB 1.107 12 residues pruned to eliminate duplicates Z: 9 4.116 1.772 0.893 0.346 0.500 0.500 CB 1.025 9 residues pruned to eliminate duplicates Z: 19 29.307 2.024 0.991 0.944 1.000 0.778 CB 1.187 18 residues pruned to eliminate duplicates Z: 12 9.388 1.657 0.709 0.552 1.000 0.636 CB 0.950 9 residues pruned to eliminate duplicates Z: 12 22.524 2.018 0.723 0.915 1.000 0.818 CA 1.380 18 residues pruned to eliminate duplicates Z: 37 11.771 1.623 0.371 0.411 0.889 0.611 CB 1.089 13 residues pruned to eliminate duplicates Z: 16 9.593 1.582 0.412 0.463 0.933 0.533 CB 1.234 Z: 11 10.475 1.730 0.629 0.910 0.900 0.800 CB 0.926 Z: 21 29.404 2.019 0.888 0.920 0.950 0.650 CB 1.279 20 residues pruned to eliminate duplicates Z: 8 8.116 1.692 1.079 0.870 0.857 0.714 CB 0.742 8 residues pruned to eliminate duplicates Z: 16 19.054 1.816 0.753 0.927 1.000 0.867 CA 1.083 12 residues pruned to eliminate duplicates Z: 13 8.446 1.500 0.488 0.894 1.000 0.917 CB 0.784 Z: 11 13.559 1.767 1.159 0.909 1.000 0.700 CB 0.798 11 residues pruned to eliminate duplicates Z: 9 13.185 1.909 0.454 0.686 1.000 0.875 CB 1.416 Z: 19 30.028 1.936 0.928 0.898 0.944 0.444 CB 1.435 19 residues pruned to eliminate duplicates Z: 22 15.334 1.850 0.773 0.385 0.905 0.524 CB 1.273 18 residues pruned to eliminate duplicates Z: 9 11.200 1.554 0.610 0.857 1.000 0.875 CA 1.167 9 residues pruned to eliminate duplicates Z: 39 31.720 1.893 0.850 0.654 0.974 0.737 CB 1.308 21 residues pruned to eliminate duplicates Z: 9 13.210 1.696 0.918 0.756 0.875 0.875 CA 1.307 8 residues pruned to eliminate duplicates Z: 28 11.167 1.853 0.633 0.259 0.778 0.630 CB 1.203 24 residues pruned to eliminate duplicates Z: 21 34.535 2.035 0.829 0.931 1.000 0.950 CB 1.450 21 residues pruned to eliminate duplicates Z: 15 7.901 1.467 0.582 0.481 0.857 0.571 CB 1.082 Z: 9 13.829 1.675 0.728 0.796 1.000 0.750 CA 1.304 Z: 19 20.599 1.809 0.721 0.919 0.944 0.611 CA 1.164 16 residues pruned to eliminate duplicates Z: 7 3.145 1.128 0.402 0.797 1.000 0.667 CB 0.626 Z: 25 14.328 1.832 0.668 0.378 0.917 0.583 CB 1.189 13 residues pruned to eliminate duplicates Z: 20 13.573 1.806 0.517 0.480 1.000 0.684 CB 1.160 20 residues pruned to eliminate duplicates Z: 9 7.599 1.831 0.689 0.586 0.750 0.500 CB 1.067 13 residues pruned to eliminate duplicates Z: 9 12.727 1.682 0.640 0.836 1.000 0.750 CA 1.220 9 residues pruned to eliminate duplicates Z: 8 8.181 1.865 0.525 0.559 0.714 0.571 CA 1.437 8 residues pruned to eliminate duplicates Z: 25 13.573 1.866 0.508 0.362 0.833 0.625 CB 1.370 25 residues pruned to eliminate duplicates Z: 9 12.831 1.655 0.704 0.808 1.000 0.750 CA 1.229 9 residues pruned to eliminate duplicates Z: 8 11.668 1.751 1.096 0.706 0.857 0.857 C 1.162 Z: 15 6.071 1.618 0.558 0.336 0.643 0.500 CB 1.199 15 residues pruned to eliminate duplicates Z: 13 14.533 1.725 0.805 0.588 0.917 0.750 CB 1.352 12 residues pruned to eliminate duplicates Z: 8 5.253 1.518 0.697 0.448 0.714 0.429 CB 1.138 Z: 27 9.176 1.673 0.430 0.384 0.846 0.500 CB 1.006 32 residues pruned to eliminate duplicates Z: 13 18.808 2.013 0.487 0.927 1.000 0.917 CA 1.271 13 residues pruned to eliminate duplicates Z: 7 8.573 1.695 0.158 0.744 1.000 0.667 CB 1.434 7 residues pruned to eliminate duplicates Z: 20 31.278 1.893 0.959 0.872 0.947 0.842 CB 1.489 20 residues pruned to eliminate duplicates Z: 7 5.355 1.696 0.348 0.573 0.667 0.500 CB 1.337 Z: 12 10.061 1.524 0.648 0.936 1.000 0.909 CA 0.841 13 residues pruned to eliminate duplicates Z: 23 17.821 1.796 0.481 0.819 0.955 0.682 CB 1.134 23 residues pruned to eliminate duplicates Z: 17 15.149 1.765 0.323 0.945 1.000 0.938 CA 1.122 16 residues pruned to eliminate duplicates Z: 20 11.378 1.653 0.490 0.470 0.947 0.632 CB 1.153 Z: 9 8.155 1.726 0.363 0.569 1.000 0.750 CB 1.146 9 residues pruned to eliminate duplicates Z: 21 28.695 2.020 0.726 0.917 0.950 0.800 CB 1.367 21 residues pruned to eliminate duplicates Z: 23 12.436 1.984 0.761 0.227 0.818 0.318 CB 1.275 8 residues pruned to eliminate duplicates Z: 7 8.180 1.779 0.331 0.552 1.000 0.667 CB 1.341 Z: 13 5.861 1.553 0.286 0.440 0.833 0.417 CA 1.082 13 residues pruned to eliminate duplicates Z: 8 2.708 1.601 0.806 0.208 0.714 0.571 CB 0.700 3 residues pruned to eliminate duplicates Z: 9 11.783 1.843 0.797 0.647 0.875 0.875 CB 1.253 Z: 14 15.540 1.751 0.778 0.558 1.000 0.692 CB 1.309 12 residues pruned to eliminate duplicates Z: 9 5.893 1.818 0.464 0.255 0.875 0.500 CA 1.185 Z: 6 4.229 1.756 0.562 0.526 0.600 0.600 CA 1.120 Z: 17 13.179 1.745 0.893 0.355 0.938 0.688 CB 1.244 13 residues pruned to eliminate duplicates Z: 13 5.304 1.764 0.344 0.443 0.750 0.500 CB 0.914 13 residues pruned to eliminate duplicates Z: 34 31.950 1.953 0.827 0.637 1.000 0.697 CB 1.370 36 residues pruned to eliminate duplicates Z: 8 5.517 1.621 0.774 0.545 0.714 0.714 CB 0.972 Z: 13 14.350 1.637 0.698 0.551 1.000 0.667 CA 1.418 13 residues pruned to eliminate duplicates Z: 20 13.136 1.789 0.559 0.489 0.947 0.684 CB 1.153 20 residues pruned to eliminate duplicates Z: 14 8.142 1.757 0.682 0.346 0.846 0.462 CB 1.068 Z: 8 3.763 1.630 0.627 0.322 0.714 0.429 CB 0.913 Z: 8 9.182 1.894 0.686 0.469 0.857 0.286 CA 1.308 8 residues pruned to eliminate duplicates Z: 8 14.545 1.886 0.865 0.810 0.857 0.571 CA 1.392 8 residues pruned to eliminate duplicates Z: 19 29.012 2.006 0.927 0.933 1.000 0.722 CB 1.234 19 residues pruned to eliminate duplicates Z: 7 6.404 1.712 0.357 0.879 1.000 1.000 CB 0.816 7 residues pruned to eliminate duplicates Z: 6 2.982 1.635 0.106 0.473 0.600 0.400 C 1.263 Z: 10 12.820 1.833 1.033 0.528 0.778 0.556 CB 1.435 9 residues pruned to eliminate duplicates Z: 19 28.834 1.937 1.035 0.928 1.000 0.500 CB 1.208 17 residues pruned to eliminate duplicates Z: 24 12.151 1.791 0.782 0.294 0.783 0.391 CB 1.277 Z: 20 35.746 2.057 0.922 0.945 1.000 0.895 CB 1.436 20 residues pruned to eliminate duplicates Z: 14 7.216 1.658 0.704 0.441 0.923 0.692 CB 0.815 14 residues pruned to eliminate duplicates Z: 21 9.885 1.626 0.533 0.358 0.850 0.550 CB 1.216 21 residues pruned to eliminate duplicates Z: 7 7.785 1.790 0.452 0.691 0.833 0.667 CB 1.232 Z: 9 8.418 1.760 0.322 0.583 1.000 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 20 12.870 1.853 0.853 0.370 0.737 0.579 CB 1.341 20 residues pruned to eliminate duplicates Z: 9 7.262 1.505 0.294 0.750 0.875 0.625 O 1.206 9 residues pruned to eliminate duplicates Z: 32 20.948 1.826 0.600 0.741 0.968 0.903 CA 1.073 34 residues pruned to eliminate duplicates Z: 13 9.076 1.972 0.488 0.372 0.917 0.417 CB 1.117 14 residues pruned to eliminate duplicates Z: 18 25.177 1.999 0.571 0.900 1.000 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 8 5.699 1.431 0.380 0.417 1.000 0.571 N 1.190 Z: 24 13.369 1.731 0.679 0.364 0.870 0.565 CB 1.276 10 residues pruned to eliminate duplicates Z: 6 3.325 1.665 0.105 0.477 0.600 0.600 CA 1.378 6 residues pruned to eliminate duplicates Z: 6 4.088 1.718 0.448 0.484 0.600 0.600 CA 1.245 Z: 14 11.093 1.804 0.330 0.406 0.923 0.462 CA 1.533 14 residues pruned to eliminate duplicates Z: 17 30.134 2.009 1.038 0.916 1.000 0.750 CB 1.300 17 residues pruned to eliminate duplicates Z: 8 4.068 1.872 0.740 0.348 0.714 0.429 CB 0.779 8 residues pruned to eliminate duplicates Z: 27 22.361 1.930 0.611 0.691 0.923 0.808 CA 1.282 27 residues pruned to eliminate duplicates Z: 9 8.016 1.573 0.120 0.861 1.000 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 13 6.289 1.580 0.771 0.379 0.750 0.333 CB 0.984 6 residues pruned to eliminate duplicates Z: 8 6.633 1.728 0.672 0.448 0.714 0.714 CB 1.281 Z: 8 7.890 1.664 0.824 0.512 0.857 0.571 CB 1.132 8 residues pruned to eliminate duplicates Z: 6 5.262 1.178 1.103 0.605 1.000 0.800 CA 0.860 Z: 21 30.622 2.028 0.846 0.944 0.950 0.750 CB 1.333 21 residues pruned to eliminate duplicates Z: 16 7.938 1.621 0.245 0.423 1.000 0.533 CB 1.099 17 residues pruned to eliminate duplicates Z: 18 22.612 1.990 0.362 0.911 1.000 0.882 CB 1.434 18 residues pruned to eliminate duplicates Z: 13 14.704 1.755 0.650 0.497 1.000 0.583 C 1.471 Z: 7 9.617 2.051 1.324 0.465 0.833 0.500 CB 1.025 7 residues pruned to eliminate duplicates Z: 21 27.348 1.889 0.594 0.888 1.000 0.900 CA 1.464 21 residues pruned to eliminate duplicates Z: 18 24.233 1.908 0.838 0.896 1.000 0.588 CB 1.201 18 residues pruned to eliminate duplicates Z: 6 2.112 1.381 0.197 0.404 0.800 0.400 CB 0.790 6 residues pruned to eliminate duplicates Z: 18 13.268 1.977 1.026 0.319 0.824 0.588 CB 1.191 18 residues pruned to eliminate duplicates Z: 16 5.620 1.688 0.439 0.304 0.733 0.600 CB 1.013 Z: 28 13.211 1.813 0.484 0.403 0.852 0.481 CB 1.229 21 residues pruned to eliminate duplicates Z: 12 5.915 1.558 0.463 0.367 0.818 0.455 CB 1.102 8 residues pruned to eliminate duplicates Z: 21 8.220 1.623 0.255 0.376 1.000 0.700 CB 1.030 19 residues pruned to eliminate duplicates Z: 10 8.805 1.666 0.387 0.506 1.000 0.667 CB 1.263 Z: 22 11.881 1.690 0.749 0.439 0.905 0.476 CB 1.033 18 residues pruned to eliminate duplicates Z: 20 38.656 2.079 1.020 0.960 1.000 0.737 CB 1.447 20 residues pruned to eliminate duplicates Z: 19 14.534 1.804 0.726 0.562 0.944 0.611 CB 1.097 8 residues pruned to eliminate duplicates Z: 13 24.434 2.008 0.782 0.943 1.000 0.833 CA 1.367 13 residues pruned to eliminate duplicates Z: 19 31.154 2.033 0.766 0.941 1.000 0.833 CB 1.419 19 residues pruned to eliminate duplicates Z: 14 6.485 1.573 0.726 0.381 0.769 0.462 CB 0.977 14 residues pruned to eliminate duplicates Z: 12 13.857 1.802 0.883 0.419 1.000 0.636 CA 1.340 12 residues pruned to eliminate duplicates Z: 30 19.800 1.812 0.703 0.477 0.931 0.690 CA 1.311 Z: 22 12.484 1.776 0.790 0.484 0.810 0.714 CB 1.076 Z: 9 6.660 1.543 0.696 0.578 0.875 0.750 CB 0.954 9 residues pruned to eliminate duplicates Z: 29 12.177 1.810 0.743 0.369 0.750 0.500 CB 1.119 27 residues pruned to eliminate duplicates Z: 8 6.550 1.590 0.453 0.350 1.000 0.714 N 1.260 8 residues pruned to eliminate duplicates Z: 18 8.100 1.756 0.445 0.367 0.824 0.529 CA 1.084 Z: 18 26.085 1.968 0.877 0.938 1.000 0.882 CB 1.191 18 residues pruned to eliminate duplicates Z: 20 13.869 1.890 1.020 0.341 0.895 0.474 CB 1.107 20 residues pruned to eliminate duplicates Z: 19 9.767 1.808 0.607 0.357 0.778 0.500 CB 1.189 17 residues pruned to eliminate duplicates Z: 21 30.471 2.030 0.640 0.939 1.000 0.850 CB 1.422 21 residues pruned to eliminate duplicates Z: 7 2.314 1.463 0.234 0.351 0.667 0.500 N 0.922 Z: 9 5.746 1.716 0.494 0.575 0.875 0.375 CB 0.842 9 residues pruned to eliminate duplicates Z: 21 15.471 1.901 0.838 0.369 0.950 0.650 CB 1.199 21 residues pruned to eliminate duplicates Z: 16 6.834 1.611 0.569 0.365 0.867 0.467 CB 0.931 16 residues pruned to eliminate duplicates Z: 12 5.511 1.741 0.343 0.264 0.818 0.455 CB 1.138 12 residues pruned to eliminate duplicates Z: 7 4.900 1.520 0.495 0.380 1.000 0.333 CA 1.000 7 residues pruned to eliminate duplicates Z: 21 41.487 2.053 1.134 0.940 1.000 0.750 CB 1.470 21 residues pruned to eliminate duplicates Z: 16 12.810 1.707 0.834 0.551 0.800 0.600 CB 1.257 16 residues pruned to eliminate duplicates Z: 17 24.209 1.800 0.885 0.913 0.938 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 18 29.099 1.954 0.801 0.879 0.941 0.765 CB 1.546 18 residues pruned to eliminate duplicates Z: 7 11.661 1.871 0.663 0.748 1.000 0.833 CA 1.226 11 residues pruned to eliminate duplicates Z: 17 8.551 1.691 0.452 0.319 0.938 0.625 CA 1.134 17 residues pruned to eliminate duplicates Z: 13 9.293 1.860 0.948 0.309 0.833 0.583 CB 1.098 13 residues pruned to eliminate duplicates Z: 6 3.588 1.498 0.450 0.433 1.000 0.600 CB 0.791 Z: 10 5.461 1.546 0.205 0.545 0.778 0.556 CB 1.203 10 residues pruned to eliminate duplicates Z: 8 3.228 1.600 0.575 0.345 0.571 0.429 CA 1.003 7 1.887 1.527 0.055 0.243 0.833 0.333 CB 0.773 ? Z: 6 2.867 1.772 0.936 0.288 0.600 0.400 CB 0.790 Z: 19 26.472 1.863 0.619 0.916 1.000 0.611 CB 1.461 19 residues pruned to eliminate duplicates Z: 18 6.873 1.792 0.364 0.370 0.706 0.412 CB 1.111 18 residues pruned to eliminate duplicates Z: 6 3.576 1.923 0.610 0.280 0.600 0.400 CB 1.104 6 residues pruned to eliminate duplicates Z: 30 22.943 1.811 0.963 0.505 0.931 0.586 CA 1.281 30 residues pruned to eliminate duplicates Z: 6 2.185 1.586 0.629 0.288 0.600 0.400 CB 0.799 Z: 37 25.222 1.917 0.588 0.648 0.917 0.722 CB 1.313 37 residues pruned to eliminate duplicates Z: 12 3.314 1.582 0.301 0.135 0.727 0.273 CB 1.051 10 residues pruned to eliminate duplicates Z: 14 10.618 1.758 0.666 0.384 0.923 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 9 4.732 1.528 0.550 0.386 0.875 0.625 CB 0.912 9 residues pruned to eliminate duplicates Z: 10 7.640 1.536 0.476 0.604 0.778 0.667 CA 1.308 8 residues pruned to eliminate duplicates Z: 16 23.186 1.926 0.705 0.942 1.000 0.867 CA 1.265 16 residues pruned to eliminate duplicates Z: 19 19.329 1.924 0.436 0.853 0.944 0.889 CB 1.291 19 residues pruned to eliminate duplicates Z: 12 8.760 1.785 0.674 0.436 0.818 0.545 CB 1.154 12 residues pruned to eliminate duplicates Z: 7 3.944 1.517 0.652 0.458 0.667 0.500 CB 1.006 Z: 19 28.631 1.991 0.856 0.932 1.000 0.722 CB 1.275 19 residues pruned to eliminate duplicates Z: 7 3.284 1.470 0.306 0.440 0.833 0.333 CB 0.891 Z: 7 2.255 1.606 -0.029 0.248 0.667 0.500 CB 1.183 Z: 13 6.173 1.521 0.803 0.383 0.750 0.500 N 0.982 Z: 21 35.490 2.067 0.926 0.932 1.000 0.750 CB 1.392 21 residues pruned to eliminate duplicates Z: 8 8.290 1.834 0.383 0.673 0.857 0.571 CB 1.229 8 residues pruned to eliminate duplicates Z: 19 36.509 1.984 1.056 0.941 1.000 0.611 CB 1.464 19 residues pruned to eliminate duplicates Z: 9 3.651 1.493 0.563 0.426 0.625 0.500 CB 0.956 Z: 18 23.565 1.994 0.559 0.891 0.941 0.706 CB 1.404 18 residues pruned to eliminate duplicates Z: 19 35.780 2.114 1.038 0.940 0.944 0.667 CB 1.440 19 residues pruned to eliminate duplicates Z: 15 10.906 1.874 0.539 0.463 0.857 0.571 CB 1.225 10 residues pruned to eliminate duplicates Z: 37 15.563 1.806 0.540 0.417 0.917 0.556 CB 1.110 37 residues pruned to eliminate duplicates Z: 11 6.182 1.847 0.873 0.384 0.800 0.600 CB 0.800 11 residues pruned to eliminate duplicates Z: 23 15.925 1.760 0.894 0.421 0.909 0.636 CB 1.217 23 residues pruned to eliminate duplicates Z: 8 13.712 1.904 1.011 0.687 0.857 0.857 CB 1.329 8 residues pruned to eliminate duplicates Z: 10 10.289 1.682 0.709 0.504 0.889 0.556 CB 1.338 10 residues pruned to eliminate duplicates Z: 17 12.155 1.968 0.659 0.375 0.812 0.500 CB 1.308 17 residues pruned to eliminate duplicates Z: 6 2.582 1.532 0.523 0.292 0.600 0.400 N 1.041 Z: 6 8.224 1.750 0.131 0.885 1.000 1.000 CA 1.342 6 residues pruned to eliminate duplicates Z: 10 4.862 1.544 0.181 0.358 1.000 0.778 CB 1.036 7 residues pruned to eliminate duplicates Z: 6 7.994 1.820 0.575 0.644 0.800 0.600 CB 1.363 6 residues pruned to eliminate duplicates Z: 16 31.974 2.178 1.046 0.907 0.933 0.533 CB 1.411 16 residues pruned to eliminate duplicates Z: 8 12.688 1.766 0.595 0.755 1.000 0.857 CA 1.357 Z: 7 2.583 1.543 0.159 0.252 0.833 0.500 CB 0.940 Z: 29 23.347 1.851 0.984 0.487 0.929 0.500 CA 1.311 30 residues pruned to eliminate duplicates Z: 16 14.794 1.851 0.748 0.620 0.867 0.533 CB 1.216 16 residues pruned to eliminate duplicates Z: 10 4.062 1.575 0.800 0.313 0.667 0.444 CB 0.881 10 residues pruned to eliminate duplicates Z: 12 12.838 1.667 0.643 0.688 0.909 0.727 CA 1.308 10 residues pruned to eliminate duplicates Z: 8 4.551 1.747 0.581 0.351 0.571 0.429 CA 1.281 8 residues pruned to eliminate duplicates 6 1.344 1.481 0.526 0.386 0.400 0.400 CB 0.750 ? Z: 17 7.418 1.596 0.419 0.438 0.750 0.562 CB 1.165 17 residues pruned to eliminate duplicates Z: 12 8.772 1.807 0.399 0.558 0.909 0.727 CB 1.087 12 residues pruned to eliminate duplicates Z: 23 13.373 1.837 0.758 0.380 0.864 0.545 CB 1.162 24 residues pruned to eliminate duplicates Z: 16 7.415 1.716 0.493 0.388 0.867 0.733 CB 0.971 Z: 11 5.977 1.651 0.663 0.330 0.800 0.400 CB 1.037 10 residues pruned to eliminate duplicates Z: 16 27.494 2.084 0.746 0.933 1.000 0.533 CB 1.361 16 residues pruned to eliminate duplicates Z: 9 12.276 1.831 0.393 0.874 1.000 0.875 CA 1.239 9 residues pruned to eliminate duplicates Z: 29 13.232 1.830 0.705 0.369 0.857 0.571 CB 1.077 10 residues pruned to eliminate duplicates Z: 11 11.615 1.556 0.767 0.843 0.900 0.700 CB 1.105 Z: 18 9.463 1.641 0.531 0.417 0.824 0.647 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 4.560 1.496 0.510 0.386 0.750 0.250 CB 0.877 18 residues pruned to eliminate duplicates Z: 11 12.837 1.649 0.871 0.824 0.900 0.500 CA 1.104 11 residues pruned to eliminate duplicates Z: 16 14.554 1.700 1.081 0.371 0.933 0.600 CA 1.306 16 residues pruned to eliminate duplicates Z: 9 3.064 1.503 0.587 0.276 0.875 0.375 CB 0.668 Z: 19 29.304 1.918 0.958 0.921 1.000 0.722 CB 1.295 19 residues pruned to eliminate duplicates Z: 8 8.193 1.403 0.601 0.903 1.000 1.000 CB 0.982 Z: 19 40.262 2.096 1.146 0.945 1.000 0.889 CB 1.460 19 residues pruned to eliminate duplicates Z: 21 34.851 2.011 1.038 0.945 0.950 0.550 CB 1.385 21 residues pruned to eliminate duplicates Z: 12 20.720 2.055 0.501 0.930 1.000 0.909 CA 1.416 12 residues pruned to eliminate duplicates Z: 7 5.210 1.580 0.615 0.568 0.667 0.667 CB 1.171 7 residues pruned to eliminate duplicates Z: 7 7.281 1.522 0.714 0.563 1.000 0.667 CA 1.072 7 residues pruned to eliminate duplicates Z: 6 2.387 1.665 0.144 0.328 0.600 0.400 CB 1.129 6 residues pruned to eliminate duplicates Z: 10 9.739 1.597 0.715 0.730 0.889 0.667 CA 1.084 10 residues pruned to eliminate duplicates Z: 14 9.220 1.852 0.757 0.424 0.769 0.385 CB 1.106 14 residues pruned to eliminate duplicates Z: 14 5.973 1.591 0.437 0.326 0.846 0.538 CB 1.038 7 residues pruned to eliminate duplicates Z: 10 5.934 1.721 0.427 0.385 0.778 0.667 CB 1.169 Z: 10 10.359 1.913 0.590 0.607 0.778 0.444 CA 1.319 9 residues pruned to eliminate duplicates Z: 6 3.947 1.332 0.357 0.503 1.000 0.600 CA 0.973 Z: 7 3.930 1.372 0.708 0.469 0.833 0.500 N 0.848 7 residues pruned to eliminate duplicates Z: 8 2.417 1.385 0.645 0.214 0.571 0.286 CB 0.983 Z: 32 30.515 1.926 0.829 0.667 0.903 0.742 CA 1.476 29 residues pruned to eliminate duplicates Z: 26 18.737 1.905 0.530 0.704 0.960 0.680 CA 1.113 26 residues pruned to eliminate duplicates Z: 19 7.496 1.772 0.412 0.375 0.722 0.444 CB 1.119 19 residues pruned to eliminate duplicates Z: 10 6.236 1.744 0.413 0.370 0.889 0.667 CB 1.091 10 residues pruned to eliminate duplicates Z: 16 7.984 1.675 0.437 0.504 0.933 0.667 CB 0.914 16 residues pruned to eliminate duplicates Z: 6 12.578 1.874 1.125 0.664 1.000 0.800 CB 1.214 Z: 21 40.802 2.039 1.283 0.938 1.000 0.400 CB 1.363 21 residues pruned to eliminate duplicates Z: 12 6.281 1.485 0.855 0.365 0.818 0.455 CA 0.971 12 residues pruned to eliminate duplicates Z: 20 31.102 1.915 0.808 0.921 1.000 0.737 CB 1.451 20 residues pruned to eliminate duplicates Z: 7 5.063 1.451 0.379 0.503 1.000 0.333 N 1.030 Z: 6 2.692 1.549 0.229 0.479 0.800 0.400 CB 0.808 6 residues pruned to eliminate duplicates Z: 10 8.164 1.693 0.239 0.506 1.000 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 23 15.843 1.907 0.860 0.304 0.864 0.500 CB 1.371 24 residues pruned to eliminate duplicates Z: 11 6.225 1.570 0.462 0.366 0.900 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 15 5.838 1.447 0.409 0.388 1.000 0.643 CB 0.862 15 residues pruned to eliminate duplicates Z: 23 23.150 1.857 0.555 0.880 1.000 0.727 CB 1.239 23 residues pruned to eliminate duplicates Z: 11 5.551 1.556 0.517 0.451 1.000 0.600 CB 0.782 Z: 12 9.774 1.934 0.749 0.431 0.818 0.455 CB 1.144 12 residues pruned to eliminate duplicates Z: 14 6.547 1.517 0.383 0.384 0.846 0.462 CB 1.157 Z: 11 10.891 1.916 0.581 0.445 0.900 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 7 6.697 1.713 0.480 0.778 1.000 1.000 CB 0.844 6 residues pruned to eliminate duplicates Z: 7 15.494 2.014 0.656 0.743 1.000 0.667 CB 1.526 7 residues pruned to eliminate duplicates Z: 10 7.551 1.624 0.832 0.359 0.778 0.667 CB 1.266 6 residues pruned to eliminate duplicates Z: 6 4.001 1.642 0.143 0.620 0.800 0.600 CB 1.064 Z: 16 8.696 1.589 0.289 0.406 1.000 0.533 CB 1.210 13 residues pruned to eliminate duplicates Z: 8 10.020 1.638 0.564 0.730 1.000 0.714 N 1.202 Z: 8 3.171 1.548 0.424 0.165 0.714 0.429 N 1.144 3 residues pruned to eliminate duplicates Z: 29 14.846 1.601 0.556 0.515 0.893 0.750 CB 1.243 30 residues pruned to eliminate duplicates Z: 33 10.437 1.668 0.722 0.217 0.812 0.469 CB 1.103 53 residues pruned to eliminate duplicates Z: 25 14.040 1.787 0.672 0.457 0.833 0.375 CB 1.203 30 residues pruned to eliminate duplicates Z: 15 7.747 1.707 0.995 0.321 0.786 0.500 CB 0.942 15 residues pruned to eliminate duplicates Z: 9 5.601 1.391 0.684 0.426 0.875 0.500 CA 1.044 4 residues pruned to eliminate duplicates Z: 7 11.411 1.617 1.267 0.801 0.833 0.667 CA 1.173 7 residues pruned to eliminate duplicates Z: 8 11.834 1.668 0.663 0.900 1.000 1.000 CA 1.152 8 residues pruned to eliminate duplicates Z: 9 9.665 1.828 0.714 0.593 0.875 0.625 CB 1.140 8 residues pruned to eliminate duplicates Z: 11 8.237 1.540 0.508 0.561 0.900 0.700 C 1.174 8 residues pruned to eliminate duplicates Z: 8 2.954 1.342 0.190 0.292 0.857 0.429 C 1.030 Z: 20 17.062 1.741 0.665 0.859 0.947 0.474 CA 1.049 20 residues pruned to eliminate duplicates Z: 41 27.520 1.894 0.891 0.574 0.900 0.525 CB 1.257 38 residues pruned to eliminate duplicates Z: 15 9.689 1.691 0.648 0.479 0.857 0.571 CB 1.108 15 residues pruned to eliminate duplicates Z: 12 4.752 1.572 0.185 0.369 0.818 0.455 CB 1.081 Z: 6 5.622 1.525 0.621 0.522 0.800 0.600 CB 1.243 Z: 23 20.072 1.950 0.520 0.549 0.909 0.682 CA 1.514 23 residues pruned to eliminate duplicates Z: 18 12.597 1.808 0.484 0.452 0.941 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 9 14.640 1.754 0.905 0.893 1.000 0.875 CB 1.112 9 residues pruned to eliminate duplicates Z: 8 8.127 1.660 0.423 0.719 1.000 0.857 CA 1.067 4 residues pruned to eliminate duplicates Z: 11 4.972 1.415 0.466 0.393 0.800 0.500 CB 1.060 11 residues pruned to eliminate duplicates Z: 6 4.602 1.412 0.908 0.495 0.800 0.800 N 0.960 Z: 9 6.009 1.763 -0.077 0.502 1.000 0.750 CA 1.303 9 residues pruned to eliminate duplicates Z: 8 6.403 1.650 0.393 0.510 0.857 0.714 CB 1.215 8 residues pruned to eliminate duplicates Z: 24 9.220 1.754 0.549 0.413 0.826 0.478 CB 0.938 24 residues pruned to eliminate duplicates Z: 15 5.848 1.556 0.433 0.435 1.000 0.571 CB 0.750 15 residues pruned to eliminate duplicates Z: 20 34.027 1.987 1.073 0.881 1.000 0.579 CB 1.373 20 residues pruned to eliminate duplicates Z: 12 6.421 1.659 0.445 0.479 0.727 0.455 CB 1.135 12 residues pruned to eliminate duplicates Z: 10 12.080 1.782 0.840 0.526 1.000 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 8 5.152 1.403 0.359 0.565 0.857 0.714 N 1.118 7 residues pruned to eliminate duplicates Z: 27 25.068 1.974 0.925 0.472 0.962 0.615 CB 1.385 32 residues pruned to eliminate duplicates Z: 31 12.354 1.699 0.501 0.493 0.933 0.567 CB 0.954 31 residues pruned to eliminate duplicates Z: 9 9.717 1.463 0.606 0.819 1.000 0.625 CB 1.109 10 residues pruned to eliminate duplicates Z: 8 5.457 1.716 0.198 0.464 0.857 0.429 CB 1.214 8 residues pruned to eliminate duplicates Z: 19 4.788 1.503 0.222 0.266 0.778 0.500 CB 1.032 19 residues pruned to eliminate duplicates Z: 13 6.001 1.465 0.389 0.460 0.917 0.667 CB 0.968 Z: 13 10.337 1.524 0.498 0.842 1.000 0.833 CB 0.974 13 residues pruned to eliminate duplicates Z: 8 7.532 1.479 0.944 0.451 0.857 0.571 CB 1.215 8 residues pruned to eliminate duplicates Z: 10 11.814 1.815 0.376 0.557 1.000 0.778 CA 1.491 10 residues pruned to eliminate duplicates Z: 8 10.157 1.609 0.551 0.813 1.000 0.571 CB 1.172 8 residues pruned to eliminate duplicates Z: 10 5.996 1.914 0.503 0.335 0.778 0.556 CB 1.070 10 residues pruned to eliminate duplicates Z: 9 5.822 1.414 0.689 0.393 0.875 0.500 CA 1.102 Z: 17 5.981 1.591 0.403 0.308 0.875 0.438 CB 0.948 17 residues pruned to eliminate duplicates Z: 13 5.066 1.362 0.645 0.316 0.833 0.500 CB 0.960 13 residues pruned to eliminate duplicates Z: 8 3.125 1.365 0.154 0.526 0.714 0.571 CB 1.023 Z: 6 2.213 1.444 -0.003 0.415 0.600 0.600 CA 1.252 5 residues pruned to eliminate duplicates Z: 6 5.185 1.691 0.265 0.654 0.800 0.400 CA 1.174 Z: 19 15.469 1.774 0.578 0.871 0.944 0.667 CA 1.006 19 residues pruned to eliminate duplicates Z: 9 6.456 1.427 0.709 0.460 0.875 0.500 CB 1.114 7 residues pruned to eliminate duplicates Z: 11 5.431 1.745 0.469 0.386 0.900 0.800 CB 0.840 11 residues pruned to eliminate duplicates Z: 18 22.832 2.055 0.622 0.911 0.941 0.765 CB 1.251 18 residues pruned to eliminate duplicates Z: 9 4.693 1.359 0.629 0.500 0.875 0.625 CA 0.856 Z: 14 7.151 1.680 0.578 0.352 0.923 0.538 CB 0.952 14 residues pruned to eliminate duplicates Z: 11 4.932 1.600 0.688 0.348 0.700 0.600 CB 0.973 11 residues pruned to eliminate duplicates Z: 8 3.875 1.355 0.398 0.422 0.857 0.429 CB 0.978 Z: 8 6.073 1.662 0.454 0.580 0.857 0.714 CB 1.026 Z: 10 10.077 1.577 0.624 0.905 1.000 1.000 CA 0.934 10 residues pruned to eliminate duplicates Z: 12 10.594 1.583 0.530 0.717 1.000 0.636 CB 1.084 Z: 48 31.207 1.959 0.840 0.499 0.936 0.596 CB 1.350 62 residues pruned to eliminate duplicates Z: 13 13.361 1.767 0.659 0.549 1.000 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 12 7.891 1.685 0.570 0.400 0.909 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 9 2.548 1.436 0.648 0.256 0.625 0.375 CA 0.805 Z: 7 2.691 1.378 0.368 0.413 0.667 0.500 CB 0.957 Z: 11 15.290 1.942 1.027 0.494 0.900 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 11 6.141 1.543 0.610 0.465 0.700 0.600 CB 1.158 10 residues pruned to eliminate duplicates Z: 6 3.302 1.520 0.600 0.432 0.800 0.800 CA 0.815 5 residues pruned to eliminate duplicates Z: 24 12.628 1.709 0.489 0.482 0.870 0.565 CB 1.213 24 residues pruned to eliminate duplicates Z: 19 6.621 1.606 0.400 0.384 0.833 0.389 CB 0.943 19 residues pruned to eliminate duplicates Z: 7 9.608 1.672 1.140 0.619 0.833 0.833 CA 1.176 8 residues pruned to eliminate duplicates Z: 14 30.005 2.085 0.881 0.895 1.000 0.615 CB 1.521 14 residues pruned to eliminate duplicates 6 1.191 1.219 -0.027 0.333 0.800 0.400 N 0.674 ? Z: 8 9.744 1.612 1.065 0.616 1.000 0.571 CB 0.992 6 residues pruned to eliminate duplicates Z: 8 2.143 1.570 0.306 0.211 0.571 0.429 N 0.973 Z: 11 12.008 1.778 0.582 0.534 0.900 0.900 CB 1.450 11 residues pruned to eliminate duplicates Z: 15 5.477 1.652 0.328 0.446 0.714 0.571 CB 0.987 15 residues pruned to eliminate duplicates Z: 19 10.992 1.613 0.484 0.501 0.889 0.722 CB 1.216 19 residues pruned to eliminate duplicates Z: 20 37.984 1.977 1.268 0.941 1.000 0.474 CB 1.348 20 residues pruned to eliminate duplicates Z: 10 13.351 1.791 1.347 0.712 0.889 0.778 CB 0.983 10 residues pruned to eliminate duplicates Z: 10 5.912 1.501 0.780 0.396 0.778 0.444 CB 1.058 10 residues pruned to eliminate duplicates Z: 9 5.660 1.595 0.413 0.566 0.875 0.625 CB 0.952 6 residues pruned to eliminate duplicates Z: 14 13.498 1.751 0.836 0.548 0.846 0.692 CA 1.313 13 residues pruned to eliminate duplicates Z: 9 7.731 1.729 0.794 0.607 1.000 0.750 CB 0.796 9 residues pruned to eliminate duplicates Z: 14 10.721 1.547 0.701 0.646 1.000 0.692 CB 0.986 14 residues pruned to eliminate duplicates 6 1.784 1.591 0.090 0.519 0.800 0.800 CB 0.564 ? Z: 13 12.831 1.824 0.942 0.512 0.833 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 6 3.577 1.591 0.336 0.576 0.600 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 7 2.533 1.420 0.427 0.328 0.667 0.333 CB 0.924 Z: 29 24.883 1.847 0.665 0.702 1.000 0.857 CA 1.272 29 residues pruned to eliminate duplicates Z: 20 15.223 1.866 0.572 0.518 0.842 0.579 CB 1.389 20 residues pruned to eliminate duplicates Z: 10 9.476 1.749 0.675 0.429 0.889 0.556 CB 1.306 28 residues pruned to eliminate duplicates Z: 18 25.502 1.878 0.979 0.886 1.000 0.706 CB 1.201 18 residues pruned to eliminate duplicates Z: 6 3.155 1.371 0.601 0.449 0.800 0.400 CB 0.847 5 residues pruned to eliminate duplicates Z: 10 11.468 1.618 0.608 0.896 1.000 0.889 CA 1.053 Z: 9 13.536 1.687 1.037 0.833 0.875 0.750 CA 1.194 9 residues pruned to eliminate duplicates Z: 17 7.942 1.738 0.408 0.323 0.875 0.625 CB 1.128 8 residues pruned to eliminate duplicates Z: 19 8.688 1.808 0.626 0.340 0.667 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 10 3.211 1.595 0.370 0.386 0.667 0.444 CB 0.830 6 residues pruned to eliminate duplicates Z: 13 7.185 1.663 0.437 0.507 0.833 0.583 CB 1.035 Z: 9 9.502 1.673 0.543 0.538 1.000 0.625 CB 1.253 10 residues pruned to eliminate duplicates Z: 11 7.384 1.678 0.200 0.889 1.000 1.000 CB 0.834 11 residues pruned to eliminate duplicates Z: 10 4.172 1.545 0.092 0.575 1.000 0.778 CA 0.767 10 residues pruned to eliminate duplicates Z: 20 10.366 1.705 0.565 0.335 0.895 0.421 CB 1.192 26 residues pruned to eliminate duplicates Z: 6 5.685 1.591 0.651 0.562 0.800 0.800 N 1.139 Z: 9 3.193 1.344 0.460 0.311 0.875 0.375 CA 0.811 Z: 7 4.276 1.394 0.253 0.720 1.000 0.500 CA 0.819 Z: 10 6.290 1.698 -0.093 0.544 0.889 0.889 CB 1.468 10 residues pruned to eliminate duplicates Z: 10 3.274 1.344 0.340 0.223 0.778 0.333 CA 1.077 Z: 33 25.880 1.888 0.702 0.623 0.906 0.688 CB 1.399 33 residues pruned to eliminate duplicates Z: 10 11.100 1.642 0.465 0.666 1.000 0.889 CB 1.318 10 residues pruned to eliminate duplicates Z: 18 9.286 1.734 0.521 0.369 0.824 0.588 CB 1.193 18 residues pruned to eliminate duplicates Z: 11 12.636 1.660 0.777 0.876 1.000 0.700 CB 0.985 11 residues pruned to eliminate duplicates Z: 9 6.725 1.906 0.718 0.293 0.875 0.375 CB 1.046 9 residues pruned to eliminate duplicates Z: 18 8.157 1.781 0.716 0.398 0.824 0.353 CB 0.875 18 residues pruned to eliminate duplicates Z: 15 8.221 1.564 0.432 0.423 1.000 0.571 CB 1.063 15 residues pruned to eliminate duplicates Z: 9 15.340 1.888 0.635 0.662 1.000 0.625 CA 1.512 9 residues pruned to eliminate duplicates Z: 11 9.991 1.665 0.474 0.644 0.900 0.800 CB 1.251 18 residues pruned to eliminate duplicates Z: 8 2.248 1.460 0.044 0.320 1.000 0.714 CB 0.680 Z: 14 4.701 1.643 0.400 0.366 0.769 0.692 CB 0.851 13 residues pruned to eliminate duplicates Z: 9 5.772 1.669 0.098 0.595 1.000 1.000 CB 1.016 9 residues pruned to eliminate duplicates Z: 20 9.283 1.625 0.452 0.395 0.947 0.526 CB 1.064 17 residues pruned to eliminate duplicates Z: 14 4.666 1.670 0.390 0.359 0.846 0.538 CB 0.767 14 residues pruned to eliminate duplicates Z: 43 31.965 1.915 0.614 0.649 0.976 0.833 CB 1.423 43 residues pruned to eliminate duplicates Z: 8 6.321 1.755 0.671 0.588 0.714 0.571 CB 1.048 8 residues pruned to eliminate duplicates Z: 10 13.534 1.553 1.039 0.872 1.000 0.667 CB 1.039 8 residues pruned to eliminate duplicates Z: 15 6.971 1.768 0.420 0.381 0.786 0.429 CB 1.072 11 residues pruned to eliminate duplicates Z: 7 8.930 1.713 0.508 0.874 0.833 0.333 CA 1.233 7 residues pruned to eliminate duplicates Z: 15 10.756 1.775 0.379 0.579 0.929 0.857 CA 1.172 Z: 10 4.947 1.671 0.301 0.390 0.778 0.556 CB 1.095 Z: 17 12.327 1.691 0.602 0.568 1.000 0.562 CB 1.065 11 residues pruned to eliminate duplicates Z: 34 27.628 1.879 0.645 0.680 0.909 0.788 CA 1.450 34 residues pruned to eliminate duplicates Z: 7 13.736 1.852 0.571 0.804 1.000 1.000 O 1.478 7 residues pruned to eliminate duplicates Z: 19 25.102 2.016 0.792 0.852 0.944 0.556 CB 1.283 19 residues pruned to eliminate duplicates Z: 10 11.707 1.714 0.484 0.657 1.000 0.667 CA 1.326 10 residues pruned to eliminate duplicates Z: 6 2.470 1.359 -0.044 0.578 1.000 0.600 N 0.789 Z: 8 11.386 1.948 1.234 0.626 0.857 0.857 CB 1.025 8 residues pruned to eliminate duplicates 6 1.704 1.440 -0.077 0.544 0.800 0.600 CB 0.686 ? Z: 15 14.820 1.952 0.814 0.516 0.786 0.786 CA 1.401 15 residues pruned to eliminate duplicates Z: 12 8.479 1.657 0.634 0.499 1.000 0.545 CB 0.946 12 residues pruned to eliminate duplicates 7 1.632 1.317 0.472 0.273 0.500 0.333 CB 0.890 ? Z: 12 4.196 1.668 0.506 0.326 0.636 0.455 CB 0.958 12 residues pruned to eliminate duplicates Z: 14 8.899 1.789 0.686 0.422 0.769 0.538 CB 1.154 14 residues pruned to eliminate duplicates Z: 10 4.057 1.469 0.714 0.396 0.889 0.556 CB 0.674 10 residues pruned to eliminate duplicates Z: 17 7.257 1.578 0.376 0.318 0.875 0.500 CB 1.167 18 residues pruned to eliminate duplicates 7 1.926 1.387 0.171 0.330 0.667 0.500 CB 0.875 ? Z: 10 4.589 1.509 0.554 0.275 1.000 0.556 CB 0.841 9 residues pruned to eliminate duplicates Z: 17 10.367 1.668 0.682 0.409 0.938 0.750 CB 1.083 17 residues pruned to eliminate duplicates Z: 22 31.201 1.945 0.942 0.921 0.952 0.667 CB 1.332 22 residues pruned to eliminate duplicates Z: 19 8.719 1.762 0.599 0.427 0.778 0.333 CB 1.012 19 residues pruned to eliminate duplicates Z: 14 8.250 1.708 0.377 0.511 1.000 0.538 CB 0.962 14 residues pruned to eliminate duplicates Z: 6 2.929 1.445 1.081 0.483 0.800 0.800 CB 0.554 6 residues pruned to eliminate duplicates Z: 19 5.178 1.476 0.232 0.338 0.722 0.611 CB 1.109 14 residues pruned to eliminate duplicates Z: 19 16.859 1.709 0.804 0.624 0.944 0.722 CA 1.214 19 residues pruned to eliminate duplicates Z: 6 4.179 1.508 0.130 0.582 1.000 0.800 CB 1.014 4 residues pruned to eliminate duplicates Z: 9 8.278 1.465 0.777 0.883 1.000 0.875 CA 0.813 9 residues pruned to eliminate duplicates Z: 6 3.009 1.582 0.777 0.380 0.600 0.600 CB 0.906 6 residues pruned to eliminate duplicates Z: 16 11.169 1.595 0.666 0.348 1.000 0.733 CB 1.279 16 residues pruned to eliminate duplicates Z: 8 7.504 1.735 0.021 0.676 1.000 0.714 CA 1.363 9 residues pruned to eliminate duplicates Z: 13 13.248 1.740 0.647 0.499 0.917 0.667 CA 1.458 13 residues pruned to eliminate duplicates Z: 21 9.587 1.579 0.447 0.420 0.900 0.500 CB 1.133 13 residues pruned to eliminate duplicates Z: 11 10.711 1.648 0.484 0.904 1.000 0.900 CB 0.987 11 residues pruned to eliminate duplicates Z: 14 4.091 1.374 0.343 0.352 0.846 0.538 CB 0.853 Z: 6 5.135 1.597 0.696 0.700 1.000 0.600 CB 0.706 Z: 10 6.001 1.559 0.891 0.436 0.778 0.556 CB 0.931 10 residues pruned to eliminate duplicates Z: 10 5.560 1.742 0.399 0.426 0.778 0.333 CB 1.056 10 residues pruned to eliminate duplicates Z: 10 7.453 1.582 0.652 0.755 0.889 0.444 CA 0.852 10 residues pruned to eliminate duplicates Z: 17 7.908 1.462 0.483 0.476 0.875 0.625 CA 1.068 24 residues pruned to eliminate duplicates Z: 7 4.031 1.472 -0.039 0.585 1.000 0.833 CB 1.071 8 residues pruned to eliminate duplicates Z: 6 2.859 1.520 0.515 0.450 0.600 0.400 CB 0.974 Z: 8 2.324 1.382 0.034 0.360 0.857 0.429 CA 0.834 6 residues pruned to eliminate duplicates Z: 14 8.238 1.517 0.430 0.494 1.000 0.846 CB 1.059 14 residues pruned to eliminate duplicates Z: 6 2.328 1.567 0.422 0.305 0.600 0.600 CB 0.967 Z: 6 3.064 1.203 0.284 0.434 1.000 0.600 N 0.950 Z: 7 2.768 1.505 -0.221 0.553 1.000 0.667 CB 0.915 7 residues pruned to eliminate duplicates 7 1.857 1.533 0.099 0.231 0.667 0.333 CA 0.924 ? Z: 6 4.010 1.401 0.817 0.386 0.800 0.200 CA 0.993 Z: 7 6.207 1.632 0.472 0.498 1.000 0.667 CB 1.056 Z: 6 7.703 1.602 0.401 0.809 1.000 0.600 CA 1.172 Z: 18 15.265 1.848 1.011 0.440 0.765 0.706 CA 1.386 18 residues pruned to eliminate duplicates Z: 7 4.561 1.635 0.583 0.533 0.667 0.333 CB 1.045 Z: 17 6.964 1.560 0.368 0.328 0.875 0.562 CB 1.126 17 residues pruned to eliminate duplicates Z: 7 3.986 1.462 0.307 0.482 1.000 0.500 CB 0.867 7 1.602 1.265 0.130 0.440 0.667 0.500 CA 0.730 ? Z: 7 3.644 1.519 0.485 0.369 0.667 0.667 CB 1.139 Z: 7 2.554 1.593 0.242 0.378 0.667 0.500 C 0.900 6 1.989 1.461 0.549 0.356 0.400 0.400 CA 1.148 ? Z: 18 6.917 1.621 0.512 0.361 0.765 0.471 CB 1.040 18 residues pruned to eliminate duplicates Z: 20 13.023 1.875 0.850 0.377 0.947 0.632 CB 1.037 20 residues pruned to eliminate duplicates 6 1.775 1.317 0.197 0.300 0.600 0.400 CB 1.050 ? Z: 7 9.639 1.780 0.321 0.704 1.000 0.833 CA 1.390 14 residues pruned to eliminate duplicates 8 1.668 1.267 0.251 0.350 0.714 0.714 CB 0.656 ? Z: 8 4.586 1.728 0.137 0.436 0.857 0.429 CB 1.099 Z: 9 3.820 1.497 0.338 0.267 1.000 0.500 CB 0.879 9 residues pruned to eliminate duplicates Z: 7 2.866 1.204 0.585 0.342 0.833 0.333 CA 0.874 6 1.780 1.411 -0.103 0.570 0.800 0.600 CB 0.735 ? Z: 12 9.799 1.836 0.826 0.312 0.818 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 7 10.848 1.830 0.686 0.634 1.000 0.500 CB 1.266 6 residues pruned to eliminate duplicates Z: 21 10.648 1.590 0.644 0.405 0.950 0.600 CA 1.060 30 residues pruned to eliminate duplicates Z: 6 2.768 1.653 -0.042 0.425 1.000 0.600 CB 0.846 6 residues pruned to eliminate duplicates Z: 9 5.135 1.492 0.263 0.354 1.000 0.625 CB 1.128 8 residues pruned to eliminate duplicates Z: 8 6.025 1.418 0.373 0.872 0.857 0.714 CA 0.995 8 residues pruned to eliminate duplicates Z: 11 6.196 1.601 0.639 0.395 1.000 0.400 CB 0.834 11 residues pruned to eliminate duplicates Z: 6 4.228 1.758 0.265 0.299 1.000 1.000 CA 1.064 6 residues pruned to eliminate duplicates Z: 6 5.949 1.632 0.659 0.646 0.800 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 7 3.002 1.209 1.022 0.480 1.000 0.500 CB 0.512 Z: 17 12.925 1.662 0.460 0.577 0.938 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 19 11.924 1.661 0.525 0.565 0.889 0.556 CB 1.172 19 residues pruned to eliminate duplicates Z: 7 6.974 1.817 0.439 0.525 0.833 0.833 CB 1.275 7 residues pruned to eliminate duplicates Z: 8 4.756 1.632 0.464 0.541 0.714 0.714 CB 1.012 5 residues pruned to eliminate duplicates Z: 13 3.261 1.344 0.596 0.127 0.667 0.250 CB 1.050 Z: 26 15.982 1.733 0.989 0.365 0.880 0.520 CB 1.219 26 residues pruned to eliminate duplicates Z: 12 8.302 1.502 0.630 0.580 0.909 0.727 CA 1.041 12 residues pruned to eliminate duplicates Z: 6 2.753 1.281 0.366 0.471 0.800 0.800 N 0.906 7 1.492 1.515 -0.136 0.177 0.833 0.333 CA 0.826 ? Z: 6 3.249 1.566 0.004 0.417 0.800 0.600 CB 1.260 Z: 13 5.527 1.630 0.453 0.323 0.833 0.500 CB 0.981 13 residues pruned to eliminate duplicates Z: 8 7.424 1.660 0.671 0.426 0.857 0.571 CA 1.275 8 residues pruned to eliminate duplicates Z: 14 4.889 1.548 0.475 0.408 0.923 0.462 CB 0.709 14 residues pruned to eliminate duplicates Z: 16 13.139 2.031 0.859 0.308 0.867 0.400 CB 1.283 16 residues pruned to eliminate duplicates Z: 9 6.413 1.647 0.234 0.502 1.000 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 27 21.890 1.994 0.816 0.463 0.923 0.500 CB 1.333 27 residues pruned to eliminate duplicates Z: 8 9.983 1.693 1.023 0.466 1.000 0.714 CB 1.140 8 residues pruned to eliminate duplicates Z: 20 7.493 1.709 0.358 0.240 0.789 0.368 CA 1.267 20 residues pruned to eliminate duplicates Z: 9 3.127 1.545 0.012 0.375 0.750 0.375 CB 1.078 9 residues pruned to eliminate duplicates 6 1.839 1.462 -0.258 0.432 1.000 0.800 CB 0.813 ? Z: 14 7.809 1.612 0.516 0.570 0.846 0.538 CB 0.980 14 residues pruned to eliminate duplicates 6 1.955 1.218 0.392 0.299 0.800 0.400 CB 0.806 ? Z: 6 2.708 1.359 0.003 0.352 1.000 0.400 O 1.042 Z: 9 11.310 1.767 0.461 0.695 1.000 0.750 CA 1.296 9 residues pruned to eliminate duplicates 8 1.625 1.561 0.279 0.317 0.571 0.429 CB 0.659 ? Z: 6 3.528 1.483 0.375 0.455 0.800 0.600 O 1.013 6 residues pruned to eliminate duplicates Z: 12 6.666 1.477 0.567 0.373 0.909 0.636 CB 1.094 12 residues pruned to eliminate duplicates Z: 7 2.926 1.190 0.401 0.377 0.833 0.667 N 0.980 Z: 20 8.097 1.568 0.515 0.414 0.947 0.632 CB 0.903 20 residues pruned to eliminate duplicates Z: 8 4.074 1.530 0.526 0.520 0.714 0.571 CB 0.906 8 residues pruned to eliminate duplicates Z: 6 8.875 1.496 0.953 0.837 1.000 1.000 CA 1.016 Z: 6 6.255 1.665 0.813 0.834 1.000 1.000 CB 0.695 Z: 6 2.653 1.481 0.265 0.628 0.800 0.600 CB 0.702 5 residues pruned to eliminate duplicates Z: 8 2.075 1.309 0.638 0.217 0.714 0.286 CA 0.715 8 residues pruned to eliminate duplicates Z: 12 7.383 1.655 0.727 0.340 0.727 0.545 CB 1.276 13 residues pruned to eliminate duplicates Z: 17 15.274 2.027 0.916 0.369 0.938 0.625 CB 1.207 17 residues pruned to eliminate duplicates Z: 9 7.587 1.578 0.749 0.540 0.750 0.500 CB 1.247 Z: 12 6.276 1.414 0.515 0.406 0.909 0.545 CB 1.073 7 residues pruned to eliminate duplicates Z: 9 3.870 1.695 0.575 0.404 0.750 0.625 CB 0.756 8 residues pruned to eliminate duplicates Z: 7 3.482 1.591 0.867 0.083 0.833 0.667 CB 0.985 Z: 6 3.375 1.588 0.604 0.485 0.800 0.800 CB 0.752 Z: 9 5.393 1.475 0.790 0.389 0.750 0.750 CA 1.083 9 residues pruned to eliminate duplicates Z: 6 4.645 1.742 0.372 0.562 0.800 0.800 CB 1.023 6 residues pruned to eliminate duplicates Z: 6 3.394 1.375 0.611 0.448 1.000 0.600 CB 0.723 Z: 8 3.911 1.482 0.270 0.541 0.857 0.714 CB 0.880 Z: 16 6.382 1.695 0.403 0.427 0.600 0.267 CB 1.246 16 residues pruned to eliminate duplicates Z: 11 10.257 1.641 0.360 0.911 1.000 0.900 CB 1.030 11 residues pruned to eliminate duplicates Z: 16 24.278 1.862 0.921 0.912 1.000 0.867 CA 1.241 19 residues pruned to eliminate duplicates Z: 11 7.363 1.657 0.501 0.579 1.000 0.700 CA 0.867 10 residues pruned to eliminate duplicates Z: 10 12.240 1.676 0.650 0.836 1.000 0.667 CA 1.104 10 residues pruned to eliminate duplicates Z: 7 3.126 1.357 0.624 0.358 0.833 0.333 CB 0.810 Z: 8 3.711 1.345 -0.002 0.450 1.000 0.714 CB 1.100 Z: 6 3.011 1.497 1.083 0.392 0.400 0.400 CA 1.210 6 residues pruned to eliminate duplicates Z: 10 3.443 1.386 0.180 0.290 0.889 0.333 N 0.998 Z: 7 3.638 1.467 0.483 0.405 0.667 0.500 C 1.132 Z: 15 5.765 1.483 0.490 0.335 0.786 0.571 CB 1.063 15 residues pruned to eliminate duplicates Z: 10 5.359 1.470 0.412 0.513 0.889 0.556 CB 0.956 9 residues pruned to eliminate duplicates Z: 12 5.047 1.550 0.435 0.332 0.818 0.636 CB 1.005 Z: 13 7.989 1.723 0.582 0.392 0.833 0.417 CA 1.139 13 residues pruned to eliminate duplicates Z: 13 6.689 1.642 0.627 0.393 0.750 0.500 CB 1.079 13 residues pruned to eliminate duplicates Z: 19 8.058 1.612 0.559 0.424 0.889 0.667 CB 0.920 22 residues pruned to eliminate duplicates Z: 8 4.761 1.615 0.661 0.464 0.857 0.714 CB 0.812 Z: 6 2.243 1.346 0.259 0.527 0.800 0.600 CA 0.720 Z: 6 5.813 1.562 0.443 0.791 1.000 0.800 CA 0.893 Z: 6 3.463 1.118 0.610 0.581 1.000 0.600 CB 0.796 Z: 6 4.292 1.277 0.730 0.773 0.800 0.600 CA 0.853 6 residues pruned to eliminate duplicates Z: 6 6.156 1.616 0.556 0.716 0.800 0.800 CB 1.126 8 residues pruned to eliminate duplicates Z: 6 2.776 1.465 0.704 0.232 0.800 0.600 CB 0.849 6 residues pruned to eliminate duplicates 10 1.777 1.393 0.558 0.165 0.778 0.556 CB 0.528 ? Z: 8 5.619 1.647 0.326 0.428 1.000 0.571 CB 1.047 9 residues pruned to eliminate duplicates Z: 6 2.694 1.300 0.480 0.710 0.800 0.400 C 0.647 Z: 30 9.665 1.668 0.301 0.396 0.897 0.517 CB 1.030 30 residues pruned to eliminate duplicates Z: 10 4.045 1.215 0.518 0.502 0.889 0.444 CA 0.821 Z: 21 12.455 1.898 0.796 0.322 0.800 0.600 CB 1.243 21 residues pruned to eliminate duplicates Z: 30 21.498 1.820 0.751 0.487 0.966 0.552 CB 1.315 42 residues pruned to eliminate duplicates Z: 7 3.544 1.664 0.381 0.369 0.833 0.333 CB 0.870 7 residues pruned to eliminate duplicates Z: 8 9.361 1.743 0.630 0.478 1.000 0.714 CA 1.274 8 residues pruned to eliminate duplicates Z: 15 4.552 1.720 0.403 0.230 0.786 0.429 CB 0.879 15 residues pruned to eliminate duplicates Z: 13 7.328 1.553 0.608 0.410 0.917 0.500 CB 1.016 25 residues pruned to eliminate duplicates Z: 28 16.227 1.841 0.647 0.448 0.926 0.556 CB 1.173 42 residues pruned to eliminate duplicates 6 1.583 1.305 0.609 0.546 0.800 0.400 CB 0.403 ? Z: 15 19.793 1.895 0.830 0.878 0.929 0.571 CB 1.192 15 residues pruned to eliminate duplicates Z: 8 3.639 1.448 0.314 0.284 0.857 0.429 C 1.077 5 residues pruned to eliminate duplicates Z: 6 2.751 1.496 0.732 0.506 0.600 0.200 CA 0.787 Z: 9 4.446 1.580 0.547 0.495 0.875 0.750 CB 0.739 9 residues pruned to eliminate duplicates Z: 17 9.676 1.758 0.443 0.440 0.938 0.500 CB 1.083 27 residues pruned to eliminate duplicates Z: 6 5.379 1.619 0.036 0.694 1.000 0.800 CB 1.201 Z: 11 9.080 1.910 0.651 0.389 0.900 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 23 11.392 1.614 0.554 0.456 0.864 0.591 CB 1.172 23 residues pruned to eliminate duplicates Z: 10 4.324 1.599 0.377 0.397 0.778 0.556 CB 0.939 10 residues pruned to eliminate duplicates Z: 6 2.067 1.333 0.234 0.467 1.000 0.600 CB 0.581 Z: 6 2.146 1.476 0.371 0.453 0.600 0.600 CB 0.830 Z: 10 3.777 1.503 0.247 0.300 0.778 0.444 CA 1.079 10 residues pruned to eliminate duplicates Z: 10 6.738 1.511 0.738 0.566 0.889 0.667 CB 0.903 10 residues pruned to eliminate duplicates Z: 10 8.605 1.762 0.229 0.896 1.000 0.889 CB 0.948 11 residues pruned to eliminate duplicates Z: 9 3.450 1.295 0.401 0.392 0.875 0.500 C 0.861 Z: 6 3.908 1.504 0.220 0.643 0.800 0.800 O 1.041 Z: 12 4.868 1.656 0.311 0.365 0.818 0.364 CB 0.955 6 residues pruned to eliminate duplicates Z: 22 10.596 1.748 0.497 0.348 0.905 0.571 CB 1.151 22 residues pruned to eliminate duplicates Z: 8 4.698 1.645 0.397 0.276 0.857 0.714 CB 1.162 Z: 15 3.799 1.380 0.258 0.495 0.714 0.429 CB 0.823 6 residues pruned to eliminate duplicates Z: 17 11.251 1.635 0.817 0.543 0.875 0.750 CB 1.037 17 residues pruned to eliminate duplicates Z: 11 10.762 1.868 0.327 0.729 1.000 0.600 CA 1.117 11 residues pruned to eliminate duplicates Z: 9 4.127 1.305 0.810 0.132 0.875 0.500 CB 1.116 Z: 6 6.927 1.496 0.297 0.839 1.000 1.000 CA 1.192 6 residues pruned to eliminate duplicates Z: 10 5.402 1.463 0.681 0.520 0.889 0.667 CB 0.807 16 residues pruned to eliminate duplicates Z: 10 8.477 1.645 0.710 0.544 1.000 1.000 CB 0.962 11 residues pruned to eliminate duplicates Z: 12 7.364 1.903 0.687 0.406 0.636 0.545 CB 1.199 12 residues pruned to eliminate duplicates Z: 7 5.373 1.480 0.262 0.595 1.000 0.667 N 1.073 7 residues pruned to eliminate duplicates Z: 6 3.385 1.729 0.564 0.421 0.800 0.600 CB 0.760 11 residues pruned to eliminate duplicates Z: 9 9.009 1.650 0.659 0.465 0.875 0.500 C 1.378 Z: 23 14.830 1.711 0.636 0.491 0.955 0.682 CB 1.194 23 residues pruned to eliminate duplicates 7 1.250 1.182 0.174 0.414 0.833 0.667 CB 0.483 ? Z: 13 9.584 1.722 0.469 0.494 0.917 0.750 CA 1.200 14 residues pruned to eliminate duplicates 7 1.850 1.306 -0.182 0.376 0.833 0.333 N 0.969 ? Z: 8 6.579 1.642 0.971 0.380 1.000 0.714 CB 0.873 6 residues pruned to eliminate duplicates Z: 27 12.446 1.801 0.472 0.422 0.885 0.462 CB 1.129 45 residues pruned to eliminate duplicates Z: 14 7.674 1.731 0.296 0.466 1.000 0.615 CA 0.982 Z: 20 24.989 1.785 0.610 0.869 1.000 0.789 CB 1.457 20 residues pruned to eliminate duplicates Z: 19 21.129 1.898 0.593 0.635 1.000 0.778 CB 1.452 19 residues pruned to eliminate duplicates Z: 12 8.871 1.912 0.557 0.378 0.909 0.545 CB 1.126 12 residues pruned to eliminate duplicates Z: 7 5.310 1.547 0.500 0.553 0.833 0.667 CB 1.064 10 residues pruned to eliminate duplicates Z: 10 5.258 1.664 0.830 0.376 0.778 0.444 CB 0.844 11 residues pruned to eliminate duplicates Z: 21 19.835 1.648 0.766 0.867 0.950 0.550 CA 1.173 20 residues pruned to eliminate duplicates Z: 23 32.264 1.970 0.824 0.843 1.000 0.909 CB 1.425 23 residues pruned to eliminate duplicates Z: 19 6.894 1.592 0.361 0.260 0.833 0.556 CA 1.184 19 residues pruned to eliminate duplicates 6 1.963 1.628 -0.163 0.390 1.000 0.400 CB 0.723 ? Z: 9 2.140 1.462 0.188 0.226 0.750 0.750 CB 0.801 762 residues left after pruning, divided into chains as follows: A: 6 B: 21 C: 35 D: 31 E: 7 F: 7 G: 32 H: 6 I: 62 J: 29 K: 10 L: 10 M: 10 N: 12 O: 11 P: 25 Q: 9 R: 6 S: 38 T: 6 U: 8 V: 14 W: 30 X: 6 Y: 24 Z: 31 Z: 49 Z: 35 Z: 14 Z: 9 Z: 31 Z: 13 Z: 12 Z: 11 Z: 40 Z: 12 Z: 8 Z: 42 CC for partial structure against native data = 27.70 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.353, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.418, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.504, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.531, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.539, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.546, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.550, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.554, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.556, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6159 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1324 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 15.295 1.927 0.568 0.479 0.926 0.704 CB 1.074 B: 19 20.890 2.039 0.407 0.902 1.000 0.778 CB 1.224 C: 21 45.397 2.310 0.861 0.941 1.000 1.000 CB 1.639 D: 27 20.029 2.053 0.688 0.550 0.962 0.538 CB 1.123 E: 23 24.870 2.010 0.620 0.875 0.955 0.818 CB 1.240 19 residues pruned to eliminate duplicates F: 22 38.603 2.202 0.669 0.915 1.000 0.857 CB 1.620 22 residues pruned to eliminate duplicates G: 20 42.890 2.299 0.860 0.936 1.000 0.895 CB 1.602 20 residues pruned to eliminate duplicates H: 20 30.599 2.113 0.838 0.878 0.947 0.842 CB 1.385 22 residues pruned to eliminate duplicates I: 12 20.004 2.035 0.843 0.632 0.909 0.727 CB 1.563 J: 37 32.704 1.903 0.681 0.677 0.972 0.778 CB 1.489 21 residues pruned to eliminate duplicates K: 21 22.140 2.041 0.467 0.874 0.950 0.850 CB 1.266 26 residues pruned to eliminate duplicates L: 68 47.526 2.149 0.798 0.568 0.955 0.612 CB 1.473 48 residues pruned to eliminate duplicates M: 36 30.995 2.068 0.578 0.580 0.943 0.657 CB 1.578 29 residues pruned to eliminate duplicates N: 14 20.936 1.906 0.879 0.622 1.000 0.846 CB 1.445 12 residues pruned to eliminate duplicates O: 10 14.449 1.680 0.597 0.812 1.000 0.556 CB 1.368 P: 21 24.791 2.017 0.356 0.927 1.000 0.850 CB 1.421 Q: 10 15.148 2.210 0.888 0.452 0.889 0.556 CA 1.430 R: 21 38.450 2.247 0.676 0.946 1.000 0.950 CB 1.578 21 residues pruned to eliminate duplicates S: 20 32.240 2.126 0.642 0.886 1.000 0.895 CB 1.528 20 residues pruned to eliminate duplicates T: 22 44.420 2.212 0.914 0.923 1.000 0.952 CB 1.608 22 residues pruned to eliminate duplicates U: 26 17.149 1.968 0.576 0.466 0.960 0.680 CB 1.191 27 residues pruned to eliminate duplicates V: 21 31.086 2.067 0.761 0.919 1.000 0.800 CB 1.346 21 residues pruned to eliminate duplicates W: 10 12.246 1.701 0.422 0.834 1.000 0.556 CA 1.265 10 residues pruned to eliminate duplicates X: 23 31.248 1.990 0.630 0.933 1.000 0.864 CB 1.433 21 residues pruned to eliminate duplicates Y: 18 21.275 2.059 0.220 0.881 0.941 0.824 CB 1.581 18 residues pruned to eliminate duplicates Z: 12 26.892 2.425 0.519 0.912 0.909 0.818 CB 1.715 12 residues pruned to eliminate duplicates Z: 20 27.283 2.069 0.666 0.938 0.947 0.842 CA 1.333 Z: 22 24.835 1.974 0.520 0.899 0.905 0.714 CB 1.426 22 residues pruned to eliminate duplicates Z: 8 8.687 2.061 0.262 0.883 0.857 0.857 CB 1.065 8 residues pruned to eliminate duplicates Z: 9 20.882 2.281 0.297 0.885 1.000 0.875 CB 1.801 9 residues pruned to eliminate duplicates Z: 10 17.950 2.019 0.788 0.681 1.000 0.667 CB 1.404 11 residues pruned to eliminate duplicates Z: 22 31.835 1.994 0.688 0.904 1.000 0.857 CB 1.470 23 residues pruned to eliminate duplicates Z: 45 30.310 2.068 0.839 0.510 0.886 0.455 CB 1.341 45 residues pruned to eliminate duplicates Z: 21 25.690 1.986 0.522 0.893 1.000 0.900 CA 1.364 21 residues pruned to eliminate duplicates Z: 12 23.143 2.029 0.925 0.697 1.000 0.727 CB 1.493 12 residues pruned to eliminate duplicates Z: 16 23.836 2.212 0.320 0.947 1.000 1.000 CB 1.456 16 residues pruned to eliminate duplicates Z: 20 26.997 2.053 0.652 0.884 1.000 0.684 CB 1.320 20 residues pruned to eliminate duplicates Z: 12 10.153 1.998 0.772 0.452 0.818 0.455 CB 1.110 Z: 16 23.183 2.173 0.242 0.911 1.000 0.667 CB 1.572 16 residues pruned to eliminate duplicates Z: 21 40.986 2.094 1.011 0.944 1.000 0.750 CB 1.507 22 residues pruned to eliminate duplicates Z: 13 17.225 1.804 0.942 0.872 0.917 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 41 26.320 1.969 0.598 0.578 0.925 0.700 CA 1.326 20 residues pruned to eliminate duplicates Z: 14 9.151 1.802 0.245 0.500 0.846 0.385 CA 1.337 Z: 22 10.924 1.918 0.486 0.363 0.952 0.571 CB 1.018 22 residues pruned to eliminate duplicates Z: 22 32.986 2.013 0.765 0.904 1.000 0.810 CB 1.443 22 residues pruned to eliminate duplicates Z: 21 28.789 2.052 0.633 0.898 1.000 0.800 CB 1.375 21 residues pruned to eliminate duplicates Z: 33 15.841 1.904 0.598 0.404 0.844 0.594 CB 1.206 Z: 29 16.358 2.037 0.845 0.250 0.821 0.429 CB 1.336 29 residues pruned to eliminate duplicates Z: 26 19.403 1.980 0.542 0.562 0.920 0.720 CB 1.301 27 residues pruned to eliminate duplicates Z: 19 10.873 1.930 0.506 0.386 0.778 0.611 CB 1.279 14 residues pruned to eliminate duplicates Z: 28 15.166 1.894 0.577 0.413 0.852 0.296 CB 1.256 12 residues pruned to eliminate duplicates Z: 12 11.229 2.173 0.695 0.422 0.818 0.545 CB 1.219 12 residues pruned to eliminate duplicates Z: 20 46.507 2.338 0.951 0.947 1.000 0.632 CB 1.616 20 residues pruned to eliminate duplicates Z: 20 46.818 2.310 1.090 0.960 1.000 0.737 CB 1.524 20 residues pruned to eliminate duplicates Z: 21 31.135 2.069 0.640 0.909 0.950 0.800 CB 1.533 21 residues pruned to eliminate duplicates Z: 21 41.523 2.273 0.987 0.932 0.950 0.550 CB 1.511 21 residues pruned to eliminate duplicates Z: 33 15.872 1.900 0.484 0.422 0.906 0.500 CB 1.191 33 residues pruned to eliminate duplicates Z: 7 13.404 2.034 0.125 0.860 1.000 1.000 O 1.758 7 residues pruned to eliminate duplicates Z: 11 12.950 1.994 0.704 0.435 0.900 0.600 CB 1.432 Z: 16 9.213 1.770 0.705 0.405 0.733 0.400 CB 1.188 16 residues pruned to eliminate duplicates Z: 6 7.746 1.770 0.779 0.831 1.000 1.000 CA 0.827 Z: 19 9.609 1.889 0.371 0.374 0.778 0.389 CB 1.287 19 residues pruned to eliminate duplicates Z: 32 19.409 2.083 0.620 0.355 0.871 0.484 CB 1.388 Z: 20 42.976 2.291 0.874 0.950 1.000 0.895 CB 1.584 20 residues pruned to eliminate duplicates Z: 21 12.979 1.843 0.476 0.364 0.900 0.500 CB 1.372 Z: 20 42.067 2.289 0.908 0.946 1.000 0.684 CB 1.528 20 residues pruned to eliminate duplicates Z: 7 7.613 1.826 0.445 0.555 0.833 0.667 CB 1.339 Z: 9 13.185 1.804 0.625 0.814 0.875 0.625 CA 1.383 Z: 28 28.566 2.046 0.494 0.767 0.963 0.852 CA 1.474 28 residues pruned to eliminate duplicates Z: 22 32.387 2.117 0.791 0.882 0.952 0.619 CB 1.416 22 residues pruned to eliminate duplicates Z: 21 29.421 2.064 0.518 0.953 1.000 0.950 CB 1.445 21 residues pruned to eliminate duplicates Z: 7 3.307 1.743 0.459 0.473 0.667 0.333 CB 0.818 Z: 7 8.178 1.974 0.617 0.543 0.833 0.833 CA 1.203 5 residues pruned to eliminate duplicates Z: 21 32.397 2.079 0.809 0.930 1.000 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 9 9.777 1.833 0.012 0.848 1.000 0.625 CA 1.383 9 residues pruned to eliminate duplicates Z: 18 38.928 2.194 1.345 0.909 0.882 0.765 CB 1.476 18 residues pruned to eliminate duplicates Z: 29 23.684 1.991 0.926 0.397 0.929 0.500 CA 1.401 6 residues pruned to eliminate duplicates Z: 13 24.043 2.055 0.555 0.859 1.000 0.833 CB 1.598 13 residues pruned to eliminate duplicates Z: 6 5.801 1.888 0.349 0.626 0.800 0.600 CA 1.131 Z: 13 12.110 1.599 0.683 0.873 1.000 0.917 CB 0.946 Z: 21 14.520 1.966 1.055 0.366 0.750 0.500 CA 1.237 21 residues pruned to eliminate duplicates Z: 8 13.953 1.840 0.408 0.848 1.000 0.714 CA 1.510 8 residues pruned to eliminate duplicates Z: 46 18.015 1.899 0.619 0.377 0.889 0.489 CB 1.120 38 residues pruned to eliminate duplicates Z: 23 20.487 1.828 0.855 0.564 1.000 0.545 CB 1.210 7 residues pruned to eliminate duplicates Z: 41 25.608 1.939 0.525 0.606 0.975 0.800 CA 1.270 39 residues pruned to eliminate duplicates Z: 10 4.729 1.792 0.284 0.283 0.889 0.444 CB 0.985 7 residues pruned to eliminate duplicates Z: 18 21.923 2.020 0.431 0.923 1.000 1.000 CA 1.292 18 residues pruned to eliminate duplicates Z: 19 28.729 2.059 0.648 0.932 1.000 0.889 CA 1.394 19 residues pruned to eliminate duplicates Z: 72 43.665 2.106 0.799 0.570 0.915 0.662 CB 1.397 72 residues pruned to eliminate duplicates Z: 12 11.252 1.941 0.754 0.494 0.818 0.636 CB 1.225 Z: 9 9.525 1.776 0.320 0.792 0.750 0.750 CA 1.482 9 residues pruned to eliminate duplicates Z: 12 14.315 1.858 0.781 0.578 0.909 0.727 CB 1.331 Z: 18 13.363 1.839 0.631 0.483 0.882 0.412 CB 1.246 14 residues pruned to eliminate duplicates Z: 34 11.584 1.782 0.552 0.285 0.758 0.455 CB 1.226 Z: 8 6.182 1.673 0.397 0.476 0.857 0.571 CB 1.195 Z: 10 13.259 1.714 0.530 0.818 1.000 0.667 CA 1.279 10 residues pruned to eliminate duplicates Z: 20 33.796 2.272 0.547 0.920 1.000 0.895 CB 1.553 20 residues pruned to eliminate duplicates Z: 9 7.819 1.825 0.845 0.534 0.875 0.375 CB 0.908 9 residues pruned to eliminate duplicates Z: 10 9.289 1.712 0.332 0.788 0.889 0.556 CA 1.186 10 residues pruned to eliminate duplicates Z: 20 51.091 2.324 1.243 0.941 1.000 0.737 CB 1.561 20 residues pruned to eliminate duplicates Z: 6 8.079 1.850 0.136 0.624 1.000 0.800 CB 1.530 Z: 30 24.916 2.051 0.770 0.447 0.897 0.483 CB 1.501 11 residues pruned to eliminate duplicates Z: 12 10.130 1.967 0.650 0.410 0.909 0.636 CB 1.137 13 residues pruned to eliminate duplicates Z: 80 53.843 2.153 0.873 0.579 0.924 0.557 CB 1.507 79 residues pruned to eliminate duplicates Z: 35 12.644 1.844 0.534 0.349 0.853 0.588 CB 1.058 Z: 26 23.892 2.073 0.776 0.491 1.000 0.440 CB 1.309 26 residues pruned to eliminate duplicates Z: 9 11.856 1.844 1.104 0.432 1.000 0.625 CB 1.159 8 residues pruned to eliminate duplicates Z: 21 23.875 2.209 0.254 0.909 0.950 0.900 CB 1.439 21 residues pruned to eliminate duplicates Z: 20 44.502 2.149 1.132 0.950 1.000 0.842 CB 1.537 23 residues pruned to eliminate duplicates Z: 27 17.962 1.986 0.526 0.516 0.923 0.692 CB 1.240 27 residues pruned to eliminate duplicates Z: 11 6.020 1.893 0.617 0.359 0.700 0.300 CA 1.035 10 residues pruned to eliminate duplicates Z: 34 34.413 2.054 0.780 0.684 0.939 0.485 CA 1.472 34 residues pruned to eliminate duplicates Z: 21 33.123 2.038 0.794 0.934 1.000 0.850 CB 1.412 21 residues pruned to eliminate duplicates Z: 20 46.771 2.257 1.118 0.886 1.000 0.737 CB 1.619 20 residues pruned to eliminate duplicates Z: 12 11.586 2.011 0.780 0.436 0.818 0.455 CB 1.274 12 residues pruned to eliminate duplicates Z: 12 14.780 1.736 0.851 0.760 0.909 0.545 CA 1.211 12 residues pruned to eliminate duplicates Z: 13 11.441 2.024 0.722 0.434 0.833 0.583 CB 1.217 13 residues pruned to eliminate duplicates Z: 29 23.734 1.987 0.911 0.441 0.893 0.500 CA 1.406 28 residues pruned to eliminate duplicates Z: 23 18.908 1.993 0.559 0.542 1.000 0.727 CB 1.245 23 residues pruned to eliminate duplicates Z: 14 8.826 1.632 0.348 0.581 0.846 0.385 CB 1.216 6 residues pruned to eliminate duplicates Z: 8 6.631 1.854 0.666 0.464 0.714 0.286 CA 1.179 Z: 12 11.477 1.872 0.514 0.502 0.818 0.636 CB 1.489 Z: 21 33.804 2.047 0.966 0.937 1.000 0.800 CB 1.308 21 residues pruned to eliminate duplicates Z: 9 12.510 2.061 0.596 0.540 1.000 0.750 CB 1.293 10 residues pruned to eliminate duplicates Z: 34 29.925 2.042 0.619 0.613 1.000 0.667 CA 1.415 34 residues pruned to eliminate duplicates Z: 6 12.754 2.195 0.040 0.868 1.000 0.400 CA 1.827 6 residues pruned to eliminate duplicates Z: 7 7.405 1.647 0.269 0.557 1.000 0.500 N 1.368 Z: 27 29.947 2.056 0.710 0.679 0.923 0.731 CB 1.535 27 residues pruned to eliminate duplicates Z: 33 26.350 1.992 0.918 0.453 0.906 0.656 CA 1.411 33 residues pruned to eliminate duplicates Z: 21 25.334 2.062 0.625 0.906 0.950 0.750 CB 1.266 21 residues pruned to eliminate duplicates Z: 14 16.971 1.961 0.758 0.581 0.923 0.692 CB 1.368 16 residues pruned to eliminate duplicates Z: 11 14.459 2.091 0.409 0.766 1.000 0.700 CB 1.226 11 residues pruned to eliminate duplicates Z: 6 10.512 1.885 0.653 0.678 0.800 0.800 CA 1.601 7 residues pruned to eliminate duplicates Z: 9 12.191 1.758 0.479 0.843 1.000 1.000 CA 1.234 9 residues pruned to eliminate duplicates Z: 6 4.054 1.500 0.314 0.755 0.600 0.600 CB 1.221 6 residues pruned to eliminate duplicates Z: 29 12.606 1.821 0.635 0.360 0.821 0.571 CB 1.133 29 residues pruned to eliminate duplicates Z: 19 12.214 1.802 0.498 0.460 0.889 0.778 CB 1.249 18 residues pruned to eliminate duplicates Z: 10 10.567 1.690 0.210 0.846 1.000 0.889 CA 1.279 10 residues pruned to eliminate duplicates Z: 8 7.997 1.862 0.385 0.388 1.000 0.429 CB 1.321 Z: 14 12.819 1.767 0.778 0.460 0.923 0.615 CA 1.278 13 residues pruned to eliminate duplicates Z: 7 6.694 1.656 0.620 0.402 1.000 0.667 CB 1.129 Z: 10 15.400 1.639 0.811 0.866 1.000 0.556 CB 1.266 10 residues pruned to eliminate duplicates Z: 12 8.490 1.993 0.552 0.412 0.818 0.545 CB 1.108 12 residues pruned to eliminate duplicates Z: 23 27.658 1.933 0.543 0.881 1.000 0.818 CB 1.431 23 residues pruned to eliminate duplicates Z: 10 14.107 1.738 0.674 0.903 1.000 1.000 CB 1.152 10 residues pruned to eliminate duplicates Z: 10 4.618 1.736 0.174 0.423 0.556 0.333 N 1.474 Z: 11 10.688 1.899 0.463 0.422 0.900 0.700 CA 1.466 11 residues pruned to eliminate duplicates Z: 18 31.458 2.067 0.841 0.942 1.000 0.824 CA 1.390 18 residues pruned to eliminate duplicates Z: 18 13.730 1.705 0.797 0.379 0.941 0.706 CA 1.314 13 residues pruned to eliminate duplicates Z: 15 12.102 1.791 0.491 0.418 1.000 0.500 CB 1.319 15 residues pruned to eliminate duplicates Z: 32 20.696 2.079 0.683 0.394 0.871 0.516 CB 1.364 32 residues pruned to eliminate duplicates Z: 15 5.769 1.777 0.429 0.306 0.714 0.429 CB 1.055 15 residues pruned to eliminate duplicates Z: 10 10.338 1.677 0.394 0.781 0.889 0.556 CA 1.295 10 residues pruned to eliminate duplicates Z: 14 8.936 1.722 0.632 0.480 0.846 0.538 CB 1.063 14 residues pruned to eliminate duplicates Z: 7 10.156 1.827 0.443 0.837 0.833 0.667 C 1.411 7 residues pruned to eliminate duplicates Z: 31 28.767 2.045 0.872 0.434 0.967 0.567 CB 1.520 32 residues pruned to eliminate duplicates Z: 8 6.135 2.001 0.327 0.345 0.857 0.571 CA 1.206 Z: 7 4.286 1.712 0.374 0.405 0.833 0.500 CB 0.987 7 residues pruned to eliminate duplicates Z: 7 3.843 1.663 0.551 0.322 0.833 0.333 CB 0.888 Z: 16 7.969 2.099 0.700 0.400 0.933 0.667 CB 0.686 16 residues pruned to eliminate duplicates Z: 11 6.759 1.741 0.575 0.443 0.900 0.700 CB 0.918 Z: 30 42.342 2.204 0.799 0.770 1.000 0.862 CA 1.562 30 residues pruned to eliminate duplicates Z: 9 5.945 1.793 0.322 0.501 0.750 0.500 CB 1.181 9 residues pruned to eliminate duplicates Z: 9 13.087 1.907 1.177 0.582 0.875 0.750 CB 1.178 8 residues pruned to eliminate duplicates Z: 18 27.280 2.111 0.581 0.935 1.000 0.882 CB 1.382 18 residues pruned to eliminate duplicates Z: 10 13.389 1.882 0.540 0.629 0.889 0.778 C 1.535 10 residues pruned to eliminate duplicates Z: 7 5.231 1.958 1.000 0.396 0.500 0.500 CB 1.217 7 residues pruned to eliminate duplicates Z: 26 12.487 1.877 0.657 0.289 0.760 0.480 CB 1.339 24 residues pruned to eliminate duplicates Z: 6 3.149 1.573 1.013 0.465 0.600 0.400 CB 0.768 Z: 22 40.302 2.217 0.799 0.934 1.000 0.857 CB 1.537 22 residues pruned to eliminate duplicates Z: 32 17.034 1.848 0.672 0.355 0.806 0.516 CA 1.436 32 residues pruned to eliminate duplicates Z: 10 12.427 1.817 0.468 0.874 1.000 0.778 CA 1.130 11 residues pruned to eliminate duplicates Z: 73 52.251 2.171 0.834 0.623 0.944 0.708 CB 1.458 73 residues pruned to eliminate duplicates Z: 15 14.215 1.813 0.551 0.480 0.929 0.643 CA 1.485 15 residues pruned to eliminate duplicates Z: 20 14.594 1.906 0.520 0.493 0.842 0.684 CB 1.381 13 residues pruned to eliminate duplicates Z: 21 7.984 1.643 0.572 0.295 0.800 0.400 CB 1.087 8 residues pruned to eliminate duplicates Z: 27 16.415 1.970 0.707 0.328 0.808 0.423 CA 1.432 27 residues pruned to eliminate duplicates Z: 21 27.094 2.033 0.507 0.927 1.000 0.950 CB 1.386 21 residues pruned to eliminate duplicates Z: 11 9.784 2.071 0.356 0.398 0.900 0.800 CA 1.364 11 residues pruned to eliminate duplicates Z: 14 12.568 2.075 0.566 0.308 1.000 0.538 CB 1.327 15 residues pruned to eliminate duplicates Z: 18 8.619 1.872 0.633 0.426 0.588 0.412 CB 1.256 18 residues pruned to eliminate duplicates Z: 31 23.280 2.118 0.546 0.420 0.967 0.600 CB 1.459 31 residues pruned to eliminate duplicates Z: 13 8.741 1.691 0.524 0.478 0.917 0.583 CB 1.092 13 residues pruned to eliminate duplicates Z: 21 49.657 2.308 1.100 0.932 1.000 0.500 CB 1.600 21 residues pruned to eliminate duplicates Z: 14 12.783 1.887 0.558 0.405 0.846 0.462 CB 1.575 14 residues pruned to eliminate duplicates Z: 28 16.505 1.879 0.673 0.382 0.889 0.519 CB 1.289 29 residues pruned to eliminate duplicates Z: 7 3.879 1.630 0.412 0.249 0.833 0.500 CA 1.103 7 residues pruned to eliminate duplicates Z: 12 9.263 1.638 0.826 0.417 0.818 0.364 CA 1.245 10 residues pruned to eliminate duplicates Z: 13 7.369 1.789 0.288 0.372 0.833 0.500 CB 1.270 11 residues pruned to eliminate duplicates Z: 20 26.755 1.971 0.655 0.932 1.000 0.947 CA 1.315 20 residues pruned to eliminate duplicates Z: 20 33.072 2.006 0.939 0.946 1.000 0.895 CA 1.349 20 residues pruned to eliminate duplicates Z: 19 14.246 1.915 0.610 0.298 0.944 0.444 CA 1.445 19 residues pruned to eliminate duplicates Z: 18 35.956 2.165 0.867 0.864 0.941 0.647 CB 1.681 18 residues pruned to eliminate duplicates Z: 20 38.156 2.259 0.784 0.920 1.000 0.737 CB 1.529 20 residues pruned to eliminate duplicates Z: 12 5.506 1.723 0.508 0.346 0.727 0.364 CB 1.038 12 residues pruned to eliminate duplicates Z: 21 36.203 2.087 0.820 0.945 1.000 0.700 CB 1.475 21 residues pruned to eliminate duplicates Z: 15 14.277 1.875 0.674 0.558 0.857 0.357 CB 1.340 15 residues pruned to eliminate duplicates Z: 14 6.499 1.709 0.429 0.362 0.769 0.538 CB 1.113 14 residues pruned to eliminate duplicates Z: 19 29.855 2.074 0.930 0.904 0.944 0.611 CB 1.326 19 residues pruned to eliminate duplicates Z: 21 18.417 1.879 0.647 0.459 0.950 0.600 CB 1.460 13 residues pruned to eliminate duplicates Z: 19 24.870 2.047 0.820 0.613 0.889 0.722 CB 1.590 19 residues pruned to eliminate duplicates Z: 13 7.854 1.878 0.396 0.379 0.833 0.583 CB 1.181 Z: 13 9.786 1.760 0.524 0.609 0.750 0.417 CB 1.267 Z: 29 32.106 2.033 0.634 0.748 1.000 0.857 CB 1.463 21 residues pruned to eliminate duplicates Z: 9 9.551 2.097 0.335 0.479 1.000 0.625 CB 1.232 9 residues pruned to eliminate duplicates Z: 11 10.589 1.830 0.485 0.403 1.000 0.500 CA 1.364 10 residues pruned to eliminate duplicates Z: 32 27.299 2.026 0.833 0.434 0.935 0.645 CA 1.510 32 residues pruned to eliminate duplicates Z: 13 9.437 1.879 0.585 0.358 0.833 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 17 9.164 1.952 0.440 0.269 0.750 0.562 CB 1.413 17 residues pruned to eliminate duplicates Z: 12 10.776 1.833 0.454 0.549 0.909 0.818 CB 1.278 Z: 23 16.902 1.897 0.751 0.475 0.818 0.636 CB 1.359 23 residues pruned to eliminate duplicates Z: 15 10.939 1.763 0.514 0.345 0.929 0.500 CA 1.395 17 residues pruned to eliminate duplicates Z: 19 14.807 1.850 0.761 0.404 0.944 0.556 CB 1.254 22 residues pruned to eliminate duplicates Z: 71 41.932 1.981 0.774 0.610 0.886 0.529 CA 1.451 65 residues pruned to eliminate duplicates Z: 15 12.645 1.741 0.700 0.491 1.000 0.714 CB 1.152 15 residues pruned to eliminate duplicates Z: 10 6.486 1.581 1.016 0.418 0.889 0.556 CB 0.831 7 residues pruned to eliminate duplicates Z: 15 11.101 1.649 0.560 0.456 0.857 0.571 CB 1.408 15 residues pruned to eliminate duplicates Z: 6 2.943 1.442 0.470 0.432 0.600 0.400 CB 1.110 Z: 7 7.168 1.928 0.033 0.764 1.000 0.833 CB 1.163 5 residues pruned to eliminate duplicates Z: 32 14.317 1.988 0.529 0.416 0.774 0.419 CB 1.193 23 residues pruned to eliminate duplicates Z: 20 34.228 2.104 0.916 0.890 1.000 0.632 CB 1.402 20 residues pruned to eliminate duplicates Z: 19 29.794 2.072 0.719 0.923 1.000 0.833 CB 1.385 19 residues pruned to eliminate duplicates Z: 10 12.094 1.710 0.456 0.826 0.889 0.444 CA 1.374 9 residues pruned to eliminate duplicates Z: 12 7.441 1.941 0.255 0.420 0.909 0.727 CB 1.102 12 residues pruned to eliminate duplicates Z: 24 11.138 1.961 0.488 0.291 0.826 0.478 CB 1.218 24 residues pruned to eliminate duplicates Z: 10 15.429 1.888 0.600 0.699 0.889 0.778 CA 1.596 10 residues pruned to eliminate duplicates Z: 13 10.136 1.907 0.518 0.444 0.833 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 28 14.232 1.905 0.488 0.442 0.926 0.593 CB 1.108 26 residues pruned to eliminate duplicates Z: 10 10.200 1.840 0.509 0.619 0.889 0.778 CB 1.231 10 residues pruned to eliminate duplicates Z: 9 4.744 1.770 0.332 0.389 0.750 0.500 CA 1.066 9 residues pruned to eliminate duplicates Z: 28 18.876 1.994 0.715 0.296 0.889 0.333 CA 1.502 28 residues pruned to eliminate duplicates Z: 24 10.618 1.802 0.588 0.421 0.826 0.565 CB 1.016 24 residues pruned to eliminate duplicates Z: 19 37.663 2.266 0.893 0.920 1.000 0.722 CB 1.458 19 residues pruned to eliminate duplicates Z: 35 15.916 2.017 0.665 0.295 0.765 0.441 CB 1.336 35 residues pruned to eliminate duplicates Z: 13 5.501 1.763 0.444 0.540 0.833 0.667 CB 0.720 13 residues pruned to eliminate duplicates Z: 6 4.772 1.695 0.636 0.397 0.800 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 9 13.365 2.058 0.664 0.603 1.000 0.625 CB 1.251 13 residues pruned to eliminate duplicates Z: 13 12.078 1.974 0.695 0.472 0.833 0.583 CB 1.286 13 residues pruned to eliminate duplicates Z: 12 22.401 2.040 0.890 0.649 1.000 0.909 CB 1.525 12 residues pruned to eliminate duplicates Z: 6 2.278 1.394 0.456 0.485 0.600 0.400 C 0.849 Z: 7 5.522 1.590 0.524 0.563 0.667 0.667 N 1.313 7 residues pruned to eliminate duplicates Z: 12 14.260 1.929 0.284 0.610 1.000 0.364 CA 1.563 12 residues pruned to eliminate duplicates Z: 11 16.633 2.154 0.609 0.588 0.900 0.700 CB 1.550 11 residues pruned to eliminate duplicates Z: 19 29.817 2.027 0.771 0.906 1.000 0.833 CA 1.393 19 residues pruned to eliminate duplicates Z: 19 29.932 2.099 0.933 0.874 1.000 0.556 CB 1.266 19 residues pruned to eliminate duplicates Z: 12 18.850 2.024 0.789 0.640 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 48 34.216 2.029 0.659 0.608 0.936 0.617 CB 1.429 48 residues pruned to eliminate duplicates Z: 36 15.493 2.023 0.611 0.313 0.771 0.543 CB 1.281 33 residues pruned to eliminate duplicates Z: 6 3.702 1.563 0.328 0.403 0.800 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 24 10.115 1.716 0.306 0.352 0.870 0.522 CA 1.270 24 residues pruned to eliminate duplicates Z: 18 4.296 1.799 0.303 0.322 0.706 0.471 CB 0.766 18 residues pruned to eliminate duplicates Z: 13 9.557 1.628 0.166 0.906 1.000 0.833 CA 1.034 15 residues pruned to eliminate duplicates Z: 13 11.860 1.844 0.659 0.411 0.917 0.667 CA 1.341 13 residues pruned to eliminate duplicates Z: 34 18.292 1.965 0.470 0.499 0.848 0.606 CB 1.300 34 residues pruned to eliminate duplicates Z: 12 18.563 2.060 0.664 0.915 1.000 0.818 CB 1.154 12 residues pruned to eliminate duplicates Z: 7 11.901 2.157 0.520 0.597 0.833 0.667 CB 1.620 7 residues pruned to eliminate duplicates Z: 33 17.207 1.727 0.571 0.492 0.875 0.594 CB 1.292 32 residues pruned to eliminate duplicates Z: 11 13.448 1.665 0.386 0.910 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 29 27.850 2.158 0.938 0.447 0.929 0.607 CB 1.432 28 residues pruned to eliminate duplicates Z: 9 11.656 1.960 0.607 0.498 1.000 0.500 CB 1.311 9 residues pruned to eliminate duplicates Z: 21 10.153 1.823 0.307 0.322 0.950 0.400 CB 1.220 17 residues pruned to eliminate duplicates Z: 10 11.313 1.832 1.158 0.439 1.000 0.778 CB 1.016 11 residues pruned to eliminate duplicates Z: 11 3.982 1.671 0.287 0.311 0.700 0.500 N 1.031 11 residues pruned to eliminate duplicates Z: 16 9.792 1.952 0.380 0.390 0.933 0.667 CB 1.131 16 residues pruned to eliminate duplicates Z: 12 11.706 2.052 0.717 0.413 0.818 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 10 14.681 2.105 0.439 0.616 1.000 0.889 CA 1.449 10 residues pruned to eliminate duplicates Z: 21 14.332 1.794 0.545 0.567 0.950 0.650 CB 1.141 22 residues pruned to eliminate duplicates Z: 8 5.505 1.712 0.407 0.731 0.571 0.571 CB 1.228 8 residues pruned to eliminate duplicates Z: 33 18.494 2.051 0.515 0.322 0.969 0.531 CB 1.321 33 residues pruned to eliminate duplicates Z: 9 8.665 1.894 0.657 0.432 0.750 0.375 CA 1.397 Z: 9 18.873 1.839 1.041 0.865 1.000 0.500 CA 1.302 10 residues pruned to eliminate duplicates Z: 26 9.556 1.799 0.381 0.321 0.760 0.440 CB 1.233 26 residues pruned to eliminate duplicates Z: 33 23.559 1.965 0.795 0.391 0.875 0.438 CB 1.514 33 residues pruned to eliminate duplicates Z: 10 7.441 2.035 0.455 0.433 0.778 0.667 CB 1.154 10 residues pruned to eliminate duplicates Z: 30 21.823 2.161 0.720 0.377 0.828 0.552 CB 1.502 30 residues pruned to eliminate duplicates Z: 7 9.044 1.928 0.864 0.687 0.833 0.833 CB 1.039 Z: 11 11.373 1.848 0.554 0.524 0.900 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 27 14.906 1.975 0.475 0.473 0.885 0.615 CB 1.166 27 residues pruned to eliminate duplicates Z: 19 23.195 2.037 0.377 0.924 1.000 0.778 CA 1.369 19 residues pruned to eliminate duplicates Z: 16 18.764 1.960 0.926 0.499 0.933 0.733 CB 1.377 16 residues pruned to eliminate duplicates Z: 8 6.231 1.781 0.301 0.477 0.857 0.571 CB 1.214 Z: 9 9.846 1.732 0.487 0.820 0.875 0.875 CA 1.170 9 residues pruned to eliminate duplicates Z: 21 8.473 1.788 0.709 0.377 0.800 0.450 CB 0.883 21 residues pruned to eliminate duplicates Z: 11 11.909 1.870 0.712 0.495 0.800 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 9 10.689 1.613 0.719 0.890 1.000 0.500 CA 0.980 9 residues pruned to eliminate duplicates Z: 21 17.718 1.919 0.620 0.418 0.950 0.550 CA 1.461 21 residues pruned to eliminate duplicates Z: 6 2.724 1.692 -0.449 0.645 0.800 0.600 CA 1.427 Z: 35 23.152 1.917 0.629 0.443 0.912 0.500 CB 1.479 35 residues pruned to eliminate duplicates Z: 11 8.413 1.751 0.599 0.905 0.900 0.700 CB 0.752 11 residues pruned to eliminate duplicates Z: 27 15.865 1.967 0.542 0.493 0.885 0.731 CB 1.168 27 residues pruned to eliminate duplicates Z: 13 7.836 1.636 0.834 0.332 0.750 0.583 CA 1.208 13 residues pruned to eliminate duplicates Z: 34 27.781 1.966 0.503 0.718 0.970 0.727 CA 1.385 29 residues pruned to eliminate duplicates Z: 26 15.870 1.984 0.476 0.424 0.960 0.560 CB 1.222 27 residues pruned to eliminate duplicates Z: 10 7.852 1.763 0.406 0.723 0.778 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 9 4.331 1.743 0.890 0.243 0.750 0.500 CB 0.834 9 residues pruned to eliminate duplicates Z: 30 10.964 1.834 0.381 0.368 0.793 0.621 CB 1.168 30 residues pruned to eliminate duplicates Z: 21 39.626 2.244 0.762 0.940 1.000 0.900 CB 1.556 21 residues pruned to eliminate duplicates Z: 28 13.436 1.905 0.461 0.370 0.815 0.667 CB 1.311 28 residues pruned to eliminate duplicates Z: 20 39.700 2.249 0.952 0.921 1.000 0.737 CB 1.460 20 residues pruned to eliminate duplicates Z: 10 14.242 1.749 0.749 0.774 1.000 0.778 CA 1.218 10 residues pruned to eliminate duplicates Z: 9 5.751 1.774 0.130 0.475 1.000 0.500 CB 1.041 9 residues pruned to eliminate duplicates Z: 19 31.720 2.033 0.889 0.918 0.944 0.389 CA 1.453 19 residues pruned to eliminate duplicates Z: 11 22.623 2.243 0.451 0.879 1.000 0.900 CB 1.594 11 residues pruned to eliminate duplicates Z: 24 13.584 2.013 0.359 0.484 0.913 0.478 CB 1.152 24 residues pruned to eliminate duplicates Z: 7 6.323 1.867 0.218 0.324 1.000 1.000 CB 1.377 Z: 6 6.198 1.626 0.359 0.697 0.800 0.400 C 1.309 6 residues pruned to eliminate duplicates Z: 12 21.679 2.039 0.966 0.671 1.000 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 32 28.320 2.033 0.980 0.433 0.903 0.516 CA 1.499 32 residues pruned to eliminate duplicates Z: 15 9.514 1.672 0.572 0.438 0.929 0.571 CB 1.111 12 residues pruned to eliminate duplicates Z: 14 9.481 1.643 0.395 0.880 0.923 0.846 CB 0.901 13 residues pruned to eliminate duplicates Z: 8 9.828 1.637 0.452 0.682 1.000 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 11 12.988 1.760 1.112 0.922 1.000 0.800 CB 0.778 11 residues pruned to eliminate duplicates Z: 24 16.566 1.996 0.495 0.541 0.913 0.696 CB 1.219 24 residues pruned to eliminate duplicates Z: 7 6.702 1.767 0.425 0.565 0.667 0.667 C 1.530 7 residues pruned to eliminate duplicates Z: 15 12.040 1.843 0.550 0.535 0.857 0.714 CB 1.269 Z: 6 4.750 1.631 -0.084 0.850 1.000 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 12 6.587 1.728 0.367 0.456 0.818 0.727 CB 1.075 12 residues pruned to eliminate duplicates Z: 21 44.600 2.247 0.954 0.926 1.000 0.900 CB 1.593 21 residues pruned to eliminate duplicates Z: 9 11.605 1.985 0.814 0.320 0.875 0.625 CB 1.587 9 residues pruned to eliminate duplicates Z: 8 4.748 1.574 0.556 0.483 0.857 0.714 CA 0.870 Z: 21 9.021 1.687 0.396 0.314 0.850 0.400 CB 1.237 19 residues pruned to eliminate duplicates Z: 33 28.289 1.941 0.662 0.684 0.938 0.750 CA 1.397 33 residues pruned to eliminate duplicates Z: 18 5.203 1.661 0.356 0.357 0.706 0.294 CB 0.926 18 residues pruned to eliminate duplicates Z: 11 12.277 2.031 0.709 0.529 0.900 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 19 11.804 1.819 0.517 0.433 0.889 0.556 CA 1.216 21 residues pruned to eliminate duplicates Z: 21 12.166 1.834 0.508 0.398 1.000 0.550 CB 1.096 21 residues pruned to eliminate duplicates Z: 7 5.315 1.812 0.139 0.573 1.000 0.833 CB 0.981 6 residues pruned to eliminate duplicates Z: 21 33.951 2.229 0.935 0.879 0.900 0.650 CB 1.418 21 residues pruned to eliminate duplicates Z: 9 7.481 1.730 0.690 0.405 0.750 0.375 CB 1.332 9 residues pruned to eliminate duplicates Z: 31 19.415 2.100 0.482 0.438 0.867 0.500 CB 1.401 31 residues pruned to eliminate duplicates Z: 22 23.901 1.974 0.603 0.878 0.905 0.762 CB 1.323 22 residues pruned to eliminate duplicates Z: 11 9.316 2.006 0.523 0.399 0.900 0.500 CB 1.192 11 residues pruned to eliminate duplicates Z: 55 40.905 2.083 0.766 0.612 0.907 0.537 CB 1.500 55 residues pruned to eliminate duplicates Z: 15 6.574 1.617 0.570 0.466 0.857 0.571 CB 0.836 17 residues pruned to eliminate duplicates Z: 8 5.306 1.714 0.339 0.327 0.857 0.714 CA 1.232 Z: 10 5.813 1.725 0.459 0.486 0.667 0.556 CB 1.170 13 residues pruned to eliminate duplicates Z: 6 11.824 1.676 0.983 0.661 1.000 0.800 C 1.370 6 residues pruned to eliminate duplicates Z: 20 40.475 2.239 0.938 0.927 1.000 0.632 CB 1.499 20 residues pruned to eliminate duplicates Z: 9 12.753 1.764 0.539 0.837 1.000 0.875 CA 1.242 9 residues pruned to eliminate duplicates Z: 13 13.003 1.830 0.472 0.648 0.917 0.667 CB 1.323 13 residues pruned to eliminate duplicates Z: 7 10.506 1.913 0.830 0.590 0.833 0.833 CA 1.350 7 residues pruned to eliminate duplicates Z: 16 12.615 1.763 0.632 0.538 0.933 0.600 CB 1.168 16 residues pruned to eliminate duplicates Z: 17 14.368 1.956 0.614 0.447 0.875 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 12 9.371 1.877 0.441 0.398 0.818 0.545 CB 1.422 12 residues pruned to eliminate duplicates Z: 6 6.761 2.007 0.025 0.808 0.800 0.200 CA 1.404 6 residues pruned to eliminate duplicates Z: 10 13.994 1.901 0.645 0.537 1.000 0.667 CA 1.439 10 residues pruned to eliminate duplicates Z: 12 8.212 1.802 0.494 0.562 0.818 0.636 CB 1.059 12 residues pruned to eliminate duplicates Z: 34 24.168 1.889 0.566 0.602 0.939 0.727 CA 1.375 34 residues pruned to eliminate duplicates Z: 8 3.167 1.474 0.501 0.270 0.714 0.429 CA 0.984 Z: 24 16.872 2.012 0.433 0.512 0.913 0.609 CB 1.320 24 residues pruned to eliminate duplicates Z: 30 16.380 1.736 0.677 0.458 0.793 0.483 CB 1.376 26 residues pruned to eliminate duplicates Z: 27 17.868 1.954 0.574 0.502 0.923 0.692 CB 1.232 27 residues pruned to eliminate duplicates Z: 11 10.143 1.729 0.715 0.916 1.000 0.900 CB 0.764 11 residues pruned to eliminate duplicates Z: 11 9.599 1.979 0.172 0.478 0.900 0.700 CA 1.486 11 residues pruned to eliminate duplicates Z: 20 35.276 2.075 1.056 0.946 1.000 0.895 CB 1.312 20 residues pruned to eliminate duplicates Z: 23 13.340 1.948 0.442 0.335 0.864 0.500 CB 1.404 23 residues pruned to eliminate duplicates Z: 19 9.913 2.048 0.393 0.272 0.833 0.444 CB 1.274 19 residues pruned to eliminate duplicates Z: 13 4.321 1.557 -0.037 0.461 0.833 0.500 C 1.039 13 residues pruned to eliminate duplicates Z: 28 17.632 1.895 0.938 0.421 0.852 0.370 CB 1.178 28 residues pruned to eliminate duplicates Z: 24 17.338 1.972 0.547 0.426 0.913 0.609 CB 1.403 24 residues pruned to eliminate duplicates Z: 9 9.707 1.761 0.350 0.858 0.875 0.625 CB 1.214 9 residues pruned to eliminate duplicates Z: 8 6.076 1.645 0.536 0.586 0.857 0.571 CA 0.976 Z: 8 5.701 1.832 0.223 0.454 0.857 0.857 CB 1.176 8 residues pruned to eliminate duplicates Z: 18 9.919 1.818 0.479 0.398 0.882 0.588 CB 1.128 18 residues pruned to eliminate duplicates Z: 10 6.453 1.863 0.548 0.339 0.778 0.444 CA 1.143 10 residues pruned to eliminate duplicates Z: 28 14.189 1.897 0.614 0.340 0.815 0.444 CB 1.303 28 residues pruned to eliminate duplicates Z: 20 27.295 2.091 0.583 0.890 1.000 0.737 CB 1.361 20 residues pruned to eliminate duplicates Z: 31 23.106 2.099 0.782 0.385 0.900 0.600 CB 1.415 31 residues pruned to eliminate duplicates Z: 6 5.934 1.784 0.280 0.717 0.800 0.800 CB 1.194 Z: 9 13.915 1.850 0.623 0.648 1.000 0.750 CA 1.428 9 residues pruned to eliminate duplicates Z: 9 3.868 1.704 0.349 0.268 0.625 0.375 CA 1.240 9 residues pruned to eliminate duplicates Z: 10 5.546 1.864 0.191 0.346 0.778 0.444 CB 1.266 Z: 6 4.157 1.627 0.774 0.444 0.600 0.600 CB 1.137 Z: 11 22.242 2.038 0.844 0.734 1.000 0.800 CB 1.516 11 residues pruned to eliminate duplicates Z: 12 3.981 1.553 0.375 0.405 0.636 0.455 CB 0.976 12 residues pruned to eliminate duplicates Z: 11 7.211 1.750 0.764 0.400 0.800 0.700 CB 1.027 10 residues pruned to eliminate duplicates Z: 6 2.604 1.323 0.408 0.453 0.600 0.400 N 1.094 Z: 6 4.604 1.845 0.206 0.436 0.800 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 20 22.238 2.017 0.783 0.689 0.895 0.474 CB 1.333 20 residues pruned to eliminate duplicates Z: 18 15.365 1.724 0.804 0.544 0.941 0.706 CB 1.219 18 residues pruned to eliminate duplicates Z: 20 44.879 2.297 1.068 0.926 1.000 0.632 CB 1.521 20 residues pruned to eliminate duplicates Z: 18 13.390 1.865 0.666 0.442 0.882 0.588 CB 1.257 18 residues pruned to eliminate duplicates Z: 17 10.161 1.941 0.486 0.400 0.750 0.438 CB 1.304 17 residues pruned to eliminate duplicates Z: 42 43.409 2.117 0.849 0.677 1.000 0.659 CA 1.472 42 residues pruned to eliminate duplicates Z: 12 15.341 1.910 0.508 0.752 1.000 0.455 CA 1.282 12 residues pruned to eliminate duplicates Z: 12 10.824 1.787 0.503 0.523 1.000 0.818 CA 1.187 12 residues pruned to eliminate duplicates Z: 15 9.400 1.871 0.677 0.283 0.929 0.500 CB 1.101 14 residues pruned to eliminate duplicates Z: 31 24.324 2.036 1.015 0.430 0.900 0.667 CA 1.294 31 residues pruned to eliminate duplicates Z: 9 14.038 1.824 0.885 0.605 0.875 0.625 CA 1.493 9 residues pruned to eliminate duplicates Z: 17 15.755 1.807 0.739 0.493 0.875 0.562 CA 1.442 17 residues pruned to eliminate duplicates Z: 6 2.684 1.481 0.796 0.495 0.600 0.400 CB 0.756 Z: 12 15.752 1.986 0.396 0.912 1.000 0.909 CA 1.212 12 residues pruned to eliminate duplicates Z: 10 16.410 2.014 0.906 0.688 0.889 0.889 CB 1.349 10 residues pruned to eliminate duplicates Z: 8 5.736 1.553 0.803 0.324 0.857 0.571 CB 1.097 Z: 41 24.319 2.087 0.559 0.358 0.875 0.475 CB 1.574 56 residues pruned to eliminate duplicates Z: 15 13.241 1.838 0.605 0.352 0.929 0.571 CA 1.517 15 residues pruned to eliminate duplicates Z: 7 4.951 1.707 0.377 0.428 0.833 0.500 CB 1.111 6 residues pruned to eliminate duplicates Z: 23 8.026 1.686 0.559 0.287 0.818 0.455 CA 1.011 20 residues pruned to eliminate duplicates Z: 6 5.331 1.658 0.418 0.558 0.800 0.800 CA 1.198 6 residues pruned to eliminate duplicates Z: 27 29.732 2.097 0.540 0.691 0.962 0.846 CB 1.576 31 residues pruned to eliminate duplicates Z: 19 13.666 1.937 0.364 0.617 0.944 0.778 CB 1.156 19 residues pruned to eliminate duplicates Z: 8 4.100 1.513 0.219 0.391 0.714 0.714 O 1.321 Z: 18 29.547 2.007 1.043 0.936 0.882 0.353 CA 1.380 18 residues pruned to eliminate duplicates Z: 9 7.070 1.706 0.472 0.571 1.000 0.750 CB 0.929 9 residues pruned to eliminate duplicates Z: 21 31.803 2.024 0.827 0.904 1.000 0.800 CB 1.370 21 residues pruned to eliminate duplicates Z: 9 8.712 1.823 0.821 0.456 0.875 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 9 3.333 1.756 0.674 0.272 0.625 0.375 CA 0.831 Z: 10 4.683 1.544 0.335 0.377 0.778 0.667 CA 1.110 10 residues pruned to eliminate duplicates Z: 13 12.848 1.812 0.695 0.507 0.833 0.667 CA 1.439 13 residues pruned to eliminate duplicates Z: 19 8.246 1.925 0.357 0.308 0.833 0.333 CB 1.105 19 residues pruned to eliminate duplicates Z: 36 14.948 1.968 0.558 0.290 0.829 0.457 CB 1.258 36 residues pruned to eliminate duplicates Z: 27 10.866 1.883 0.637 0.229 0.731 0.462 CB 1.298 27 residues pruned to eliminate duplicates Z: 10 4.521 1.644 0.557 0.257 0.778 0.667 CB 1.001 9 residues pruned to eliminate duplicates Z: 28 14.745 1.909 0.542 0.391 0.852 0.519 CA 1.270 27 residues pruned to eliminate duplicates Z: 35 18.674 2.007 0.549 0.441 0.853 0.588 CB 1.284 34 residues pruned to eliminate duplicates Z: 6 4.916 1.337 0.793 0.496 1.000 1.000 CB 0.921 Z: 10 13.093 1.920 0.272 0.790 1.000 0.667 CB 1.385 Z: 9 6.420 1.649 0.343 0.659 0.875 0.500 CA 1.011 9 residues pruned to eliminate duplicates Z: 15 10.180 1.876 0.568 0.401 0.714 0.571 CA 1.437 15 residues pruned to eliminate duplicates Z: 19 20.259 1.951 0.682 0.573 0.944 0.722 CA 1.436 19 residues pruned to eliminate duplicates Z: 13 14.979 2.178 0.882 0.378 0.833 0.500 CB 1.442 13 residues pruned to eliminate duplicates Z: 11 13.802 1.624 0.854 0.777 0.900 0.700 CB 1.261 11 residues pruned to eliminate duplicates Z: 6 3.344 1.585 0.159 0.299 1.000 0.600 CB 1.018 6 residues pruned to eliminate duplicates Z: 36 19.096 1.972 0.728 0.347 0.886 0.514 CB 1.263 44 residues pruned to eliminate duplicates Z: 7 2.299 1.615 0.562 0.351 0.500 0.500 N 0.874 Z: 13 6.825 1.838 0.361 0.367 0.667 0.417 CB 1.362 6 residues pruned to eliminate duplicates Z: 10 11.204 1.813 0.683 0.636 0.889 0.889 CB 1.212 11 residues pruned to eliminate duplicates Z: 20 9.874 2.037 0.638 0.340 0.632 0.368 CB 1.280 25 residues pruned to eliminate duplicates Z: 26 19.131 1.912 0.590 0.454 0.880 0.400 CA 1.498 26 residues pruned to eliminate duplicates Z: 12 10.239 2.107 0.786 0.474 0.727 0.545 CA 1.157 12 residues pruned to eliminate duplicates Z: 48 30.821 1.917 0.793 0.501 0.915 0.511 CA 1.429 48 residues pruned to eliminate duplicates Z: 15 11.010 2.026 0.322 0.357 0.929 0.429 CB 1.380 15 residues pruned to eliminate duplicates Z: 11 2.798 1.584 0.082 0.336 0.800 0.200 CB 0.771 11 residues pruned to eliminate duplicates Z: 12 3.081 1.475 0.292 0.244 0.636 0.182 CB 1.029 Z: 11 7.936 1.643 0.614 0.339 0.900 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 27 17.416 1.936 0.576 0.368 0.885 0.500 CB 1.458 27 residues pruned to eliminate duplicates Z: 9 7.365 1.644 0.534 0.505 1.000 0.625 CA 1.027 10 residues pruned to eliminate duplicates Z: 31 24.355 2.073 0.699 0.436 0.900 0.533 CA 1.499 33 residues pruned to eliminate duplicates Z: 9 7.495 1.863 0.396 0.476 1.000 0.500 CA 1.044 7 residues pruned to eliminate duplicates Z: 20 26.616 2.013 0.615 0.915 1.000 0.789 CB 1.328 20 residues pruned to eliminate duplicates Z: 25 11.970 1.749 0.658 0.315 0.917 0.667 CB 1.128 25 residues pruned to eliminate duplicates 6 0.672 1.532 0.762 0.369 0.800 0.400 CB 0.160 ? Z: 19 26.046 1.996 0.952 0.914 0.944 0.611 CA 1.180 19 residues pruned to eliminate duplicates Z: 10 13.158 1.862 0.325 0.890 1.000 0.889 CA 1.279 10 residues pruned to eliminate duplicates Z: 29 17.790 1.934 0.606 0.481 0.821 0.607 CA 1.343 29 residues pruned to eliminate duplicates Z: 19 10.529 1.674 0.451 0.457 0.833 0.500 CA 1.281 19 residues pruned to eliminate duplicates Z: 15 13.982 1.800 0.735 0.514 1.000 0.500 CB 1.180 10 residues pruned to eliminate duplicates Z: 11 9.463 1.894 0.162 0.680 0.900 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 9 5.973 1.644 0.262 0.438 0.875 0.750 CB 1.240 Z: 10 6.321 1.683 0.740 0.526 0.889 0.667 CB 0.789 10 residues pruned to eliminate duplicates 6 1.774 1.695 0.252 0.420 0.600 0.600 CB 0.677 ? Z: 30 14.594 1.844 0.507 0.468 0.862 0.517 CB 1.169 30 residues pruned to eliminate duplicates Z: 7 7.015 1.485 1.029 0.380 0.833 0.500 CB 1.295 7 residues pruned to eliminate duplicates Z: 10 4.972 1.450 0.568 0.363 0.889 0.333 CB 0.951 9 residues pruned to eliminate duplicates Z: 6 3.552 1.571 0.413 0.296 0.800 0.400 O 1.123 6 residues pruned to eliminate duplicates Z: 20 37.671 1.967 1.181 0.894 0.947 0.105 CA 1.525 20 residues pruned to eliminate duplicates Z: 6 5.456 1.819 0.574 0.468 1.000 0.600 CB 0.881 6 residues pruned to eliminate duplicates Z: 12 11.554 1.756 0.576 0.640 0.818 0.545 CA 1.350 12 residues pruned to eliminate duplicates Z: 33 27.903 1.966 0.733 0.660 0.938 0.781 CA 1.331 33 residues pruned to eliminate duplicates Z: 8 4.411 1.513 0.126 0.461 0.857 0.714 N 1.189 Z: 7 2.596 1.436 0.200 0.232 0.833 0.333 C 1.009 Z: 33 22.648 1.925 0.289 0.673 0.969 0.750 CB 1.420 33 residues pruned to eliminate duplicates Z: 11 9.638 2.022 0.330 0.470 0.900 0.300 CB 1.299 11 residues pruned to eliminate duplicates 6 1.596 1.387 -0.260 0.626 0.800 0.600 C 0.772 ? Z: 26 8.780 1.688 0.387 0.303 0.880 0.480 CB 1.062 26 residues pruned to eliminate duplicates Z: 7 6.379 1.753 0.579 0.789 1.000 0.833 N 0.730 Z: 11 7.038 1.848 0.885 0.277 0.900 0.600 CB 0.914 11 residues pruned to eliminate duplicates Z: 16 9.320 1.809 0.600 0.388 0.867 0.600 CB 1.081 11 residues pruned to eliminate duplicates Z: 31 19.371 2.044 0.664 0.387 0.900 0.500 CB 1.304 17 residues pruned to eliminate duplicates Z: 11 5.385 1.635 0.856 0.288 0.700 0.500 CB 1.018 Z: 12 13.397 1.696 0.793 0.906 1.000 1.000 CB 0.945 12 residues pruned to eliminate duplicates Z: 8 4.367 1.549 -0.234 0.750 1.000 0.571 C 1.113 Z: 8 8.964 1.927 0.895 0.452 0.714 0.286 CA 1.364 8 residues pruned to eliminate duplicates Z: 9 7.533 1.643 0.373 0.545 1.000 0.625 CA 1.129 9 residues pruned to eliminate duplicates Z: 7 5.689 1.949 0.572 0.234 0.833 0.833 CB 1.239 Z: 35 16.014 1.961 0.613 0.329 0.853 0.441 CB 1.228 35 residues pruned to eliminate duplicates Z: 21 34.262 2.076 0.932 0.898 1.000 0.650 CB 1.366 21 residues pruned to eliminate duplicates Z: 8 6.619 1.866 0.747 0.284 0.857 0.429 CB 1.142 8 residues pruned to eliminate duplicates Z: 42 26.480 2.006 0.526 0.547 0.927 0.585 CB 1.392 42 residues pruned to eliminate duplicates Z: 21 30.507 2.090 0.539 0.942 1.000 0.900 CB 1.470 21 residues pruned to eliminate duplicates Z: 35 19.296 1.965 0.695 0.385 0.941 0.441 CB 1.194 35 residues pruned to eliminate duplicates Z: 20 38.789 2.109 0.957 0.928 1.000 0.737 CB 1.510 20 residues pruned to eliminate duplicates Z: 21 16.551 2.059 0.431 0.409 0.950 0.700 CA 1.454 21 residues pruned to eliminate duplicates Z: 20 29.718 2.077 0.778 0.935 1.000 0.789 CB 1.287 20 residues pruned to eliminate duplicates Z: 17 10.165 1.766 0.772 0.391 0.875 0.750 CB 1.042 17 residues pruned to eliminate duplicates Z: 32 32.930 2.056 0.619 0.677 1.000 0.839 CA 1.509 27 residues pruned to eliminate duplicates Z: 15 12.547 1.931 0.692 0.333 0.929 0.500 CB 1.327 17 residues pruned to eliminate duplicates Z: 17 8.824 1.644 0.498 0.443 0.938 0.688 CB 1.013 12 residues pruned to eliminate duplicates Z: 10 3.171 1.444 0.504 0.260 0.667 0.444 CA 0.961 8 residues pruned to eliminate duplicates Z: 9 5.355 1.733 0.517 0.514 0.750 0.625 CB 0.947 9 residues pruned to eliminate duplicates Z: 14 6.694 1.565 0.729 0.331 0.923 0.462 CB 0.895 11 residues pruned to eliminate duplicates Z: 12 11.335 1.823 0.006 0.905 1.000 0.909 CA 1.326 12 residues pruned to eliminate duplicates Z: 9 6.125 1.601 0.672 0.419 0.750 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 10 10.961 1.679 0.409 0.897 1.000 1.000 CB 1.106 10 residues pruned to eliminate duplicates Z: 6 3.582 1.715 0.298 0.299 0.600 0.400 CA 1.501 Z: 10 5.981 1.667 0.763 0.472 0.778 0.556 CB 0.897 10 residues pruned to eliminate duplicates Z: 7 8.116 1.725 0.308 0.857 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 12 8.210 1.971 0.138 0.526 1.000 0.636 CB 1.075 12 residues pruned to eliminate duplicates Z: 10 15.977 1.891 0.715 0.857 0.889 0.556 CA 1.361 10 residues pruned to eliminate duplicates Z: 9 3.025 1.635 -0.010 0.251 0.750 0.375 CA 1.174 8 residues pruned to eliminate duplicates Z: 8 8.807 1.718 0.754 0.730 1.000 1.000 CA 0.898 8 residues pruned to eliminate duplicates Z: 8 14.941 1.825 0.626 0.887 1.000 0.714 CA 1.372 8 residues pruned to eliminate duplicates Z: 12 15.069 1.811 1.083 0.553 0.909 0.636 CB 1.258 9 residues pruned to eliminate duplicates Z: 7 5.614 1.607 0.438 0.568 1.000 0.833 CB 0.929 6 residues pruned to eliminate duplicates Z: 18 8.617 1.793 0.563 0.333 0.882 0.471 CB 1.014 18 residues pruned to eliminate duplicates Z: 6 4.512 1.325 0.393 0.777 1.000 0.600 CB 0.856 Z: 13 11.525 1.915 0.686 0.431 0.917 0.750 CB 1.207 Z: 16 32.847 2.286 0.737 0.924 0.933 0.867 CB 1.607 16 residues pruned to eliminate duplicates Z: 17 10.842 1.768 0.429 0.391 0.938 0.375 CA 1.284 17 residues pruned to eliminate duplicates Z: 17 11.566 1.783 0.583 0.376 1.000 0.625 CB 1.169 24 residues pruned to eliminate duplicates Z: 10 7.230 1.574 0.942 0.341 0.889 0.444 CA 1.055 10 residues pruned to eliminate duplicates Z: 9 3.856 1.658 0.220 0.461 0.750 0.500 CB 0.936 Z: 28 17.737 1.970 0.655 0.391 0.852 0.481 CB 1.379 28 residues pruned to eliminate duplicates 6 1.602 1.342 0.167 0.293 0.600 0.200 CB 0.962 ? Z: 7 2.271 1.180 0.253 0.397 0.833 0.500 C 0.839 Z: 8 4.792 1.681 0.452 0.514 1.000 0.714 CB 0.732 Z: 16 14.942 1.864 0.735 0.444 0.933 0.400 CB 1.353 16 residues pruned to eliminate duplicates Z: 21 32.201 2.066 0.939 0.911 0.950 0.550 CB 1.341 21 residues pruned to eliminate duplicates Z: 22 18.190 1.883 0.678 0.484 0.905 0.714 CB 1.410 22 residues pruned to eliminate duplicates Z: 6 7.159 1.692 1.153 0.586 0.800 0.800 CA 1.012 6 residues pruned to eliminate duplicates Z: 32 13.635 1.955 0.609 0.328 0.806 0.484 CB 1.167 32 residues pruned to eliminate duplicates Z: 6 3.299 1.497 -0.059 0.408 1.000 0.400 C 1.154 Z: 11 7.400 1.694 0.422 0.540 0.900 0.900 CB 1.037 11 residues pruned to eliminate duplicates Z: 7 8.339 1.784 0.569 0.644 1.000 0.833 CB 1.063 8 residues pruned to eliminate duplicates 8 1.532 1.508 0.397 0.310 0.857 0.429 CB 0.396 ? Z: 6 5.609 1.105 0.875 0.821 1.000 1.000 CB 0.916 Z: 10 4.128 1.695 0.157 0.226 0.889 0.778 CB 1.088 10 residues pruned to eliminate duplicates Z: 9 7.391 2.010 0.370 0.310 1.000 0.500 CA 1.171 9 residues pruned to eliminate duplicates Z: 9 4.250 1.710 0.199 0.381 0.750 0.375 CB 1.109 9 residues pruned to eliminate duplicates Z: 27 22.405 2.078 0.536 0.558 0.923 0.808 CB 1.410 27 residues pruned to eliminate duplicates Z: 20 48.640 2.267 1.244 0.934 1.000 0.632 CB 1.530 20 residues pruned to eliminate duplicates 6 1.690 1.235 0.438 0.234 0.600 0.400 C 0.966 ? Z: 12 3.722 1.867 0.120 0.485 0.727 0.455 CB 0.749 12 residues pruned to eliminate duplicates Z: 12 9.241 1.943 0.425 0.387 0.909 0.636 CB 1.248 13 residues pruned to eliminate duplicates Z: 22 18.660 1.923 0.742 0.512 0.857 0.571 CB 1.401 26 residues pruned to eliminate duplicates 6 0.453 1.272 0.125 0.381 0.600 0.400 CA 0.268 ? Z: 10 5.098 1.721 0.289 0.440 0.667 0.556 CB 1.222 10 residues pruned to eliminate duplicates Z: 9 12.871 2.016 0.719 0.577 1.000 0.750 CB 1.219 9 residues pruned to eliminate duplicates Z: 20 37.268 2.219 0.892 0.903 1.000 0.789 CB 1.451 20 residues pruned to eliminate duplicates Z: 9 6.101 1.542 0.534 0.593 0.875 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 7 3.478 1.525 -0.101 0.693 1.000 0.500 CB 0.868 Z: 11 4.669 1.560 0.183 0.448 0.900 0.500 CB 0.937 11 residues pruned to eliminate duplicates Z: 18 14.769 1.971 0.523 0.502 0.765 0.647 CB 1.558 18 residues pruned to eliminate duplicates Z: 6 4.080 1.678 -0.039 0.593 0.800 0.600 C 1.293 5 residues pruned to eliminate duplicates Z: 14 6.583 1.860 0.223 0.346 0.769 0.462 CA 1.234 14 residues pruned to eliminate duplicates Z: 15 8.859 1.712 0.503 0.440 0.857 0.643 CB 1.141 15 residues pruned to eliminate duplicates Z: 16 9.416 1.635 0.480 0.431 0.867 0.533 CB 1.246 16 residues pruned to eliminate duplicates Z: 6 2.997 1.264 0.626 0.694 1.000 0.800 CB 0.546 Z: 22 9.589 1.606 0.356 0.380 0.857 0.524 CB 1.274 18 residues pruned to eliminate duplicates 7 1.650 1.362 0.167 0.275 0.667 0.500 CA 0.820 ? Z: 9 7.759 2.035 0.461 0.573 0.750 0.625 CB 1.147 9 residues pruned to eliminate duplicates Z: 20 27.097 2.047 0.648 0.799 0.947 0.842 CA 1.497 20 residues pruned to eliminate duplicates Z: 9 4.853 1.631 0.435 0.390 0.750 0.500 CA 1.098 9 residues pruned to eliminate duplicates 11 1.753 1.455 0.093 0.065 0.700 0.500 N 0.882 ? Z: 13 5.549 1.376 0.572 0.421 0.917 0.500 CB 0.877 13 residues pruned to eliminate duplicates Z: 8 8.667 1.722 0.361 0.601 1.000 0.571 CA 1.269 8 residues pruned to eliminate duplicates Z: 13 10.622 1.823 0.402 0.486 1.000 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 22 19.138 1.983 0.672 0.553 0.857 0.667 CB 1.396 22 residues pruned to eliminate duplicates Z: 40 39.185 2.134 0.640 0.668 0.974 0.667 CB 1.576 40 residues pruned to eliminate duplicates Z: 20 38.429 2.242 0.851 0.934 1.000 0.632 CB 1.482 20 residues pruned to eliminate duplicates Z: 12 5.502 1.475 0.687 0.307 0.818 0.273 CB 1.009 12 residues pruned to eliminate duplicates Z: 6 4.818 1.689 -0.047 0.585 1.000 0.600 CA 1.234 6 residues pruned to eliminate duplicates Z: 31 17.942 1.968 0.630 0.400 0.933 0.533 CB 1.216 31 residues pruned to eliminate duplicates Z: 7 5.656 1.552 0.362 0.743 1.000 1.000 CB 0.879 Z: 7 6.643 1.727 0.214 0.701 1.000 1.000 CB 1.077 7 residues pruned to eliminate duplicates Z: 20 11.202 1.858 0.460 0.392 0.895 0.474 CB 1.187 20 residues pruned to eliminate duplicates Z: 18 21.760 2.018 0.527 0.649 1.000 0.647 CA 1.491 18 residues pruned to eliminate duplicates Z: 8 3.693 1.549 0.117 0.355 0.857 0.429 CB 1.101 Z: 6 8.207 1.685 0.631 0.588 1.000 0.600 CA 1.227 6 residues pruned to eliminate duplicates Z: 7 3.316 1.631 0.527 0.361 0.667 0.500 N 0.947 Z: 6 3.059 1.498 0.476 0.299 0.800 0.600 CA 0.967 Z: 16 16.359 2.081 0.842 0.324 0.933 0.467 CB 1.433 16 residues pruned to eliminate duplicates Z: 17 36.166 2.229 0.862 0.932 1.000 0.750 CB 1.521 17 residues pruned to eliminate duplicates Z: 29 34.864 2.060 0.661 0.719 1.000 0.786 CB 1.580 29 residues pruned to eliminate duplicates Z: 13 6.527 1.707 0.478 0.371 0.833 0.333 CB 1.029 13 residues pruned to eliminate duplicates Z: 21 11.501 1.880 0.646 0.390 0.800 0.550 CB 1.167 21 residues pruned to eliminate duplicates Z: 7 8.188 1.607 0.321 0.838 1.000 1.000 CB 1.177 Z: 13 15.810 2.159 0.704 0.402 0.917 0.500 CB 1.500 13 residues pruned to eliminate duplicates Z: 6 7.481 1.809 0.523 0.553 1.000 0.600 CA 1.153 6 residues pruned to eliminate duplicates Z: 13 4.593 1.654 0.024 0.241 0.917 0.333 CB 1.154 13 residues pruned to eliminate duplicates Z: 15 6.969 1.670 0.651 0.213 0.786 0.429 CA 1.205 15 residues pruned to eliminate duplicates Z: 13 8.927 1.905 0.295 0.435 0.833 0.667 CA 1.340 19 residues pruned to eliminate duplicates Z: 11 14.491 1.977 0.656 0.652 1.000 0.800 CB 1.215 11 residues pruned to eliminate duplicates Z: 7 5.988 1.620 0.479 0.641 0.833 0.667 CA 1.072 8 residues pruned to eliminate duplicates Z: 8 8.612 1.693 0.664 0.594 1.000 0.714 CA 1.056 7 residues pruned to eliminate duplicates 6 1.224 1.308 0.361 0.295 0.600 0.400 CB 0.645 ? Z: 7 4.258 1.375 0.113 0.697 1.000 0.500 CB 0.949 Z: 9 5.062 1.658 0.496 0.120 1.000 0.250 CA 1.164 6 residues pruned to eliminate duplicates Z: 13 8.579 1.556 0.301 0.868 1.000 0.833 CB 0.894 13 residues pruned to eliminate duplicates Z: 8 5.594 1.432 0.079 0.810 1.000 0.714 O 1.045 Z: 13 6.842 1.582 0.196 0.375 1.000 0.750 O 1.193 13 residues pruned to eliminate duplicates Z: 7 9.868 1.897 0.310 0.877 1.000 0.833 CA 1.177 7 residues pruned to eliminate duplicates Z: 14 8.500 1.803 0.562 0.403 0.846 0.615 CB 1.095 14 residues pruned to eliminate duplicates Z: 8 5.464 1.650 0.636 0.385 1.000 0.714 CB 0.865 8 residues pruned to eliminate duplicates Z: 12 14.113 1.809 0.625 0.626 0.909 0.636 CB 1.415 12 residues pruned to eliminate duplicates Z: 10 4.041 1.517 0.111 0.417 0.778 0.222 CB 1.120 10 residues pruned to eliminate duplicates Z: 6 3.706 1.549 0.290 0.327 1.000 0.400 CB 1.002 11 residues pruned to eliminate duplicates Z: 7 4.215 1.738 0.622 0.538 0.667 0.667 CB 0.882 Z: 12 15.352 1.894 0.804 0.574 1.000 0.545 CB 1.261 22 residues pruned to eliminate duplicates Z: 16 24.175 2.003 0.509 0.868 1.000 0.933 CB 1.510 16 residues pruned to eliminate duplicates Z: 6 2.211 1.348 0.082 0.300 0.800 0.600 CB 1.060 Z: 26 17.334 1.725 0.661 0.560 0.920 0.640 CB 1.241 26 residues pruned to eliminate duplicates Z: 13 19.372 1.930 0.584 0.747 1.000 0.833 CB 1.467 23 residues pruned to eliminate duplicates Z: 7 2.865 1.329 -0.001 0.434 1.000 0.500 CB 0.943 Z: 6 3.155 1.603 0.021 0.733 1.000 0.600 CB 0.699 Z: 14 7.833 1.652 0.868 0.314 0.769 0.385 CB 1.125 7 residues pruned to eliminate duplicates Z: 7 2.171 1.177 0.223 0.575 0.667 0.500 N 0.859 Z: 9 5.973 1.274 1.190 0.486 1.000 0.500 CA 0.768 Z: 8 2.760 1.394 0.325 0.428 1.000 0.571 CB 0.609 Z: 6 5.475 1.879 0.682 0.521 0.800 0.600 CB 0.949 5 residues pruned to eliminate duplicates Z: 22 23.287 1.922 0.913 0.579 0.905 0.667 CA 1.416 22 residues pruned to eliminate duplicates Z: 20 18.583 2.006 0.904 0.357 1.000 0.579 CA 1.303 20 residues pruned to eliminate duplicates Z: 7 2.193 1.721 -0.377 0.498 0.833 0.333 CB 1.004 4 residues pruned to eliminate duplicates Z: 11 3.107 1.336 0.231 0.290 0.800 0.200 CB 0.945 Z: 10 4.591 1.704 0.474 0.440 0.556 0.556 CA 1.167 10 residues pruned to eliminate duplicates Z: 9 4.091 1.814 0.237 0.422 0.875 0.500 CB 0.799 Z: 6 3.046 1.416 0.891 0.452 0.600 0.400 CB 0.891 Z: 6 6.920 1.649 0.498 0.723 1.000 0.800 CA 1.025 6 residues pruned to eliminate duplicates Z: 6 2.430 1.666 -0.012 0.290 1.000 0.600 CB 0.837 6 residues pruned to eliminate duplicates Z: 29 12.769 1.838 0.619 0.376 0.821 0.607 CB 1.127 29 residues pruned to eliminate duplicates Z: 31 23.074 1.988 0.515 0.677 0.933 0.700 CA 1.274 31 residues pruned to eliminate duplicates Z: 26 17.313 1.966 0.457 0.508 0.920 0.600 CB 1.303 26 residues pruned to eliminate duplicates Z: 8 4.614 1.546 0.263 0.295 1.000 0.571 CA 1.125 8 residues pruned to eliminate duplicates Z: 10 2.509 1.521 0.363 0.270 0.667 0.333 N 0.786 Z: 10 8.742 1.889 0.508 0.462 0.889 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 11 10.841 1.973 0.446 0.412 1.000 0.400 CB 1.318 11 residues pruned to eliminate duplicates Z: 14 16.312 1.799 0.767 0.633 0.846 0.769 CA 1.484 14 residues pruned to eliminate duplicates Z: 7 2.792 1.523 -0.057 0.405 0.833 0.667 CB 1.051 Z: 33 24.400 2.001 0.862 0.420 0.875 0.469 CA 1.437 33 residues pruned to eliminate duplicates Z: 13 5.530 1.550 0.639 0.351 0.833 0.333 CA 0.887 9 residues pruned to eliminate duplicates Z: 6 6.564 1.832 0.199 0.437 1.000 0.800 CB 1.426 6 residues pruned to eliminate duplicates Z: 8 3.242 1.680 0.197 0.307 0.714 0.571 CB 1.058 8 residues pruned to eliminate duplicates Z: 20 25.708 1.970 0.715 0.917 0.947 0.684 CA 1.300 20 residues pruned to eliminate duplicates Z: 10 9.331 1.962 0.675 0.362 0.889 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 3.687 1.522 0.073 0.442 1.000 0.400 CA 1.072 Z: 6 5.381 1.453 0.456 0.448 1.000 1.000 CA 1.199 Z: 7 4.172 1.390 0.165 0.457 1.000 0.667 CA 1.099 7 residues pruned to eliminate duplicates Z: 6 3.823 1.375 0.426 0.703 1.000 0.600 CA 0.725 9 residues pruned to eliminate duplicates Z: 15 11.249 1.920 0.614 0.495 0.786 0.571 CA 1.241 15 residues pruned to eliminate duplicates Z: 21 35.289 2.034 0.985 0.932 1.000 0.550 CB 1.364 21 residues pruned to eliminate duplicates Z: 14 14.086 1.887 0.624 0.402 0.923 0.692 CB 1.531 14 residues pruned to eliminate duplicates Z: 10 7.236 1.772 0.293 0.451 0.889 0.556 CB 1.246 10 residues pruned to eliminate duplicates Z: 7 3.375 1.494 0.201 0.597 0.833 0.500 CB 0.840 Z: 7 2.925 1.412 0.313 0.468 0.667 0.667 CA 0.998 8 1.430 1.546 -0.002 0.272 0.714 0.143 CB 0.636 ? Z: 27 12.482 1.828 0.485 0.429 0.885 0.577 CB 1.096 27 residues pruned to eliminate duplicates Z: 23 10.782 1.747 0.288 0.297 0.955 0.545 CB 1.343 23 residues pruned to eliminate duplicates Z: 18 12.729 1.762 0.758 0.482 0.882 0.588 CB 1.151 18 residues pruned to eliminate duplicates Z: 6 2.433 1.358 0.207 0.451 1.000 1.000 N 0.698 Z: 24 18.840 1.999 0.660 0.468 0.870 0.609 CA 1.406 24 residues pruned to eliminate duplicates Z: 8 2.968 1.386 0.372 0.221 0.857 0.286 CB 0.954 Z: 12 9.819 1.854 0.592 0.409 0.818 0.455 CB 1.348 12 residues pruned to eliminate duplicates Z: 10 11.193 1.860 0.883 0.527 0.889 0.889 CA 1.168 10 residues pruned to eliminate duplicates Z: 11 10.072 1.856 0.540 0.524 1.000 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 6 4.230 1.440 0.791 0.385 1.000 0.400 CA 0.829 Z: 11 12.958 1.500 0.504 0.923 1.000 1.000 O 1.277 11 residues pruned to eliminate duplicates Z: 7 4.636 1.213 0.410 0.675 1.000 0.500 CA 0.942 Z: 8 4.082 1.266 0.466 0.291 1.000 0.429 CA 1.051 8 residues pruned to eliminate duplicates Z: 6 3.699 1.753 0.047 0.389 1.000 1.000 CB 1.014 6 residues pruned to eliminate duplicates 9 1.953 1.397 -0.122 0.202 0.750 0.375 CA 1.070 ? Z: 32 32.731 1.983 0.653 0.704 0.968 0.774 CB 1.539 32 residues pruned to eliminate duplicates Z: 11 11.698 1.770 0.631 0.599 0.900 0.800 CB 1.296 10 residues pruned to eliminate duplicates Z: 7 4.931 1.603 1.029 0.412 0.833 0.500 CB 0.814 7 1.496 1.332 0.303 0.110 0.667 0.333 CA 0.866 ? Z: 39 31.749 1.970 0.523 0.767 0.947 0.789 CA 1.430 39 residues pruned to eliminate duplicates Z: 6 2.015 1.353 0.322 0.466 0.800 0.400 CA 0.652 Z: 22 26.038 1.925 0.802 0.808 0.952 0.857 CB 1.315 22 residues pruned to eliminate duplicates Z: 11 6.772 1.973 0.393 0.326 0.800 0.600 CB 1.180 11 residues pruned to eliminate duplicates Z: 8 4.077 1.440 0.130 0.479 0.857 0.571 CA 1.128 Z: 28 19.958 2.107 0.947 0.243 0.889 0.444 CB 1.417 28 residues pruned to eliminate duplicates Z: 15 13.544 1.806 0.599 0.433 0.929 0.571 CA 1.446 16 residues pruned to eliminate duplicates Z: 7 2.740 1.353 0.215 0.312 0.833 0.333 CA 1.005 Z: 23 15.553 1.796 0.771 0.396 0.864 0.455 CA 1.347 46 residues pruned to eliminate duplicates Z: 32 21.396 2.043 0.645 0.404 0.903 0.516 CB 1.400 32 residues pruned to eliminate duplicates Z: 11 6.415 1.848 0.425 0.397 0.800 0.800 CB 1.073 6 1.656 1.462 -0.118 0.470 0.600 0.400 CA 0.987 ? Z: 15 6.858 1.722 0.340 0.447 0.786 0.571 CB 1.067 15 residues pruned to eliminate duplicates Z: 14 10.099 1.880 0.217 0.516 1.000 0.769 CA 1.205 14 residues pruned to eliminate duplicates Z: 15 9.925 1.640 0.347 0.385 0.929 0.429 CB 1.461 15 residues pruned to eliminate duplicates Z: 13 20.865 1.921 0.591 0.931 1.000 1.000 CA 1.377 13 residues pruned to eliminate duplicates Z: 8 7.581 1.811 0.456 0.772 0.857 0.429 CB 0.996 8 residues pruned to eliminate duplicates Z: 10 5.320 1.431 0.356 0.421 0.889 0.444 CB 1.116 6 residues pruned to eliminate duplicates Z: 8 7.186 1.595 0.273 0.703 1.000 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 28 14.598 1.789 0.886 0.354 0.852 0.519 CA 1.145 28 residues pruned to eliminate duplicates Z: 19 11.536 1.722 0.551 0.471 0.944 0.444 CB 1.111 19 residues pruned to eliminate duplicates Z: 12 8.148 1.754 0.340 0.401 0.909 0.545 CA 1.276 12 residues pruned to eliminate duplicates Z: 7 6.115 1.532 0.807 0.448 0.833 0.500 N 1.141 Z: 8 5.770 1.595 0.299 0.453 0.857 0.571 CA 1.288 8 residues pruned to eliminate duplicates Z: 6 5.903 1.703 0.473 0.778 1.000 1.000 CB 0.823 Z: 9 11.668 1.687 0.619 0.871 1.000 1.000 CA 1.102 9 residues pruned to eliminate duplicates Z: 11 7.754 1.633 0.269 0.684 0.900 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 33 33.125 2.013 0.610 0.702 1.000 0.844 CB 1.503 33 residues pruned to eliminate duplicates Z: 41 19.023 1.823 0.608 0.452 0.875 0.525 CA 1.232 36 residues pruned to eliminate duplicates Z: 29 14.337 1.974 0.561 0.335 0.929 0.536 CB 1.134 29 residues pruned to eliminate duplicates 7 1.443 1.245 0.573 0.242 0.500 0.500 CB 0.811 ? Z: 29 17.572 1.891 0.702 0.386 0.893 0.500 CB 1.305 44 residues pruned to eliminate duplicates Z: 6 6.287 1.845 0.451 0.444 0.800 0.600 CA 1.390 6 residues pruned to eliminate duplicates Z: 10 3.913 1.694 0.101 0.409 0.889 0.333 CB 0.865 17 residues pruned to eliminate duplicates 7 1.477 1.470 -0.292 0.440 0.833 0.333 CB 0.740 ? Z: 6 3.538 1.600 0.529 0.442 0.600 0.600 N 1.145 Z: 17 9.526 1.822 0.303 0.401 0.875 0.500 CB 1.272 17 residues pruned to eliminate duplicates Z: 8 3.351 1.547 0.155 0.320 0.714 0.714 CB 1.209 8 residues pruned to eliminate duplicates Z: 23 12.238 1.860 0.590 0.299 0.727 0.500 CB 1.519 23 residues pruned to eliminate duplicates Z: 6 3.534 1.828 0.333 0.476 0.800 0.400 CB 0.831 Z: 7 4.056 1.274 0.684 0.367 1.000 0.500 CB 0.890 Z: 30 23.969 2.032 0.638 0.434 0.931 0.517 CA 1.538 30 residues pruned to eliminate duplicates Z: 20 12.815 1.756 0.503 0.451 0.895 0.632 CA 1.310 20 residues pruned to eliminate duplicates 6 1.586 1.383 0.068 0.285 0.600 0.200 CB 1.020 ? Z: 7 3.717 1.472 0.323 0.368 0.833 0.500 CB 1.077 Z: 8 2.057 1.089 0.697 0.245 0.714 0.571 CB 0.791 Z: 9 7.814 1.734 0.401 0.585 0.875 0.750 CB 1.198 9 residues pruned to eliminate duplicates Z: 20 30.073 2.059 0.882 0.936 0.947 0.737 CB 1.309 20 residues pruned to eliminate duplicates Z: 15 14.285 2.003 0.827 0.400 0.786 0.500 CB 1.474 16 residues pruned to eliminate duplicates Z: 7 3.311 1.618 -0.051 0.345 0.833 0.500 C 1.249 Z: 7 4.417 1.820 0.353 0.565 0.833 0.667 CB 0.825 7 residues pruned to eliminate duplicates Z: 12 10.545 1.908 0.659 0.386 0.909 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 18 3.691 1.735 0.424 0.170 0.588 0.353 CB 0.920 18 residues pruned to eliminate duplicates Z: 7 3.151 1.458 0.225 0.400 0.833 0.333 CB 0.960 6 residues pruned to eliminate duplicates Z: 34 19.269 1.955 0.620 0.361 0.848 0.333 CA 1.451 34 residues pruned to eliminate duplicates Z: 6 5.108 1.506 1.185 0.458 0.800 0.600 CB 0.906 Z: 25 19.052 1.935 0.656 0.371 0.958 0.458 CA 1.453 25 residues pruned to eliminate duplicates Z: 7 8.935 1.791 0.727 0.694 1.000 0.667 CA 0.988 8 residues pruned to eliminate duplicates Z: 17 6.210 1.803 0.391 0.244 0.688 0.438 CA 1.211 17 residues pruned to eliminate duplicates Z: 6 2.655 1.433 -0.028 0.512 1.000 0.600 C 0.842 Z: 12 5.504 1.780 0.355 0.216 0.909 0.364 CB 1.057 12 residues pruned to eliminate duplicates Z: 11 8.872 1.787 0.677 0.458 0.800 0.600 CB 1.222 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 8.551 1.781 1.034 0.416 0.778 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 6 3.087 1.524 0.502 0.423 0.800 0.400 CB 0.817 6 1.325 1.896 0.465 0.232 0.400 0.200 CB 0.728 ? Z: 6 2.819 1.843 0.731 0.100 0.600 0.200 CB 1.097 Z: 8 8.808 2.052 1.017 0.384 0.714 0.429 CB 1.273 5 residues pruned to eliminate duplicates Z: 6 4.983 1.287 0.952 0.462 1.000 1.000 N 0.922 6 residues pruned to eliminate duplicates Z: 26 13.621 1.881 0.838 0.262 0.800 0.640 CB 1.293 35 residues pruned to eliminate duplicates Z: 6 5.911 1.591 0.498 0.444 1.000 0.600 N 1.175 Z: 7 7.920 1.552 1.283 0.499 1.000 0.667 CB 0.914 13 residues pruned to eliminate duplicates Z: 18 12.653 1.853 0.573 0.475 1.000 0.529 CB 1.080 18 residues pruned to eliminate duplicates Z: 21 12.768 1.791 0.623 0.357 0.950 0.400 CA 1.207 21 residues pruned to eliminate duplicates Z: 18 14.530 1.914 0.688 0.362 1.000 0.471 CB 1.265 18 residues pruned to eliminate duplicates Z: 20 12.187 1.853 0.673 0.314 1.000 0.421 CB 1.107 20 residues pruned to eliminate duplicates Z: 28 12.816 1.816 0.665 0.317 0.889 0.370 CB 1.123 28 residues pruned to eliminate duplicates Z: 12 11.083 1.994 0.754 0.310 0.818 0.455 CA 1.441 12 residues pruned to eliminate duplicates Z: 13 10.305 1.966 0.745 0.309 0.750 0.583 CA 1.430 13 residues pruned to eliminate duplicates Z: 10 7.199 1.914 0.571 0.324 0.778 0.556 CB 1.246 10 residues pruned to eliminate duplicates Z: 17 13.406 1.866 0.732 0.384 1.000 0.438 CB 1.173 17 residues pruned to eliminate duplicates Z: 18 13.785 1.898 0.677 0.371 0.941 0.529 CB 1.281 18 residues pruned to eliminate duplicates Z: 22 13.940 1.813 0.654 0.328 0.952 0.429 CA 1.287 22 residues pruned to eliminate duplicates Z: 18 13.915 1.845 0.553 0.369 1.000 0.412 CB 1.355 18 residues pruned to eliminate duplicates Z: 24 11.439 1.892 0.440 0.388 0.870 0.565 CB 1.134 24 residues pruned to eliminate duplicates Z: 34 15.735 1.930 0.683 0.351 0.818 0.545 CB 1.210 34 residues pruned to eliminate duplicates Z: 26 18.302 1.838 0.885 0.395 0.960 0.520 CB 1.229 26 residues pruned to eliminate duplicates Z: 17 15.300 1.953 0.716 0.413 0.875 0.562 CA 1.428 17 residues pruned to eliminate duplicates Z: 18 13.125 1.969 0.606 0.317 0.882 0.412 CB 1.395 18 residues pruned to eliminate duplicates Z: 30 15.581 1.969 0.642 0.367 0.793 0.483 CB 1.302 30 residues pruned to eliminate duplicates Z: 29 19.195 2.021 0.786 0.375 0.821 0.464 CB 1.399 29 residues pruned to eliminate duplicates Z: 44 15.731 1.918 0.603 0.347 0.814 0.465 CB 1.131 44 residues pruned to eliminate duplicates Z: 26 18.620 1.993 0.624 0.442 0.880 0.640 CB 1.388 26 residues pruned to eliminate duplicates Z: 18 10.376 1.897 0.226 0.440 0.882 0.706 CB 1.305 18 residues pruned to eliminate duplicates Z: 12 16.022 2.100 0.613 0.491 1.000 0.364 CB 1.439 12 residues pruned to eliminate duplicates Z: 18 12.518 1.843 0.790 0.402 0.824 0.412 CB 1.239 18 residues pruned to eliminate duplicates Z: 15 9.788 1.973 0.678 0.322 0.786 0.429 CB 1.224 15 residues pruned to eliminate duplicates Z: 33 16.811 1.994 0.549 0.359 0.875 0.500 CB 1.280 33 residues pruned to eliminate duplicates Z: 34 18.445 1.980 0.641 0.405 0.909 0.606 CB 1.201 34 residues pruned to eliminate duplicates Z: 16 13.512 1.961 0.561 0.409 0.933 0.467 CA 1.344 16 residues pruned to eliminate duplicates Z: 15 7.269 1.977 0.445 0.298 0.714 0.500 CB 1.193 15 residues pruned to eliminate duplicates Z: 22 13.964 1.765 0.598 0.484 0.905 0.714 CB 1.214 22 residues pruned to eliminate duplicates Z: 8 8.567 1.497 0.905 0.494 1.000 0.429 CA 1.142 8 residues pruned to eliminate duplicates Z: 21 15.493 1.843 0.499 0.522 0.950 0.650 CB 1.291 21 residues pruned to eliminate duplicates Z: 19 11.689 1.739 0.456 0.453 0.944 0.722 CA 1.209 19 residues pruned to eliminate duplicates Z: 21 14.975 1.868 0.479 0.528 0.900 0.700 CB 1.309 21 residues pruned to eliminate duplicates Z: 19 13.292 1.835 0.580 0.457 0.833 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 21 15.329 1.849 0.504 0.491 0.950 0.700 CB 1.310 21 residues pruned to eliminate duplicates Z: 28 16.928 1.913 0.510 0.392 0.889 0.667 CB 1.423 29 residues pruned to eliminate duplicates Z: 6 2.618 1.536 0.573 0.262 0.800 0.600 CA 0.794 6 residues pruned to eliminate duplicates Z: 6 4.203 1.751 0.325 0.551 1.000 0.800 CB 0.772 6 residues pruned to eliminate duplicates Z: 7 3.303 1.682 0.317 0.480 0.833 0.833 CB 0.745 7 residues pruned to eliminate duplicates Z: 7 4.511 1.694 0.731 0.401 0.833 0.500 CB 0.836 Z: 7 5.529 1.432 0.328 0.519 1.000 1.000 CA 1.165 7 residues pruned to eliminate duplicates Z: 8 5.550 1.707 0.243 0.417 0.714 0.429 O 1.509 8 residues pruned to eliminate duplicates Z: 8 5.670 1.700 0.412 0.412 0.714 0.429 O 1.371 8 residues pruned to eliminate duplicates Z: 12 6.311 1.682 0.184 0.369 0.909 0.455 CA 1.209 12 residues pruned to eliminate duplicates Z: 7 3.377 1.694 0.348 0.426 0.667 0.500 CA 0.977 7 residues pruned to eliminate duplicates Z: 6 14.004 1.973 0.818 0.725 1.000 1.000 CA 1.425 6 residues pruned to eliminate duplicates Z: 6 2.918 1.621 0.857 0.326 1.000 0.800 CA 0.525 6 residues pruned to eliminate duplicates Z: 11 6.302 1.614 0.878 0.304 0.900 0.500 CA 0.909 11 residues pruned to eliminate duplicates Z: 24 29.256 2.157 0.445 0.737 1.000 0.913 CA 1.582 24 residues pruned to eliminate duplicates Z: 30 28.380 2.011 0.572 0.667 0.966 0.828 CA 1.480 30 residues pruned to eliminate duplicates Z: 23 31.589 2.185 0.527 0.741 1.000 0.864 CA 1.627 23 residues pruned to eliminate duplicates Z: 29 31.111 2.045 0.500 0.764 1.000 0.786 CA 1.517 29 residues pruned to eliminate duplicates Z: 29 37.113 2.100 0.763 0.774 0.964 0.857 CB 1.542 40 residues pruned to eliminate duplicates Z: 22 22.467 2.062 0.210 0.815 1.000 0.857 CB 1.494 22 residues pruned to eliminate duplicates Z: 24 31.492 2.170 0.549 0.739 1.000 0.870 CA 1.577 24 residues pruned to eliminate duplicates Z: 26 33.893 2.176 0.709 0.707 0.960 0.720 CB 1.574 26 residues pruned to eliminate duplicates Z: 30 37.393 2.086 0.708 0.766 0.966 0.828 CB 1.594 30 residues pruned to eliminate duplicates Z: 23 24.997 2.140 0.578 0.586 0.955 0.818 CA 1.522 23 residues pruned to eliminate duplicates Z: 30 37.830 2.080 0.844 0.755 0.966 0.828 CA 1.511 29 residues pruned to eliminate duplicates Z: 21 36.358 2.097 0.715 0.934 1.000 0.850 CB 1.577 21 residues pruned to eliminate duplicates Z: 30 39.768 2.091 0.931 0.777 0.966 0.793 CB 1.483 30 residues pruned to eliminate duplicates Z: 22 37.410 2.050 0.881 0.917 1.000 0.810 CB 1.495 22 residues pruned to eliminate duplicates Z: 33 35.647 1.992 0.811 0.727 0.969 0.719 CB 1.469 33 residues pruned to eliminate duplicates Z: 31 44.035 2.072 1.022 0.753 1.000 0.733 CB 1.532 30 residues pruned to eliminate duplicates Z: 21 36.515 2.088 0.832 0.932 1.000 0.800 CB 1.491 21 residues pruned to eliminate duplicates Z: 25 38.528 2.193 0.786 0.739 1.000 0.708 CB 1.621 25 residues pruned to eliminate duplicates Z: 31 32.398 2.070 0.718 0.723 0.933 0.633 CB 1.457 31 residues pruned to eliminate duplicates Z: 33 36.370 2.039 0.868 0.729 0.938 0.656 CB 1.465 33 residues pruned to eliminate duplicates Z: 27 44.981 2.150 0.980 0.812 1.000 0.769 CB 1.580 27 residues pruned to eliminate duplicates Z: 43 31.986 1.923 0.742 0.674 0.929 0.690 CB 1.351 31 residues pruned to eliminate duplicates Z: 21 37.844 2.047 0.912 0.947 1.000 0.550 CB 1.495 21 residues pruned to eliminate duplicates Z: 28 38.588 2.112 0.851 0.794 0.963 0.741 CB 1.524 28 residues pruned to eliminate duplicates Z: 29 38.230 2.086 0.891 0.771 0.964 0.786 CB 1.495 29 residues pruned to eliminate duplicates Z: 10 11.907 1.905 0.470 0.624 0.889 0.778 CA 1.419 10 residues pruned to eliminate duplicates Z: 10 14.273 1.955 0.496 0.703 1.000 0.778 CA 1.352 10 residues pruned to eliminate duplicates Z: 11 9.904 1.768 0.457 0.625 0.800 0.700 CA 1.352 11 residues pruned to eliminate duplicates Z: 11 13.500 1.879 0.514 0.808 0.900 0.800 CB 1.275 11 residues pruned to eliminate duplicates Z: 11 8.922 1.961 0.701 0.432 0.900 0.600 CB 1.008 11 residues pruned to eliminate duplicates Z: 11 10.695 2.036 0.770 0.469 0.800 0.700 CB 1.210 12 residues pruned to eliminate duplicates Z: 6 7.289 1.753 1.425 0.280 0.800 0.600 CA 1.229 6 residues pruned to eliminate duplicates Z: 11 12.690 1.957 0.555 0.499 1.000 0.600 CA 1.320 11 residues pruned to eliminate duplicates Z: 7 5.802 1.561 0.595 0.413 1.000 0.333 N 1.042 7 residues pruned to eliminate duplicates Z: 35 37.655 2.101 0.689 0.652 0.971 0.706 CB 1.627 35 residues pruned to eliminate duplicates Z: 36 32.131 2.027 0.783 0.655 0.886 0.771 CB 1.468 36 residues pruned to eliminate duplicates Z: 41 32.526 1.962 0.695 0.659 0.900 0.700 CB 1.482 41 residues pruned to eliminate duplicates Z: 11 9.665 1.922 0.671 0.365 0.900 0.600 CA 1.222 11 residues pruned to eliminate duplicates Z: 13 7.665 1.719 0.719 0.330 0.667 0.500 C 1.354 13 residues pruned to eliminate duplicates Z: 35 33.800 2.096 0.758 0.632 0.941 0.735 CB 1.477 35 residues pruned to eliminate duplicates Z: 40 33.353 2.035 0.638 0.582 0.949 0.590 CB 1.562 40 residues pruned to eliminate duplicates Z: 25 19.464 2.000 0.799 0.348 0.875 0.500 CB 1.487 25 residues pruned to eliminate duplicates Z: 33 33.535 2.007 0.612 0.716 1.000 0.844 CB 1.508 33 residues pruned to eliminate duplicates Z: 28 22.602 2.009 0.514 0.580 0.889 0.667 CA 1.490 28 residues pruned to eliminate duplicates Z: 26 30.636 2.048 0.744 0.700 0.960 0.680 CB 1.489 26 residues pruned to eliminate duplicates Z: 31 40.404 2.028 0.876 0.775 0.967 0.733 CA 1.573 42 residues pruned to eliminate duplicates Z: 20 30.097 2.099 0.672 0.919 1.000 0.895 CB 1.387 20 residues pruned to eliminate duplicates Z: 23 28.288 2.124 0.690 0.628 0.955 0.682 CB 1.560 23 residues pruned to eliminate duplicates Z: 34 30.530 2.038 0.713 0.622 0.939 0.727 CB 1.444 34 residues pruned to eliminate duplicates Z: 51 37.531 2.106 0.783 0.504 0.940 0.620 CB 1.497 51 residues pruned to eliminate duplicates Z: 27 37.684 2.133 0.690 0.712 1.000 0.885 CA 1.692 27 residues pruned to eliminate duplicates Z: 32 23.896 1.955 0.485 0.651 0.903 0.677 CA 1.422 32 residues pruned to eliminate duplicates Z: 29 28.868 2.011 0.777 0.666 0.929 0.643 CA 1.410 29 residues pruned to eliminate duplicates Z: 41 34.877 1.996 0.806 0.634 0.925 0.575 CB 1.458 41 residues pruned to eliminate duplicates Z: 39 39.081 2.074 0.766 0.644 0.974 0.763 CB 1.554 39 residues pruned to eliminate duplicates Z: 22 29.601 2.097 0.808 0.720 0.905 0.571 CB 1.543 22 residues pruned to eliminate duplicates Z: 32 33.374 1.950 0.850 0.688 0.935 0.645 CB 1.495 32 residues pruned to eliminate duplicates Z: 64 41.301 2.093 0.759 0.492 0.937 0.603 CB 1.521 39 residues pruned to eliminate duplicates Z: 15 26.144 2.209 0.915 0.730 0.929 0.714 CB 1.447 15 residues pruned to eliminate duplicates Z: 59 36.742 2.099 0.720 0.461 0.914 0.517 CB 1.522 59 residues pruned to eliminate duplicates Z: 56 41.026 2.128 0.762 0.519 0.945 0.655 CB 1.531 56 residues pruned to eliminate duplicates Z: 30 27.722 2.188 0.714 0.445 0.931 0.552 CB 1.560 30 residues pruned to eliminate duplicates Z: 31 29.973 2.146 0.811 0.432 1.000 0.667 CA 1.511 31 residues pruned to eliminate duplicates Z: 31 23.359 2.126 0.597 0.434 0.900 0.567 CB 1.494 31 residues pruned to eliminate duplicates Z: 25 19.863 2.108 0.887 0.271 0.917 0.375 CA 1.443 25 residues pruned to eliminate duplicates Z: 31 24.606 2.148 0.643 0.423 0.933 0.533 CB 1.478 31 residues pruned to eliminate duplicates Z: 57 28.889 2.044 0.623 0.392 0.893 0.589 CB 1.461 57 residues pruned to eliminate duplicates Z: 56 40.276 2.116 0.841 0.504 0.909 0.491 CB 1.527 56 residues pruned to eliminate duplicates Z: 30 26.301 2.189 0.731 0.396 0.931 0.483 CB 1.545 30 residues pruned to eliminate duplicates Z: 33 22.809 2.110 0.714 0.374 0.906 0.500 CB 1.408 33 residues pruned to eliminate duplicates Z: 33 23.356 2.072 0.809 0.412 0.906 0.562 CB 1.333 33 residues pruned to eliminate duplicates Z: 59 37.292 2.094 0.737 0.480 0.897 0.534 CB 1.532 59 residues pruned to eliminate duplicates Z: 31 21.848 2.097 0.701 0.427 0.900 0.567 CB 1.340 31 residues pruned to eliminate duplicates Z: 33 20.707 2.066 0.709 0.362 0.844 0.438 CB 1.425 33 residues pruned to eliminate duplicates Z: 62 39.876 2.131 0.817 0.460 0.934 0.656 CB 1.470 62 residues pruned to eliminate duplicates Z: 31 24.197 2.095 0.753 0.407 0.867 0.467 CB 1.531 31 residues pruned to eliminate duplicates Z: 21 17.495 2.169 0.725 0.310 0.850 0.550 CB 1.519 21 residues pruned to eliminate duplicates Z: 32 22.045 2.113 0.678 0.375 0.871 0.516 CA 1.465 32 residues pruned to eliminate duplicates Z: 23 20.674 2.110 0.650 0.443 0.909 0.455 CA 1.478 24 residues pruned to eliminate duplicates Z: 7 6.807 1.510 0.626 0.547 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 21 23.861 2.234 0.932 0.355 0.950 0.650 CA 1.521 21 residues pruned to eliminate duplicates Z: 33 21.655 2.064 0.722 0.358 0.906 0.406 CB 1.385 33 residues pruned to eliminate duplicates Z: 24 18.378 1.994 0.652 0.441 0.913 0.478 CA 1.354 24 residues pruned to eliminate duplicates Z: 33 21.169 2.032 0.654 0.417 0.844 0.438 CB 1.440 33 residues pruned to eliminate duplicates Z: 32 24.094 2.106 0.662 0.410 0.903 0.516 CA 1.504 32 residues pruned to eliminate duplicates Z: 30 24.133 2.161 0.799 0.366 0.897 0.621 CB 1.484 30 residues pruned to eliminate duplicates Z: 16 14.479 1.915 0.591 0.621 0.867 0.667 CB 1.264 16 residues pruned to eliminate duplicates Z: 32 25.010 2.104 0.818 0.390 0.871 0.548 CB 1.515 32 residues pruned to eliminate duplicates Z: 26 26.177 2.142 0.930 0.462 0.920 0.640 CB 1.432 26 residues pruned to eliminate duplicates Z: 33 24.886 1.988 0.695 0.439 0.938 0.531 CA 1.482 33 residues pruned to eliminate duplicates Z: 46 31.776 1.955 0.750 0.533 0.933 0.622 CB 1.437 46 residues pruned to eliminate duplicates Z: 50 28.067 1.920 0.745 0.453 0.918 0.490 CA 1.368 50 residues pruned to eliminate duplicates Z: 44 34.842 1.969 0.942 0.537 0.907 0.651 CA 1.478 44 residues pruned to eliminate duplicates Z: 32 28.843 2.042 0.952 0.416 0.935 0.613 CB 1.516 33 residues pruned to eliminate duplicates Z: 7 2.858 1.621 0.441 0.158 0.667 0.000 CA 1.139 7 residues pruned to eliminate duplicates Z: 18 17.380 2.113 0.897 0.352 0.824 0.588 CA 1.499 18 residues pruned to eliminate duplicates Z: 32 25.222 2.042 0.828 0.437 0.871 0.581 CA 1.487 32 residues pruned to eliminate duplicates Z: 23 19.534 1.986 0.794 0.479 0.864 0.545 CA 1.383 23 residues pruned to eliminate duplicates Z: 29 22.128 2.007 0.806 0.413 0.893 0.607 CA 1.415 29 residues pruned to eliminate duplicates Z: 30 27.632 1.988 1.035 0.470 0.931 0.586 CA 1.405 30 residues pruned to eliminate duplicates Z: 31 27.235 2.065 1.004 0.407 0.900 0.600 CA 1.472 31 residues pruned to eliminate duplicates Z: 44 31.229 1.912 0.870 0.544 0.930 0.581 CA 1.371 44 residues pruned to eliminate duplicates Z: 34 28.161 2.013 0.894 0.429 0.939 0.636 CA 1.474 34 residues pruned to eliminate duplicates Z: 13 11.379 1.717 0.539 0.634 0.917 0.583 CA 1.196 13 residues pruned to eliminate duplicates Z: 32 31.696 2.057 0.967 0.472 0.968 0.516 CB 1.495 32 residues pruned to eliminate duplicates Z: 9 12.229 1.709 0.732 0.775 1.000 0.750 CA 1.145 9 residues pruned to eliminate duplicates Z: 16 17.973 1.902 0.834 0.507 0.933 0.600 CA 1.415 16 residues pruned to eliminate duplicates Z: 31 30.199 2.085 0.931 0.429 0.967 0.633 CA 1.525 31 residues pruned to eliminate duplicates Z: 17 22.652 2.016 0.822 0.566 0.938 0.438 CA 1.543 18 residues pruned to eliminate duplicates Z: 9 12.967 1.873 0.545 0.759 1.000 0.750 CA 1.258 9 residues pruned to eliminate duplicates Z: 14 14.107 1.793 0.739 0.492 0.923 0.385 CA 1.370 12 residues pruned to eliminate duplicates Z: 10 15.642 1.899 0.601 0.624 1.000 0.222 CA 1.526 11 residues pruned to eliminate duplicates Z: 6 5.070 1.642 0.486 0.370 1.000 0.800 CA 1.068 13 residues pruned to eliminate duplicates Z: 7 3.321 1.586 0.207 0.482 0.833 0.667 CA 0.866 Z: 6 4.370 1.737 0.245 0.478 0.600 0.200 CA 1.540 6 residues pruned to eliminate duplicates Z: 22 7.326 1.754 0.490 0.273 0.762 0.571 CB 1.039 22 residues pruned to eliminate duplicates Z: 24 11.985 1.734 0.439 0.349 0.913 0.435 CB 1.293 37 residues pruned to eliminate duplicates Z: 6 5.929 1.782 0.383 0.501 0.800 0.600 N 1.344 9 residues pruned to eliminate duplicates Z: 7 7.551 1.853 0.345 0.516 1.000 0.667 CA 1.217 7 residues pruned to eliminate duplicates Z: 20 11.569 1.768 0.556 0.308 0.895 0.526 CA 1.336 24 residues pruned to eliminate duplicates Z: 6 4.742 1.627 0.663 0.417 1.000 0.800 CA 0.855 6 residues pruned to eliminate duplicates Z: 13 8.859 1.594 0.560 0.492 1.000 0.417 CA 1.036 13 residues pruned to eliminate duplicates Z: 6 2.557 1.603 0.425 0.229 0.600 0.000 O 1.146 5 residues pruned to eliminate duplicates Z: 8 4.123 1.714 0.335 0.428 0.714 0.429 CA 1.028 8 residues pruned to eliminate duplicates Z: 17 12.765 1.824 0.475 0.368 0.938 0.562 CA 1.457 14 residues pruned to eliminate duplicates Z: 6 6.155 1.754 0.855 0.486 1.000 0.800 CA 0.858 6 residues pruned to eliminate duplicates Z: 15 8.554 1.806 0.522 0.319 0.786 0.571 CA 1.293 15 residues pruned to eliminate duplicates Z: 20 11.108 1.800 0.497 0.343 0.895 0.421 CB 1.255 20 residues pruned to eliminate duplicates Z: 41 17.308 1.938 0.564 0.327 0.875 0.600 CB 1.247 41 residues pruned to eliminate duplicates Z: 22 13.150 1.775 0.599 0.305 0.952 0.571 CB 1.319 22 residues pruned to eliminate duplicates Z: 15 11.128 1.766 0.522 0.369 0.857 0.500 CB 1.486 15 residues pruned to eliminate duplicates Z: 14 13.432 1.813 0.602 0.415 0.923 0.615 C 1.518 14 residues pruned to eliminate duplicates Z: 12 8.113 1.848 0.278 0.426 0.818 0.636 CB 1.368 12 residues pruned to eliminate duplicates 6 1.936 1.363 0.535 0.358 0.800 0.600 CA 0.603 ? Z: 9 3.564 1.599 0.323 0.385 0.750 0.625 CB 0.898 9 residues pruned to eliminate duplicates Z: 18 9.942 1.963 0.386 0.390 0.882 0.647 CB 1.128 18 residues pruned to eliminate duplicates Z: 18 8.635 1.878 0.263 0.394 0.882 0.588 CB 1.120 18 residues pruned to eliminate duplicates Z: 23 11.902 1.976 0.577 0.345 0.818 0.545 CB 1.178 23 residues pruned to eliminate duplicates Z: 32 16.751 1.921 0.525 0.514 0.903 0.645 CB 1.122 27 residues pruned to eliminate duplicates Z: 27 15.660 1.945 0.466 0.488 0.923 0.769 CB 1.181 27 residues pruned to eliminate duplicates Z: 27 16.271 2.005 0.553 0.485 0.923 0.692 CB 1.128 27 residues pruned to eliminate duplicates Z: 27 17.584 1.981 0.550 0.485 0.962 0.654 CB 1.186 27 residues pruned to eliminate duplicates Z: 23 20.531 2.064 0.656 0.575 1.000 0.636 CB 1.191 23 residues pruned to eliminate duplicates Z: 17 12.198 2.009 0.528 0.430 0.938 0.750 CB 1.140 17 residues pruned to eliminate duplicates Z: 23 10.013 1.752 0.543 0.386 0.818 0.545 CB 1.089 23 residues pruned to eliminate duplicates Z: 23 19.990 1.934 0.529 0.548 1.000 0.727 CB 1.375 23 residues pruned to eliminate duplicates Z: 27 15.998 1.971 0.469 0.446 0.923 0.577 CB 1.241 27 residues pruned to eliminate duplicates Z: 27 14.985 1.985 0.449 0.434 0.885 0.692 CB 1.237 27 residues pruned to eliminate duplicates Z: 9 17.718 2.163 0.584 0.766 1.000 0.500 CB 1.444 9 residues pruned to eliminate duplicates Z: 23 17.339 2.051 0.503 0.534 0.955 0.727 CB 1.214 23 residues pruned to eliminate duplicates Z: 10 16.666 2.097 0.657 0.743 1.000 0.778 CB 1.287 10 residues pruned to eliminate duplicates Z: 23 19.563 2.029 0.580 0.532 0.955 0.682 CB 1.321 23 residues pruned to eliminate duplicates Z: 10 18.402 2.072 0.825 0.764 1.000 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 26 18.475 2.009 0.564 0.479 1.000 0.760 CB 1.201 26 residues pruned to eliminate duplicates Z: 23 12.542 1.909 0.383 0.506 0.909 0.727 CB 1.108 23 residues pruned to eliminate duplicates Z: 10 16.694 2.029 0.796 0.742 1.000 0.667 CB 1.230 10 residues pruned to eliminate duplicates Z: 13 5.296 1.634 0.533 0.337 0.833 0.500 CB 0.874 Z: 16 6.819 1.577 0.628 0.377 0.867 0.467 CB 0.902 13 residues pruned to eliminate duplicates Z: 6 3.172 1.432 1.117 0.465 0.800 0.400 CB 0.606 6 residues pruned to eliminate duplicates Z: 10 6.209 1.780 0.500 0.350 0.778 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 12 7.558 1.737 0.603 0.327 0.727 0.273 CB 1.361 12 residues pruned to eliminate duplicates Z: 37 36.487 2.128 0.795 0.650 0.944 0.750 CA 1.466 37 residues pruned to eliminate duplicates Z: 59 41.058 2.071 0.631 0.634 0.966 0.741 CA 1.457 59 residues pruned to eliminate duplicates Z: 39 45.690 2.158 0.883 0.703 0.974 0.842 CB 1.557 39 residues pruned to eliminate duplicates Z: 38 36.097 2.106 0.700 0.651 1.000 0.703 CB 1.441 38 residues pruned to eliminate duplicates Z: 39 41.170 2.122 0.764 0.706 0.974 0.816 CB 1.520 39 residues pruned to eliminate duplicates Z: 36 35.951 2.141 0.670 0.653 0.971 0.743 CB 1.517 36 residues pruned to eliminate duplicates Z: 39 30.766 2.031 0.706 0.659 0.895 0.711 CB 1.389 39 residues pruned to eliminate duplicates Z: 41 36.717 2.118 0.756 0.598 0.950 0.600 CA 1.498 41 residues pruned to eliminate duplicates Z: 38 39.942 2.142 0.775 0.674 0.946 0.622 CB 1.556 38 residues pruned to eliminate duplicates Z: 31 43.879 2.206 0.948 0.748 0.967 0.733 CA 1.545 31 residues pruned to eliminate duplicates Z: 41 41.535 2.141 0.827 0.632 0.975 0.625 CA 1.521 41 residues pruned to eliminate duplicates Z: 38 47.202 2.183 0.872 0.692 1.000 0.784 CB 1.593 38 residues pruned to eliminate duplicates Z: 31 43.090 2.194 0.832 0.756 0.967 0.800 CB 1.613 31 residues pruned to eliminate duplicates Z: 32 39.159 2.186 0.772 0.744 0.968 0.677 CB 1.508 32 residues pruned to eliminate duplicates Z: 41 38.812 2.111 0.811 0.630 0.925 0.650 CB 1.536 41 residues pruned to eliminate duplicates Z: 39 38.811 2.131 0.812 0.640 0.974 0.579 CB 1.469 39 residues pruned to eliminate duplicates Z: 30 46.735 2.244 0.956 0.782 0.931 0.724 CB 1.656 30 residues pruned to eliminate duplicates Z: 31 39.863 2.173 0.833 0.726 0.967 0.633 CB 1.542 31 residues pruned to eliminate duplicates Z: 35 39.428 2.173 0.921 0.647 0.912 0.588 CA 1.549 35 residues pruned to eliminate duplicates Z: 30 48.601 2.256 0.983 0.788 1.000 0.655 CB 1.566 30 residues pruned to eliminate duplicates Z: 37 46.685 2.192 1.011 0.720 0.944 0.611 CB 1.531 37 residues pruned to eliminate duplicates Z: 35 49.144 2.191 1.051 0.721 1.000 0.559 CB 1.536 35 residues pruned to eliminate duplicates Z: 31 45.687 2.252 0.937 0.738 0.967 0.700 CB 1.598 31 residues pruned to eliminate duplicates Z: 38 43.204 2.177 0.815 0.661 0.973 0.649 CA 1.592 38 residues pruned to eliminate duplicates Z: 35 46.515 2.189 0.954 0.696 0.971 0.529 CB 1.605 35 residues pruned to eliminate duplicates Z: 38 47.823 2.198 0.829 0.708 1.000 0.595 CB 1.619 38 residues pruned to eliminate duplicates Z: 39 43.931 2.131 0.901 0.686 0.974 0.632 CA 1.523 39 residues pruned to eliminate duplicates Z: 32 41.303 2.171 0.971 0.731 0.935 0.548 CA 1.505 32 residues pruned to eliminate duplicates Z: 40 38.664 2.117 0.869 0.615 0.923 0.615 CA 1.521 40 residues pruned to eliminate duplicates Z: 38 44.172 2.156 0.750 0.689 1.000 0.649 CB 1.619 38 residues pruned to eliminate duplicates Z: 7 6.732 1.655 0.840 0.650 0.833 0.667 CB 0.942 6 residues pruned to eliminate duplicates Z: 6 6.683 1.740 0.770 0.466 0.800 0.800 CB 1.256 7 residues pruned to eliminate duplicates Z: 7 7.697 1.666 0.649 0.548 0.833 0.667 O 1.310 7 residues pruned to eliminate duplicates Z: 7 4.811 1.761 0.357 0.664 0.833 0.500 CA 0.848 7 residues pruned to eliminate duplicates Z: 7 8.029 1.910 0.397 0.517 1.000 0.833 CA 1.208 7 residues pruned to eliminate duplicates Z: 7 4.824 1.891 0.236 0.478 0.833 0.500 CA 1.034 7 residues pruned to eliminate duplicates Z: 47 16.938 1.823 0.449 0.403 0.870 0.543 CB 1.204 47 residues pruned to eliminate duplicates Z: 7 10.368 1.876 0.337 0.689 1.000 0.500 CA 1.420 7 residues pruned to eliminate duplicates Z: 6 4.639 1.857 0.206 0.684 0.600 0.400 CB 1.305 Z: 6 2.918 1.394 0.625 0.115 1.000 0.400 CA 0.937 Z: 11 8.612 1.796 0.503 0.415 0.900 0.600 CB 1.225 7 residues pruned to eliminate duplicates Z: 12 7.051 1.736 0.464 0.352 0.909 0.545 CB 1.080 22 residues pruned to eliminate duplicates Z: 14 9.735 1.704 0.399 0.480 0.923 0.538 CB 1.252 14 residues pruned to eliminate duplicates Z: 11 8.580 1.700 0.312 0.645 0.900 0.900 CB 1.180 9 residues pruned to eliminate duplicates Z: 7 5.164 1.898 0.349 0.425 0.833 0.000 CB 1.068 7 residues pruned to eliminate duplicates Z: 23 12.710 1.907 0.502 0.387 0.864 0.636 CB 1.235 23 residues pruned to eliminate duplicates Z: 24 11.329 1.878 0.384 0.400 0.826 0.652 CB 1.222 24 residues pruned to eliminate duplicates Z: 18 13.034 1.877 0.623 0.492 0.882 0.706 CB 1.185 18 residues pruned to eliminate duplicates Z: 22 11.637 1.859 0.526 0.417 0.905 0.524 CB 1.079 22 residues pruned to eliminate duplicates Z: 21 12.731 1.772 0.862 0.375 0.900 0.550 CB 1.096 21 residues pruned to eliminate duplicates Z: 25 14.313 1.882 0.567 0.380 0.917 0.625 CB 1.228 25 residues pruned to eliminate duplicates Z: 9 6.155 1.779 0.567 0.386 0.750 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 22 13.751 1.910 0.629 0.431 0.857 0.667 CB 1.209 22 residues pruned to eliminate duplicates Z: 23 12.439 1.895 0.527 0.402 0.864 0.636 CB 1.177 23 residues pruned to eliminate duplicates Z: 23 14.294 1.891 0.577 0.407 0.909 0.636 CB 1.239 23 residues pruned to eliminate duplicates Z: 23 11.175 1.845 0.432 0.396 0.864 0.636 CB 1.165 23 residues pruned to eliminate duplicates Z: 16 12.896 1.929 0.653 0.427 0.933 0.667 CB 1.207 16 residues pruned to eliminate duplicates Z: 20 14.605 1.857 0.652 0.396 0.947 0.526 CB 1.287 20 residues pruned to eliminate duplicates Z: 6 3.407 1.407 0.678 0.367 0.800 0.600 CA 0.930 Z: 7 3.938 1.381 0.458 0.401 0.833 0.667 C 1.064 Z: 6 4.950 1.663 0.351 0.368 0.800 0.800 CA 1.418 Z: 18 15.387 1.792 0.846 0.363 0.882 0.647 CA 1.482 35 residues pruned to eliminate duplicates Z: 7 2.855 1.239 0.722 0.485 0.833 0.667 N 0.666 6 residues pruned to eliminate duplicates Z: 10 6.538 1.679 0.385 0.557 0.889 0.556 CA 0.997 Z: 9 8.534 1.716 0.623 0.725 0.750 0.375 CB 1.179 9 residues pruned to eliminate duplicates Z: 8 11.958 1.911 0.819 0.569 0.857 0.714 CA 1.418 8 residues pruned to eliminate duplicates Z: 32 21.772 1.989 0.661 0.409 0.871 0.516 CA 1.495 32 residues pruned to eliminate duplicates Z: 10 7.118 1.686 0.761 0.322 0.778 0.222 CA 1.250 10 residues pruned to eliminate duplicates Z: 33 21.030 1.988 0.733 0.378 0.812 0.406 CA 1.512 33 residues pruned to eliminate duplicates Z: 25 19.343 2.011 0.696 0.356 0.917 0.458 CB 1.475 25 residues pruned to eliminate duplicates Z: 31 23.665 2.018 0.659 0.401 0.900 0.500 CA 1.591 31 residues pruned to eliminate duplicates Z: 30 24.962 2.030 0.751 0.447 0.931 0.655 CB 1.480 30 residues pruned to eliminate duplicates Z: 32 23.140 2.045 0.851 0.370 0.839 0.484 CB 1.505 32 residues pruned to eliminate duplicates Z: 30 21.752 1.994 0.678 0.385 0.897 0.448 CA 1.521 30 residues pruned to eliminate duplicates Z: 33 20.648 1.987 0.698 0.362 0.844 0.469 CB 1.487 33 residues pruned to eliminate duplicates Z: 24 22.979 2.098 0.917 0.345 0.957 0.522 CA 1.474 24 residues pruned to eliminate duplicates Z: 26 25.643 2.098 0.841 0.358 0.960 0.520 CA 1.612 26 residues pruned to eliminate duplicates Z: 27 18.998 1.958 0.783 0.391 0.846 0.385 CA 1.417 27 residues pruned to eliminate duplicates Z: 31 26.071 2.029 0.778 0.406 0.933 0.500 CA 1.560 30 residues pruned to eliminate duplicates Z: 10 11.904 1.878 0.426 0.621 1.000 0.444 CB 1.322 10 residues pruned to eliminate duplicates Z: 15 14.414 2.083 0.400 0.390 0.929 0.571 CA 1.598 15 residues pruned to eliminate duplicates Z: 24 17.624 2.051 0.634 0.326 0.870 0.478 CA 1.527 24 residues pruned to eliminate duplicates Z: 25 19.848 1.962 0.668 0.478 0.833 0.583 CA 1.519 25 residues pruned to eliminate duplicates Z: 33 19.534 1.927 0.623 0.378 0.875 0.438 CB 1.438 33 residues pruned to eliminate duplicates Z: 9 14.647 1.911 0.951 0.811 0.875 0.625 CA 1.211 10 residues pruned to eliminate duplicates Z: 9 14.346 1.898 0.917 0.834 0.875 0.625 CA 1.195 9 residues pruned to eliminate duplicates Z: 31 21.202 1.986 0.683 0.394 0.867 0.567 CA 1.495 31 residues pruned to eliminate duplicates Z: 32 24.648 2.029 0.781 0.405 0.871 0.548 CA 1.554 32 residues pruned to eliminate duplicates Z: 35 14.038 2.023 0.636 0.260 0.794 0.353 CB 1.205 35 residues pruned to eliminate duplicates Z: 23 13.964 2.039 0.440 0.373 0.818 0.455 CB 1.419 23 residues pruned to eliminate duplicates Z: 34 18.332 2.064 0.522 0.318 0.909 0.485 CB 1.366 34 residues pruned to eliminate duplicates Z: 18 9.540 1.957 0.320 0.288 0.824 0.412 CB 1.380 18 residues pruned to eliminate duplicates Z: 34 17.388 2.073 0.626 0.336 0.788 0.485 CB 1.364 18 residues pruned to eliminate duplicates Z: 7 6.720 1.691 0.598 0.360 1.000 0.333 CA 1.181 7 residues pruned to eliminate duplicates Z: 33 17.570 2.059 0.627 0.311 0.844 0.438 CB 1.356 33 residues pruned to eliminate duplicates Z: 17 10.183 1.982 0.523 0.323 0.750 0.312 CB 1.366 17 residues pruned to eliminate duplicates Z: 37 18.797 1.990 0.750 0.311 0.833 0.361 CB 1.332 34 residues pruned to eliminate duplicates Z: 6 2.774 1.629 0.871 0.302 1.000 1.000 CA 0.508 Z: 7 5.866 1.716 0.698 0.448 0.833 0.833 CA 1.041 5 residues pruned to eliminate duplicates Z: 23 16.224 2.017 0.523 0.404 0.909 0.682 CB 1.370 31 residues pruned to eliminate duplicates Z: 12 9.843 1.991 0.518 0.390 0.818 0.545 CB 1.349 12 residues pruned to eliminate duplicates Z: 20 10.793 1.869 0.479 0.310 0.842 0.421 CA 1.314 20 residues pruned to eliminate duplicates Z: 30 11.830 1.974 0.371 0.288 0.828 0.552 CB 1.245 30 residues pruned to eliminate duplicates Z: 32 14.234 1.929 0.680 0.322 0.806 0.516 CB 1.190 9 residues pruned to eliminate duplicates Z: 8 7.562 1.832 0.728 0.523 1.000 0.286 CB 0.882 8 residues pruned to eliminate duplicates Z: 33 15.389 2.066 0.494 0.318 0.812 0.500 CB 1.326 33 residues pruned to eliminate duplicates Z: 33 15.054 2.068 0.673 0.329 0.750 0.500 CB 1.237 28 residues pruned to eliminate duplicates Z: 7 6.088 1.913 0.539 0.373 1.000 0.500 CA 0.967 Z: 35 16.165 2.000 0.653 0.309 0.824 0.529 CB 1.259 35 residues pruned to eliminate duplicates Z: 35 15.428 2.013 0.504 0.306 0.853 0.471 CB 1.272 35 residues pruned to eliminate duplicates Z: 38 13.069 1.947 0.440 0.274 0.811 0.405 CB 1.221 38 residues pruned to eliminate duplicates Z: 12 7.145 1.815 0.659 0.179 0.727 0.455 CA 1.450 12 residues pruned to eliminate duplicates Z: 11 6.812 1.828 0.597 0.180 0.800 0.300 CA 1.356 11 residues pruned to eliminate duplicates Z: 32 18.772 1.979 0.754 0.324 0.839 0.516 CB 1.406 32 residues pruned to eliminate duplicates Z: 24 12.194 1.825 0.408 0.347 0.826 0.565 CA 1.414 10 residues pruned to eliminate duplicates Z: 6 4.006 1.547 0.401 0.476 0.800 0.200 C 1.059 6 residues pruned to eliminate duplicates Z: 22 20.457 1.952 0.721 0.545 0.857 0.714 CB 1.483 22 residues pruned to eliminate duplicates Z: 24 18.425 1.886 0.807 0.488 0.826 0.609 CB 1.382 25 residues pruned to eliminate duplicates Z: 6 5.029 1.679 1.315 0.370 0.800 0.600 CA 0.831 6 residues pruned to eliminate duplicates Z: 21 20.773 1.943 0.760 0.485 0.900 0.750 CB 1.532 21 residues pruned to eliminate duplicates Z: 22 19.758 1.892 0.828 0.511 0.905 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 6 8.505 1.634 1.068 0.481 1.000 0.800 CA 1.148 6 residues pruned to eliminate duplicates Z: 22 19.668 1.938 0.722 0.480 0.905 0.571 CB 1.450 22 residues pruned to eliminate duplicates Z: 24 18.429 1.834 0.775 0.476 0.870 0.652 CB 1.391 21 residues pruned to eliminate duplicates Z: 6 3.599 1.465 0.797 0.412 0.800 0.600 CB 0.838 6 residues pruned to eliminate duplicates Z: 21 11.441 1.942 0.412 0.287 0.900 0.550 CB 1.317 21 residues pruned to eliminate duplicates Z: 18 13.938 2.024 0.515 0.441 0.882 0.529 CB 1.327 18 residues pruned to eliminate duplicates Z: 36 17.086 1.985 0.446 0.448 0.829 0.571 CB 1.281 36 residues pruned to eliminate duplicates Z: 10 19.655 2.224 0.705 0.565 1.000 0.778 CA 1.622 10 residues pruned to eliminate duplicates Z: 14 14.802 2.056 0.658 0.532 0.923 0.538 CB 1.264 14 residues pruned to eliminate duplicates Z: 22 16.113 1.992 0.646 0.447 0.857 0.476 CA 1.321 22 residues pruned to eliminate duplicates Z: 19 13.459 1.944 0.597 0.517 0.889 0.389 CB 1.130 19 residues pruned to eliminate duplicates Z: 11 21.330 2.168 0.829 0.610 1.000 0.600 CA 1.532 11 residues pruned to eliminate duplicates Z: 9 21.827 2.074 0.861 0.823 1.000 0.625 CB 1.512 9 residues pruned to eliminate duplicates Z: 26 15.031 1.957 0.398 0.556 0.880 0.560 CB 1.182 26 residues pruned to eliminate duplicates Z: 25 18.511 2.000 0.382 0.564 1.000 0.583 CB 1.284 25 residues pruned to eliminate duplicates Z: 9 14.043 2.060 0.919 0.509 0.875 0.375 CB 1.423 9 residues pruned to eliminate duplicates Z: 21 15.269 2.040 0.573 0.459 0.850 0.550 CA 1.306 21 residues pruned to eliminate duplicates Z: 34 18.096 1.964 0.505 0.497 0.818 0.545 CB 1.307 34 residues pruned to eliminate duplicates Z: 35 19.885 1.940 0.478 0.507 0.912 0.588 CA 1.296 37 residues pruned to eliminate duplicates Z: 6 4.238 1.699 0.110 0.487 1.000 0.600 CA 1.018 6 residues pruned to eliminate duplicates Z: 28 16.634 1.955 0.619 0.404 0.889 0.407 CB 1.258 28 residues pruned to eliminate duplicates Z: 28 18.812 1.888 0.713 0.471 0.963 0.630 CB 1.197 26 residues pruned to eliminate duplicates Z: 6 7.671 1.832 0.775 0.421 1.000 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 12 7.533 1.941 0.436 0.409 0.818 0.636 CB 1.096 12 residues pruned to eliminate duplicates Z: 14 9.552 1.921 0.616 0.424 0.846 0.615 CB 1.092 14 residues pruned to eliminate duplicates Z: 13 8.777 1.928 0.608 0.438 0.750 0.667 CB 1.161 13 residues pruned to eliminate duplicates Z: 15 10.052 1.703 0.615 0.421 1.000 0.571 CB 1.060 17 residues pruned to eliminate duplicates 6 1.701 1.271 0.925 0.273 1.000 0.200 CA 0.402 ? 6 0.900 1.623 0.478 0.299 0.200 0.200 CA 1.050 ? Z: 6 4.207 1.713 0.669 0.295 0.800 0.600 CA 1.035 6 residues pruned to eliminate duplicates Z: 13 9.674 1.900 0.383 0.414 0.917 0.583 CA 1.268 13 residues pruned to eliminate duplicates Z: 21 9.389 1.695 0.552 0.318 0.800 0.450 CA 1.219 9 residues pruned to eliminate duplicates 7 1.657 1.256 0.802 0.221 0.500 0.333 CA 0.829 ? Z: 6 2.317 1.408 -0.294 0.397 1.000 0.200 C 1.163 Z: 22 12.231 1.851 0.650 0.347 0.905 0.524 CB 1.141 25 residues pruned to eliminate duplicates Z: 7 3.748 1.461 0.182 0.349 1.000 0.333 CA 1.044 7 residues pruned to eliminate duplicates Z: 16 14.428 1.954 0.681 0.543 0.933 0.667 CB 1.165 34 residues pruned to eliminate duplicates Z: 6 4.034 1.559 1.042 0.210 0.800 0.600 CA 0.997 Z: 7 3.362 1.629 0.669 0.424 0.500 0.500 CB 1.092 7 residues pruned to eliminate duplicates Z: 10 8.454 1.945 0.558 0.390 1.000 0.444 CB 1.045 10 residues pruned to eliminate duplicates Z: 11 8.192 1.888 0.475 0.464 1.000 0.500 CB 0.965 11 residues pruned to eliminate duplicates Z: 12 8.979 1.868 0.576 0.509 0.909 0.727 CB 1.003 12 residues pruned to eliminate duplicates Z: 11 10.955 1.939 0.701 0.448 0.900 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 13 8.617 1.822 0.696 0.367 0.833 0.500 CB 1.115 13 residues pruned to eliminate duplicates Z: 13 8.073 1.792 0.562 0.404 0.917 0.500 CB 1.005 13 residues pruned to eliminate duplicates Z: 6 2.768 1.381 0.480 0.507 0.600 0.200 CA 1.002 6 residues pruned to eliminate duplicates Z: 8 4.752 1.698 0.640 0.287 0.857 0.571 CA 0.956 8 residues pruned to eliminate duplicates Z: 20 15.352 1.977 0.393 0.515 1.000 0.684 CA 1.261 20 residues pruned to eliminate duplicates Z: 27 13.781 1.856 0.557 0.282 0.923 0.500 CA 1.295 27 residues pruned to eliminate duplicates Z: 46 27.768 1.929 0.615 0.515 0.911 0.600 CA 1.437 46 residues pruned to eliminate duplicates Z: 17 14.826 2.050 0.424 0.458 0.875 0.500 CB 1.514 17 residues pruned to eliminate duplicates Z: 6 4.782 1.812 0.016 0.489 1.000 0.600 N 1.174 6 residues pruned to eliminate duplicates Z: 15 12.224 1.766 0.653 0.454 0.857 0.643 CB 1.369 15 residues pruned to eliminate duplicates Z: 13 9.941 2.081 0.247 0.419 0.917 0.667 CA 1.312 13 residues pruned to eliminate duplicates Z: 13 11.480 2.153 0.325 0.403 0.917 0.583 CA 1.403 13 residues pruned to eliminate duplicates Z: 35 25.624 2.046 0.432 0.641 0.971 0.794 CA 1.354 35 residues pruned to eliminate duplicates Z: 41 29.880 1.991 0.594 0.660 0.975 0.825 CA 1.316 41 residues pruned to eliminate duplicates Z: 34 31.970 2.075 0.645 0.658 1.000 0.848 CA 1.407 34 residues pruned to eliminate duplicates Z: 34 27.909 2.043 0.487 0.647 1.000 0.727 CA 1.394 34 residues pruned to eliminate duplicates Z: 34 28.786 2.053 0.584 0.657 1.000 0.727 CA 1.332 34 residues pruned to eliminate duplicates Z: 15 17.689 2.150 0.575 0.519 0.929 0.857 CA 1.475 15 residues pruned to eliminate duplicates Z: 33 29.325 2.051 0.647 0.665 0.969 0.812 CA 1.360 33 residues pruned to eliminate duplicates Z: 35 30.083 2.052 0.616 0.644 0.971 0.765 CA 1.401 35 residues pruned to eliminate duplicates Z: 34 34.795 2.065 0.738 0.673 1.000 0.697 CA 1.438 34 residues pruned to eliminate duplicates Z: 30 35.467 2.036 0.856 0.767 0.966 0.690 CA 1.425 30 residues pruned to eliminate duplicates Z: 40 37.372 1.994 0.862 0.646 1.000 0.718 CA 1.406 40 residues pruned to eliminate duplicates Z: 34 36.562 2.047 0.907 0.647 0.939 0.545 CA 1.513 34 residues pruned to eliminate duplicates Z: 35 32.083 2.006 0.796 0.655 0.971 0.676 CA 1.362 35 residues pruned to eliminate duplicates Z: 47 33.358 2.013 0.739 0.588 0.935 0.565 CA 1.382 47 residues pruned to eliminate duplicates Z: 31 36.244 2.007 0.847 0.742 0.967 0.600 CA 1.486 31 residues pruned to eliminate duplicates Z: 34 36.929 2.046 0.939 0.643 0.970 0.515 CA 1.462 34 residues pruned to eliminate duplicates Z: 34 33.340 2.059 0.808 0.655 0.970 0.727 CA 1.393 34 residues pruned to eliminate duplicates Z: 31 35.195 1.995 0.947 0.696 1.000 0.533 CA 1.383 31 residues pruned to eliminate duplicates Z: 36 32.307 2.000 0.831 0.606 0.914 0.629 CA 1.475 36 residues pruned to eliminate duplicates Z: 14 25.163 1.972 0.853 0.908 1.000 0.538 CA 1.357 14 residues pruned to eliminate duplicates Z: 29 31.694 1.980 0.878 0.657 0.964 0.571 CA 1.444 29 residues pruned to eliminate duplicates Z: 29 31.684 2.009 0.922 0.740 0.929 0.464 CA 1.346 29 residues pruned to eliminate duplicates Z: 34 40.468 2.069 0.983 0.686 1.000 0.636 CA 1.448 34 residues pruned to eliminate duplicates Z: 10 5.199 1.775 0.328 0.258 0.778 0.444 CB 1.248 10 residues pruned to eliminate duplicates Z: 40 29.641 1.936 0.710 0.652 0.974 0.667 CA 1.277 40 residues pruned to eliminate duplicates Z: 43 31.898 1.956 0.752 0.571 0.929 0.405 CA 1.444 43 residues pruned to eliminate duplicates Z: 34 35.200 2.059 0.807 0.664 0.939 0.636 CB 1.506 34 residues pruned to eliminate duplicates Z: 38 31.799 2.055 0.627 0.643 1.000 0.676 CA 1.368 38 residues pruned to eliminate duplicates Z: 50 29.573 1.894 0.830 0.477 0.959 0.551 CB 1.301 50 residues pruned to eliminate duplicates Z: 16 15.340 1.770 0.649 0.727 1.000 0.600 CB 1.106 16 residues pruned to eliminate duplicates Z: 17 14.958 1.612 0.629 0.675 1.000 0.625 CA 1.212 17 residues pruned to eliminate duplicates Z: 45 44.637 1.997 0.897 0.720 1.000 0.659 CB 1.455 45 residues pruned to eliminate duplicates Z: 13 11.567 1.697 0.441 0.728 1.000 0.583 CB 1.112 13 residues pruned to eliminate duplicates Z: 44 41.110 1.977 0.890 0.726 1.000 0.674 CB 1.368 44 residues pruned to eliminate duplicates Z: 6 17.464 1.953 0.786 0.871 1.000 0.400 C 1.633 6 residues pruned to eliminate duplicates Z: 11 7.678 1.669 0.583 0.498 0.900 0.400 CB 1.023 11 residues pruned to eliminate duplicates Z: 18 10.469 1.720 0.532 0.605 0.824 0.529 CB 1.059 18 residues pruned to eliminate duplicates Z: 23 15.572 1.773 0.575 0.583 0.909 0.591 CB 1.208 23 residues pruned to eliminate duplicates Z: 6 5.218 2.076 0.305 0.416 0.800 0.200 CB 1.175 Z: 6 8.752 2.042 0.668 0.448 1.000 0.200 CA 1.212 6 residues pruned to eliminate duplicates Z: 14 8.321 1.789 0.087 0.720 0.923 0.692 CA 1.053 14 residues pruned to eliminate duplicates Z: 48 34.536 2.083 0.567 0.627 0.979 0.723 CA 1.399 48 residues pruned to eliminate duplicates Z: 47 26.758 2.008 0.639 0.503 0.870 0.457 CA 1.374 47 residues pruned to eliminate duplicates Z: 44 42.760 2.136 0.718 0.703 1.000 0.698 CA 1.478 44 residues pruned to eliminate duplicates Z: 14 14.939 1.977 0.470 0.712 0.923 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 52 46.344 2.096 0.761 0.682 1.000 0.667 CB 1.487 52 residues pruned to eliminate duplicates Z: 82 52.689 2.116 0.762 0.610 0.963 0.667 CB 1.469 82 residues pruned to eliminate duplicates Z: 16 14.784 1.936 0.614 0.645 0.933 0.400 CB 1.142 16 residues pruned to eliminate duplicates Z: 55 37.680 2.055 0.790 0.609 0.870 0.389 CB 1.444 55 residues pruned to eliminate duplicates Z: 45 43.031 2.095 0.855 0.695 0.955 0.591 CB 1.464 45 residues pruned to eliminate duplicates Z: 79 47.779 2.133 0.773 0.560 0.923 0.615 CB 1.463 79 residues pruned to eliminate duplicates Z: 73 51.124 2.159 0.804 0.634 0.958 0.625 CB 1.423 73 residues pruned to eliminate duplicates Z: 73 53.232 2.159 0.850 0.622 0.944 0.667 CB 1.482 73 residues pruned to eliminate duplicates Z: 76 52.308 2.167 0.761 0.595 0.960 0.680 CB 1.506 76 residues pruned to eliminate duplicates Z: 27 21.924 2.034 0.796 0.516 1.000 0.269 CB 1.158 27 residues pruned to eliminate duplicates Z: 63 49.407 2.146 1.004 0.616 0.935 0.532 CB 1.397 63 residues pruned to eliminate duplicates Z: 32 27.760 2.109 0.840 0.516 0.935 0.484 CB 1.352 32 residues pruned to eliminate duplicates Z: 47 25.688 2.029 0.840 0.476 0.848 0.413 CB 1.225 47 residues pruned to eliminate duplicates Z: 21 13.775 2.072 0.839 0.322 0.900 0.600 CB 1.092 21 residues pruned to eliminate duplicates Z: 27 18.887 2.156 0.930 0.395 0.808 0.346 CB 1.231 27 residues pruned to eliminate duplicates Z: 46 28.434 2.002 0.828 0.467 0.911 0.533 CB 1.314 46 residues pruned to eliminate duplicates Z: 31 25.394 2.140 0.881 0.475 0.867 0.600 CB 1.363 31 residues pruned to eliminate duplicates Z: 46 27.948 2.040 0.842 0.507 0.889 0.444 CB 1.239 46 residues pruned to eliminate duplicates Z: 45 33.039 2.086 0.954 0.500 0.909 0.455 CB 1.345 45 residues pruned to eliminate duplicates Z: 42 26.726 2.071 0.795 0.539 0.878 0.463 CB 1.231 42 residues pruned to eliminate duplicates Z: 65 43.608 2.104 0.793 0.584 0.938 0.547 CB 1.422 65 residues pruned to eliminate duplicates Z: 73 52.711 2.158 0.874 0.620 0.944 0.597 CB 1.452 73 residues pruned to eliminate duplicates Z: 80 47.836 2.128 0.766 0.565 0.911 0.532 CB 1.475 80 residues pruned to eliminate duplicates Z: 74 45.941 2.104 0.884 0.588 0.890 0.575 CB 1.400 74 residues pruned to eliminate duplicates Z: 37 26.392 2.133 0.957 0.500 0.806 0.500 CB 1.308 37 residues pruned to eliminate duplicates Z: 44 28.686 2.068 0.859 0.527 0.930 0.512 CB 1.191 44 residues pruned to eliminate duplicates Z: 46 21.709 2.005 0.742 0.425 0.800 0.356 CB 1.252 46 residues pruned to eliminate duplicates Z: 18 14.596 1.900 0.616 0.496 0.824 0.529 CB 1.406 18 residues pruned to eliminate duplicates Z: 14 18.018 1.947 0.756 0.539 0.923 0.538 CA 1.524 14 residues pruned to eliminate duplicates Z: 10 11.538 1.669 0.425 0.843 1.000 0.667 CA 1.204 10 residues pruned to eliminate duplicates Z: 33 21.748 1.996 0.871 0.403 0.875 0.562 CB 1.303 33 residues pruned to eliminate duplicates Z: 26 16.426 1.988 0.795 0.436 0.840 0.560 CB 1.171 26 residues pruned to eliminate duplicates Z: 44 24.789 2.041 0.772 0.486 0.837 0.558 CB 1.266 44 residues pruned to eliminate duplicates Z: 80 47.378 2.099 0.908 0.545 0.911 0.506 CB 1.397 81 residues pruned to eliminate duplicates Z: 10 16.450 1.879 0.790 0.718 0.889 0.667 CB 1.506 10 residues pruned to eliminate duplicates 736 residues left after pruning, divided into chains as follows: A: 7 B: 11 C: 7 D: 12 E: 22 F: 6 G: 6 H: 7 I: 46 J: 6 K: 85 L: 9 M: 10 N: 13 O: 8 P: 23 Q: 7 R: 17 S: 34 T: 10 U: 90 V: 29 W: 11 X: 6 Y: 33 Z: 18 Z: 18 Z: 75 Z: 24 Z: 6 Z: 80 CC for partial structure against native data = 27.71 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.377, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.438, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.530, Connect. = 0.752 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.546, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.557, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6303 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1310 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 24.371 2.205 0.783 0.816 1.000 0.857 CB 1.780 B: 20 39.333 2.310 0.700 0.924 1.000 0.895 CB 1.613 C: 21 39.368 2.270 0.770 0.933 1.000 1.000 CB 1.528 21 residues pruned to eliminate duplicates D: 20 23.446 2.015 0.456 0.904 1.000 0.789 CB 1.306 E: 41 30.176 2.135 0.716 0.566 0.950 0.625 CB 1.286 F: 22 24.224 1.929 0.679 0.934 1.000 0.810 CB 1.138 21 residues pruned to eliminate duplicates G: 11 13.841 1.688 0.659 0.818 0.900 0.800 CB 1.318 11 residues pruned to eliminate duplicates H: 21 36.451 2.283 0.662 0.921 1.000 0.950 CB 1.511 20 residues pruned to eliminate duplicates I: 21 45.790 2.286 0.900 0.949 1.000 0.950 CB 1.627 21 residues pruned to eliminate duplicates J: 21 26.634 2.025 0.681 0.885 1.000 0.700 CB 1.264 21 residues pruned to eliminate duplicates K: 22 25.766 2.010 0.492 0.912 0.952 0.810 CB 1.394 L: 20 23.578 2.037 0.347 0.904 0.947 0.789 CB 1.483 19 residues pruned to eliminate duplicates M: 25 18.476 2.108 0.854 0.275 0.875 0.417 CA 1.423 N: 15 15.707 1.883 0.805 0.537 0.929 0.571 CB 1.282 O: 9 6.536 1.786 0.315 0.470 0.875 0.750 CA 1.159 P: 20 41.910 2.325 0.835 0.938 1.000 0.947 CB 1.566 20 residues pruned to eliminate duplicates Q: 44 32.108 1.976 0.566 0.695 0.977 0.698 CA 1.356 8 residues pruned to eliminate duplicates R: 21 24.646 2.046 0.477 0.896 0.950 0.650 CB 1.376 22 residues pruned to eliminate duplicates S: 19 27.519 2.047 0.660 0.920 1.000 0.833 CB 1.344 18 residues pruned to eliminate duplicates T: 18 27.773 2.095 0.697 0.925 1.000 0.824 CA 1.329 18 residues pruned to eliminate duplicates U: 10 8.056 1.913 0.421 0.450 0.778 0.667 CA 1.336 V: 22 35.282 2.193 0.578 0.938 1.000 1.000 CB 1.548 21 residues pruned to eliminate duplicates W: 8 11.530 1.891 0.231 0.850 1.000 0.857 CA 1.387 8 residues pruned to eliminate duplicates X: 21 37.810 2.281 0.597 0.930 1.000 1.000 CB 1.623 21 residues pruned to eliminate duplicates Y: 12 15.906 1.934 0.583 0.936 1.000 0.818 CB 1.091 12 residues pruned to eliminate duplicates Z: 11 13.927 1.957 0.715 0.700 1.000 0.800 CB 1.093 11 residues pruned to eliminate duplicates Z: 20 29.220 2.018 0.640 0.874 0.895 0.842 CA 1.648 20 residues pruned to eliminate duplicates Z: 20 19.916 1.971 0.194 0.901 0.947 0.947 CB 1.462 20 residues pruned to eliminate duplicates Z: 21 25.288 2.062 0.418 0.918 1.000 0.950 CB 1.365 21 residues pruned to eliminate duplicates Z: 8 12.923 2.016 1.043 0.411 0.857 0.571 CA 1.519 Z: 13 19.561 2.018 0.702 0.657 1.000 0.667 CA 1.421 Z: 20 44.516 2.331 0.908 0.946 1.000 0.789 CB 1.588 22 residues pruned to eliminate duplicates Z: 21 38.227 2.286 0.686 0.926 1.000 0.850 CB 1.555 21 residues pruned to eliminate duplicates Z: 28 12.322 1.917 0.414 0.453 0.889 0.704 CB 1.033 28 residues pruned to eliminate duplicates Z: 13 9.653 1.892 0.680 0.381 0.917 0.583 CB 1.085 Z: 21 46.579 2.298 1.152 0.943 1.000 0.650 CB 1.458 20 residues pruned to eliminate duplicates Z: 10 11.785 1.711 0.332 0.810 1.000 0.778 CA 1.315 10 residues pruned to eliminate duplicates Z: 10 25.112 2.299 0.474 0.892 1.000 0.778 CB 1.775 10 residues pruned to eliminate duplicates Z: 10 14.114 1.882 0.749 0.931 1.000 0.889 CB 0.998 Z: 22 26.481 1.946 0.514 0.859 1.000 0.619 CB 1.443 22 residues pruned to eliminate duplicates Z: 22 12.282 1.744 0.543 0.451 0.857 0.476 CB 1.222 Z: 34 17.309 2.014 0.594 0.333 0.848 0.455 CB 1.328 9 residues pruned to eliminate duplicates Z: 23 22.136 2.038 0.976 0.479 0.955 0.545 CB 1.254 8 residues pruned to eliminate duplicates Z: 10 13.897 1.793 0.540 0.778 1.000 0.556 CA 1.312 10 residues pruned to eliminate duplicates Z: 10 9.081 1.884 0.613 0.296 0.889 0.222 CB 1.408 9 residues pruned to eliminate duplicates Z: 14 5.904 1.831 0.139 0.274 0.769 0.308 CA 1.319 14 residues pruned to eliminate duplicates Z: 48 31.773 1.957 0.809 0.467 0.915 0.447 CB 1.479 19 residues pruned to eliminate duplicates Z: 8 10.613 1.983 0.867 0.521 0.857 0.429 CB 1.237 8 residues pruned to eliminate duplicates Z: 19 33.119 2.057 1.006 0.913 0.944 0.722 CA 1.418 19 residues pruned to eliminate duplicates Z: 18 22.957 2.074 0.334 0.950 1.000 0.882 CB 1.387 18 residues pruned to eliminate duplicates Z: 20 34.819 2.234 0.719 0.857 1.000 0.579 CB 1.533 20 residues pruned to eliminate duplicates Z: 21 41.954 2.307 0.793 0.921 1.000 0.950 CB 1.596 21 residues pruned to eliminate duplicates Z: 20 40.487 2.185 1.188 0.925 1.000 0.789 CB 1.363 20 residues pruned to eliminate duplicates Z: 43 32.084 1.945 0.812 0.525 0.952 0.476 CB 1.439 42 residues pruned to eliminate duplicates Z: 22 43.705 2.245 0.972 0.948 1.000 0.524 CB 1.488 22 residues pruned to eliminate duplicates Z: 20 16.287 1.911 0.744 0.400 0.895 0.579 CB 1.393 Z: 10 20.897 2.116 0.990 0.890 0.889 0.556 CB 1.340 10 residues pruned to eliminate duplicates Z: 28 19.189 1.939 0.449 0.517 1.000 0.741 CB 1.292 26 residues pruned to eliminate duplicates Z: 21 25.664 1.964 0.563 0.908 1.000 0.800 CB 1.327 21 residues pruned to eliminate duplicates Z: 22 18.750 2.058 0.960 0.406 0.857 0.524 CB 1.306 22 residues pruned to eliminate duplicates Z: 22 34.374 2.002 0.907 0.931 1.000 0.571 CB 1.373 23 residues pruned to eliminate duplicates Z: 22 34.080 2.051 0.790 0.887 0.952 0.667 CB 1.534 22 residues pruned to eliminate duplicates Z: 25 16.147 1.973 0.394 0.492 0.917 0.625 CB 1.317 25 residues pruned to eliminate duplicates Z: 26 30.332 2.133 0.600 0.719 0.920 0.840 CA 1.585 17 residues pruned to eliminate duplicates Z: 21 21.395 1.949 0.617 0.896 1.000 0.650 CB 1.087 21 residues pruned to eliminate duplicates Z: 23 35.130 1.973 0.823 0.930 1.000 0.864 CB 1.456 23 residues pruned to eliminate duplicates Z: 25 12.930 1.905 0.541 0.344 0.875 0.542 CB 1.218 Z: 36 18.144 1.907 0.547 0.457 0.914 0.629 CB 1.188 23 residues pruned to eliminate duplicates Z: 37 25.013 2.080 0.649 0.553 0.917 0.750 CB 1.259 35 residues pruned to eliminate duplicates Z: 20 28.450 2.063 0.545 0.924 1.000 0.789 CB 1.438 20 residues pruned to eliminate duplicates Z: 9 6.114 1.849 0.147 0.317 0.875 0.750 CB 1.426 Z: 8 3.468 1.669 0.380 0.392 0.571 0.429 CB 1.116 Z: 10 9.337 1.812 0.343 0.925 1.000 0.556 CB 0.898 Z: 16 29.274 1.882 1.127 0.906 0.933 0.600 CA 1.439 16 residues pruned to eliminate duplicates Z: 29 14.132 2.035 0.310 0.398 0.857 0.536 CB 1.302 Z: 16 13.459 2.148 0.451 0.334 0.867 0.400 CA 1.542 10 residues pruned to eliminate duplicates Z: 20 39.569 2.320 0.770 0.914 1.000 0.842 CB 1.563 20 residues pruned to eliminate duplicates Z: 15 10.153 1.850 0.551 0.386 0.857 0.571 CB 1.245 Z: 27 17.372 1.923 0.469 0.519 1.000 0.731 CB 1.184 27 residues pruned to eliminate duplicates Z: 21 17.548 2.017 0.507 0.655 0.950 0.700 CB 1.176 21 residues pruned to eliminate duplicates Z: 11 15.536 1.743 0.919 0.905 1.000 0.800 CB 1.045 11 residues pruned to eliminate duplicates Z: 35 26.114 2.000 0.508 0.622 1.000 0.735 CA 1.323 34 residues pruned to eliminate duplicates Z: 6 2.546 1.659 0.263 0.340 0.600 0.400 CB 1.078 6 residues pruned to eliminate duplicates Z: 17 15.335 1.933 0.878 0.310 0.875 0.375 CA 1.491 11 residues pruned to eliminate duplicates Z: 22 22.314 2.201 1.024 0.346 0.952 0.524 CB 1.356 22 residues pruned to eliminate duplicates Z: 15 4.065 1.647 0.070 0.237 0.786 0.500 CB 1.065 11 residues pruned to eliminate duplicates Z: 10 8.894 1.674 0.272 0.748 0.889 0.556 CA 1.255 10 residues pruned to eliminate duplicates Z: 10 11.642 1.787 0.271 0.822 1.000 0.556 CA 1.292 10 residues pruned to eliminate duplicates Z: 9 4.918 1.465 0.386 0.451 0.875 0.500 CB 1.029 Z: 7 3.218 1.604 0.447 0.247 0.833 0.500 CB 0.909 Z: 11 13.182 1.972 0.800 0.687 0.900 0.700 CB 1.099 11 residues pruned to eliminate duplicates Z: 19 8.179 1.911 0.102 0.350 0.833 0.556 CB 1.292 19 residues pruned to eliminate duplicates Z: 19 17.745 1.975 0.722 0.349 0.889 0.556 CB 1.631 19 residues pruned to eliminate duplicates Z: 8 12.875 1.858 0.471 0.872 1.000 0.857 CA 1.298 Z: 26 14.581 1.981 0.322 0.528 0.920 0.760 CB 1.178 26 residues pruned to eliminate duplicates Z: 21 41.322 2.274 0.813 0.909 1.000 0.700 CB 1.590 21 residues pruned to eliminate duplicates Z: 23 26.581 1.974 0.455 0.885 0.955 0.864 CA 1.492 23 residues pruned to eliminate duplicates Z: 9 4.812 1.760 -0.067 0.440 0.750 0.625 CB 1.470 7 residues pruned to eliminate duplicates Z: 35 17.388 1.949 0.602 0.356 0.853 0.471 CB 1.307 35 residues pruned to eliminate duplicates Z: 25 16.616 2.028 0.485 0.523 0.917 0.625 CB 1.200 25 residues pruned to eliminate duplicates Z: 17 12.125 2.012 0.384 0.459 0.812 0.312 CB 1.398 16 residues pruned to eliminate duplicates Z: 10 8.423 1.946 0.013 0.849 0.889 0.667 CB 1.188 10 residues pruned to eliminate duplicates Z: 20 9.395 1.707 0.352 0.385 0.895 0.474 CB 1.179 Z: 20 43.582 2.320 0.854 0.932 1.000 0.632 CB 1.623 20 residues pruned to eliminate duplicates Z: 8 11.018 1.861 0.351 0.837 1.000 0.714 CA 1.239 8 residues pruned to eliminate duplicates Z: 21 49.370 2.322 1.028 0.906 1.000 0.800 CB 1.667 21 residues pruned to eliminate duplicates Z: 10 8.968 1.851 0.727 0.402 0.778 0.444 CA 1.333 10 residues pruned to eliminate duplicates Z: 32 22.492 2.051 0.614 0.456 0.839 0.419 CB 1.522 32 residues pruned to eliminate duplicates Z: 20 37.668 2.316 0.665 0.921 1.000 0.947 CB 1.577 20 residues pruned to eliminate duplicates Z: 21 23.025 1.937 0.557 0.891 0.950 0.750 CB 1.292 21 residues pruned to eliminate duplicates Z: 11 16.578 1.959 0.714 0.594 1.000 0.800 CA 1.426 Z: 16 11.595 1.815 0.374 0.426 0.933 0.600 CB 1.390 18 residues pruned to eliminate duplicates Z: 19 30.755 2.061 0.843 0.902 0.944 0.667 CA 1.441 19 residues pruned to eliminate duplicates Z: 11 9.984 2.063 0.770 0.399 0.800 0.700 CB 1.202 11 residues pruned to eliminate duplicates Z: 21 9.388 1.643 0.540 0.415 0.950 0.800 CB 0.955 12 residues pruned to eliminate duplicates Z: 42 30.236 2.137 0.794 0.499 0.902 0.439 CB 1.366 41 residues pruned to eliminate duplicates Z: 41 28.582 1.960 0.564 0.565 0.950 0.650 CB 1.456 39 residues pruned to eliminate duplicates Z: 8 4.413 1.864 -0.048 0.435 0.714 0.429 O 1.406 8 residues pruned to eliminate duplicates Z: 19 13.466 1.987 0.677 0.382 0.833 0.556 CB 1.296 19 residues pruned to eliminate duplicates Z: 9 12.215 1.901 0.713 0.485 0.875 0.500 CA 1.539 Z: 20 46.348 2.306 1.087 0.941 1.000 0.947 CB 1.533 20 residues pruned to eliminate duplicates Z: 9 14.146 1.765 0.544 0.863 1.000 0.875 CA 1.346 8 residues pruned to eliminate duplicates Z: 11 12.083 1.953 0.661 0.676 0.900 0.700 CB 1.113 11 residues pruned to eliminate duplicates Z: 21 10.717 2.047 0.374 0.386 0.850 0.450 CB 1.131 21 residues pruned to eliminate duplicates Z: 9 10.176 1.843 0.730 0.477 0.875 0.375 CB 1.320 9 residues pruned to eliminate duplicates Z: 15 8.107 1.867 0.602 0.307 0.929 0.571 CB 0.967 15 residues pruned to eliminate duplicates Z: 20 21.732 2.009 0.665 0.859 0.895 0.526 CA 1.226 20 residues pruned to eliminate duplicates Z: 20 17.914 2.010 0.715 0.528 0.789 0.474 CA 1.469 14 residues pruned to eliminate duplicates Z: 22 14.052 1.788 0.540 0.492 0.905 0.667 CB 1.240 22 residues pruned to eliminate duplicates Z: 34 15.484 1.999 0.562 0.329 0.788 0.515 CB 1.322 34 residues pruned to eliminate duplicates Z: 18 35.828 2.116 1.055 0.938 1.000 0.765 CA 1.390 18 residues pruned to eliminate duplicates Z: 10 11.744 1.537 0.777 0.806 0.889 0.889 CA 1.235 10 residues pruned to eliminate duplicates Z: 8 8.280 1.806 0.780 0.610 1.000 0.857 CB 0.877 Z: 6 7.994 1.801 0.514 0.394 1.000 0.800 N 1.467 Z: 8 5.007 1.729 0.299 0.762 0.714 0.429 CB 0.935 8 residues pruned to eliminate duplicates Z: 22 17.459 1.829 0.655 0.506 0.905 0.619 CB 1.384 22 residues pruned to eliminate duplicates Z: 17 12.723 1.923 0.715 0.433 0.875 0.625 CB 1.181 17 residues pruned to eliminate duplicates Z: 24 18.930 2.013 0.999 0.375 0.870 0.565 CB 1.289 24 residues pruned to eliminate duplicates Z: 17 18.181 2.055 0.518 0.672 0.938 0.688 CB 1.327 19 residues pruned to eliminate duplicates Z: 14 9.655 1.841 0.336 0.456 0.923 0.462 CB 1.234 14 residues pruned to eliminate duplicates Z: 11 11.083 1.634 0.764 0.802 1.000 0.700 CA 0.934 11 residues pruned to eliminate duplicates Z: 8 10.519 1.812 0.393 0.859 1.000 0.714 CA 1.159 8 residues pruned to eliminate duplicates Z: 25 26.095 2.112 0.504 0.787 1.000 0.792 CA 1.302 25 residues pruned to eliminate duplicates 9 1.971 1.891 -0.065 0.463 0.625 0.625 CB 0.654 ? Z: 26 23.108 2.100 0.409 0.731 0.960 0.800 CA 1.322 26 residues pruned to eliminate duplicates Z: 21 33.118 2.089 0.748 0.908 1.000 0.700 CB 1.441 21 residues pruned to eliminate duplicates Z: 11 9.987 1.803 0.220 0.522 1.000 0.500 CB 1.405 11 residues pruned to eliminate duplicates Z: 45 33.111 2.093 0.760 0.543 0.977 0.659 CB 1.329 44 residues pruned to eliminate duplicates Z: 13 11.307 1.648 0.628 0.839 0.917 0.833 CB 0.991 10 residues pruned to eliminate duplicates Z: 34 16.241 1.997 0.621 0.336 0.848 0.576 CB 1.232 34 residues pruned to eliminate duplicates Z: 8 8.335 1.847 0.882 0.378 0.857 0.571 O 1.203 8 residues pruned to eliminate duplicates Z: 18 13.388 2.036 0.465 0.477 0.824 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 13 8.704 2.015 0.470 0.471 0.833 0.667 CB 1.048 Z: 13 11.844 1.976 0.683 0.425 0.917 0.750 CB 1.212 14 residues pruned to eliminate duplicates Z: 18 31.768 2.254 0.884 0.894 0.882 0.706 CB 1.475 18 residues pruned to eliminate duplicates Z: 10 4.891 1.810 0.172 0.278 0.778 0.556 CB 1.271 10 residues pruned to eliminate duplicates Z: 11 7.104 1.737 0.370 0.327 0.900 0.700 CB 1.269 Z: 14 10.826 1.729 0.655 0.366 0.923 0.538 CA 1.312 Z: 11 6.649 1.833 0.652 0.305 0.800 0.200 CB 1.078 11 residues pruned to eliminate duplicates Z: 13 5.124 1.778 0.213 0.372 0.750 0.583 CB 1.048 13 residues pruned to eliminate duplicates Z: 16 19.700 2.085 0.191 0.921 1.000 1.000 CB 1.442 16 residues pruned to eliminate duplicates Z: 26 21.482 1.994 0.844 0.468 0.920 0.600 CB 1.312 25 residues pruned to eliminate duplicates Z: 20 44.039 2.318 1.057 0.939 1.000 0.684 CB 1.472 20 residues pruned to eliminate duplicates Z: 20 32.837 2.224 0.559 0.933 1.000 0.895 CB 1.517 20 residues pruned to eliminate duplicates Z: 11 12.827 1.740 0.344 0.920 1.000 0.900 CB 1.222 11 residues pruned to eliminate duplicates Z: 26 17.129 1.961 0.525 0.495 0.880 0.520 CB 1.308 26 residues pruned to eliminate duplicates Z: 13 8.939 1.960 0.449 0.380 0.833 0.667 CB 1.238 12 residues pruned to eliminate duplicates Z: 26 18.324 2.017 0.463 0.541 1.000 0.800 CB 1.193 26 residues pruned to eliminate duplicates Z: 35 39.414 2.045 0.765 0.701 0.971 0.706 CB 1.607 35 residues pruned to eliminate duplicates Z: 10 9.234 1.617 0.589 0.650 0.889 0.556 CA 1.172 10 residues pruned to eliminate duplicates Z: 15 15.710 1.800 0.432 0.604 0.929 0.286 CB 1.589 15 residues pruned to eliminate duplicates Z: 18 32.750 2.065 0.696 0.937 1.000 0.765 CB 1.579 18 residues pruned to eliminate duplicates Z: 21 34.833 2.081 0.827 0.943 1.000 0.650 CB 1.420 21 residues pruned to eliminate duplicates Z: 23 13.360 1.743 0.705 0.423 0.864 0.500 CA 1.203 23 residues pruned to eliminate duplicates Z: 11 16.284 1.951 0.781 0.679 1.000 0.800 CA 1.257 11 residues pruned to eliminate duplicates Z: 24 16.935 1.981 0.929 0.464 0.826 0.739 CB 1.160 24 residues pruned to eliminate duplicates Z: 17 11.230 1.933 0.332 0.427 0.938 0.750 CA 1.255 Z: 13 6.670 1.812 0.488 0.292 0.750 0.500 CB 1.202 Z: 22 24.766 1.903 0.591 0.906 1.000 0.905 CA 1.270 22 residues pruned to eliminate duplicates Z: 12 8.557 1.799 0.457 0.502 0.909 0.636 CB 1.081 12 residues pruned to eliminate duplicates Z: 18 8.085 1.742 0.617 0.356 0.765 0.471 CB 1.063 12 residues pruned to eliminate duplicates Z: 50 39.007 2.005 0.748 0.693 0.918 0.592 CB 1.451 49 residues pruned to eliminate duplicates Z: 25 20.669 1.939 0.771 0.456 0.833 0.542 CB 1.541 25 residues pruned to eliminate duplicates Z: 29 10.845 1.851 0.542 0.374 0.714 0.536 CB 1.151 22 residues pruned to eliminate duplicates Z: 9 11.518 1.839 0.224 0.865 1.000 0.625 CA 1.326 9 residues pruned to eliminate duplicates Z: 29 18.752 2.078 0.763 0.324 0.893 0.464 CB 1.316 29 residues pruned to eliminate duplicates Z: 6 6.278 1.539 0.116 0.855 1.000 0.800 CA 1.206 6 residues pruned to eliminate duplicates Z: 15 10.887 1.868 0.525 0.393 0.857 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 9 18.034 2.043 0.703 0.588 1.000 0.625 CB 1.685 9 residues pruned to eliminate duplicates Z: 35 16.421 1.821 0.566 0.387 0.882 0.676 CB 1.262 33 residues pruned to eliminate duplicates Z: 17 8.841 1.696 0.327 0.392 0.938 0.625 CB 1.174 17 residues pruned to eliminate duplicates Z: 23 23.918 2.124 0.405 0.754 1.000 0.864 CA 1.363 23 residues pruned to eliminate duplicates Z: 11 10.670 1.956 0.813 0.344 1.000 0.600 CB 1.127 12 residues pruned to eliminate duplicates Z: 10 4.873 1.628 0.283 0.596 0.778 0.667 N 0.912 10 residues pruned to eliminate duplicates Z: 8 8.459 1.850 0.126 0.832 1.000 0.857 CB 1.153 8 residues pruned to eliminate duplicates Z: 14 12.483 1.877 0.675 0.511 0.846 0.692 CB 1.287 14 residues pruned to eliminate duplicates Z: 21 39.095 2.311 0.694 0.938 1.000 0.900 CB 1.553 21 residues pruned to eliminate duplicates Z: 18 23.029 2.018 0.526 0.914 1.000 0.882 CB 1.282 18 residues pruned to eliminate duplicates Z: 45 16.750 1.833 0.786 0.267 0.795 0.477 CB 1.264 32 residues pruned to eliminate duplicates Z: 9 11.110 2.023 0.532 0.625 0.875 0.750 CA 1.288 9 residues pruned to eliminate duplicates Z: 15 7.095 1.639 0.525 0.381 0.786 0.500 CA 1.095 15 residues pruned to eliminate duplicates Z: 11 10.308 1.905 0.534 0.513 0.900 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 11 11.003 1.819 0.393 0.807 0.900 0.700 CB 1.167 11 residues pruned to eliminate duplicates Z: 9 6.367 1.833 0.308 0.495 0.875 0.750 CB 1.078 9 residues pruned to eliminate duplicates Z: 14 9.170 1.801 0.342 0.535 0.923 0.692 CB 1.101 14 residues pruned to eliminate duplicates Z: 36 18.862 1.989 0.480 0.456 0.857 0.600 CB 1.321 38 residues pruned to eliminate duplicates Z: 15 7.052 1.629 0.564 0.431 0.786 0.643 CB 1.011 15 residues pruned to eliminate duplicates Z: 23 15.771 1.964 0.775 0.360 0.909 0.500 CB 1.233 20 residues pruned to eliminate duplicates Z: 24 15.056 1.969 0.533 0.415 0.913 0.522 CA 1.245 29 residues pruned to eliminate duplicates Z: 58 37.021 2.020 0.760 0.591 0.877 0.509 CA 1.441 50 residues pruned to eliminate duplicates Z: 19 14.288 1.787 0.666 0.527 0.889 0.667 CB 1.239 19 residues pruned to eliminate duplicates Z: 22 16.973 1.966 0.758 0.305 0.905 0.429 CB 1.471 22 residues pruned to eliminate duplicates Z: 22 14.277 1.935 0.430 0.427 0.905 0.619 CB 1.342 39 residues pruned to eliminate duplicates Z: 10 14.555 1.762 0.676 0.860 1.000 0.889 CB 1.208 10 residues pruned to eliminate duplicates Z: 12 7.502 1.816 0.712 0.367 0.818 0.545 CB 1.026 12 residues pruned to eliminate duplicates Z: 21 35.627 2.079 0.864 0.906 1.000 0.700 CB 1.462 21 residues pruned to eliminate duplicates Z: 32 20.987 2.091 0.675 0.377 0.871 0.484 CB 1.408 32 residues pruned to eliminate duplicates Z: 42 33.814 2.063 0.641 0.632 0.976 0.683 CB 1.412 42 residues pruned to eliminate duplicates Z: 22 27.808 2.018 0.639 0.927 1.000 0.762 CB 1.286 22 residues pruned to eliminate duplicates Z: 8 4.651 1.782 0.270 0.617 0.714 0.429 CB 0.974 8 residues pruned to eliminate duplicates Z: 10 8.059 1.785 0.639 0.485 0.778 0.667 CB 1.198 Z: 8 10.487 2.015 0.443 0.577 0.857 0.714 CB 1.477 8 residues pruned to eliminate duplicates Z: 10 14.223 1.726 0.754 0.777 1.000 0.667 CA 1.226 10 residues pruned to eliminate duplicates Z: 9 13.382 1.894 0.403 0.845 1.000 0.875 CA 1.324 9 residues pruned to eliminate duplicates Z: 11 9.681 1.741 0.483 0.460 0.900 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 42 37.572 2.019 0.777 0.724 0.951 0.659 CA 1.404 56 residues pruned to eliminate duplicates Z: 11 2.173 1.344 0.427 0.322 0.700 0.500 CB 0.623 Z: 9 5.767 1.727 0.556 0.485 0.750 0.375 CB 1.027 9 residues pruned to eliminate duplicates Z: 20 24.510 2.010 0.384 0.913 0.947 0.789 CB 1.511 20 residues pruned to eliminate duplicates Z: 10 11.764 2.083 0.110 0.889 1.000 0.889 CB 1.221 10 residues pruned to eliminate duplicates Z: 32 13.790 1.917 0.629 0.312 0.742 0.484 CA 1.317 32 residues pruned to eliminate duplicates Z: 12 12.058 2.001 0.379 0.420 1.000 0.545 CB 1.431 12 residues pruned to eliminate duplicates Z: 26 19.002 2.010 0.560 0.360 0.960 0.560 CB 1.469 26 residues pruned to eliminate duplicates Z: 9 15.401 1.788 0.658 0.859 1.000 0.500 CA 1.352 10 residues pruned to eliminate duplicates Z: 23 14.492 1.899 0.718 0.317 0.864 0.455 CA 1.341 23 residues pruned to eliminate duplicates Z: 7 2.259 1.593 0.106 0.289 0.667 0.333 CB 0.995 Z: 17 15.658 1.997 0.551 0.450 0.938 0.500 CB 1.419 17 residues pruned to eliminate duplicates Z: 17 29.560 2.105 0.822 0.887 1.000 0.562 CB 1.389 17 residues pruned to eliminate duplicates Z: 20 13.696 1.976 0.692 0.393 0.789 0.632 CB 1.334 20 residues pruned to eliminate duplicates Z: 20 10.079 1.790 0.346 0.374 0.895 0.632 CB 1.227 21 residues pruned to eliminate duplicates Z: 33 20.895 2.032 0.684 0.384 0.875 0.469 CB 1.396 32 residues pruned to eliminate duplicates Z: 27 17.332 1.954 0.786 0.446 0.885 0.538 CB 1.163 27 residues pruned to eliminate duplicates Z: 18 22.266 2.031 0.432 0.933 1.000 1.000 CA 1.296 18 residues pruned to eliminate duplicates Z: 7 7.152 1.828 0.282 0.548 0.833 0.667 CA 1.427 7 residues pruned to eliminate duplicates Z: 24 12.783 1.704 0.567 0.404 0.913 0.609 CB 1.209 24 residues pruned to eliminate duplicates Z: 7 3.509 1.863 -0.035 0.396 0.667 0.500 CB 1.332 Z: 11 13.712 2.029 0.161 0.904 1.000 1.000 CB 1.310 11 residues pruned to eliminate duplicates Z: 29 14.135 2.038 0.466 0.404 0.857 0.536 CB 1.154 29 residues pruned to eliminate duplicates Z: 18 9.007 1.879 0.516 0.330 0.706 0.471 CB 1.310 18 residues pruned to eliminate duplicates Z: 55 21.099 2.023 0.510 0.339 0.833 0.389 CB 1.344 53 residues pruned to eliminate duplicates Z: 10 17.714 1.770 0.965 0.888 1.000 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 18 31.099 2.063 0.864 0.932 1.000 0.706 CA 1.370 18 residues pruned to eliminate duplicates Z: 30 16.635 2.024 0.580 0.364 0.828 0.517 CB 1.352 30 residues pruned to eliminate duplicates Z: 11 13.724 1.743 0.480 0.878 1.000 0.900 CB 1.221 11 residues pruned to eliminate duplicates Z: 9 11.872 1.849 0.792 0.576 1.000 0.750 CB 1.177 9 residues pruned to eliminate duplicates Z: 7 4.797 1.569 0.769 0.474 0.667 0.500 CA 1.086 Z: 9 7.894 1.806 0.313 0.582 0.875 0.625 CA 1.243 9 residues pruned to eliminate duplicates Z: 15 14.075 1.937 0.722 0.529 0.857 0.714 CB 1.278 15 residues pruned to eliminate duplicates Z: 15 9.786 1.851 0.439 0.412 1.000 0.714 CA 1.076 Z: 18 9.284 1.959 0.403 0.311 0.882 0.647 CB 1.144 17 residues pruned to eliminate duplicates Z: 14 10.278 1.918 0.597 0.322 0.923 0.462 CB 1.227 14 residues pruned to eliminate duplicates Z: 15 14.313 2.168 0.606 0.319 0.929 0.571 CB 1.445 16 residues pruned to eliminate duplicates Z: 19 27.835 2.146 0.803 0.677 1.000 0.611 CB 1.441 22 residues pruned to eliminate duplicates Z: 11 11.500 1.855 0.810 0.403 0.900 0.500 CB 1.332 11 residues pruned to eliminate duplicates Z: 16 13.366 1.858 0.580 0.482 0.867 0.600 CB 1.382 14 residues pruned to eliminate duplicates Z: 11 2.680 1.430 0.391 0.125 0.700 0.300 N 0.974 11 residues pruned to eliminate duplicates Z: 8 8.050 1.852 0.306 0.831 1.000 0.857 CB 0.945 8 residues pruned to eliminate duplicates Z: 10 10.982 1.740 0.507 0.721 0.889 0.556 CA 1.286 10 residues pruned to eliminate duplicates Z: 25 16.838 1.981 0.378 0.495 1.000 0.625 CB 1.265 14 residues pruned to eliminate duplicates Z: 23 36.724 1.985 0.802 0.938 1.000 0.909 CB 1.522 23 residues pruned to eliminate duplicates Z: 7 3.444 1.677 0.144 0.401 0.667 0.500 CB 1.219 Z: 7 3.154 1.591 0.507 0.622 0.833 0.500 CB 0.575 Z: 14 5.861 1.619 0.521 0.182 0.769 0.615 CB 1.257 7 residues pruned to eliminate duplicates Z: 23 9.021 1.774 0.377 0.326 0.818 0.545 CB 1.164 25 residues pruned to eliminate duplicates Z: 11 15.189 1.683 0.862 0.830 1.000 0.800 CA 1.153 19 residues pruned to eliminate duplicates Z: 14 10.582 1.921 0.561 0.456 0.769 0.538 CA 1.330 Z: 10 11.161 1.755 0.282 0.911 1.000 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 22 11.491 1.787 0.401 0.343 0.905 0.429 CB 1.313 22 residues pruned to eliminate duplicates Z: 10 12.276 2.031 0.273 0.704 0.778 0.667 CB 1.691 10 residues pruned to eliminate duplicates Z: 23 16.175 2.048 0.469 0.350 0.864 0.500 CA 1.561 23 residues pruned to eliminate duplicates Z: 13 8.934 1.797 0.532 0.425 0.833 0.750 CB 1.215 13 residues pruned to eliminate duplicates Z: 17 10.397 1.649 0.340 0.388 1.000 0.625 C 1.324 12 residues pruned to eliminate duplicates Z: 54 39.817 2.103 0.808 0.537 0.925 0.642 CB 1.500 74 residues pruned to eliminate duplicates Z: 16 14.020 1.970 0.454 0.545 0.933 0.600 CB 1.296 17 residues pruned to eliminate duplicates Z: 20 17.711 2.047 0.649 0.513 0.842 0.684 CB 1.410 20 residues pruned to eliminate duplicates Z: 10 14.848 1.799 0.881 0.906 1.000 0.667 CB 1.040 10 residues pruned to eliminate duplicates Z: 19 27.921 2.018 0.693 0.926 1.000 0.944 CA 1.351 19 residues pruned to eliminate duplicates Z: 6 6.133 1.904 -0.050 0.468 1.000 1.000 N 1.566 6 residues pruned to eliminate duplicates Z: 36 27.420 1.923 0.634 0.614 0.943 0.857 CB 1.405 36 residues pruned to eliminate duplicates Z: 18 37.123 2.114 1.058 0.948 1.000 0.824 CA 1.430 18 residues pruned to eliminate duplicates Z: 30 39.734 2.171 1.012 0.712 0.862 0.483 CB 1.617 30 residues pruned to eliminate duplicates Z: 14 5.674 1.895 -0.021 0.359 0.923 0.385 CB 1.070 14 residues pruned to eliminate duplicates Z: 19 15.050 2.003 0.624 0.393 0.889 0.722 CB 1.374 19 residues pruned to eliminate duplicates Z: 33 16.752 1.970 0.692 0.389 0.875 0.594 CB 1.143 16 residues pruned to eliminate duplicates Z: 17 8.181 1.660 0.440 0.506 0.875 0.625 CB 0.972 17 residues pruned to eliminate duplicates Z: 17 13.250 1.843 0.854 0.405 0.875 0.562 CB 1.224 17 residues pruned to eliminate duplicates Z: 16 13.528 2.006 0.743 0.331 0.800 0.533 CB 1.502 16 residues pruned to eliminate duplicates Z: 17 28.888 2.105 0.893 0.891 0.938 0.438 CB 1.390 17 residues pruned to eliminate duplicates Z: 23 33.161 1.882 1.041 0.905 0.955 0.409 CB 1.373 23 residues pruned to eliminate duplicates Z: 9 3.617 1.736 0.339 0.323 0.625 0.500 CA 1.070 5 residues pruned to eliminate duplicates Z: 7 3.807 1.740 0.076 0.242 1.000 0.667 CA 1.119 Z: 10 4.263 1.700 0.634 0.379 0.778 0.556 CB 0.748 Z: 7 6.426 1.811 0.508 0.442 0.833 0.667 CA 1.224 7 residues pruned to eliminate duplicates Z: 14 10.301 1.803 0.443 0.478 0.846 0.615 CB 1.328 14 residues pruned to eliminate duplicates Z: 14 6.169 1.585 0.551 0.344 0.846 0.462 CB 0.975 Z: 21 6.954 1.841 0.236 0.355 0.750 0.650 CA 1.066 21 residues pruned to eliminate duplicates Z: 17 15.685 1.804 0.605 0.585 0.938 0.688 CA 1.331 17 residues pruned to eliminate duplicates Z: 6 5.346 1.732 0.381 0.534 0.800 0.600 CB 1.209 6 residues pruned to eliminate duplicates Z: 11 11.506 1.819 0.241 0.914 1.000 1.000 CB 1.140 Z: 41 27.013 1.922 0.824 0.478 0.900 0.575 CA 1.385 41 residues pruned to eliminate duplicates Z: 38 35.769 2.104 0.674 0.659 1.000 0.703 CA 1.440 38 residues pruned to eliminate duplicates Z: 8 6.442 1.806 0.337 0.553 0.857 0.571 CA 1.117 7 residues pruned to eliminate duplicates Z: 14 5.186 1.702 0.623 0.321 0.615 0.462 CB 1.030 Z: 16 13.429 1.913 0.463 0.429 0.933 0.533 CB 1.429 16 residues pruned to eliminate duplicates Z: 13 13.965 1.786 0.741 0.574 1.000 0.667 CA 1.207 10 residues pruned to eliminate duplicates Z: 21 34.835 2.058 0.928 0.923 0.950 0.650 CB 1.452 21 residues pruned to eliminate duplicates Z: 11 12.011 1.722 0.716 0.879 0.900 0.700 CB 1.035 11 residues pruned to eliminate duplicates Z: 7 3.410 1.456 0.167 0.385 0.833 0.333 CA 1.111 7 residues pruned to eliminate duplicates Z: 6 3.799 1.689 0.262 0.350 0.800 0.600 CA 1.173 6 residues pruned to eliminate duplicates Z: 8 2.662 1.161 0.187 0.675 0.857 0.714 CA 0.725 Z: 12 13.018 1.957 0.270 0.581 0.909 0.545 CA 1.607 12 residues pruned to eliminate duplicates Z: 21 8.208 1.815 0.577 0.259 0.750 0.450 CB 1.126 37 residues pruned to eliminate duplicates Z: 17 11.303 1.798 0.449 0.401 0.938 0.688 CA 1.284 17 residues pruned to eliminate duplicates Z: 8 9.937 1.788 0.896 0.524 0.857 0.714 CA 1.263 8 residues pruned to eliminate duplicates Z: 11 14.695 1.869 0.682 0.598 1.000 0.600 CA 1.347 11 residues pruned to eliminate duplicates Z: 10 14.903 1.715 0.540 0.817 1.000 0.889 CA 1.428 10 residues pruned to eliminate duplicates Z: 20 6.962 1.665 0.279 0.462 0.842 0.474 CB 0.927 20 residues pruned to eliminate duplicates Z: 16 11.917 1.929 0.641 0.427 0.867 0.667 CA 1.209 16 residues pruned to eliminate duplicates Z: 19 33.790 2.081 1.008 0.912 0.944 0.556 CA 1.430 19 residues pruned to eliminate duplicates Z: 28 14.806 1.887 0.468 0.474 0.926 0.704 CB 1.140 27 residues pruned to eliminate duplicates Z: 7 9.240 1.767 0.964 0.535 0.833 0.500 CB 1.260 7 residues pruned to eliminate duplicates Z: 6 5.524 1.540 0.685 0.484 0.800 0.600 CA 1.209 Z: 13 11.081 1.952 0.491 0.505 0.833 0.667 CA 1.312 12 residues pruned to eliminate duplicates Z: 32 16.167 1.961 0.466 0.391 0.871 0.516 CB 1.301 32 residues pruned to eliminate duplicates Z: 7 2.899 1.400 0.211 0.388 0.667 0.500 CA 1.179 Z: 10 3.296 1.624 0.243 0.276 0.667 0.333 CB 1.051 Z: 20 48.076 2.336 1.043 0.943 1.000 0.684 CB 1.601 20 residues pruned to eliminate duplicates Z: 6 3.227 1.841 0.094 0.575 0.800 0.600 CB 0.833 6 residues pruned to eliminate duplicates Z: 8 4.508 1.591 0.110 0.317 1.000 0.571 N 1.180 7 residues pruned to eliminate duplicates Z: 12 16.382 1.935 0.653 0.826 1.000 0.455 CB 1.165 12 residues pruned to eliminate duplicates Z: 9 4.768 1.678 0.636 0.392 0.625 0.500 CB 1.102 6 residues pruned to eliminate duplicates Z: 6 5.467 1.629 0.452 0.738 0.800 0.800 CA 1.043 Z: 9 8.976 1.813 0.655 0.559 0.750 0.625 CA 1.331 9 residues pruned to eliminate duplicates Z: 9 7.875 1.699 0.473 0.660 0.875 0.750 CB 1.096 9 residues pruned to eliminate duplicates Z: 14 9.788 1.913 0.211 0.527 0.846 0.769 CB 1.348 14 residues pruned to eliminate duplicates Z: 6 5.648 1.688 0.954 0.695 0.800 0.800 CB 0.801 Z: 10 10.843 1.670 0.359 0.863 1.000 0.889 CA 1.168 10 residues pruned to eliminate duplicates Z: 11 7.545 1.668 0.607 0.440 0.800 0.500 CB 1.184 11 residues pruned to eliminate duplicates Z: 9 8.003 1.560 0.473 0.627 0.875 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 19 26.956 1.956 0.865 0.900 1.000 0.500 CB 1.244 19 residues pruned to eliminate duplicates Z: 22 15.983 1.806 0.714 0.354 0.952 0.571 N 1.386 22 residues pruned to eliminate duplicates Z: 23 11.865 1.906 0.482 0.379 0.864 0.591 CB 1.180 23 residues pruned to eliminate duplicates Z: 8 5.490 1.801 0.205 0.383 0.714 0.571 CB 1.515 Z: 18 9.030 1.965 0.551 0.385 0.765 0.412 CB 1.061 18 residues pruned to eliminate duplicates Z: 6 3.478 1.458 0.536 0.468 0.800 0.400 CB 0.897 Z: 7 6.942 1.781 0.807 0.510 0.833 0.667 CB 1.046 Z: 37 27.767 1.972 0.574 0.647 0.917 0.639 CB 1.418 37 residues pruned to eliminate duplicates Z: 7 7.326 1.869 0.601 0.677 0.833 0.833 CB 1.019 Z: 34 33.401 2.046 0.682 0.720 0.939 0.848 CB 1.475 34 residues pruned to eliminate duplicates 6 1.656 1.739 0.195 0.293 0.400 0.200 CB 1.122 ? Z: 9 14.580 2.000 0.704 0.882 0.875 0.250 CB 1.251 9 residues pruned to eliminate duplicates Z: 9 12.618 1.941 0.346 0.853 1.000 0.625 CB 1.263 9 residues pruned to eliminate duplicates Z: 20 32.315 2.096 0.769 0.910 0.947 0.579 CB 1.498 20 residues pruned to eliminate duplicates Z: 11 14.398 1.717 0.732 0.729 1.000 0.800 CB 1.246 6 residues pruned to eliminate duplicates Z: 16 21.684 2.175 0.537 0.524 1.000 0.733 CA 1.636 16 residues pruned to eliminate duplicates Z: 10 10.862 1.879 0.780 0.508 0.778 0.556 CA 1.382 10 residues pruned to eliminate duplicates Z: 31 26.987 2.057 0.795 0.432 0.967 0.567 CA 1.481 31 residues pruned to eliminate duplicates Z: 11 5.514 1.574 0.150 0.455 0.900 0.400 CB 1.121 10 residues pruned to eliminate duplicates Z: 19 37.490 2.006 1.184 0.919 0.944 0.333 CA 1.505 19 residues pruned to eliminate duplicates Z: 35 18.835 1.899 0.582 0.386 0.824 0.500 CB 1.474 35 residues pruned to eliminate duplicates Z: 9 4.924 1.578 0.075 0.445 0.875 0.500 N 1.242 8 residues pruned to eliminate duplicates Z: 8 4.589 1.665 0.818 0.449 0.714 0.571 CB 0.846 6 residues pruned to eliminate duplicates Z: 10 4.862 1.781 0.540 0.287 0.667 0.333 CB 1.127 10 residues pruned to eliminate duplicates Z: 8 7.289 1.813 0.413 0.577 0.857 0.571 CA 1.165 8 residues pruned to eliminate duplicates Z: 13 10.325 1.764 0.536 0.552 0.917 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 12 7.627 1.576 0.457 0.456 1.000 0.545 CB 1.047 12 residues pruned to eliminate duplicates Z: 9 12.400 1.786 0.473 0.785 1.000 0.750 CA 1.297 9 residues pruned to eliminate duplicates Z: 8 5.805 1.679 0.338 0.547 1.000 0.286 CB 0.933 8 residues pruned to eliminate duplicates Z: 9 6.832 1.793 0.314 0.615 0.875 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 16 7.987 1.892 0.309 0.412 0.800 0.667 CA 1.143 16 residues pruned to eliminate duplicates Z: 19 21.684 2.091 0.507 0.833 0.889 0.889 CB 1.369 19 residues pruned to eliminate duplicates Z: 29 10.981 1.938 0.283 0.369 0.786 0.393 CB 1.222 29 residues pruned to eliminate duplicates Z: 12 4.863 1.611 0.103 0.414 0.818 0.545 CB 1.104 14 residues pruned to eliminate duplicates Z: 10 11.633 1.906 0.694 0.586 1.000 0.778 CB 1.105 10 residues pruned to eliminate duplicates Z: 9 16.251 1.687 0.979 0.859 1.000 0.750 CB 1.267 9 residues pruned to eliminate duplicates Z: 25 31.118 2.091 0.589 0.754 0.958 0.833 CB 1.592 25 residues pruned to eliminate duplicates Z: 35 32.871 2.107 0.710 0.528 0.971 0.706 CA 1.569 35 residues pruned to eliminate duplicates Z: 6 2.145 1.425 0.096 0.298 0.800 0.400 CB 0.962 Z: 10 5.388 1.631 0.263 0.383 0.778 0.556 N 1.270 Z: 9 2.349 1.587 -0.154 0.383 1.000 0.375 CA 0.701 9 residues pruned to eliminate duplicates Z: 32 30.626 2.045 0.765 0.688 0.935 0.581 CA 1.371 32 residues pruned to eliminate duplicates Z: 9 9.824 1.827 0.529 0.434 0.875 0.625 CA 1.520 7 residues pruned to eliminate duplicates Z: 21 22.629 1.911 0.625 0.893 1.000 0.650 CB 1.170 21 residues pruned to eliminate duplicates Z: 7 3.016 1.435 0.124 0.360 0.833 0.500 C 1.065 Z: 23 21.228 2.102 0.932 0.360 0.955 0.500 CB 1.358 23 residues pruned to eliminate duplicates Z: 8 5.944 1.713 0.712 0.443 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 14 14.799 1.861 0.711 0.547 0.923 0.846 CA 1.334 14 residues pruned to eliminate duplicates Z: 6 4.794 1.787 0.033 0.709 1.000 1.000 CB 0.961 Z: 19 10.296 1.649 0.677 0.510 0.889 0.667 CB 0.978 20 residues pruned to eliminate duplicates Z: 21 19.717 1.866 0.770 0.595 0.900 0.800 CA 1.355 21 residues pruned to eliminate duplicates Z: 21 6.949 1.694 0.201 0.339 0.750 0.400 CA 1.214 21 residues pruned to eliminate duplicates Z: 6 4.042 1.396 0.481 0.850 1.000 0.800 CB 0.647 6 residues pruned to eliminate duplicates Z: 12 4.393 1.752 0.008 0.271 0.818 0.364 CB 1.190 12 residues pruned to eliminate duplicates Z: 11 4.113 1.453 0.293 0.380 0.800 0.500 CA 0.983 11 residues pruned to eliminate duplicates Z: 7 7.327 1.699 0.507 0.732 0.833 0.833 CB 1.138 Z: 12 8.515 1.920 0.346 0.342 0.909 0.455 CA 1.297 13 residues pruned to eliminate duplicates Z: 18 10.895 1.946 0.527 0.472 0.824 0.529 CB 1.111 18 residues pruned to eliminate duplicates Z: 13 18.201 2.026 0.742 0.619 0.917 0.750 CB 1.452 13 residues pruned to eliminate duplicates Z: 10 14.664 1.913 0.710 0.674 0.889 0.778 CB 1.432 10 residues pruned to eliminate duplicates Z: 12 15.966 1.896 0.592 0.606 0.909 0.818 CB 1.586 12 residues pruned to eliminate duplicates Z: 19 15.627 1.945 0.618 0.504 0.889 0.778 CB 1.312 16 residues pruned to eliminate duplicates Z: 6 6.194 1.548 0.544 0.786 0.800 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 14 5.608 1.617 0.458 0.365 0.769 0.462 CB 0.992 14 residues pruned to eliminate duplicates Z: 17 7.463 1.689 0.629 0.269 0.750 0.312 CB 1.175 31 residues pruned to eliminate duplicates Z: 31 13.399 1.959 0.588 0.366 0.767 0.600 CB 1.184 31 residues pruned to eliminate duplicates Z: 7 9.811 2.120 0.246 0.672 1.000 1.000 CA 1.294 7 residues pruned to eliminate duplicates Z: 12 5.924 1.832 0.310 0.368 0.727 0.455 CB 1.179 Z: 6 2.738 1.752 -0.270 0.652 0.800 0.600 N 1.039 Z: 58 33.816 2.091 0.668 0.485 0.877 0.579 CB 1.487 58 residues pruned to eliminate duplicates Z: 21 15.548 1.967 0.506 0.521 0.850 0.650 CB 1.353 21 residues pruned to eliminate duplicates Z: 11 5.439 1.661 0.407 0.449 0.600 0.500 N 1.293 8 residues pruned to eliminate duplicates Z: 8 6.220 1.620 0.115 0.578 1.000 0.429 C 1.208 7 residues pruned to eliminate duplicates Z: 10 7.187 1.854 0.781 0.293 0.889 0.556 CB 1.029 Z: 19 7.639 1.774 0.275 0.387 0.778 0.278 CA 1.155 19 residues pruned to eliminate duplicates Z: 18 20.860 2.044 0.401 0.908 0.941 0.824 CA 1.333 18 residues pruned to eliminate duplicates Z: 15 10.071 1.923 0.496 0.407 0.857 0.643 CA 1.203 15 residues pruned to eliminate duplicates Z: 10 5.126 1.741 0.150 0.444 0.889 0.333 CB 1.018 9 residues pruned to eliminate duplicates Z: 10 8.626 2.079 0.796 0.296 0.778 0.667 CB 1.244 10 residues pruned to eliminate duplicates Z: 16 15.906 1.972 0.285 0.870 1.000 0.800 CA 1.184 16 residues pruned to eliminate duplicates Z: 12 8.502 1.648 0.535 0.474 1.000 0.545 CA 1.040 12 residues pruned to eliminate duplicates Z: 10 5.742 1.920 0.288 0.373 0.667 0.444 CB 1.330 10 residues pruned to eliminate duplicates Z: 12 11.696 1.860 -0.014 0.906 1.000 0.909 CB 1.368 12 residues pruned to eliminate duplicates Z: 11 10.875 1.933 0.317 0.674 0.900 0.800 CA 1.279 11 residues pruned to eliminate duplicates Z: 30 33.429 2.011 0.660 0.749 1.000 0.897 CB 1.490 30 residues pruned to eliminate duplicates Z: 16 10.581 1.733 0.506 0.365 0.933 0.667 CB 1.297 16 residues pruned to eliminate duplicates Z: 8 6.936 1.660 0.666 0.747 0.857 0.857 CB 0.887 Z: 6 6.558 1.583 0.505 0.565 1.000 0.600 CB 1.155 Z: 14 9.229 1.790 0.413 0.402 0.846 0.462 CA 1.325 14 residues pruned to eliminate duplicates Z: 20 6.283 1.688 0.448 0.261 0.789 0.421 CB 0.981 20 residues pruned to eliminate duplicates Z: 16 9.123 1.762 0.624 0.407 0.800 0.467 CB 1.134 16 residues pruned to eliminate duplicates Z: 9 6.852 1.643 0.563 0.594 1.000 0.875 CB 0.863 9 residues pruned to eliminate duplicates Z: 11 8.961 1.815 0.527 0.869 1.000 0.500 CB 0.747 11 residues pruned to eliminate duplicates Z: 10 5.360 1.760 0.361 0.382 0.667 0.444 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 5.303 1.461 0.244 0.497 1.000 0.875 CA 1.035 9 residues pruned to eliminate duplicates Z: 12 8.183 1.892 0.801 0.438 1.000 0.364 CB 0.772 12 residues pruned to eliminate duplicates Z: 22 9.602 1.801 0.332 0.354 0.905 0.429 CB 1.130 22 residues pruned to eliminate duplicates Z: 12 17.409 2.027 0.769 0.631 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 11 6.741 1.664 0.665 0.499 0.900 0.700 CA 0.856 11 residues pruned to eliminate duplicates Z: 7 2.640 1.465 0.774 0.408 0.667 0.667 CB 0.684 Z: 7 11.924 1.900 0.272 0.824 1.000 1.000 CB 1.521 9 residues pruned to eliminate duplicates Z: 7 4.973 1.597 -0.004 0.519 1.000 0.667 O 1.252 Z: 9 12.337 1.727 0.624 0.712 1.000 0.875 CA 1.283 9 residues pruned to eliminate duplicates Z: 16 23.202 2.137 0.329 0.913 1.000 0.667 CB 1.493 16 residues pruned to eliminate duplicates 7 1.982 1.395 0.184 0.512 0.667 0.500 N 0.726 ? Z: 9 5.757 1.486 0.199 0.498 1.000 0.500 O 1.145 9 residues pruned to eliminate duplicates Z: 21 16.892 2.102 0.880 0.443 0.850 0.500 CB 1.192 21 residues pruned to eliminate duplicates Z: 10 5.392 1.581 0.619 0.188 0.778 0.444 N 1.314 10 residues pruned to eliminate duplicates 10 1.442 1.347 0.315 0.166 0.556 0.222 N 0.733 ? Z: 12 17.811 1.954 1.237 0.476 0.818 0.636 C 1.538 12 residues pruned to eliminate duplicates Z: 15 12.574 1.942 0.770 0.278 0.929 0.429 CA 1.354 15 residues pruned to eliminate duplicates Z: 24 13.836 1.868 0.591 0.337 0.913 0.565 CA 1.270 24 residues pruned to eliminate duplicates Z: 11 7.073 1.636 0.311 0.497 1.000 0.700 CB 1.046 Z: 12 7.356 1.830 0.784 0.403 0.818 0.636 CB 0.919 12 residues pruned to eliminate duplicates Z: 33 25.370 1.968 0.820 0.428 0.906 0.594 CA 1.489 32 residues pruned to eliminate duplicates Z: 6 7.232 1.995 0.049 0.515 1.000 0.600 CB 1.523 4 residues pruned to eliminate duplicates Z: 21 15.273 1.967 0.452 0.521 0.850 0.550 CB 1.378 21 residues pruned to eliminate duplicates Z: 12 8.578 2.096 0.410 0.370 0.818 0.455 CB 1.229 12 residues pruned to eliminate duplicates Z: 35 18.416 1.896 0.641 0.353 0.912 0.559 CB 1.306 34 residues pruned to eliminate duplicates Z: 23 26.176 1.926 0.611 0.889 1.000 0.773 CB 1.295 23 residues pruned to eliminate duplicates Z: 9 6.326 1.761 0.383 0.391 0.875 0.500 CB 1.177 9 residues pruned to eliminate duplicates Z: 15 10.178 1.822 0.379 0.410 0.929 0.571 CB 1.282 15 residues pruned to eliminate duplicates Z: 15 13.466 1.934 0.560 0.482 0.929 0.643 CA 1.308 15 residues pruned to eliminate duplicates Z: 14 11.622 1.950 1.027 0.360 0.769 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 7 7.998 1.712 0.362 0.842 1.000 0.833 CB 1.044 7 residues pruned to eliminate duplicates Z: 6 2.859 1.257 0.822 0.662 0.600 0.200 O 0.801 Z: 17 11.095 2.060 0.446 0.262 0.875 0.438 CB 1.396 17 residues pruned to eliminate duplicates Z: 19 25.614 1.971 0.789 0.939 1.000 0.722 CB 1.189 19 residues pruned to eliminate duplicates Z: 10 2.392 1.530 0.015 0.342 0.667 0.667 CA 0.914 3 residues pruned to eliminate duplicates Z: 16 33.922 2.166 0.908 0.915 1.000 0.733 CB 1.497 16 residues pruned to eliminate duplicates Z: 11 8.511 2.030 0.447 0.378 0.700 0.600 CA 1.492 11 residues pruned to eliminate duplicates Z: 8 6.832 1.822 0.482 0.389 0.857 0.571 CA 1.254 8 residues pruned to eliminate duplicates Z: 9 6.040 1.659 0.158 0.750 1.000 1.000 CB 0.890 10 residues pruned to eliminate duplicates Z: 10 9.290 1.871 0.624 0.466 0.889 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 11 9.307 1.686 0.572 0.559 0.800 0.700 CB 1.311 11 residues pruned to eliminate duplicates Z: 11 17.496 2.009 0.807 0.714 1.000 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 17 11.853 1.988 0.690 0.382 0.875 0.500 CB 1.143 17 residues pruned to eliminate duplicates Z: 10 9.248 1.891 0.295 0.460 1.000 0.444 CB 1.311 10 residues pruned to eliminate duplicates Z: 9 11.863 1.775 0.396 0.842 1.000 0.875 CA 1.261 9 residues pruned to eliminate duplicates Z: 6 4.255 1.412 0.461 0.446 1.000 0.400 CB 0.975 Z: 24 10.197 2.028 0.565 0.376 0.652 0.609 CB 1.172 24 residues pruned to eliminate duplicates Z: 10 6.036 1.566 0.434 0.545 0.889 0.667 CB 0.965 10 residues pruned to eliminate duplicates Z: 10 6.501 1.572 0.651 0.499 0.778 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 11 3.967 1.654 0.647 0.256 0.600 0.300 N 1.015 9 residues pruned to eliminate duplicates Z: 12 5.122 1.784 0.712 0.374 0.636 0.636 CB 0.910 12 residues pruned to eliminate duplicates Z: 6 4.521 1.726 -0.320 0.757 1.000 0.800 C 1.372 Z: 22 28.616 1.978 0.717 0.931 0.952 0.667 CB 1.349 22 residues pruned to eliminate duplicates Z: 14 12.143 1.753 0.803 0.566 0.846 0.615 CB 1.181 14 residues pruned to eliminate duplicates Z: 14 6.508 1.606 0.638 0.284 0.769 0.308 CB 1.138 12 residues pruned to eliminate duplicates Z: 10 2.851 1.420 0.397 0.260 0.667 0.444 CB 0.945 Z: 15 12.460 1.961 0.416 0.464 0.857 0.643 CA 1.452 15 residues pruned to eliminate duplicates Z: 35 15.070 1.978 0.522 0.343 0.765 0.500 CB 1.331 35 residues pruned to eliminate duplicates Z: 20 31.360 2.003 0.988 0.913 0.947 0.526 CA 1.349 20 residues pruned to eliminate duplicates Z: 9 9.091 1.869 0.537 0.360 0.875 0.625 CA 1.487 9 residues pruned to eliminate duplicates Z: 7 3.643 1.624 0.286 0.447 0.833 0.833 CA 0.902 7 residues pruned to eliminate duplicates Z: 8 7.338 1.999 0.285 0.352 1.000 0.571 CB 1.267 8 residues pruned to eliminate duplicates Z: 9 7.551 1.920 0.255 0.488 0.875 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 33 17.384 1.864 0.513 0.375 0.906 0.594 CB 1.375 41 residues pruned to eliminate duplicates Z: 8 4.577 1.614 0.399 0.693 0.857 0.857 N 0.749 Z: 11 7.589 1.968 0.190 0.491 0.800 0.400 CB 1.293 11 residues pruned to eliminate duplicates Z: 7 2.622 1.337 0.285 0.490 0.667 0.667 CB 0.944 7 residues pruned to eliminate duplicates Z: 23 14.219 1.974 0.519 0.360 0.864 0.545 CA 1.361 23 residues pruned to eliminate duplicates Z: 10 11.971 1.708 0.892 0.770 0.889 0.444 CA 1.094 10 residues pruned to eliminate duplicates Z: 8 2.135 1.242 0.417 0.316 0.857 0.429 CB 0.656 Z: 41 17.114 1.976 0.630 0.327 0.825 0.450 CB 1.231 41 residues pruned to eliminate duplicates Z: 26 18.003 2.075 0.513 0.291 0.880 0.560 CA 1.648 26 residues pruned to eliminate duplicates Z: 34 36.516 2.130 0.810 0.657 0.970 0.545 CA 1.469 34 residues pruned to eliminate duplicates Z: 7 3.377 1.522 -0.050 0.666 0.833 0.667 CB 0.982 Z: 28 11.694 1.841 0.630 0.356 0.741 0.593 CB 1.184 28 residues pruned to eliminate duplicates Z: 34 24.856 2.002 0.881 0.382 0.909 0.455 CA 1.433 34 residues pruned to eliminate duplicates Z: 53 42.338 2.151 0.841 0.534 0.923 0.596 CB 1.553 53 residues pruned to eliminate duplicates Z: 8 5.030 1.628 0.255 0.511 0.857 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 13 6.246 1.717 0.431 0.379 0.667 0.250 CB 1.252 14 residues pruned to eliminate duplicates Z: 8 3.296 1.473 1.005 0.346 0.857 0.429 CB 0.582 Z: 26 19.592 1.929 0.287 0.611 0.960 0.760 CB 1.479 32 residues pruned to eliminate duplicates Z: 8 3.446 1.412 0.289 0.407 0.857 0.429 C 0.921 8 residues pruned to eliminate duplicates Z: 26 19.460 2.081 0.826 0.281 0.920 0.480 CB 1.426 26 residues pruned to eliminate duplicates Z: 13 17.896 1.831 0.787 0.921 1.000 0.667 CB 1.112 13 residues pruned to eliminate duplicates Z: 31 28.492 2.017 0.856 0.459 1.000 0.667 CA 1.449 32 residues pruned to eliminate duplicates Z: 6 4.505 1.620 0.358 0.760 0.800 0.800 CB 0.908 6 residues pruned to eliminate duplicates Z: 9 4.454 1.672 0.680 0.391 0.750 0.500 CB 0.839 9 residues pruned to eliminate duplicates Z: 8 5.807 1.484 0.499 0.463 1.000 0.429 CB 1.025 6 0.247 1.096 0.040 0.313 0.800 0.400 CB 0.149 ? Z: 8 5.756 1.859 0.313 0.337 0.857 0.429 CA 1.242 19 residues pruned to eliminate duplicates Z: 13 6.811 1.711 0.388 0.392 0.833 0.417 CB 1.114 13 residues pruned to eliminate duplicates Z: 21 36.841 2.096 0.892 0.938 1.000 0.600 CB 1.444 21 residues pruned to eliminate duplicates Z: 6 6.167 1.930 0.656 0.290 0.800 0.600 N 1.365 6 residues pruned to eliminate duplicates Z: 21 13.262 1.782 0.685 0.480 0.700 0.550 CB 1.440 21 residues pruned to eliminate duplicates Z: 18 33.203 2.060 1.138 0.936 1.000 0.706 CB 1.273 18 residues pruned to eliminate duplicates Z: 16 7.999 2.037 0.355 0.243 0.867 0.467 CB 1.161 16 residues pruned to eliminate duplicates Z: 6 6.193 1.879 0.419 0.523 0.800 0.200 CA 1.269 6 residues pruned to eliminate duplicates Z: 6 2.753 1.481 0.357 0.462 0.600 0.200 CB 1.061 Z: 26 19.992 1.971 0.770 0.495 0.920 0.560 CB 1.252 26 residues pruned to eliminate duplicates Z: 25 13.762 1.968 0.718 0.382 0.708 0.542 CB 1.330 25 residues pruned to eliminate duplicates Z: 13 6.141 1.863 0.454 0.305 0.667 0.667 CB 1.219 13 residues pruned to eliminate duplicates Z: 9 14.894 1.759 0.596 0.867 1.000 0.500 N 1.372 9 residues pruned to eliminate duplicates Z: 21 17.261 2.090 0.909 0.322 0.850 0.600 CB 1.385 21 residues pruned to eliminate duplicates Z: 6 2.812 1.591 0.577 0.461 0.800 0.400 CB 0.652 Z: 10 5.033 1.365 0.367 0.484 0.778 0.556 N 1.176 Z: 12 8.415 1.732 0.382 0.584 0.818 0.727 CA 1.195 11 residues pruned to eliminate duplicates Z: 10 14.765 1.907 0.838 0.716 1.000 0.778 CB 1.154 Z: 7 2.488 1.460 -0.033 0.407 0.667 0.167 C 1.190 Z: 13 5.037 1.431 0.457 0.340 0.833 0.417 CA 0.997 Z: 7 6.279 1.672 0.639 0.538 0.833 0.667 N 1.082 7 residues pruned to eliminate duplicates Z: 8 9.198 1.748 0.350 0.694 0.857 0.857 CB 1.439 8 residues pruned to eliminate duplicates Z: 10 13.250 1.800 0.947 0.700 0.889 0.333 CA 1.182 10 residues pruned to eliminate duplicates Z: 11 8.581 1.882 0.441 0.387 1.000 0.600 CA 1.129 11 residues pruned to eliminate duplicates Z: 9 4.038 1.589 0.640 0.548 0.875 0.750 CB 0.597 9 residues pruned to eliminate duplicates Z: 10 3.999 1.459 0.422 0.359 0.778 0.333 N 0.962 Z: 15 13.702 1.951 0.672 0.452 0.857 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 7 3.313 1.373 0.617 0.332 0.667 0.500 CB 1.098 7 residues pruned to eliminate duplicates Z: 32 18.514 2.095 0.593 0.386 0.839 0.548 CB 1.342 32 residues pruned to eliminate duplicates Z: 16 8.803 1.771 0.229 0.379 0.800 0.467 CA 1.484 16 residues pruned to eliminate duplicates Z: 16 8.335 1.688 0.635 0.445 0.867 0.667 CA 0.952 23 residues pruned to eliminate duplicates Z: 6 2.309 1.521 -0.226 0.458 0.800 0.800 CA 1.145 Z: 6 2.179 1.440 0.126 0.117 0.800 0.400 O 1.217 Z: 13 5.986 1.683 0.586 0.382 0.833 0.417 CB 0.881 12 residues pruned to eliminate duplicates Z: 7 4.467 1.577 0.575 0.400 0.833 0.500 N 0.978 Z: 6 2.330 1.511 -0.136 0.488 0.800 0.400 N 1.010 Z: 6 2.950 1.572 0.202 0.334 0.800 0.600 CB 1.047 Z: 26 30.528 2.079 0.480 0.736 0.960 0.840 CA 1.673 26 residues pruned to eliminate duplicates Z: 12 3.899 1.690 0.206 0.375 0.727 0.455 CB 0.906 12 residues pruned to eliminate duplicates Z: 15 11.604 1.731 0.393 0.859 0.929 0.714 CB 1.020 15 residues pruned to eliminate duplicates Z: 7 4.096 1.461 0.387 0.383 0.833 0.500 CB 1.121 Z: 13 4.207 1.340 0.339 0.337 0.833 0.333 CB 0.970 Z: 7 6.582 1.608 0.948 0.518 0.667 0.667 CA 1.264 5 residues pruned to eliminate duplicates Z: 10 4.229 1.488 0.350 0.401 0.889 0.444 CB 0.876 Z: 7 7.705 1.780 0.292 0.478 1.000 0.833 CA 1.399 7 residues pruned to eliminate duplicates Z: 29 17.611 2.065 0.708 0.233 0.893 0.464 CB 1.442 29 residues pruned to eliminate duplicates Z: 33 29.059 1.959 0.616 0.762 0.969 0.750 CA 1.327 33 residues pruned to eliminate duplicates Z: 7 3.275 1.479 0.359 0.290 0.833 0.667 N 1.010 Z: 7 3.615 1.509 0.484 0.342 0.667 0.500 CA 1.174 Z: 11 10.683 1.851 0.554 0.549 0.900 0.700 CA 1.244 11 residues pruned to eliminate duplicates Z: 6 2.514 1.321 0.345 0.269 0.800 0.400 N 1.029 Z: 8 4.802 1.495 0.335 0.577 0.857 0.571 CA 0.985 8 residues pruned to eliminate duplicates Z: 10 3.031 1.679 0.467 0.250 0.667 0.556 CB 0.820 10 residues pruned to eliminate duplicates Z: 8 3.753 1.420 0.804 0.280 0.857 0.571 CA 0.829 8 residues pruned to eliminate duplicates Z: 8 4.858 2.006 0.211 0.478 1.000 0.714 CB 0.773 8 residues pruned to eliminate duplicates 9 1.555 1.347 0.127 0.521 0.875 0.625 CB 0.405 ? Z: 36 16.670 1.849 0.595 0.368 0.829 0.514 CB 1.329 36 residues pruned to eliminate duplicates Z: 13 7.180 1.805 0.534 0.424 0.750 0.500 CB 1.081 10 residues pruned to eliminate duplicates 6 1.455 1.456 0.316 0.482 0.800 0.800 N 0.432 ? Z: 17 10.252 1.681 0.550 0.411 0.938 0.625 CB 1.152 17 residues pruned to eliminate duplicates Z: 13 33.963 2.312 0.979 0.932 1.000 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 32 14.600 1.954 0.672 0.339 0.806 0.419 CB 1.186 32 residues pruned to eliminate duplicates 7 1.880 1.557 0.448 0.482 0.833 0.833 CB 0.416 ? Z: 13 12.289 1.898 0.528 0.508 0.917 0.833 CA 1.324 14 residues pruned to eliminate duplicates Z: 19 17.847 2.003 0.638 0.502 0.889 0.444 CA 1.440 19 residues pruned to eliminate duplicates Z: 17 11.993 1.732 0.305 0.520 0.938 0.688 CB 1.388 19 residues pruned to eliminate duplicates Z: 6 2.639 1.470 0.395 0.239 0.800 0.600 CA 0.974 Z: 29 18.833 1.995 0.594 0.445 0.929 0.607 CB 1.275 29 residues pruned to eliminate duplicates Z: 23 35.967 2.215 0.832 0.808 1.000 0.773 CB 1.445 23 residues pruned to eliminate duplicates Z: 7 3.719 1.583 0.974 0.298 0.667 0.333 CB 0.913 Z: 21 34.753 2.009 1.124 0.931 0.900 0.500 CA 1.414 21 residues pruned to eliminate duplicates Z: 6 3.929 1.715 0.239 0.485 0.800 0.400 CB 1.050 6 residues pruned to eliminate duplicates Z: 22 17.346 2.135 0.430 0.483 0.857 0.524 CB 1.472 22 residues pruned to eliminate duplicates Z: 21 12.772 1.952 0.609 0.366 0.800 0.500 CB 1.313 21 residues pruned to eliminate duplicates Z: 7 3.611 1.837 0.577 0.199 0.667 0.333 CA 1.091 Z: 28 15.272 1.854 0.528 0.457 0.815 0.481 CA 1.330 28 residues pruned to eliminate duplicates Z: 7 2.326 1.620 0.093 0.382 0.667 0.333 CB 0.912 8 1.576 1.591 0.259 0.071 0.571 0.429 CB 0.911 ? Z: 11 4.257 1.580 0.252 0.358 0.800 0.400 CA 0.992 Z: 6 2.421 1.198 1.211 0.298 0.600 0.600 CB 0.854 Z: 6 5.021 1.508 0.987 0.341 0.800 0.400 CA 1.114 Z: 9 4.162 1.588 0.336 0.292 0.750 0.500 CB 1.167 Z: 12 14.227 2.088 0.623 0.446 0.909 0.727 CA 1.471 12 residues pruned to eliminate duplicates Z: 10 20.346 1.978 0.869 0.808 1.000 0.778 CA 1.403 10 residues pruned to eliminate duplicates Z: 22 10.263 1.788 0.538 0.358 0.857 0.476 CB 1.107 22 residues pruned to eliminate duplicates Z: 7 3.714 1.421 0.581 0.474 0.667 0.500 C 1.039 Z: 8 9.486 2.009 1.199 0.282 0.714 0.286 CB 1.454 8 residues pruned to eliminate duplicates Z: 7 2.656 1.554 0.409 0.172 0.667 0.333 CB 1.105 Z: 15 12.505 1.897 0.548 0.506 0.857 0.643 CB 1.319 15 residues pruned to eliminate duplicates Z: 9 9.948 1.764 0.456 0.523 0.875 0.750 CB 1.530 9 residues pruned to eliminate duplicates Z: 21 45.968 2.272 1.041 0.936 1.000 0.750 CB 1.544 21 residues pruned to eliminate duplicates Z: 6 4.176 1.785 0.212 0.502 0.800 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 8 3.440 1.466 0.244 0.288 1.000 0.714 CB 0.905 Z: 8 5.117 1.831 0.454 0.266 0.857 0.286 CB 1.106 8 residues pruned to eliminate duplicates Z: 7 6.876 1.515 0.752 0.645 0.833 0.500 O 1.107 7 residues pruned to eliminate duplicates Z: 39 30.637 2.121 0.810 0.482 0.921 0.553 CB 1.432 39 residues pruned to eliminate duplicates Z: 9 8.798 1.991 0.272 0.504 0.875 0.625 CA 1.398 9 residues pruned to eliminate duplicates Z: 11 9.218 1.846 0.682 0.391 0.800 0.600 CA 1.318 11 residues pruned to eliminate duplicates Z: 6 4.409 1.664 0.028 0.586 1.000 0.400 CB 1.062 6 residues pruned to eliminate duplicates 6 1.878 1.086 0.721 0.389 0.800 0.400 O 0.632 ? Z: 6 2.535 1.193 0.264 0.780 1.000 0.800 CB 0.588 Z: 25 9.813 1.699 0.306 0.310 0.875 0.458 CA 1.274 25 residues pruned to eliminate duplicates 6 1.462 1.286 -0.063 0.235 0.800 0.600 N 0.923 ? Z: 9 4.507 1.452 0.550 0.346 0.750 0.375 CB 1.116 Z: 7 4.767 1.132 0.427 0.707 1.000 0.667 N 0.998 Z: 6 4.748 1.740 0.469 0.648 0.800 0.800 CA 0.904 Z: 6 4.832 1.707 0.253 0.788 0.800 0.600 CB 0.980 7 residues pruned to eliminate duplicates 6 1.836 1.353 -0.060 0.278 1.000 0.600 CB 0.830 ? Z: 9 15.349 1.822 0.590 0.856 1.000 0.750 CA 1.382 9 residues pruned to eliminate duplicates Z: 9 3.448 1.574 0.007 0.452 0.750 0.625 CB 1.077 9 residues pruned to eliminate duplicates Z: 11 8.710 1.813 0.544 0.446 0.800 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 8 10.428 1.825 0.428 0.736 1.000 0.714 CA 1.223 8 residues pruned to eliminate duplicates Z: 6 7.948 1.810 0.630 0.500 1.000 0.800 CA 1.205 6 residues pruned to eliminate duplicates Z: 28 16.868 1.758 0.544 0.664 0.815 0.704 CB 1.261 28 residues pruned to eliminate duplicates Z: 7 5.224 1.607 0.223 0.731 1.000 1.000 CB 0.881 7 residues pruned to eliminate duplicates Z: 9 2.830 1.341 0.547 0.301 0.875 0.375 CB 0.688 Z: 12 11.159 1.842 0.315 0.576 1.000 0.636 CB 1.291 12 residues pruned to eliminate duplicates Z: 9 5.245 1.553 0.519 0.503 0.750 0.625 CA 1.045 9 residues pruned to eliminate duplicates Z: 9 5.573 1.532 0.617 0.483 0.750 0.750 CB 1.078 8 residues pruned to eliminate duplicates Z: 6 5.769 1.597 0.644 0.622 0.800 0.800 CA 1.094 6 residues pruned to eliminate duplicates Z: 10 10.263 1.709 0.251 0.885 1.000 0.778 CB 1.155 10 residues pruned to eliminate duplicates Z: 7 2.876 1.471 0.215 0.301 0.833 0.333 CA 0.985 7 residues pruned to eliminate duplicates Z: 6 3.039 1.549 0.269 0.296 0.800 0.400 C 1.086 Z: 6 2.685 1.333 0.145 0.503 1.000 0.800 CB 0.784 Z: 10 7.343 2.019 0.735 0.357 0.667 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 12 6.492 1.542 0.285 0.589 0.909 0.545 CA 0.998 25 residues pruned to eliminate duplicates Z: 8 4.517 1.692 0.438 0.665 0.857 0.571 CB 0.703 6 1.574 0.959 0.696 0.343 0.800 0.400 C 0.642 ? Z: 14 10.424 1.772 0.524 0.472 0.846 0.692 CA 1.301 14 residues pruned to eliminate duplicates Z: 13 8.181 1.816 0.225 0.386 0.917 0.417 CA 1.308 13 residues pruned to eliminate duplicates Z: 32 32.819 2.024 0.682 0.705 0.968 0.581 CB 1.484 32 residues pruned to eliminate duplicates Z: 10 11.556 1.762 0.355 0.873 1.000 0.667 CB 1.175 10 residues pruned to eliminate duplicates 6 1.867 1.206 0.417 0.403 0.800 0.600 C 0.677 ? Z: 7 2.999 1.525 0.058 0.530 1.000 0.500 CB 0.737 Using tripeptides from previous cycle as seeds Z: 6 2.779 1.447 0.150 0.483 1.000 0.400 CA 0.760 6 residues pruned to eliminate duplicates Z: 7 3.139 1.857 0.294 0.215 0.667 0.667 CB 1.119 7 residues pruned to eliminate duplicates Z: 10 4.250 1.760 0.634 0.208 0.667 0.444 CB 1.044 8 residues pruned to eliminate duplicates Z: 6 6.473 1.731 0.546 0.337 1.000 0.800 CB 1.291 6 residues pruned to eliminate duplicates Z: 9 6.959 2.002 0.458 0.322 1.000 0.375 CB 1.025 9 residues pruned to eliminate duplicates Z: 8 3.554 2.017 -0.028 0.392 0.857 0.714 CB 0.896 8 residues pruned to eliminate duplicates Z: 7 8.820 2.022 0.585 0.457 1.000 0.833 CB 1.174 7 residues pruned to eliminate duplicates Z: 13 5.140 1.874 0.011 0.261 0.833 0.583 CB 1.234 13 residues pruned to eliminate duplicates Z: 12 5.168 1.933 0.232 0.284 0.818 0.636 CB 1.019 12 residues pruned to eliminate duplicates Z: 20 7.628 1.930 0.265 0.231 0.737 0.316 CB 1.331 52 residues pruned to eliminate duplicates Z: 8 3.474 2.096 0.191 0.286 0.714 0.571 CB 0.938 Z: 7 4.429 1.513 0.373 0.555 0.833 0.500 CA 0.990 7 residues pruned to eliminate duplicates Z: 12 7.378 1.888 0.652 0.341 0.636 0.545 CB 1.334 12 residues pruned to eliminate duplicates Z: 13 5.046 1.802 0.405 0.300 0.750 0.417 CB 0.960 13 residues pruned to eliminate duplicates Z: 7 4.717 1.618 0.734 0.502 0.667 0.333 CA 1.028 7 residues pruned to eliminate duplicates Z: 22 15.218 1.769 0.642 0.452 0.952 0.571 CB 1.261 23 residues pruned to eliminate duplicates Z: 6 7.356 1.613 0.891 0.428 1.000 0.600 N 1.162 6 residues pruned to eliminate duplicates Z: 15 10.204 1.774 0.702 0.402 0.786 0.571 N 1.275 15 residues pruned to eliminate duplicates Z: 21 16.041 1.833 0.606 0.523 0.950 0.700 CB 1.254 21 residues pruned to eliminate duplicates Z: 20 14.746 1.851 0.489 0.504 0.947 0.526 CB 1.290 20 residues pruned to eliminate duplicates Z: 7 3.685 1.350 1.195 0.486 0.833 0.500 CB 0.618 7 residues pruned to eliminate duplicates Z: 31 18.827 1.803 0.687 0.497 0.933 0.667 CB 1.214 31 residues pruned to eliminate duplicates Z: 7 3.040 1.290 0.343 0.382 1.000 0.333 O 0.812 5 residues pruned to eliminate duplicates Z: 13 10.050 1.778 0.281 0.724 1.000 0.833 CB 1.041 11 residues pruned to eliminate duplicates Z: 10 11.834 1.818 0.394 0.877 0.889 0.667 CB 1.272 10 residues pruned to eliminate duplicates Z: 12 10.001 1.858 0.567 0.562 0.727 0.727 CA 1.341 11 residues pruned to eliminate duplicates Z: 11 12.801 1.753 0.399 0.849 1.000 0.900 CA 1.223 11 residues pruned to eliminate duplicates Z: 8 13.612 2.129 0.537 0.469 1.000 0.571 CB 1.623 10 residues pruned to eliminate duplicates Z: 6 4.285 1.568 1.142 0.267 0.800 0.600 CA 0.930 6 residues pruned to eliminate duplicates Z: 24 10.235 1.853 0.579 0.215 0.783 0.348 CB 1.304 41 residues pruned to eliminate duplicates Z: 6 3.880 1.404 0.671 0.650 0.800 0.400 N 0.804 6 residues pruned to eliminate duplicates Z: 31 22.514 2.145 0.705 0.362 0.933 0.500 CB 1.396 31 residues pruned to eliminate duplicates Z: 31 20.470 2.154 0.576 0.392 0.900 0.567 CB 1.371 31 residues pruned to eliminate duplicates Z: 40 18.390 2.019 0.630 0.383 0.795 0.462 CB 1.274 40 residues pruned to eliminate duplicates Z: 20 16.291 2.197 0.640 0.288 0.895 0.421 CA 1.471 20 residues pruned to eliminate duplicates Z: 28 18.166 2.057 0.655 0.260 0.852 0.296 CA 1.587 28 residues pruned to eliminate duplicates Z: 52 33.946 2.078 0.670 0.524 0.902 0.647 CB 1.483 52 residues pruned to eliminate duplicates Z: 35 28.781 1.955 0.680 0.618 0.912 0.735 CA 1.474 35 residues pruned to eliminate duplicates Z: 32 25.621 2.040 0.409 0.610 0.903 0.742 CB 1.597 32 residues pruned to eliminate duplicates Z: 53 37.927 2.107 0.722 0.491 0.942 0.654 CB 1.552 53 residues pruned to eliminate duplicates Z: 52 38.033 2.114 0.772 0.502 0.922 0.588 CB 1.540 52 residues pruned to eliminate duplicates Z: 24 13.980 1.887 0.454 0.297 0.957 0.522 CA 1.394 24 residues pruned to eliminate duplicates Z: 56 33.221 2.004 0.612 0.604 0.909 0.745 CB 1.382 56 residues pruned to eliminate duplicates Z: 36 34.785 1.975 0.728 0.700 0.971 0.886 CB 1.477 36 residues pruned to eliminate duplicates Z: 51 32.784 2.136 0.568 0.488 0.920 0.640 CB 1.523 51 residues pruned to eliminate duplicates Z: 34 28.258 1.945 0.706 0.661 0.909 0.667 CB 1.404 34 residues pruned to eliminate duplicates Z: 33 31.953 1.992 0.603 0.616 1.000 0.719 CB 1.586 33 residues pruned to eliminate duplicates Z: 37 30.628 1.902 0.750 0.603 0.944 0.667 CA 1.472 37 residues pruned to eliminate duplicates Z: 38 29.183 1.924 0.738 0.576 0.919 0.730 CA 1.451 38 residues pruned to eliminate duplicates Z: 34 31.531 1.959 0.628 0.691 0.939 0.758 CB 1.539 34 residues pruned to eliminate duplicates Z: 24 31.676 2.026 0.818 0.777 0.957 0.826 CB 1.468 24 residues pruned to eliminate duplicates Z: 22 27.526 2.076 0.723 0.710 0.905 0.714 CB 1.533 22 residues pruned to eliminate duplicates Z: 41 35.162 1.980 0.726 0.685 0.975 0.675 CB 1.409 41 residues pruned to eliminate duplicates Z: 28 39.317 2.066 0.899 0.756 0.963 0.741 CB 1.594 28 residues pruned to eliminate duplicates Z: 34 30.514 1.955 0.630 0.627 0.970 0.667 CB 1.526 34 residues pruned to eliminate duplicates Z: 54 35.830 2.090 0.741 0.509 0.887 0.566 CB 1.511 54 residues pruned to eliminate duplicates Z: 39 28.851 2.018 0.616 0.616 0.921 0.684 CB 1.396 39 residues pruned to eliminate duplicates Z: 53 39.559 2.118 0.786 0.511 0.923 0.596 CB 1.553 53 residues pruned to eliminate duplicates Z: 31 27.255 2.041 0.703 0.528 0.867 0.600 CA 1.606 31 residues pruned to eliminate duplicates Z: 26 30.370 2.116 0.849 0.613 0.920 0.760 CA 1.516 26 residues pruned to eliminate duplicates Z: 56 40.358 2.112 0.720 0.506 0.982 0.618 CB 1.516 55 residues pruned to eliminate duplicates Z: 7 5.186 1.573 0.277 0.384 1.000 0.667 CA 1.192 7 residues pruned to eliminate duplicates Z: 17 14.219 2.111 0.956 0.224 0.875 0.375 CA 1.360 17 residues pruned to eliminate duplicates Z: 32 27.117 2.100 0.797 0.402 0.968 0.548 CB 1.479 32 residues pruned to eliminate duplicates Z: 31 25.526 2.159 0.832 0.395 0.933 0.533 CB 1.411 31 residues pruned to eliminate duplicates Z: 7 5.811 1.761 1.064 0.359 0.833 0.500 CA 0.912 7 residues pruned to eliminate duplicates Z: 33 22.432 2.098 0.749 0.370 0.906 0.531 CB 1.370 33 residues pruned to eliminate duplicates Z: 37 25.138 2.009 0.792 0.429 0.889 0.500 CB 1.408 37 residues pruned to eliminate duplicates Z: 31 23.371 2.130 0.611 0.413 0.933 0.533 CB 1.459 31 residues pruned to eliminate duplicates Z: 24 17.688 2.143 0.858 0.313 0.826 0.478 CB 1.379 24 residues pruned to eliminate duplicates Z: 15 12.198 2.207 0.611 0.169 0.929 0.429 CA 1.477 15 residues pruned to eliminate duplicates Z: 30 20.077 2.127 0.614 0.381 0.862 0.448 CB 1.430 30 residues pruned to eliminate duplicates Z: 22 22.212 2.215 0.968 0.294 0.952 0.619 CB 1.470 22 residues pruned to eliminate duplicates Z: 19 19.348 2.089 0.576 0.552 0.944 0.667 CB 1.394 19 residues pruned to eliminate duplicates Z: 32 20.910 2.104 0.722 0.328 0.903 0.484 CB 1.387 32 residues pruned to eliminate duplicates Z: 10 11.937 1.718 0.587 0.814 0.889 0.556 CA 1.249 10 residues pruned to eliminate duplicates Z: 29 24.163 2.105 0.793 0.415 0.964 0.536 CB 1.372 29 residues pruned to eliminate duplicates Z: 9 4.260 1.715 0.388 0.438 0.750 0.375 N 0.899 Z: 6 3.374 1.207 0.238 0.588 1.000 0.200 CA 0.928 Z: 6 4.894 1.658 0.471 0.598 1.000 0.600 CA 0.817 6 residues pruned to eliminate duplicates Z: 6 3.378 1.300 0.959 0.473 1.000 1.000 CA 0.610 6 residues pruned to eliminate duplicates Z: 49 38.711 1.978 0.722 0.681 0.958 0.771 CA 1.450 40 residues pruned to eliminate duplicates Z: 8 6.309 1.551 0.591 0.443 0.857 0.429 CB 1.196 Z: 37 29.207 2.009 0.627 0.648 0.889 0.722 CA 1.460 45 residues pruned to eliminate duplicates Z: 23 33.622 2.097 0.742 0.837 1.000 0.773 CB 1.468 23 residues pruned to eliminate duplicates Z: 33 31.217 2.061 0.679 0.632 0.938 0.750 CB 1.503 33 residues pruned to eliminate duplicates Z: 32 30.253 2.034 0.641 0.640 0.935 0.677 CA 1.527 32 residues pruned to eliminate duplicates Z: 38 31.251 1.998 0.652 0.651 0.919 0.730 CA 1.472 36 residues pruned to eliminate duplicates Z: 20 25.267 2.086 0.485 0.869 0.895 0.684 CB 1.527 20 residues pruned to eliminate duplicates Z: 26 31.788 2.141 0.580 0.754 0.960 0.720 CA 1.561 26 residues pruned to eliminate duplicates Z: 28 31.749 2.107 0.741 0.685 0.926 0.630 CB 1.517 28 residues pruned to eliminate duplicates Z: 32 37.086 2.064 0.826 0.713 0.968 0.677 CB 1.506 32 residues pruned to eliminate duplicates Z: 28 37.446 2.086 0.843 0.788 0.963 0.778 CB 1.511 28 residues pruned to eliminate duplicates Z: 34 36.704 2.045 0.727 0.715 0.970 0.788 CB 1.535 34 residues pruned to eliminate duplicates Z: 27 36.213 2.130 0.731 0.724 0.962 0.769 CB 1.636 27 residues pruned to eliminate duplicates Z: 35 37.360 2.027 0.811 0.715 0.971 0.706 CB 1.481 38 residues pruned to eliminate duplicates Z: 22 38.975 2.060 0.938 0.926 1.000 0.714 CB 1.494 22 residues pruned to eliminate duplicates Z: 31 35.638 2.027 0.847 0.645 0.967 0.667 CA 1.570 31 residues pruned to eliminate duplicates Z: 27 32.094 2.123 0.810 0.722 0.962 0.462 CB 1.394 27 residues pruned to eliminate duplicates Z: 41 34.366 1.979 0.738 0.591 0.950 0.550 CB 1.523 41 residues pruned to eliminate duplicates Z: 22 39.924 2.051 1.006 0.943 1.000 0.714 CB 1.468 24 residues pruned to eliminate duplicates Z: 21 39.339 2.121 0.951 0.908 1.000 0.800 CB 1.510 21 residues pruned to eliminate duplicates Z: 73 52.179 2.047 0.868 0.615 0.972 0.611 CB 1.484 75 residues pruned to eliminate duplicates Z: 22 38.053 2.042 0.867 0.932 1.000 0.571 CB 1.520 22 residues pruned to eliminate duplicates Z: 34 39.661 2.048 0.765 0.696 1.000 0.727 CB 1.596 34 residues pruned to eliminate duplicates Z: 18 11.593 1.700 0.437 0.570 0.941 0.706 CA 1.143 18 residues pruned to eliminate duplicates Z: 32 23.495 1.930 0.672 0.454 0.935 0.581 CA 1.465 32 residues pruned to eliminate duplicates Z: 11 3.704 1.577 0.346 0.133 0.800 0.300 CB 1.091 11 residues pruned to eliminate duplicates Z: 31 16.305 1.790 0.454 0.475 0.867 0.467 CB 1.354 31 residues pruned to eliminate duplicates Z: 45 37.325 1.947 0.731 0.728 1.000 0.727 CB 1.359 45 residues pruned to eliminate duplicates Z: 32 33.646 2.038 1.007 0.522 1.000 0.548 CA 1.447 32 residues pruned to eliminate duplicates Z: 21 11.170 1.592 0.416 0.643 0.850 0.500 CB 1.140 21 residues pruned to eliminate duplicates Z: 17 10.456 1.714 0.560 0.507 0.812 0.562 CB 1.195 17 residues pruned to eliminate duplicates Z: 71 49.021 2.042 0.812 0.606 0.943 0.557 CB 1.518 31 residues pruned to eliminate duplicates Z: 10 13.131 1.791 0.931 0.894 1.000 0.667 CB 0.908 10 residues pruned to eliminate duplicates Z: 12 13.373 1.725 0.934 0.791 0.909 0.727 CB 1.030 12 residues pruned to eliminate duplicates Z: 35 29.318 1.962 0.897 0.502 0.912 0.588 CB 1.479 35 residues pruned to eliminate duplicates Z: 41 33.664 1.996 0.827 0.533 0.975 0.575 CB 1.450 40 residues pruned to eliminate duplicates Z: 11 11.972 1.800 1.205 0.650 0.900 0.200 CB 0.921 11 residues pruned to eliminate duplicates Z: 23 17.379 2.048 0.813 0.362 0.864 0.500 CA 1.341 23 residues pruned to eliminate duplicates Z: 62 45.635 2.046 0.783 0.589 0.967 0.508 CB 1.520 62 residues pruned to eliminate duplicates Z: 47 33.363 1.954 0.880 0.485 0.913 0.565 CB 1.489 47 residues pruned to eliminate duplicates Z: 13 14.477 1.843 0.996 0.366 0.917 0.417 CA 1.432 13 residues pruned to eliminate duplicates Z: 47 29.711 1.956 0.818 0.448 0.891 0.609 CA 1.458 47 residues pruned to eliminate duplicates Z: 6 4.806 1.961 0.342 0.321 1.000 0.200 CA 0.995 6 residues pruned to eliminate duplicates Z: 41 29.742 1.964 0.904 0.505 0.925 0.550 CA 1.353 41 residues pruned to eliminate duplicates Z: 30 25.579 2.036 0.805 0.411 0.966 0.690 CA 1.470 29 residues pruned to eliminate duplicates Z: 6 4.719 1.630 0.932 0.287 0.800 0.600 N 1.064 6 residues pruned to eliminate duplicates Z: 30 22.373 1.989 0.829 0.426 0.862 0.621 CA 1.430 30 residues pruned to eliminate duplicates Z: 29 26.719 2.034 1.038 0.425 0.929 0.607 CA 1.417 30 residues pruned to eliminate duplicates Z: 6 3.268 1.264 1.134 0.349 0.800 0.200 N 0.798 6 residues pruned to eliminate duplicates Z: 34 27.229 2.013 0.980 0.411 0.909 0.455 CA 1.436 34 residues pruned to eliminate duplicates Z: 37 27.132 2.022 0.885 0.498 0.833 0.528 CB 1.427 37 residues pruned to eliminate duplicates Z: 71 49.178 2.039 0.918 0.603 0.943 0.514 CB 1.446 71 residues pruned to eliminate duplicates Z: 15 22.660 2.002 0.835 0.564 1.000 0.643 CA 1.549 15 residues pruned to eliminate duplicates Z: 11 13.192 1.874 0.428 0.620 1.000 0.900 CA 1.392 11 residues pruned to eliminate duplicates Z: 39 32.304 2.015 0.827 0.505 0.974 0.368 CB 1.455 39 residues pruned to eliminate duplicates Z: 15 17.746 1.991 0.665 0.507 0.857 0.429 CA 1.657 15 residues pruned to eliminate duplicates Z: 16 17.380 1.887 0.744 0.519 0.867 0.467 CB 1.544 16 residues pruned to eliminate duplicates Z: 14 15.937 1.944 0.642 0.488 0.923 0.538 CA 1.519 14 residues pruned to eliminate duplicates Z: 14 15.584 1.981 0.551 0.504 0.923 0.538 CA 1.517 14 residues pruned to eliminate duplicates Z: 48 31.168 1.914 0.898 0.469 0.957 0.511 CB 1.350 48 residues pruned to eliminate duplicates Z: 16 20.496 1.896 0.793 0.537 1.000 0.467 CA 1.501 16 residues pruned to eliminate duplicates Z: 14 20.069 1.981 0.888 0.523 0.923 0.538 CA 1.575 14 residues pruned to eliminate duplicates Z: 35 19.393 1.789 0.797 0.441 0.794 0.441 CB 1.384 35 residues pruned to eliminate duplicates Z: 9 3.447 1.859 -0.050 0.316 0.750 0.500 CB 1.127 9 residues pruned to eliminate duplicates Z: 10 4.540 1.788 0.102 0.253 0.889 0.444 CB 1.147 10 residues pruned to eliminate duplicates Z: 10 4.233 1.803 0.077 0.235 0.778 0.444 CB 1.271 10 residues pruned to eliminate duplicates Z: 12 5.270 1.713 0.139 0.320 0.727 0.545 CB 1.366 12 residues pruned to eliminate duplicates Z: 12 5.381 1.703 0.158 0.252 0.909 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 17 7.325 1.757 0.240 0.321 0.875 0.625 CB 1.171 17 residues pruned to eliminate duplicates Z: 7 2.920 1.771 0.264 0.198 0.833 0.667 CB 0.915 7 residues pruned to eliminate duplicates Z: 24 8.166 1.807 0.052 0.324 0.913 0.609 CB 1.190 24 residues pruned to eliminate duplicates Z: 17 13.568 1.867 0.408 0.451 1.000 0.562 CA 1.357 17 residues pruned to eliminate duplicates Z: 20 8.845 1.796 0.176 0.374 0.895 0.579 CB 1.230 20 residues pruned to eliminate duplicates Z: 12 10.554 1.820 0.333 0.521 1.000 0.545 CA 1.285 12 residues pruned to eliminate duplicates Z: 23 11.262 1.787 0.375 0.361 0.955 0.636 CB 1.189 23 residues pruned to eliminate duplicates Z: 23 10.478 1.770 0.293 0.340 0.955 0.455 CB 1.217 23 residues pruned to eliminate duplicates Z: 7 2.769 1.319 0.392 0.380 0.667 0.167 O 1.050 Z: 15 8.306 1.720 0.563 0.424 0.714 0.429 CA 1.251 22 residues pruned to eliminate duplicates Z: 18 13.457 1.873 0.428 0.468 0.882 0.529 CA 1.428 18 residues pruned to eliminate duplicates Z: 44 18.042 1.955 0.462 0.367 0.884 0.535 CB 1.256 44 residues pruned to eliminate duplicates Z: 22 11.641 1.796 0.471 0.284 0.952 0.476 CB 1.287 22 residues pruned to eliminate duplicates Z: 43 16.910 1.954 0.563 0.305 0.857 0.500 CB 1.239 43 residues pruned to eliminate duplicates Z: 18 11.874 1.798 0.451 0.328 0.941 0.529 CB 1.416 18 residues pruned to eliminate duplicates Z: 17 10.812 1.905 0.378 0.361 0.875 0.438 CB 1.368 17 residues pruned to eliminate duplicates Z: 13 15.314 2.053 0.489 0.537 0.917 0.583 CB 1.521 13 residues pruned to eliminate duplicates Z: 19 11.646 1.784 0.680 0.384 0.833 0.444 CB 1.243 20 residues pruned to eliminate duplicates Z: 6 4.332 1.537 0.389 0.420 0.800 0.600 C 1.233 6 residues pruned to eliminate duplicates Z: 24 11.968 1.801 0.469 0.297 0.870 0.478 CB 1.361 20 residues pruned to eliminate duplicates Z: 6 2.562 1.377 0.719 0.312 0.600 0.600 N 0.993 6 residues pruned to eliminate duplicates Z: 15 6.074 1.646 0.129 0.377 0.929 0.429 CB 1.073 15 residues pruned to eliminate duplicates Z: 15 4.641 1.653 0.196 0.318 0.714 0.500 CB 1.074 9 residues pruned to eliminate duplicates Z: 13 7.316 1.765 0.184 0.354 0.917 0.500 CB 1.291 15 residues pruned to eliminate duplicates Z: 7 6.866 1.698 0.565 0.518 1.000 0.667 CB 1.037 7 residues pruned to eliminate duplicates Z: 15 10.848 1.957 0.374 0.479 0.929 0.714 CA 1.187 15 residues pruned to eliminate duplicates Z: 16 9.624 1.987 0.193 0.454 0.933 0.733 CB 1.177 16 residues pruned to eliminate duplicates Z: 17 13.012 1.963 0.318 0.466 1.000 0.688 CB 1.301 17 residues pruned to eliminate duplicates Z: 18 9.727 1.902 0.280 0.408 0.882 0.765 CB 1.210 18 residues pruned to eliminate duplicates Z: 19 10.572 1.840 0.308 0.386 0.944 0.722 CB 1.237 19 residues pruned to eliminate duplicates Z: 16 11.570 1.964 0.301 0.456 0.933 0.733 CA 1.311 16 residues pruned to eliminate duplicates Z: 27 13.883 1.989 0.305 0.434 0.923 0.654 CB 1.216 27 residues pruned to eliminate duplicates Z: 6 6.106 1.741 0.618 0.345 1.000 0.600 CA 1.147 6 residues pruned to eliminate duplicates Z: 9 20.580 2.067 0.963 0.713 1.000 0.875 CB 1.478 9 residues pruned to eliminate duplicates Z: 6 4.934 1.448 0.556 0.472 1.000 0.800 C 1.007 6 residues pruned to eliminate duplicates Z: 27 16.667 1.953 0.450 0.493 1.000 0.769 CB 1.162 37 residues pruned to eliminate duplicates Z: 10 8.332 1.766 0.416 0.497 1.000 0.556 CA 1.114 5 residues pruned to eliminate duplicates Z: 7 4.913 1.738 0.433 0.727 1.000 0.500 CA 0.656 7 residues pruned to eliminate duplicates Z: 12 7.286 1.720 0.676 0.417 0.909 0.636 CB 0.914 9 residues pruned to eliminate duplicates Z: 11 8.047 1.739 0.584 0.381 1.000 0.500 CB 1.049 13 residues pruned to eliminate duplicates Z: 7 7.125 1.786 0.732 0.540 1.000 0.500 CB 0.904 7 residues pruned to eliminate duplicates Z: 15 13.080 1.864 0.455 0.464 1.000 0.714 CB 1.338 16 residues pruned to eliminate duplicates 6 1.176 1.207 0.267 0.100 0.800 0.400 CB 0.717 ? Z: 6 4.055 1.412 0.505 0.387 1.000 0.600 N 0.962 6 residues pruned to eliminate duplicates Z: 17 11.299 1.805 0.306 0.422 0.938 0.438 CB 1.386 17 residues pruned to eliminate duplicates Z: 7 2.936 1.905 -0.077 0.466 0.667 0.333 CB 1.059 7 residues pruned to eliminate duplicates Z: 34 17.150 1.873 0.686 0.384 0.879 0.606 CB 1.217 34 residues pruned to eliminate duplicates Z: 6 5.691 1.916 0.381 0.501 1.000 0.400 CB 0.961 6 residues pruned to eliminate duplicates Z: 25 15.349 1.886 0.601 0.396 0.917 0.625 CB 1.263 24 residues pruned to eliminate duplicates Z: 6 8.032 1.727 0.491 0.789 1.000 0.400 CB 1.082 6 residues pruned to eliminate duplicates Z: 32 15.689 1.863 0.665 0.372 0.871 0.484 CB 1.196 32 residues pruned to eliminate duplicates Z: 25 12.130 1.935 0.668 0.312 0.833 0.542 CB 1.134 25 residues pruned to eliminate duplicates Z: 24 15.066 1.982 0.614 0.381 0.870 0.609 CB 1.282 24 residues pruned to eliminate duplicates Z: 29 18.260 1.970 0.682 0.412 0.857 0.679 CB 1.332 29 residues pruned to eliminate duplicates Z: 37 15.744 1.785 0.622 0.350 0.861 0.611 CB 1.239 37 residues pruned to eliminate duplicates Z: 24 14.876 1.887 0.527 0.428 0.913 0.609 CB 1.271 24 residues pruned to eliminate duplicates Z: 26 15.818 1.945 0.635 0.391 0.880 0.600 CB 1.269 26 residues pruned to eliminate duplicates Z: 32 16.509 1.947 0.636 0.379 0.806 0.677 CB 1.314 32 residues pruned to eliminate duplicates Z: 23 17.083 2.015 0.714 0.401 0.864 0.591 CB 1.356 23 residues pruned to eliminate duplicates Z: 25 14.923 1.963 0.658 0.385 0.875 0.667 CB 1.209 25 residues pruned to eliminate duplicates Z: 27 11.541 1.871 0.632 0.330 0.769 0.577 CB 1.160 27 residues pruned to eliminate duplicates Z: 24 13.212 1.940 0.575 0.378 0.826 0.478 CB 1.243 24 residues pruned to eliminate duplicates Z: 31 16.110 1.937 0.639 0.388 0.833 0.533 CB 1.251 31 residues pruned to eliminate duplicates Z: 31 15.919 1.935 0.717 0.360 0.867 0.567 CB 1.174 32 residues pruned to eliminate duplicates Z: 6 5.784 1.659 0.569 0.682 0.800 0.600 CA 1.051 Z: 6 4.101 1.366 0.201 0.681 1.000 0.800 CA 0.946 6 residues pruned to eliminate duplicates Z: 14 8.981 1.724 0.599 0.503 0.769 0.385 CA 1.172 16 residues pruned to eliminate duplicates Z: 7 4.747 1.730 0.177 0.542 0.833 0.667 CA 1.095 7 residues pruned to eliminate duplicates Z: 9 8.173 1.980 0.318 0.301 0.875 0.500 CA 1.580 9 residues pruned to eliminate duplicates Z: 8 4.830 1.866 0.498 0.193 0.714 0.429 CB 1.319 8 residues pruned to eliminate duplicates Z: 22 10.519 1.795 0.635 0.325 0.762 0.619 CB 1.244 Z: 6 4.977 1.819 0.241 0.243 1.000 0.800 CA 1.327 6 residues pruned to eliminate duplicates Z: 16 12.195 1.769 0.579 0.419 0.933 0.600 CA 1.314 15 residues pruned to eliminate duplicates Z: 6 7.637 1.726 0.847 0.356 1.000 0.400 CA 1.251 6 residues pruned to eliminate duplicates Z: 14 12.410 1.752 1.007 0.407 0.769 0.692 CA 1.403 14 residues pruned to eliminate duplicates Z: 17 9.559 1.676 0.637 0.325 0.875 0.500 CB 1.207 17 residues pruned to eliminate duplicates Z: 10 8.031 1.818 0.648 0.345 0.778 0.667 CB 1.360 10 residues pruned to eliminate duplicates Z: 19 11.554 1.836 0.505 0.364 0.778 0.444 CA 1.466 32 residues pruned to eliminate duplicates Z: 7 3.518 1.383 1.055 0.239 0.833 0.333 CB 0.820 7 residues pruned to eliminate duplicates Z: 12 6.691 1.567 0.568 0.355 0.818 0.273 CB 1.174 12 residues pruned to eliminate duplicates Z: 9 5.243 1.637 0.633 0.263 0.750 0.375 N 1.213 9 residues pruned to eliminate duplicates Z: 12 9.234 1.810 0.551 0.399 0.909 0.364 CA 1.213 12 residues pruned to eliminate duplicates Z: 94 35.464 1.911 0.558 0.515 0.892 0.613 CB 1.363 94 residues pruned to eliminate duplicates Z: 40 24.419 1.975 0.441 0.595 0.949 0.692 CA 1.323 40 residues pruned to eliminate duplicates Z: 42 28.965 1.995 0.508 0.616 0.951 0.732 CA 1.417 42 residues pruned to eliminate duplicates Z: 36 27.764 2.017 0.523 0.650 0.971 0.857 CA 1.368 36 residues pruned to eliminate duplicates Z: 33 23.404 1.955 0.501 0.571 0.969 0.688 CB 1.359 33 residues pruned to eliminate duplicates Z: 14 15.724 2.112 0.328 0.574 1.000 0.846 CA 1.447 14 residues pruned to eliminate duplicates Z: 30 31.039 2.071 0.681 0.727 0.966 0.655 CA 1.397 30 residues pruned to eliminate duplicates Z: 35 27.570 2.005 0.457 0.644 0.971 0.853 CA 1.458 35 residues pruned to eliminate duplicates Z: 26 27.798 2.081 0.556 0.781 1.000 0.760 CA 1.340 26 residues pruned to eliminate duplicates Z: 35 31.218 2.058 0.614 0.653 0.971 0.706 CA 1.440 35 residues pruned to eliminate duplicates Z: 35 28.250 2.021 0.529 0.651 0.971 0.824 CA 1.403 35 residues pruned to eliminate duplicates Z: 17 20.368 1.964 0.686 0.555 1.000 0.688 CA 1.457 17 residues pruned to eliminate duplicates Z: 38 26.874 2.017 0.517 0.601 0.946 0.703 CA 1.386 38 residues pruned to eliminate duplicates Z: 35 28.950 1.990 0.678 0.609 0.941 0.676 CA 1.425 35 residues pruned to eliminate duplicates Z: 31 29.558 2.057 0.638 0.699 1.000 0.700 CA 1.336 31 residues pruned to eliminate duplicates Z: 34 31.184 2.062 0.568 0.676 1.000 0.758 CA 1.427 34 residues pruned to eliminate duplicates Z: 31 32.038 2.094 0.589 0.713 1.000 0.633 CA 1.449 31 residues pruned to eliminate duplicates Z: 34 29.358 2.032 0.486 0.753 1.000 0.758 CA 1.351 34 residues pruned to eliminate duplicates Z: 34 30.084 2.060 0.633 0.644 0.970 0.758 CA 1.404 34 residues pruned to eliminate duplicates Z: 35 31.122 2.047 0.677 0.662 0.971 0.676 CA 1.379 35 residues pruned to eliminate duplicates Z: 33 33.153 2.057 0.686 0.697 0.969 0.781 CA 1.457 33 residues pruned to eliminate duplicates Z: 34 32.530 2.047 0.733 0.670 1.000 0.788 CA 1.364 34 residues pruned to eliminate duplicates Z: 24 24.652 2.132 0.434 0.763 1.000 0.783 CA 1.330 24 residues pruned to eliminate duplicates Z: 41 36.441 2.035 0.793 0.725 0.975 0.775 CA 1.323 41 residues pruned to eliminate duplicates Z: 52 31.758 2.010 0.600 0.530 0.902 0.569 CA 1.488 55 residues pruned to eliminate duplicates Z: 18 25.855 2.101 0.690 0.945 1.000 0.882 CA 1.222 18 residues pruned to eliminate duplicates Z: 33 30.584 2.046 0.761 0.701 0.969 0.750 CA 1.289 33 residues pruned to eliminate duplicates Z: 38 30.581 2.024 0.660 0.619 0.973 0.730 CA 1.375 38 residues pruned to eliminate duplicates Z: 36 29.883 2.043 0.587 0.639 1.000 0.714 CA 1.368 36 residues pruned to eliminate duplicates Z: 34 30.079 2.071 0.606 0.658 0.970 0.636 CA 1.402 34 residues pruned to eliminate duplicates Z: 42 38.668 2.043 0.698 0.749 0.976 0.805 CA 1.429 42 residues pruned to eliminate duplicates Z: 34 33.076 2.047 0.735 0.668 1.000 0.636 CA 1.388 34 residues pruned to eliminate duplicates Z: 43 31.996 2.017 0.618 0.692 0.952 0.667 CA 1.333 43 residues pruned to eliminate duplicates Z: 42 37.223 2.029 0.710 0.715 0.976 0.707 CA 1.413 42 residues pruned to eliminate duplicates Z: 33 35.041 2.069 0.797 0.683 0.969 0.531 CA 1.454 33 residues pruned to eliminate duplicates Z: 33 36.385 2.051 0.765 0.784 0.969 0.688 CA 1.429 33 residues pruned to eliminate duplicates Z: 43 33.889 1.993 0.680 0.710 0.929 0.571 CA 1.389 43 residues pruned to eliminate duplicates Z: 16 12.945 1.916 0.373 0.581 0.933 0.133 CB 1.258 16 residues pruned to eliminate duplicates Z: 47 26.168 1.938 0.532 0.554 0.891 0.391 CB 1.382 47 residues pruned to eliminate duplicates Z: 7 13.328 2.009 0.877 0.786 0.833 0.000 CA 1.347 7 residues pruned to eliminate duplicates Z: 6 8.384 1.973 0.798 0.784 0.600 0.200 CB 1.372 6 residues pruned to eliminate duplicates Z: 13 8.533 1.939 0.621 0.553 0.500 0.250 CB 1.489 13 residues pruned to eliminate duplicates Z: 15 13.351 1.876 0.830 0.590 0.643 0.214 CA 1.484 15 residues pruned to eliminate duplicates Z: 17 15.729 1.958 0.846 0.510 0.750 0.312 CB 1.436 17 residues pruned to eliminate duplicates Z: 37 20.389 2.016 0.516 0.463 0.750 0.389 CB 1.539 37 residues pruned to eliminate duplicates Z: 38 23.139 2.013 0.583 0.490 0.811 0.378 CB 1.488 38 residues pruned to eliminate duplicates Z: 31 21.106 2.039 0.634 0.405 0.833 0.600 CA 1.533 30 residues pruned to eliminate duplicates Z: 6 2.922 1.840 -0.092 0.307 1.000 0.400 CA 0.969 6 residues pruned to eliminate duplicates Z: 24 17.428 2.084 0.583 0.311 0.913 0.435 CA 1.487 24 residues pruned to eliminate duplicates Z: 38 23.266 1.929 0.717 0.433 0.838 0.378 CB 1.477 38 residues pruned to eliminate duplicates Z: 22 18.393 1.976 0.566 0.466 0.905 0.476 CA 1.484 22 residues pruned to eliminate duplicates Z: 30 26.064 2.062 0.803 0.439 0.897 0.586 CA 1.546 30 residues pruned to eliminate duplicates Z: 10 14.369 1.735 0.842 0.804 1.000 0.444 CA 1.149 10 residues pruned to eliminate duplicates Z: 73 37.660 2.013 0.658 0.573 0.847 0.556 CA 1.462 73 residues pruned to eliminate duplicates Z: 24 16.487 2.043 0.434 0.392 0.870 0.391 CA 1.512 24 residues pruned to eliminate duplicates Z: 23 21.800 2.116 0.723 0.456 0.818 0.591 CA 1.630 23 residues pruned to eliminate duplicates Z: 27 12.941 1.997 0.547 0.348 0.731 0.538 CB 1.326 27 residues pruned to eliminate duplicates Z: 34 13.491 1.975 0.457 0.298 0.788 0.515 CB 1.299 34 residues pruned to eliminate duplicates Z: 21 14.676 1.989 0.711 0.336 0.900 0.400 CA 1.281 21 residues pruned to eliminate duplicates Z: 30 12.654 1.930 0.556 0.288 0.862 0.586 CB 1.152 30 residues pruned to eliminate duplicates Z: 34 15.996 2.026 0.505 0.343 0.879 0.606 CB 1.232 34 residues pruned to eliminate duplicates Z: 31 14.904 2.009 0.501 0.292 0.833 0.500 CB 1.367 31 residues pruned to eliminate duplicates Z: 30 20.743 2.065 0.652 0.419 0.862 0.586 CB 1.425 32 residues pruned to eliminate duplicates Z: 7 4.482 1.734 0.790 0.349 0.667 0.333 CA 1.042 7 residues pruned to eliminate duplicates Z: 32 15.498 2.056 0.572 0.346 0.806 0.613 CB 1.263 32 residues pruned to eliminate duplicates Z: 35 15.580 1.986 0.503 0.324 0.824 0.529 CB 1.319 35 residues pruned to eliminate duplicates Z: 34 16.465 2.016 0.591 0.311 0.848 0.485 CB 1.299 34 residues pruned to eliminate duplicates Z: 29 18.174 2.009 0.697 0.344 0.893 0.464 CB 1.338 15 residues pruned to eliminate duplicates Z: 6 5.109 1.767 0.395 0.384 0.800 0.600 CB 1.311 6 residues pruned to eliminate duplicates Z: 35 18.029 2.035 0.570 0.319 0.853 0.441 CB 1.385 35 residues pruned to eliminate duplicates Z: 23 16.418 2.043 0.476 0.404 0.864 0.545 CB 1.486 23 residues pruned to eliminate duplicates Z: 39 14.902 1.923 0.502 0.334 0.842 0.500 CB 1.191 39 residues pruned to eliminate duplicates Z: 32 15.785 1.954 0.529 0.333 0.839 0.548 CB 1.359 32 residues pruned to eliminate duplicates Z: 33 17.943 2.057 0.556 0.330 0.875 0.594 CB 1.365 30 residues pruned to eliminate duplicates Z: 7 9.706 1.791 1.152 0.442 1.000 0.333 CA 1.091 7 residues pruned to eliminate duplicates Z: 34 17.149 2.007 0.538 0.326 0.909 0.576 CB 1.289 34 residues pruned to eliminate duplicates Z: 13 10.307 1.989 0.431 0.401 0.833 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 22 13.477 1.904 0.550 0.408 0.905 0.476 CB 1.213 22 residues pruned to eliminate duplicates Z: 30 14.085 2.037 0.501 0.323 0.862 0.517 CB 1.206 30 residues pruned to eliminate duplicates Z: 33 16.517 2.007 0.484 0.342 0.906 0.438 CB 1.284 33 residues pruned to eliminate duplicates Z: 32 15.145 1.959 0.505 0.349 0.839 0.452 CA 1.296 32 residues pruned to eliminate duplicates Z: 15 18.630 1.873 0.818 0.534 1.000 0.643 CA 1.414 15 residues pruned to eliminate duplicates Z: 6 7.405 1.581 0.698 0.424 1.000 0.800 CA 1.336 6 residues pruned to eliminate duplicates Z: 13 16.831 1.925 0.847 0.569 0.917 0.917 CB 1.395 13 residues pruned to eliminate duplicates Z: 21 15.116 1.912 0.633 0.398 0.850 0.650 CB 1.419 21 residues pruned to eliminate duplicates Z: 18 13.214 1.830 0.746 0.380 0.882 0.529 CB 1.292 18 residues pruned to eliminate duplicates Z: 14 12.450 1.825 0.863 0.496 0.769 0.538 CB 1.325 14 residues pruned to eliminate duplicates Z: 21 15.302 1.805 0.757 0.450 0.850 0.700 CA 1.335 20 residues pruned to eliminate duplicates Z: 6 2.183 1.176 0.448 0.426 0.600 0.400 CB 1.031 6 residues pruned to eliminate duplicates Z: 17 7.333 1.618 0.465 0.379 0.750 0.438 CA 1.173 17 residues pruned to eliminate duplicates Z: 20 16.166 1.973 0.621 0.420 0.895 0.579 CB 1.409 20 residues pruned to eliminate duplicates Z: 23 11.720 1.890 0.592 0.348 0.818 0.500 CB 1.196 23 residues pruned to eliminate duplicates Z: 21 16.101 1.992 0.860 0.466 0.750 0.600 CB 1.340 21 residues pruned to eliminate duplicates Z: 21 16.687 1.959 0.682 0.445 0.850 0.350 CB 1.410 21 residues pruned to eliminate duplicates Z: 22 16.557 1.992 0.603 0.398 0.905 0.524 CB 1.392 22 residues pruned to eliminate duplicates Z: 31 16.219 2.024 0.443 0.428 0.867 0.533 CB 1.260 31 residues pruned to eliminate duplicates Z: 29 17.432 2.020 0.426 0.461 0.893 0.464 CB 1.333 29 residues pruned to eliminate duplicates Z: 12 18.546 2.103 0.716 0.576 1.000 0.727 CA 1.440 12 residues pruned to eliminate duplicates Z: 27 18.404 1.964 0.484 0.497 0.962 0.654 CA 1.292 27 residues pruned to eliminate duplicates Z: 11 22.798 2.151 0.895 0.625 1.000 0.700 CA 1.572 11 residues pruned to eliminate duplicates Z: 23 16.553 1.959 0.692 0.396 0.864 0.500 CB 1.376 23 residues pruned to eliminate duplicates Z: 18 18.455 2.071 0.777 0.446 0.882 0.471 CB 1.457 18 residues pruned to eliminate duplicates Z: 11 22.456 2.192 0.817 0.649 1.000 0.600 CA 1.552 11 residues pruned to eliminate duplicates Z: 16 17.850 2.039 0.848 0.470 0.933 0.533 CB 1.350 16 residues pruned to eliminate duplicates Z: 24 21.390 2.051 0.591 0.562 0.913 0.609 CB 1.411 24 residues pruned to eliminate duplicates Z: 26 23.171 1.981 0.671 0.523 1.000 0.600 CB 1.369 27 residues pruned to eliminate duplicates Z: 6 3.000 1.282 0.343 0.463 1.000 0.400 CA 0.809 6 residues pruned to eliminate duplicates Z: 35 19.414 1.958 0.667 0.439 0.912 0.559 CB 1.192 35 residues pruned to eliminate duplicates Z: 27 15.102 1.918 0.676 0.421 0.846 0.538 CB 1.183 26 residues pruned to eliminate duplicates Z: 6 3.211 1.556 0.942 0.251 1.000 0.800 CA 0.633 6 residues pruned to eliminate duplicates Z: 33 21.385 2.014 0.789 0.420 0.875 0.625 CB 1.303 33 residues pruned to eliminate duplicates Z: 31 20.549 1.996 0.583 0.523 0.867 0.600 CB 1.339 31 residues pruned to eliminate duplicates Z: 27 16.655 1.854 0.857 0.369 0.885 0.500 CB 1.234 27 residues pruned to eliminate duplicates Z: 37 20.597 1.937 0.759 0.446 0.889 0.500 CB 1.199 37 residues pruned to eliminate duplicates Z: 11 12.651 2.067 0.529 0.535 1.000 0.600 CB 1.223 12 residues pruned to eliminate duplicates Z: 6 3.035 1.491 -0.007 0.583 1.000 0.600 CB 0.846 6 residues pruned to eliminate duplicates Z: 25 15.854 1.901 0.705 0.433 0.917 0.500 CB 1.168 23 residues pruned to eliminate duplicates Z: 7 7.487 1.681 0.832 0.406 0.833 0.500 CB 1.314 7 residues pruned to eliminate duplicates Z: 16 8.353 1.884 0.470 0.337 0.933 0.533 CB 0.997 16 residues pruned to eliminate duplicates Z: 12 12.189 2.059 0.608 0.376 1.000 0.636 CB 1.268 13 residues pruned to eliminate duplicates Z: 7 7.111 1.679 0.706 0.490 1.000 0.667 CB 1.024 7 residues pruned to eliminate duplicates Z: 13 10.915 2.016 0.757 0.382 0.917 0.583 CB 1.101 13 residues pruned to eliminate duplicates Z: 14 9.200 1.970 0.466 0.366 0.846 0.615 CB 1.206 14 residues pruned to eliminate duplicates Z: 23 11.562 1.920 0.644 0.164 0.773 0.273 CB 1.523 23 residues pruned to eliminate duplicates Z: 15 8.966 1.794 0.537 0.370 0.857 0.643 CB 1.165 15 residues pruned to eliminate duplicates Z: 7 9.547 1.890 0.569 0.627 0.833 0.667 CB 1.399 7 residues pruned to eliminate duplicates Z: 10 5.236 2.018 0.430 0.275 0.667 0.556 CB 1.171 10 residues pruned to eliminate duplicates Z: 9 6.418 2.031 0.711 0.361 0.750 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 11 5.561 1.833 0.559 0.327 0.700 0.500 CB 1.063 11 residues pruned to eliminate duplicates Z: 10 6.319 1.982 0.552 0.368 0.778 0.667 CB 1.015 10 residues pruned to eliminate duplicates Z: 22 8.555 1.727 0.526 0.261 0.857 0.476 CB 1.086 22 residues pruned to eliminate duplicates Z: 12 5.813 1.871 0.461 0.347 0.727 0.364 CB 1.041 20 residues pruned to eliminate duplicates Z: 6 3.020 1.353 0.985 0.296 0.800 0.200 CA 0.789 6 residues pruned to eliminate duplicates Z: 14 12.021 1.941 0.511 0.479 0.846 0.538 CA 1.373 14 residues pruned to eliminate duplicates Z: 6 4.509 1.405 0.762 0.436 1.000 0.800 CB 0.870 6 residues pruned to eliminate duplicates Z: 15 11.570 1.771 0.632 0.463 0.929 0.500 CA 1.196 15 residues pruned to eliminate duplicates Z: 14 11.562 1.807 0.628 0.478 0.846 0.615 CA 1.318 14 residues pruned to eliminate duplicates Z: 17 15.318 1.993 0.567 0.506 0.875 0.688 CB 1.393 31 residues pruned to eliminate duplicates Z: 6 2.118 1.579 0.860 0.299 0.800 0.600 CB 0.505 6 residues pruned to eliminate duplicates Z: 17 15.612 1.982 0.658 0.444 0.938 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 18 11.036 1.962 0.538 0.415 0.824 0.529 CB 1.177 18 residues pruned to eliminate duplicates Z: 7 5.940 1.963 0.914 0.440 0.833 0.333 CB 0.824 7 residues pruned to eliminate duplicates Z: 19 9.628 1.795 0.573 0.278 0.944 0.556 CB 1.095 19 residues pruned to eliminate duplicates Z: 7 4.785 1.772 0.370 0.248 1.000 0.000 CA 1.076 7 residues pruned to eliminate duplicates Z: 48 18.265 1.942 0.449 0.378 0.851 0.489 CB 1.267 48 residues pruned to eliminate duplicates Z: 8 3.041 1.693 0.048 0.160 0.857 0.286 CA 1.146 8 residues pruned to eliminate duplicates Z: 10 9.133 1.853 0.560 0.241 0.889 0.444 CA 1.600 10 residues pruned to eliminate duplicates Z: 38 19.671 1.959 0.506 0.408 0.946 0.568 CB 1.277 38 residues pruned to eliminate duplicates Z: 22 9.872 1.839 0.310 0.337 0.952 0.524 CA 1.121 22 residues pruned to eliminate duplicates Z: 23 11.698 1.827 0.370 0.306 0.955 0.545 CA 1.296 23 residues pruned to eliminate duplicates Z: 24 10.766 1.821 0.373 0.323 0.870 0.435 CA 1.254 24 residues pruned to eliminate duplicates Z: 17 6.251 1.771 0.153 0.296 0.812 0.562 CB 1.184 17 residues pruned to eliminate duplicates Z: 31 12.576 1.998 0.491 0.290 0.800 0.433 CB 1.219 31 residues pruned to eliminate duplicates Z: 20 9.923 1.761 0.596 0.286 0.842 0.421 CB 1.224 20 residues pruned to eliminate duplicates Z: 16 10.147 1.829 0.653 0.328 0.867 0.467 CB 1.208 16 residues pruned to eliminate duplicates Z: 12 8.268 1.902 0.747 0.163 0.909 0.455 CB 1.245 12 residues pruned to eliminate duplicates Z: 16 10.612 1.869 0.774 0.329 0.800 0.333 CA 1.247 16 residues pruned to eliminate duplicates Z: 16 10.509 1.859 0.587 0.289 0.867 0.400 CB 1.344 16 residues pruned to eliminate duplicates Z: 36 16.383 1.977 0.545 0.373 0.829 0.514 CB 1.253 36 residues pruned to eliminate duplicates Z: 17 9.024 2.074 0.391 0.370 0.688 0.438 CB 1.308 17 residues pruned to eliminate duplicates Z: 26 14.284 2.043 0.507 0.350 0.920 0.520 CB 1.187 26 residues pruned to eliminate duplicates Z: 28 14.875 2.057 0.380 0.359 0.889 0.481 CB 1.321 28 residues pruned to eliminate duplicates Z: 40 14.315 1.981 0.460 0.339 0.821 0.513 CB 1.150 40 residues pruned to eliminate duplicates Z: 31 15.214 2.023 0.456 0.344 0.833 0.400 CB 1.340 31 residues pruned to eliminate duplicates Z: 16 9.007 1.981 0.203 0.390 0.800 0.533 CB 1.370 16 residues pruned to eliminate duplicates Z: 63 20.448 1.973 0.521 0.306 0.855 0.452 CB 1.257 63 residues pruned to eliminate duplicates Z: 27 11.038 1.966 0.323 0.325 0.731 0.385 CB 1.381 27 residues pruned to eliminate duplicates Z: 30 13.771 2.014 0.466 0.346 0.862 0.414 CB 1.188 30 residues pruned to eliminate duplicates Z: 29 14.162 2.056 0.492 0.371 0.857 0.393 CB 1.169 29 residues pruned to eliminate duplicates Z: 28 14.040 2.055 0.402 0.365 0.852 0.407 CB 1.273 28 residues pruned to eliminate duplicates Z: 30 14.667 2.018 0.399 0.340 0.931 0.483 CB 1.234 30 residues pruned to eliminate duplicates Z: 26 11.539 2.000 0.473 0.302 0.800 0.440 CB 1.220 26 residues pruned to eliminate duplicates Z: 31 19.019 2.042 0.588 0.336 0.900 0.400 CB 1.423 31 residues pruned to eliminate duplicates Z: 49 16.745 2.008 0.415 0.336 0.792 0.438 CB 1.286 49 residues pruned to eliminate duplicates Z: 22 13.967 2.075 0.570 0.360 0.905 0.381 CB 1.202 22 residues pruned to eliminate duplicates Z: 47 19.236 1.961 0.575 0.335 0.848 0.413 CB 1.298 47 residues pruned to eliminate duplicates Z: 29 12.783 1.976 0.379 0.317 0.821 0.429 CB 1.321 29 residues pruned to eliminate duplicates Z: 35 12.593 1.966 0.445 0.259 0.735 0.382 CB 1.362 35 residues pruned to eliminate duplicates Z: 35 14.942 1.999 0.559 0.368 0.765 0.529 CB 1.240 35 residues pruned to eliminate duplicates Z: 18 9.647 1.970 0.598 0.234 0.706 0.412 CA 1.435 18 residues pruned to eliminate duplicates Z: 23 10.767 2.045 0.394 0.247 0.727 0.364 CB 1.482 23 residues pruned to eliminate duplicates Z: 36 14.111 2.022 0.461 0.221 0.771 0.371 CB 1.451 36 residues pruned to eliminate duplicates Z: 53 21.904 2.031 0.562 0.328 0.827 0.500 CB 1.398 53 residues pruned to eliminate duplicates Z: 22 12.155 1.927 0.505 0.283 0.810 0.524 CB 1.444 22 residues pruned to eliminate duplicates Z: 44 18.484 2.038 0.387 0.318 0.837 0.488 CB 1.456 44 residues pruned to eliminate duplicates Z: 23 15.145 2.012 0.769 0.286 0.818 0.455 CB 1.410 23 residues pruned to eliminate duplicates Z: 27 13.192 1.995 0.524 0.261 0.731 0.308 CB 1.530 27 residues pruned to eliminate duplicates Z: 27 13.997 1.916 0.544 0.260 0.846 0.500 CB 1.443 27 residues pruned to eliminate duplicates Z: 61 18.676 1.952 0.404 0.364 0.783 0.567 CB 1.299 61 residues pruned to eliminate duplicates Z: 18 17.658 2.049 0.738 0.405 0.941 0.647 CB 1.412 18 residues pruned to eliminate duplicates Z: 24 15.641 1.993 0.738 0.281 0.826 0.478 CB 1.459 24 residues pruned to eliminate duplicates Z: 18 17.336 1.933 0.766 0.435 0.882 0.294 CB 1.493 18 residues pruned to eliminate duplicates Z: 30 16.210 2.022 0.777 0.357 0.793 0.379 CB 1.233 30 residues pruned to eliminate duplicates Z: 18 15.412 1.955 0.632 0.407 0.882 0.529 CA 1.465 18 residues pruned to eliminate duplicates Z: 12 14.520 2.055 0.775 0.455 0.818 0.636 CA 1.537 12 residues pruned to eliminate duplicates Z: 25 9.813 1.883 0.494 0.326 0.708 0.458 CB 1.216 25 residues pruned to eliminate duplicates Z: 18 14.681 1.978 0.601 0.373 0.824 0.471 CA 1.564 18 residues pruned to eliminate duplicates Z: 22 14.502 2.004 0.573 0.350 0.857 0.524 CB 1.379 22 residues pruned to eliminate duplicates Z: 14 12.165 2.017 0.549 0.309 0.846 0.615 CA 1.578 14 residues pruned to eliminate duplicates Z: 30 15.339 1.931 0.687 0.322 0.793 0.483 CB 1.341 30 residues pruned to eliminate duplicates Z: 26 14.499 1.996 0.628 0.266 0.800 0.480 CB 1.457 26 residues pruned to eliminate duplicates Z: 76 21.675 1.966 0.407 0.354 0.840 0.467 CB 1.262 76 residues pruned to eliminate duplicates Z: 27 10.175 1.998 0.600 0.279 0.731 0.423 CB 1.098 27 residues pruned to eliminate duplicates Z: 13 8.707 1.809 0.536 0.365 1.000 0.500 CB 1.045 13 residues pruned to eliminate duplicates Z: 12 10.963 1.969 0.580 0.484 0.909 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 24 10.497 1.998 0.459 0.303 0.739 0.478 CB 1.265 24 residues pruned to eliminate duplicates Z: 11 7.822 1.960 0.452 0.404 0.900 0.700 CB 1.067 11 residues pruned to eliminate duplicates Z: 6 3.600 1.669 0.659 0.388 1.000 1.000 CA 0.655 6 residues pruned to eliminate duplicates Z: 16 8.636 1.749 0.411 0.355 0.867 0.600 CB 1.220 16 residues pruned to eliminate duplicates Z: 14 10.929 1.828 0.602 0.453 0.846 0.692 CB 1.283 14 residues pruned to eliminate duplicates Z: 13 9.245 1.964 0.438 0.423 0.833 0.667 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 11.467 2.033 0.649 0.452 0.900 0.700 CB 1.262 11 residues pruned to eliminate duplicates Z: 23 11.948 2.006 0.590 0.305 0.818 0.636 CB 1.212 23 residues pruned to eliminate duplicates Z: 30 13.744 2.032 0.624 0.376 0.759 0.552 CB 1.164 30 residues pruned to eliminate duplicates Z: 31 15.076 2.026 0.580 0.378 0.800 0.533 CB 1.225 31 residues pruned to eliminate duplicates Z: 28 11.578 1.903 0.533 0.307 0.778 0.519 CB 1.217 28 residues pruned to eliminate duplicates Z: 25 10.346 1.886 0.479 0.374 0.792 0.500 CB 1.094 25 residues pruned to eliminate duplicates Z: 23 12.993 2.039 0.579 0.332 0.864 0.545 CB 1.197 23 residues pruned to eliminate duplicates Z: 16 13.333 2.095 0.653 0.376 0.933 0.533 CB 1.216 16 residues pruned to eliminate duplicates Z: 17 11.412 2.050 0.689 0.325 0.875 0.375 CB 1.142 17 residues pruned to eliminate duplicates Z: 28 12.321 1.911 0.755 0.280 0.815 0.444 CB 1.113 28 residues pruned to eliminate duplicates Z: 15 10.137 1.988 0.634 0.188 0.857 0.286 CB 1.413 15 residues pruned to eliminate duplicates Z: 31 14.298 2.003 0.684 0.397 0.767 0.567 CB 1.125 31 residues pruned to eliminate duplicates Z: 30 16.076 2.048 0.657 0.402 0.828 0.586 CB 1.179 30 residues pruned to eliminate duplicates Z: 16 12.036 2.005 0.503 0.428 1.000 0.400 CB 1.112 Z: 6 6.585 2.080 0.239 0.435 1.000 0.600 CB 1.222 6 residues pruned to eliminate duplicates Z: 6 4.516 1.275 0.785 0.361 1.000 0.600 CA 1.031 6 residues pruned to eliminate duplicates Z: 10 8.738 1.828 0.613 0.368 1.000 0.556 CA 1.138 10 residues pruned to eliminate duplicates Z: 11 8.830 1.794 0.748 0.381 1.000 0.600 CA 1.010 11 residues pruned to eliminate duplicates Z: 8 6.202 1.829 0.310 0.436 1.000 0.714 CB 1.045 8 residues pruned to eliminate duplicates Z: 40 40.370 2.146 0.739 0.685 1.000 0.718 CB 1.463 40 residues pruned to eliminate duplicates Z: 50 35.961 2.054 0.739 0.607 0.939 0.776 CB 1.384 51 residues pruned to eliminate duplicates Z: 36 33.078 2.099 0.652 0.619 0.971 0.657 CA 1.483 36 residues pruned to eliminate duplicates Z: 42 37.399 2.119 0.668 0.624 1.000 0.585 CA 1.470 42 residues pruned to eliminate duplicates Z: 32 39.530 2.182 0.781 0.739 0.968 0.742 CA 1.523 32 residues pruned to eliminate duplicates Z: 32 39.396 2.170 0.791 0.746 0.968 0.774 CB 1.509 32 residues pruned to eliminate duplicates Z: 35 37.405 2.183 0.736 0.639 0.971 0.735 CA 1.532 35 residues pruned to eliminate duplicates Z: 34 36.269 2.141 0.767 0.691 1.000 0.727 CB 1.401 34 residues pruned to eliminate duplicates Z: 30 42.195 2.207 0.875 0.747 0.966 0.828 CB 1.572 30 residues pruned to eliminate duplicates Z: 29 41.984 2.241 0.791 0.738 1.000 0.714 CB 1.596 29 residues pruned to eliminate duplicates Z: 45 32.449 2.060 0.660 0.583 0.886 0.591 CB 1.490 45 residues pruned to eliminate duplicates Z: 38 42.266 2.171 0.775 0.683 1.000 0.676 CB 1.524 38 residues pruned to eliminate duplicates Z: 51 37.667 2.033 0.765 0.600 0.980 0.720 CA 1.377 51 residues pruned to eliminate duplicates Z: 39 33.356 2.142 0.535 0.653 0.947 0.605 CA 1.507 39 residues pruned to eliminate duplicates Z: 80 47.228 2.130 0.725 0.583 0.949 0.671 CB 1.406 80 residues pruned to eliminate duplicates Z: 40 39.312 2.135 0.822 0.642 0.949 0.718 CB 1.494 40 residues pruned to eliminate duplicates Z: 37 35.661 2.127 0.692 0.652 0.917 0.556 CB 1.563 37 residues pruned to eliminate duplicates Z: 62 36.259 2.140 0.739 0.523 0.885 0.492 CB 1.377 39 residues pruned to eliminate duplicates Z: 30 40.801 2.197 0.882 0.731 0.931 0.621 CB 1.598 30 residues pruned to eliminate duplicates Z: 40 39.278 2.139 0.781 0.625 0.974 0.615 CA 1.506 40 residues pruned to eliminate duplicates Z: 35 40.330 2.192 0.810 0.660 0.971 0.618 CA 1.548 35 residues pruned to eliminate duplicates Z: 31 36.307 2.183 0.734 0.695 0.967 0.533 CA 1.517 31 residues pruned to eliminate duplicates Z: 38 41.667 2.172 0.952 0.700 0.919 0.676 CB 1.466 38 residues pruned to eliminate duplicates Z: 30 45.521 2.238 0.921 0.782 0.966 0.655 CB 1.588 30 residues pruned to eliminate duplicates Z: 32 38.506 2.180 0.843 0.699 0.935 0.645 CA 1.535 32 residues pruned to eliminate duplicates Z: 31 46.912 2.226 0.998 0.740 1.000 0.667 CB 1.553 31 residues pruned to eliminate duplicates Z: 42 40.328 2.139 0.827 0.596 0.976 0.610 CA 1.507 42 residues pruned to eliminate duplicates Z: 38 42.135 2.195 0.703 0.666 1.000 0.622 CA 1.589 38 residues pruned to eliminate duplicates Z: 36 35.098 2.087 0.820 0.673 0.943 0.657 CB 1.412 36 residues pruned to eliminate duplicates Z: 34 39.998 2.155 0.855 0.674 1.000 0.697 CA 1.484 34 residues pruned to eliminate duplicates Z: 43 28.077 2.081 0.562 0.587 0.905 0.595 CA 1.355 43 residues pruned to eliminate duplicates Z: 52 35.745 2.100 0.634 0.635 0.922 0.608 CA 1.394 52 residues pruned to eliminate duplicates Z: 80 49.381 2.134 0.703 0.566 0.962 0.582 CB 1.490 80 residues pruned to eliminate duplicates Z: 74 49.224 2.174 0.708 0.575 0.959 0.630 CB 1.506 74 residues pruned to eliminate duplicates Z: 37 34.671 2.121 0.563 0.739 0.944 0.667 CB 1.489 37 residues pruned to eliminate duplicates Z: 17 13.119 1.968 0.299 0.626 1.000 0.625 CB 1.140 17 residues pruned to eliminate duplicates Z: 24 21.497 2.117 0.799 0.485 0.870 0.522 CB 1.375 24 residues pruned to eliminate duplicates Z: 51 37.863 2.087 0.724 0.652 0.900 0.700 CA 1.434 51 residues pruned to eliminate duplicates Z: 12 18.557 2.106 0.409 0.828 1.000 0.818 CA 1.420 12 residues pruned to eliminate duplicates Z: 14 12.590 1.946 0.233 0.728 0.923 0.846 CA 1.283 14 residues pruned to eliminate duplicates Z: 43 29.211 2.120 0.599 0.531 0.929 0.548 CB 1.388 43 residues pruned to eliminate duplicates Z: 75 48.409 2.130 0.692 0.593 0.973 0.703 CB 1.468 75 residues pruned to eliminate duplicates Z: 49 34.811 2.080 0.740 0.548 0.938 0.458 CB 1.413 49 residues pruned to eliminate duplicates Z: 20 28.439 2.125 0.893 0.642 1.000 0.737 CB 1.419 20 residues pruned to eliminate duplicates Z: 36 26.701 2.086 0.773 0.454 0.914 0.429 CB 1.399 36 residues pruned to eliminate duplicates Z: 24 22.125 2.133 0.578 0.522 0.957 0.522 CB 1.402 24 residues pruned to eliminate duplicates Z: 24 16.166 1.939 1.013 0.335 0.957 0.522 CB 1.081 24 residues pruned to eliminate duplicates Z: 52 46.441 2.185 0.829 0.660 0.980 0.490 CB 1.431 52 residues pruned to eliminate duplicates Z: 19 12.392 1.970 0.878 0.316 0.778 0.389 CB 1.244 19 residues pruned to eliminate duplicates Z: 40 27.114 2.083 0.589 0.576 0.923 0.667 CB 1.320 40 residues pruned to eliminate duplicates Z: 24 23.933 2.088 0.648 0.594 0.957 0.478 CB 1.387 24 residues pruned to eliminate duplicates Z: 46 29.994 2.104 0.584 0.497 0.933 0.511 CB 1.441 40 residues pruned to eliminate duplicates Z: 46 30.330 2.120 0.668 0.503 0.911 0.556 CB 1.399 46 residues pruned to eliminate duplicates Z: 21 21.270 2.199 1.103 0.359 0.950 0.550 CB 1.259 21 residues pruned to eliminate duplicates Z: 41 33.937 2.167 0.910 0.534 0.900 0.475 CB 1.394 41 residues pruned to eliminate duplicates Z: 22 16.899 2.078 0.956 0.323 0.905 0.571 CB 1.218 22 residues pruned to eliminate duplicates Z: 34 25.034 2.093 0.661 0.518 0.879 0.545 CB 1.401 34 residues pruned to eliminate duplicates Z: 17 11.508 1.994 0.888 0.423 0.812 0.625 CB 1.020 17 residues pruned to eliminate duplicates Z: 11 12.034 2.062 1.029 0.395 0.800 0.600 CB 1.270 11 residues pruned to eliminate duplicates Z: 35 29.360 2.142 0.828 0.529 0.941 0.618 CB 1.329 35 residues pruned to eliminate duplicates Z: 19 15.021 2.131 1.120 0.251 0.889 0.444 CB 1.174 19 residues pruned to eliminate duplicates Z: 21 12.706 2.080 0.677 0.236 0.850 0.450 CB 1.302 21 residues pruned to eliminate duplicates Z: 42 32.367 2.158 0.868 0.523 0.927 0.463 CB 1.322 42 residues pruned to eliminate duplicates Z: 14 14.308 2.074 1.093 0.376 0.846 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 13 21.971 2.105 0.811 0.622 0.917 0.583 CB 1.618 13 residues pruned to eliminate duplicates Z: 42 32.815 2.122 0.947 0.504 0.951 0.488 CB 1.298 42 residues pruned to eliminate duplicates Z: 46 28.372 2.060 0.773 0.479 0.911 0.511 CB 1.299 46 residues pruned to eliminate duplicates Z: 41 30.679 2.147 0.680 0.536 0.950 0.600 CB 1.366 41 residues pruned to eliminate duplicates Z: 32 23.013 2.133 0.824 0.393 0.871 0.516 CB 1.367 32 residues pruned to eliminate duplicates Z: 39 25.615 2.119 0.736 0.455 0.842 0.526 CB 1.405 39 residues pruned to eliminate duplicates Z: 72 45.317 2.110 0.875 0.522 0.901 0.437 CB 1.476 46 residues pruned to eliminate duplicates Z: 45 26.252 2.045 0.867 0.432 0.886 0.409 CB 1.255 45 residues pruned to eliminate duplicates Z: 12 20.962 2.134 0.685 0.665 1.000 0.545 CA 1.508 12 residues pruned to eliminate duplicates 709 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 13 D: 8 E: 14 F: 31 G: 9 H: 49 I: 12 J: 9 K: 7 L: 8 M: 16 N: 33 O: 13 P: 59 Q: 11 R: 29 S: 21 T: 6 U: 47 V: 12 W: 45 X: 123 Y: 33 Z: 16 Z: 61 Z: 8 CC for partial structure against native data = 27.43 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.384, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.444, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.544, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.550, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6398 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1317 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 17.842 2.066 0.740 0.810 1.000 0.857 CB 1.432 B: 14 21.941 2.311 0.269 0.922 1.000 0.846 CB 1.459 C: 21 35.987 2.301 0.600 0.896 1.000 0.950 CB 1.566 D: 21 46.178 2.334 0.958 0.911 1.000 0.850 CB 1.600 21 residues pruned to eliminate duplicates E: 30 14.245 2.027 0.608 0.372 0.724 0.586 CB 1.286 F: 7 11.527 1.844 0.470 0.774 0.833 0.833 CA 1.636 G: 22 37.169 2.253 0.566 0.903 1.000 0.810 CB 1.639 21 residues pruned to eliminate duplicates H: 20 25.093 1.995 0.493 0.940 1.000 0.895 CB 1.343 14 residues pruned to eliminate duplicates I: 29 13.923 1.927 0.444 0.308 0.857 0.571 CB 1.365 18 residues pruned to eliminate duplicates J: 10 11.456 1.890 0.404 0.830 1.000 0.889 CB 1.082 K: 24 17.705 2.158 0.903 0.261 0.913 0.304 CA 1.295 L: 17 28.880 2.097 0.682 0.933 0.938 0.875 CB 1.524 M: 7 7.875 1.714 0.212 0.826 1.000 0.833 N 1.167 6 residues pruned to eliminate duplicates N: 9 12.518 1.984 0.453 0.895 0.875 0.375 CB 1.257 10 residues pruned to eliminate duplicates O: 21 34.090 2.259 0.559 0.912 1.000 0.750 CB 1.532 21 residues pruned to eliminate duplicates P: 10 10.483 1.887 0.220 0.833 0.889 0.556 CA 1.281 10 residues pruned to eliminate duplicates Q: 36 25.135 2.082 0.604 0.507 0.971 0.629 CB 1.300 R: 25 30.926 2.092 0.746 0.670 0.917 0.750 CB 1.612 16 residues pruned to eliminate duplicates S: 21 32.508 2.152 0.554 0.913 1.000 0.950 CB 1.538 21 residues pruned to eliminate duplicates T: 19 23.949 1.947 0.395 0.897 0.944 0.833 CB 1.575 18 residues pruned to eliminate duplicates U: 19 25.595 2.064 0.602 0.922 1.000 0.889 CB 1.283 20 residues pruned to eliminate duplicates V: 22 48.314 2.292 0.965 0.925 1.000 0.714 CB 1.643 22 residues pruned to eliminate duplicates W: 19 20.954 2.014 0.358 0.909 1.000 1.000 CB 1.282 19 residues pruned to eliminate duplicates X: 20 28.521 2.061 0.492 0.932 0.947 0.737 CB 1.569 18 residues pruned to eliminate duplicates Y: 35 30.058 2.039 0.661 0.613 0.971 0.676 CA 1.409 Z: 8 10.344 1.795 0.138 0.826 1.000 0.714 CA 1.443 6 residues pruned to eliminate duplicates Z: 36 27.023 2.039 0.585 0.609 0.943 0.600 CA 1.351 35 residues pruned to eliminate duplicates Z: 10 12.096 1.663 0.373 0.871 1.000 1.000 CA 1.287 10 residues pruned to eliminate duplicates Z: 8 10.475 1.880 0.000 0.826 1.000 0.429 C 1.589 8 residues pruned to eliminate duplicates Z: 8 18.630 1.988 0.798 0.910 1.000 0.857 CA 1.397 9 residues pruned to eliminate duplicates Z: 18 26.539 2.094 0.393 0.916 0.941 0.824 CB 1.655 18 residues pruned to eliminate duplicates Z: 17 25.991 2.059 0.712 0.894 1.000 0.688 CA 1.321 17 residues pruned to eliminate duplicates Z: 31 27.485 2.026 0.439 0.711 0.933 0.800 CB 1.523 31 residues pruned to eliminate duplicates Z: 8 9.882 1.793 0.058 0.819 1.000 0.714 CB 1.492 8 residues pruned to eliminate duplicates Z: 20 35.043 2.263 0.623 0.894 1.000 0.789 CB 1.570 20 residues pruned to eliminate duplicates Z: 16 12.085 2.000 0.894 0.292 0.800 0.333 CB 1.299 16 residues pruned to eliminate duplicates Z: 21 50.956 2.349 0.988 0.938 1.000 0.800 CB 1.697 22 residues pruned to eliminate duplicates Z: 19 15.971 1.879 0.764 0.505 0.889 0.667 CB 1.271 Z: 11 15.884 1.883 0.308 0.887 1.000 0.800 CA 1.470 Z: 44 19.795 1.973 0.502 0.423 0.907 0.605 CB 1.217 Z: 8 8.995 1.760 0.696 0.517 0.857 0.714 CA 1.306 Z: 21 19.257 2.048 0.229 0.619 1.000 0.750 CA 1.529 13 residues pruned to eliminate duplicates Z: 18 20.947 2.076 0.320 0.910 1.000 0.824 CB 1.315 18 residues pruned to eliminate duplicates Z: 21 42.659 2.328 0.862 0.927 0.950 0.650 CB 1.624 21 residues pruned to eliminate duplicates Z: 31 12.701 1.942 0.591 0.314 0.700 0.433 CB 1.317 Z: 24 17.549 2.043 0.760 0.442 0.913 0.522 CB 1.182 24 residues pruned to eliminate duplicates Z: 22 43.258 2.276 0.847 0.908 1.000 0.667 CB 1.596 21 residues pruned to eliminate duplicates Z: 22 44.169 2.215 1.002 0.910 1.000 0.571 CB 1.541 22 residues pruned to eliminate duplicates Z: 20 17.780 1.977 0.118 0.905 1.000 0.842 CB 1.313 20 residues pruned to eliminate duplicates Z: 16 23.751 2.050 0.603 0.929 0.933 0.800 CA 1.399 16 residues pruned to eliminate duplicates Z: 15 20.806 2.191 0.576 0.849 0.929 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 10 15.454 1.903 0.655 0.763 1.000 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 22 34.970 2.214 0.593 0.862 1.000 0.714 CB 1.589 22 residues pruned to eliminate duplicates Z: 36 14.972 1.880 0.587 0.357 0.829 0.543 CB 1.195 Z: 21 44.835 2.347 0.855 0.932 0.950 0.900 CB 1.693 21 residues pruned to eliminate duplicates Z: 22 38.398 2.236 0.627 0.870 1.000 0.810 CB 1.682 22 residues pruned to eliminate duplicates Z: 8 8.283 1.605 0.584 0.811 0.857 0.429 CA 1.096 Z: 15 34.535 2.187 0.836 0.923 0.929 0.643 CB 1.740 15 residues pruned to eliminate duplicates Z: 21 20.909 1.969 0.287 0.864 0.900 0.750 CB 1.503 21 residues pruned to eliminate duplicates Z: 41 18.350 1.918 0.681 0.411 0.825 0.475 CB 1.197 34 residues pruned to eliminate duplicates Z: 9 9.922 1.878 0.165 0.833 0.875 0.750 CA 1.375 7 residues pruned to eliminate duplicates Z: 26 10.560 1.682 0.329 0.358 0.920 0.480 CA 1.197 Z: 42 26.614 2.067 0.614 0.531 0.878 0.561 CB 1.376 46 residues pruned to eliminate duplicates Z: 21 32.297 1.980 0.700 0.865 0.950 0.550 CB 1.654 18 residues pruned to eliminate duplicates Z: 21 24.583 1.985 0.570 0.897 1.000 0.850 CB 1.263 21 residues pruned to eliminate duplicates Z: 9 18.128 2.027 0.762 0.689 1.000 0.875 CA 1.510 Z: 27 9.975 1.974 0.253 0.293 0.769 0.500 CB 1.297 24 residues pruned to eliminate duplicates Z: 12 14.142 1.919 0.424 0.881 0.818 0.545 CB 1.382 12 residues pruned to eliminate duplicates Z: 20 14.757 1.823 0.680 0.473 0.947 0.579 CB 1.200 20 residues pruned to eliminate duplicates 6 1.764 1.587 0.318 0.378 0.600 0.400 CB 0.717 ? Z: 10 5.921 1.623 0.939 0.166 0.778 0.222 CA 1.211 Z: 10 4.640 1.567 0.604 0.255 0.778 0.667 CB 1.048 5 residues pruned to eliminate duplicates Z: 17 34.803 2.092 1.132 0.939 1.000 0.688 CA 1.356 17 residues pruned to eliminate duplicates Z: 10 13.903 1.804 0.455 0.836 1.000 0.667 CA 1.321 Z: 12 12.053 1.872 0.801 0.542 0.727 0.455 CA 1.422 12 residues pruned to eliminate duplicates Z: 23 45.225 2.213 0.988 0.927 1.000 0.909 CB 1.535 23 residues pruned to eliminate duplicates Z: 30 34.182 2.051 0.676 0.750 0.966 0.862 CB 1.530 28 residues pruned to eliminate duplicates Z: 21 17.928 2.037 0.557 0.512 0.850 0.650 CA 1.469 Z: 16 10.192 1.861 0.407 0.444 0.867 0.467 CB 1.229 Z: 12 13.345 1.934 0.163 0.903 1.000 0.909 CB 1.275 13 residues pruned to eliminate duplicates Z: 21 47.325 2.340 0.950 0.935 1.000 0.800 CB 1.615 21 residues pruned to eliminate duplicates Z: 25 16.223 1.958 0.610 0.327 0.833 0.458 CB 1.524 Z: 23 9.867 1.770 0.505 0.309 0.773 0.545 CA 1.263 23 residues pruned to eliminate duplicates Z: 12 10.164 2.049 0.542 0.373 0.818 0.636 CB 1.359 Z: 12 13.975 1.697 0.424 0.886 1.000 0.818 CA 1.258 11 residues pruned to eliminate duplicates Z: 21 49.777 2.254 1.173 0.930 0.950 0.850 CB 1.673 21 residues pruned to eliminate duplicates Z: 11 11.446 2.054 0.455 0.494 0.900 0.700 CB 1.355 12 residues pruned to eliminate duplicates Z: 30 27.884 2.179 0.833 0.450 0.931 0.552 CB 1.466 29 residues pruned to eliminate duplicates Z: 6 9.734 2.284 0.323 0.449 1.000 0.400 CB 1.519 6 residues pruned to eliminate duplicates Z: 7 6.099 1.888 0.447 0.521 1.000 0.667 CB 0.893 Z: 20 14.974 2.044 0.919 0.339 0.842 0.526 CA 1.240 13 residues pruned to eliminate duplicates Z: 22 38.745 2.238 0.634 0.921 1.000 0.810 CB 1.627 22 residues pruned to eliminate duplicates Z: 20 14.579 1.870 0.707 0.451 0.895 0.632 CB 1.231 20 residues pruned to eliminate duplicates Z: 8 14.920 1.989 0.310 0.903 1.000 1.000 CA 1.541 8 residues pruned to eliminate duplicates Z: 17 12.766 1.986 0.290 0.456 0.875 0.562 CA 1.490 23 residues pruned to eliminate duplicates Z: 18 9.253 1.814 0.328 0.388 0.824 0.529 CB 1.274 Z: 72 40.250 1.991 0.698 0.611 0.915 0.563 CB 1.390 59 residues pruned to eliminate duplicates Z: 8 10.584 1.946 0.852 0.706 0.857 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 21 43.786 2.329 0.710 0.936 1.000 0.800 CB 1.711 21 residues pruned to eliminate duplicates Z: 70 53.146 2.193 0.813 0.612 0.957 0.638 CB 1.513 64 residues pruned to eliminate duplicates Z: 18 27.232 2.050 0.930 0.935 0.941 0.647 CA 1.236 18 residues pruned to eliminate duplicates Z: 33 14.104 1.958 0.441 0.380 0.844 0.469 CB 1.190 14 residues pruned to eliminate duplicates Z: 22 29.549 1.948 0.596 0.901 1.000 0.857 CB 1.480 22 residues pruned to eliminate duplicates Z: 43 28.108 2.086 0.651 0.514 0.905 0.595 CB 1.373 43 residues pruned to eliminate duplicates Z: 20 26.117 2.053 0.716 0.605 0.947 0.632 CB 1.625 20 residues pruned to eliminate duplicates Z: 51 30.153 2.001 0.483 0.646 0.920 0.700 CA 1.363 53 residues pruned to eliminate duplicates Z: 34 17.351 2.022 0.529 0.362 0.879 0.515 CB 1.289 30 residues pruned to eliminate duplicates Z: 29 14.022 2.038 0.277 0.427 0.893 0.571 CB 1.231 29 residues pruned to eliminate duplicates Z: 10 11.945 1.744 0.481 0.850 0.889 0.778 CA 1.285 10 residues pruned to eliminate duplicates Z: 16 22.552 2.137 0.594 0.909 0.933 0.933 CA 1.300 16 residues pruned to eliminate duplicates Z: 11 10.664 1.884 0.234 0.877 0.900 0.800 CB 1.171 11 residues pruned to eliminate duplicates Z: 22 17.484 2.065 0.707 0.388 0.905 0.571 CB 1.347 22 residues pruned to eliminate duplicates Z: 21 7.866 1.832 0.161 0.398 0.750 0.550 CB 1.228 21 residues pruned to eliminate duplicates Z: 7 11.653 1.985 0.705 0.556 0.833 0.667 CA 1.597 Z: 19 32.618 2.079 1.006 0.911 0.944 0.722 CA 1.383 19 residues pruned to eliminate duplicates Z: 19 14.918 1.966 0.757 0.374 0.944 0.611 CA 1.233 19 residues pruned to eliminate duplicates Z: 18 30.493 2.087 0.692 0.913 0.941 0.647 CB 1.574 18 residues pruned to eliminate duplicates Z: 8 14.842 1.938 0.901 0.726 0.857 0.857 CB 1.449 8 residues pruned to eliminate duplicates Z: 21 39.568 2.294 0.957 0.922 0.900 0.550 CB 1.541 21 residues pruned to eliminate duplicates Z: 29 24.339 1.999 0.691 0.633 0.893 0.429 CA 1.345 29 residues pruned to eliminate duplicates Z: 7 13.373 1.792 1.065 0.861 0.833 0.667 CB 1.301 7 residues pruned to eliminate duplicates Z: 21 11.422 1.871 0.163 0.379 1.000 0.550 CA 1.335 29 residues pruned to eliminate duplicates Z: 23 14.471 2.062 0.598 0.410 0.773 0.500 CB 1.332 23 residues pruned to eliminate duplicates Z: 19 26.623 2.038 0.660 0.920 1.000 0.833 CB 1.307 19 residues pruned to eliminate duplicates Z: 8 6.384 2.015 0.569 0.374 0.857 0.429 CB 1.019 8 residues pruned to eliminate duplicates Z: 10 7.784 1.796 0.455 0.539 1.000 0.667 CB 0.956 10 residues pruned to eliminate duplicates Z: 13 13.778 1.948 0.532 0.449 0.917 0.500 CB 1.531 13 residues pruned to eliminate duplicates Z: 8 12.363 1.904 0.339 0.818 0.857 0.571 O 1.622 10 residues pruned to eliminate duplicates Z: 36 15.405 1.993 0.483 0.343 0.857 0.429 CB 1.220 32 residues pruned to eliminate duplicates Z: 22 15.147 2.025 0.411 0.443 0.857 0.429 CA 1.431 22 residues pruned to eliminate duplicates Z: 14 10.305 1.824 0.344 0.473 0.923 0.615 CB 1.298 14 residues pruned to eliminate duplicates Z: 34 16.922 1.933 0.564 0.388 0.909 0.697 CB 1.207 35 residues pruned to eliminate duplicates Z: 7 8.390 1.764 0.417 0.652 1.000 0.667 CA 1.189 Z: 42 24.809 2.009 0.687 0.477 0.756 0.463 CA 1.548 39 residues pruned to eliminate duplicates Z: 43 38.183 2.032 0.767 0.690 1.000 0.738 CA 1.378 43 residues pruned to eliminate duplicates Z: 11 9.781 2.158 -0.011 0.553 1.000 0.600 CB 1.377 11 residues pruned to eliminate duplicates Z: 7 5.745 1.708 0.547 0.493 0.667 0.667 CA 1.341 Z: 11 5.697 1.832 0.628 0.429 0.800 0.500 CB 0.812 11 residues pruned to eliminate duplicates Z: 36 27.139 1.982 0.538 0.633 0.914 0.629 CA 1.453 36 residues pruned to eliminate duplicates Z: 10 15.399 1.956 0.723 0.623 1.000 0.889 CA 1.355 9 residues pruned to eliminate duplicates Z: 20 16.044 1.916 0.549 0.339 1.000 0.526 CA 1.477 18 residues pruned to eliminate duplicates Z: 15 8.746 1.827 0.359 0.367 0.857 0.571 CA 1.267 15 residues pruned to eliminate duplicates Z: 7 6.486 1.428 0.996 0.553 0.833 0.500 O 1.059 Z: 9 11.196 1.782 0.906 0.488 0.875 0.750 O 1.348 9 residues pruned to eliminate duplicates Z: 17 10.755 1.847 0.204 0.339 0.938 0.625 C 1.539 17 residues pruned to eliminate duplicates Z: 7 5.912 1.548 0.816 0.650 0.833 0.667 N 0.896 7 residues pruned to eliminate duplicates Z: 10 14.839 1.914 0.659 0.920 0.889 0.667 CB 1.234 10 residues pruned to eliminate duplicates Z: 12 12.606 2.000 0.614 0.489 0.909 0.727 CB 1.310 11 residues pruned to eliminate duplicates Z: 14 11.557 1.983 0.668 0.340 0.846 0.615 CA 1.363 14 residues pruned to eliminate duplicates Z: 35 17.563 1.998 0.495 0.469 0.824 0.706 CB 1.264 35 residues pruned to eliminate duplicates Z: 20 16.263 1.872 0.748 0.468 0.947 0.526 CB 1.243 20 residues pruned to eliminate duplicates Z: 31 23.064 2.133 0.620 0.427 0.933 0.533 CB 1.408 34 residues pruned to eliminate duplicates Z: 9 15.960 1.738 0.750 0.857 1.000 0.875 CA 1.367 9 residues pruned to eliminate duplicates Z: 29 17.023 2.033 0.425 0.466 0.821 0.607 CB 1.400 29 residues pruned to eliminate duplicates Z: 11 5.584 1.625 0.306 0.643 0.700 0.600 CB 1.040 Z: 9 10.480 1.772 0.364 0.804 0.875 0.750 CA 1.343 9 residues pruned to eliminate duplicates Z: 71 42.981 2.031 0.634 0.634 0.929 0.571 CB 1.470 70 residues pruned to eliminate duplicates Z: 34 31.030 2.044 0.646 0.646 1.000 0.697 CA 1.401 35 residues pruned to eliminate duplicates Z: 10 15.034 1.918 0.449 0.924 1.000 0.889 CB 1.267 10 residues pruned to eliminate duplicates Z: 13 3.690 1.609 0.081 0.392 0.750 0.583 CB 0.917 13 residues pruned to eliminate duplicates Z: 18 44.932 2.321 1.066 0.936 1.000 0.647 CB 1.583 18 residues pruned to eliminate duplicates Z: 40 22.222 1.961 0.591 0.458 0.795 0.513 CB 1.498 40 residues pruned to eliminate duplicates Z: 11 12.514 2.045 0.247 0.835 0.900 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 30 14.574 1.907 0.499 0.332 0.862 0.655 CB 1.319 11 residues pruned to eliminate duplicates Z: 32 15.591 2.038 0.397 0.299 0.903 0.516 CB 1.363 32 residues pruned to eliminate duplicates Z: 21 37.801 2.309 0.825 0.905 0.900 0.550 CB 1.586 21 residues pruned to eliminate duplicates Z: 6 7.735 1.785 0.744 0.639 0.800 0.800 CB 1.219 6 residues pruned to eliminate duplicates Z: 7 2.391 1.406 0.655 0.387 0.667 0.333 CB 0.709 Z: 6 5.387 1.669 0.309 0.628 1.000 0.800 CA 0.978 Z: 8 4.381 1.860 0.043 0.264 0.857 0.429 CB 1.304 8 residues pruned to eliminate duplicates Z: 6 2.800 1.563 0.532 0.357 0.600 0.400 CB 1.017 Z: 12 12.747 1.929 0.465 0.877 1.000 0.727 CB 0.988 12 residues pruned to eliminate duplicates Z: 26 13.082 2.075 0.347 0.365 0.840 0.600 CB 1.288 26 residues pruned to eliminate duplicates Z: 12 13.873 1.954 0.822 0.520 0.909 0.636 CB 1.267 12 residues pruned to eliminate duplicates Z: 18 11.304 1.988 0.518 0.418 0.824 0.471 CB 1.203 18 residues pruned to eliminate duplicates Z: 37 15.618 1.903 0.506 0.331 0.861 0.444 CB 1.270 37 residues pruned to eliminate duplicates Z: 10 13.080 1.821 0.465 0.882 0.889 0.444 CB 1.331 10 residues pruned to eliminate duplicates Z: 26 14.689 2.031 0.760 0.378 0.800 0.560 CB 1.169 26 residues pruned to eliminate duplicates Z: 9 4.919 1.671 0.146 0.431 0.750 0.500 CB 1.301 Z: 21 24.882 1.952 0.588 0.894 0.850 0.650 CB 1.515 21 residues pruned to eliminate duplicates Z: 19 28.419 2.072 0.837 0.912 0.944 0.778 CA 1.320 19 residues pruned to eliminate duplicates Z: 21 52.753 2.332 1.226 0.943 0.950 0.550 CB 1.659 21 residues pruned to eliminate duplicates Z: 10 4.172 1.872 -0.028 0.431 0.778 0.556 CB 1.055 10 residues pruned to eliminate duplicates Z: 16 12.084 1.837 0.719 0.543 0.800 0.467 CB 1.184 16 residues pruned to eliminate duplicates Z: 21 24.876 1.919 0.695 0.867 0.950 0.600 CA 1.316 21 residues pruned to eliminate duplicates Z: 17 23.964 2.100 0.517 0.914 1.000 0.812 CA 1.330 17 residues pruned to eliminate duplicates Z: 21 19.260 2.049 0.718 0.503 0.900 0.650 CB 1.356 21 residues pruned to eliminate duplicates Z: 59 33.927 2.010 0.619 0.587 0.879 0.517 CA 1.431 59 residues pruned to eliminate duplicates Z: 16 12.580 1.742 0.644 0.544 0.933 0.667 CB 1.163 Z: 8 6.976 1.736 0.139 0.507 1.000 0.857 CB 1.325 8 residues pruned to eliminate duplicates Z: 8 2.955 1.584 0.487 0.235 0.571 0.143 N 1.129 Z: 9 6.756 1.739 0.371 0.499 0.875 0.625 CA 1.147 9 residues pruned to eliminate duplicates Z: 26 10.924 1.758 0.314 0.382 0.880 0.560 CB 1.218 23 residues pruned to eliminate duplicates Z: 17 29.460 2.113 0.954 0.925 1.000 0.812 CA 1.252 17 residues pruned to eliminate duplicates Z: 20 13.329 1.955 0.579 0.370 0.895 0.474 CB 1.272 20 residues pruned to eliminate duplicates Z: 28 9.095 1.895 0.271 0.277 0.778 0.481 CB 1.203 22 residues pruned to eliminate duplicates Z: 11 9.496 1.732 0.650 0.593 0.900 0.700 CB 1.068 Z: 9 10.420 1.734 0.571 0.794 0.875 0.625 O 1.194 9 residues pruned to eliminate duplicates Z: 9 9.826 1.879 0.378 0.614 1.000 0.625 CA 1.205 9 residues pruned to eliminate duplicates 6 0.982 1.391 0.000 0.315 0.400 0.400 CB 0.968 ? Z: 29 24.125 2.018 0.607 0.552 0.964 0.643 CA 1.385 29 residues pruned to eliminate duplicates Z: 9 11.681 1.741 0.359 0.865 1.000 0.625 CA 1.278 9 residues pruned to eliminate duplicates Z: 74 40.422 2.008 0.687 0.560 0.918 0.575 CA 1.435 74 residues pruned to eliminate duplicates Z: 9 5.991 1.696 0.507 0.389 0.875 0.375 CA 1.065 8 residues pruned to eliminate duplicates Z: 10 6.976 1.809 0.366 0.515 0.889 0.556 CB 1.043 Z: 18 24.274 1.989 0.826 0.865 0.941 0.824 CB 1.262 18 residues pruned to eliminate duplicates Z: 10 4.934 1.715 0.233 0.491 0.889 0.333 CB 0.883 10 residues pruned to eliminate duplicates Z: 40 24.510 1.966 0.481 0.606 0.974 0.718 CA 1.250 40 residues pruned to eliminate duplicates Z: 33 17.315 1.990 0.581 0.410 0.875 0.562 CB 1.223 20 residues pruned to eliminate duplicates Z: 12 6.874 1.852 0.673 0.288 0.636 0.455 CB 1.334 Z: 10 9.925 1.824 0.720 0.416 1.000 0.333 CA 1.151 10 residues pruned to eliminate duplicates Z: 22 15.739 1.964 0.604 0.448 0.857 0.619 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 18.508 2.072 0.564 0.497 0.850 0.400 CB 1.506 21 residues pruned to eliminate duplicates Z: 21 13.269 1.845 0.505 0.307 0.950 0.500 CB 1.394 19 residues pruned to eliminate duplicates Z: 14 33.413 2.201 0.755 0.913 1.000 0.692 CB 1.698 14 residues pruned to eliminate duplicates Z: 25 19.854 2.038 0.560 0.501 0.958 0.625 CB 1.329 25 residues pruned to eliminate duplicates Z: 28 21.959 2.082 0.708 0.483 0.852 0.667 CB 1.420 28 residues pruned to eliminate duplicates Z: 12 9.727 1.896 0.677 0.422 0.818 0.545 CA 1.223 Z: 6 8.147 2.100 0.116 0.502 1.000 0.600 CA 1.552 6 residues pruned to eliminate duplicates Z: 12 17.148 1.793 0.566 0.899 1.000 0.636 CB 1.317 12 residues pruned to eliminate duplicates Z: 7 10.992 1.854 0.444 0.644 1.000 0.500 CA 1.465 7 residues pruned to eliminate duplicates Z: 25 28.516 1.935 0.788 0.721 0.958 0.792 CB 1.437 25 residues pruned to eliminate duplicates 6 1.837 1.533 0.110 0.440 0.800 0.400 CB 0.642 ? Z: 12 9.851 1.845 0.212 0.664 0.909 0.636 CA 1.255 12 residues pruned to eliminate duplicates Z: 11 11.371 1.708 0.710 0.730 0.900 0.700 CA 1.112 11 residues pruned to eliminate duplicates Z: 11 15.712 1.857 0.577 0.915 1.000 0.900 CA 1.199 11 residues pruned to eliminate duplicates Z: 10 16.556 1.992 0.506 0.845 0.889 0.667 CB 1.540 10 residues pruned to eliminate duplicates Z: 18 7.170 1.746 0.210 0.375 0.941 0.471 CB 1.000 18 residues pruned to eliminate duplicates Z: 38 25.518 2.073 0.682 0.498 0.865 0.486 CB 1.394 44 residues pruned to eliminate duplicates Z: 32 16.756 2.005 0.504 0.382 0.742 0.452 CA 1.525 32 residues pruned to eliminate duplicates Z: 7 11.386 1.481 0.747 0.891 1.000 1.000 CB 1.291 6 residues pruned to eliminate duplicates Z: 31 21.726 2.176 0.573 0.356 0.900 0.500 CB 1.505 31 residues pruned to eliminate duplicates Z: 20 10.580 1.809 0.557 0.355 0.842 0.737 CA 1.197 17 residues pruned to eliminate duplicates Z: 20 12.332 1.988 0.775 0.322 0.895 0.474 CB 1.090 12 residues pruned to eliminate duplicates Z: 36 22.345 2.005 0.777 0.489 0.886 0.600 CB 1.210 51 residues pruned to eliminate duplicates Z: 14 9.234 1.756 0.612 0.549 0.846 0.692 CB 1.019 14 residues pruned to eliminate duplicates Z: 23 14.677 1.997 0.351 0.388 0.955 0.500 CB 1.369 23 residues pruned to eliminate duplicates Z: 6 6.215 1.956 0.700 0.540 0.600 0.600 CA 1.340 Z: 72 49.428 2.181 0.770 0.575 0.944 0.634 CB 1.497 72 residues pruned to eliminate duplicates Z: 24 11.777 1.772 0.229 0.420 0.957 0.522 CB 1.282 21 residues pruned to eliminate duplicates Z: 24 9.817 1.771 0.364 0.364 0.783 0.522 CB 1.253 46 residues pruned to eliminate duplicates Z: 10 15.158 1.925 0.551 0.650 1.000 0.778 CA 1.472 Z: 17 22.827 2.045 0.523 0.906 1.000 0.938 CA 1.303 17 residues pruned to eliminate duplicates Z: 48 17.601 1.892 0.500 0.375 0.830 0.553 CB 1.246 48 residues pruned to eliminate duplicates Z: 23 10.291 1.793 0.309 0.267 0.909 0.409 CB 1.342 18 residues pruned to eliminate duplicates Z: 33 22.793 2.039 0.639 0.513 0.906 0.719 CB 1.313 35 residues pruned to eliminate duplicates Z: 37 20.414 2.010 0.610 0.434 0.889 0.528 CB 1.266 37 residues pruned to eliminate duplicates Z: 6 5.091 1.857 0.270 0.489 0.800 0.600 CB 1.220 Z: 14 10.125 1.893 0.347 0.410 0.923 0.615 CB 1.312 14 residues pruned to eliminate duplicates Z: 6 10.893 2.064 0.353 0.646 1.000 1.000 CB 1.522 6 residues pruned to eliminate duplicates Z: 9 5.014 1.723 0.214 0.492 0.875 0.625 N 0.977 Z: 11 6.039 1.887 0.386 0.193 0.800 0.300 CB 1.316 11 residues pruned to eliminate duplicates Z: 21 40.081 2.278 0.718 0.915 1.000 0.850 CB 1.619 21 residues pruned to eliminate duplicates Z: 30 27.297 2.023 0.678 0.644 0.897 0.793 CB 1.456 30 residues pruned to eliminate duplicates Z: 18 30.023 2.051 0.913 0.908 0.941 0.824 CA 1.400 18 residues pruned to eliminate duplicates Z: 9 15.418 1.803 0.665 0.780 1.000 0.625 CA 1.418 10 residues pruned to eliminate duplicates Z: 18 9.420 2.026 0.197 0.400 0.765 0.353 CB 1.368 18 residues pruned to eliminate duplicates Z: 6 8.445 1.795 0.626 0.498 1.000 0.600 CB 1.296 Z: 11 3.854 1.756 0.273 0.329 0.700 0.400 CA 0.939 11 residues pruned to eliminate duplicates Z: 20 26.579 2.017 0.748 0.910 0.842 0.579 CB 1.456 20 residues pruned to eliminate duplicates Z: 17 14.228 2.095 0.391 0.340 0.875 0.500 CA 1.660 17 residues pruned to eliminate duplicates Z: 11 11.131 1.825 0.638 0.924 0.800 0.500 CB 1.033 11 residues pruned to eliminate duplicates Z: 10 3.703 1.410 0.349 0.601 0.667 0.333 CA 0.884 6 residues pruned to eliminate duplicates Z: 32 20.452 2.075 0.639 0.430 0.935 0.581 CB 1.242 32 residues pruned to eliminate duplicates Z: 21 28.571 2.052 0.754 0.890 0.950 0.750 CB 1.344 21 residues pruned to eliminate duplicates 6 1.965 1.427 0.436 0.472 0.800 0.400 CB 0.552 ? Z: 6 4.609 1.818 0.586 0.534 0.600 0.600 N 1.152 6 residues pruned to eliminate duplicates Z: 8 7.691 1.607 0.592 0.706 1.000 0.857 CB 0.942 7 residues pruned to eliminate duplicates 6 0.491 1.078 0.038 0.294 0.800 0.600 CA 0.309 ? Z: 7 6.069 1.804 0.508 0.397 0.833 0.500 CA 1.218 8 residues pruned to eliminate duplicates Z: 30 21.557 2.030 0.825 0.464 0.897 0.552 CB 1.251 30 residues pruned to eliminate duplicates Z: 46 34.324 2.133 0.689 0.465 0.933 0.556 CB 1.576 59 residues pruned to eliminate duplicates Z: 10 12.185 1.806 0.244 0.903 1.000 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 7 13.093 1.855 0.467 0.770 1.000 1.000 CA 1.547 7 residues pruned to eliminate duplicates Z: 10 6.114 1.756 0.584 0.293 0.778 0.556 CA 1.188 10 residues pruned to eliminate duplicates Z: 11 10.357 1.843 0.381 0.664 0.900 0.700 CB 1.229 11 residues pruned to eliminate duplicates Z: 6 7.166 1.747 0.572 0.529 0.800 0.800 CB 1.417 6 residues pruned to eliminate duplicates Z: 15 13.041 1.734 0.688 0.412 0.857 0.643 CB 1.524 15 residues pruned to eliminate duplicates Z: 32 17.248 2.019 0.713 0.389 0.839 0.548 CB 1.202 27 residues pruned to eliminate duplicates Z: 6 6.249 1.971 0.513 0.516 0.600 0.600 CB 1.537 5 residues pruned to eliminate duplicates Z: 11 9.822 1.909 0.669 0.527 0.900 0.700 CB 1.054 7 residues pruned to eliminate duplicates Z: 10 3.963 1.642 -0.242 0.460 1.000 0.444 CB 1.107 Z: 22 11.194 1.726 0.422 0.394 0.905 0.524 CB 1.231 24 residues pruned to eliminate duplicates Z: 13 11.978 1.765 0.464 0.628 0.917 0.667 CB 1.294 16 residues pruned to eliminate duplicates Z: 9 7.899 1.897 0.478 0.517 1.000 0.500 CB 0.980 9 residues pruned to eliminate duplicates Z: 17 13.684 2.099 0.761 0.326 0.812 0.500 CA 1.379 17 residues pruned to eliminate duplicates Z: 8 14.464 1.850 0.762 0.858 1.000 0.286 CA 1.235 8 residues pruned to eliminate duplicates Z: 12 9.849 1.912 0.509 0.540 0.909 0.909 CB 1.088 12 residues pruned to eliminate duplicates Z: 7 9.989 1.936 0.653 0.693 0.833 0.833 CA 1.281 7 residues pruned to eliminate duplicates Z: 12 9.282 1.712 0.589 0.458 0.818 0.636 CA 1.312 10 residues pruned to eliminate duplicates Z: 10 10.072 1.720 0.342 0.813 1.000 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 29 26.517 2.020 0.587 0.651 0.929 0.750 CB 1.462 29 residues pruned to eliminate duplicates Z: 20 8.462 1.966 0.408 0.312 0.789 0.474 CB 1.094 20 residues pruned to eliminate duplicates Z: 15 9.105 1.738 0.414 0.481 0.786 0.500 CA 1.285 15 residues pruned to eliminate duplicates Z: 13 8.708 1.882 0.724 0.417 0.750 0.500 CB 1.126 13 residues pruned to eliminate duplicates Z: 47 34.040 2.077 0.599 0.618 0.935 0.717 CB 1.446 47 residues pruned to eliminate duplicates Z: 11 9.085 1.550 0.160 0.789 1.000 0.800 CA 1.240 11 residues pruned to eliminate duplicates Z: 17 22.769 2.066 0.622 0.932 1.000 1.000 CA 1.187 17 residues pruned to eliminate duplicates Z: 13 16.412 1.968 0.781 0.862 0.917 0.583 CA 1.082 13 residues pruned to eliminate duplicates Z: 21 43.896 2.279 0.817 0.884 1.000 0.850 CB 1.713 21 residues pruned to eliminate duplicates Z: 9 13.212 1.814 0.492 0.908 1.000 0.875 CB 1.226 9 residues pruned to eliminate duplicates Z: 21 21.311 1.946 0.557 0.654 0.850 0.550 CA 1.602 21 residues pruned to eliminate duplicates Z: 22 13.517 1.804 0.553 0.300 0.857 0.429 CA 1.536 22 residues pruned to eliminate duplicates Z: 61 36.159 1.970 0.709 0.583 0.933 0.633 CB 1.371 39 residues pruned to eliminate duplicates Z: 32 21.774 2.095 0.698 0.377 0.871 0.355 CA 1.438 32 residues pruned to eliminate duplicates Z: 6 3.242 1.592 0.161 0.413 0.800 0.400 CB 1.074 Z: 9 3.354 1.507 0.551 0.220 0.875 0.375 CB 0.805 Z: 9 7.800 1.783 0.109 0.817 0.750 0.625 CA 1.413 9 residues pruned to eliminate duplicates Z: 13 8.511 1.872 0.296 0.547 0.833 0.750 CB 1.161 13 residues pruned to eliminate duplicates Z: 10 7.640 1.904 0.298 0.392 0.889 0.444 CB 1.300 10 residues pruned to eliminate duplicates Z: 12 8.571 1.803 0.358 0.411 0.818 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 42 27.731 2.085 0.715 0.506 0.878 0.390 CB 1.371 42 residues pruned to eliminate duplicates Z: 13 7.647 1.750 0.618 0.493 0.833 0.500 CB 0.942 13 residues pruned to eliminate duplicates Z: 13 8.953 1.776 0.804 0.333 0.833 0.583 CB 1.163 13 residues pruned to eliminate duplicates Z: 8 10.317 1.808 0.261 0.848 1.000 0.571 CA 1.269 8 residues pruned to eliminate duplicates Z: 8 7.900 1.576 0.432 0.467 1.000 0.714 CA 1.369 Z: 21 31.267 1.986 0.874 0.851 0.900 0.650 CB 1.545 21 residues pruned to eliminate duplicates Z: 21 21.064 2.055 0.749 0.501 0.900 0.600 CB 1.454 21 residues pruned to eliminate duplicates Z: 35 22.761 2.072 0.569 0.459 0.912 0.559 CB 1.373 35 residues pruned to eliminate duplicates Z: 10 5.786 1.611 0.662 0.409 0.889 0.667 CB 0.891 3 residues pruned to eliminate duplicates Z: 8 6.572 1.765 0.307 0.555 0.714 0.571 CA 1.428 10 residues pruned to eliminate duplicates Z: 18 13.152 1.879 0.697 0.324 0.882 0.412 CB 1.376 18 residues pruned to eliminate duplicates Z: 16 12.387 2.000 0.323 0.502 0.867 0.800 CB 1.391 16 residues pruned to eliminate duplicates Z: 9 5.961 1.765 0.406 0.494 0.875 0.750 CA 0.977 9 residues pruned to eliminate duplicates Z: 8 17.926 2.051 0.859 0.740 1.000 0.714 CB 1.433 8 residues pruned to eliminate duplicates Z: 15 10.040 1.822 0.437 0.390 1.000 0.786 CB 1.151 Z: 12 12.245 1.946 0.492 0.843 0.727 0.364 CA 1.301 12 residues pruned to eliminate duplicates Z: 9 17.015 1.830 0.849 0.886 1.000 0.750 CB 1.282 9 residues pruned to eliminate duplicates Z: 18 9.096 1.963 0.443 0.386 0.765 0.588 CB 1.149 18 residues pruned to eliminate duplicates Z: 13 5.729 1.702 0.290 0.479 0.833 0.583 CB 0.923 Z: 8 8.621 1.714 0.585 0.678 1.000 0.857 CB 1.018 8 residues pruned to eliminate duplicates Z: 9 5.926 1.595 0.523 0.470 0.875 0.375 CB 1.016 Z: 8 6.912 1.804 0.760 0.316 0.714 0.571 N 1.411 Z: 21 9.216 1.812 0.478 0.295 0.800 0.600 CB 1.209 21 residues pruned to eliminate duplicates Z: 21 18.912 2.024 0.629 0.501 0.850 0.550 CA 1.507 21 residues pruned to eliminate duplicates Z: 24 15.204 1.925 0.481 0.460 0.870 0.435 CA 1.331 24 residues pruned to eliminate duplicates Z: 20 28.970 2.012 0.986 0.881 0.842 0.579 CA 1.431 20 residues pruned to eliminate duplicates Z: 10 6.324 1.561 0.471 0.455 0.889 0.556 CB 1.082 9 residues pruned to eliminate duplicates Z: 32 18.938 1.963 0.498 0.413 0.806 0.581 CB 1.571 32 residues pruned to eliminate duplicates Z: 16 20.584 2.212 0.314 0.567 1.000 0.733 CA 1.714 16 residues pruned to eliminate duplicates Z: 21 6.038 1.616 0.168 0.407 0.950 0.650 CB 0.830 13 residues pruned to eliminate duplicates Z: 7 6.390 1.740 -0.032 0.683 1.000 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 17 22.302 1.937 0.768 0.891 0.812 0.625 CB 1.440 17 residues pruned to eliminate duplicates Z: 22 13.353 1.852 0.720 0.303 0.857 0.619 CB 1.329 22 residues pruned to eliminate duplicates Z: 7 8.195 1.745 0.354 0.493 1.000 0.667 CB 1.425 7 residues pruned to eliminate duplicates Z: 18 5.807 1.718 0.484 0.269 0.647 0.529 CB 1.110 Z: 19 9.285 1.841 0.576 0.255 0.833 0.667 CB 1.198 19 residues pruned to eliminate duplicates Z: 14 6.971 1.700 0.545 0.448 0.769 0.615 CB 1.009 14 residues pruned to eliminate duplicates Z: 19 27.205 2.074 0.667 0.907 0.944 0.833 CB 1.395 19 residues pruned to eliminate duplicates Z: 21 47.574 2.270 1.112 0.893 1.000 0.650 CB 1.593 21 residues pruned to eliminate duplicates Z: 21 32.924 2.018 1.072 0.919 0.900 0.550 CB 1.378 19 residues pruned to eliminate duplicates Z: 9 2.765 1.433 0.051 0.386 0.750 0.250 CB 0.977 9 residues pruned to eliminate duplicates Z: 30 9.171 2.023 0.410 0.328 0.724 0.586 CB 0.996 30 residues pruned to eliminate duplicates Z: 9 6.960 1.715 0.378 0.435 0.875 0.375 CA 1.273 9 residues pruned to eliminate duplicates Z: 8 4.263 1.428 0.597 0.424 0.857 0.714 CA 0.892 Z: 13 7.068 1.797 0.154 0.414 0.833 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 7 3.557 1.564 0.140 0.610 0.833 0.500 CB 0.881 7 residues pruned to eliminate duplicates Z: 7 2.619 1.768 0.643 0.375 0.500 0.500 CB 0.842 7 residues pruned to eliminate duplicates Z: 11 14.314 1.883 0.544 0.914 1.000 0.800 CA 1.101 11 residues pruned to eliminate duplicates Z: 10 9.293 1.636 0.539 0.707 1.000 0.667 CB 1.019 10 residues pruned to eliminate duplicates Z: 14 7.268 1.815 0.252 0.505 0.846 0.615 CB 1.043 14 residues pruned to eliminate duplicates Z: 10 5.069 1.524 0.400 0.538 0.889 0.889 CB 0.858 7 residues pruned to eliminate duplicates Z: 7 2.246 1.498 -0.132 0.546 1.000 0.500 CB 0.674 Z: 12 12.635 1.979 0.499 0.533 0.909 0.818 CA 1.367 10 residues pruned to eliminate duplicates Z: 38 19.359 1.978 0.572 0.408 0.838 0.486 CA 1.345 38 residues pruned to eliminate duplicates Z: 22 30.981 1.919 0.944 0.882 0.952 0.667 CB 1.376 22 residues pruned to eliminate duplicates Z: 7 5.737 1.324 1.162 0.549 0.833 0.500 CA 0.936 7 residues pruned to eliminate duplicates 7 1.887 1.315 0.145 0.248 0.667 0.500 CB 1.026 ? Z: 8 15.365 1.713 0.818 0.851 1.000 0.571 CB 1.380 Z: 20 22.676 1.981 0.616 0.919 1.000 0.789 CB 1.145 20 residues pruned to eliminate duplicates Z: 26 17.371 1.951 0.609 0.499 0.920 0.600 CB 1.204 26 residues pruned to eliminate duplicates Z: 9 4.377 1.531 0.656 0.440 0.625 0.500 N 1.039 Z: 15 13.508 2.024 0.280 0.483 0.857 0.643 CA 1.655 15 residues pruned to eliminate duplicates Z: 29 16.540 2.046 0.643 0.335 0.857 0.571 CB 1.299 29 residues pruned to eliminate duplicates Z: 11 15.237 1.829 0.702 0.895 1.000 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 10 13.402 1.967 0.608 0.910 1.000 1.000 CB 1.002 10 residues pruned to eliminate duplicates Z: 26 19.558 1.963 0.305 0.617 0.920 0.840 CA 1.486 26 residues pruned to eliminate duplicates Z: 14 6.967 1.798 0.232 0.507 0.769 0.385 CB 1.127 11 residues pruned to eliminate duplicates Z: 15 7.185 1.521 0.488 0.361 0.857 0.357 CB 1.149 6 residues pruned to eliminate duplicates Z: 14 7.359 1.751 0.694 0.388 0.769 0.538 CB 1.007 14 residues pruned to eliminate duplicates Z: 13 8.578 1.848 0.600 0.507 0.833 0.583 CB 0.998 13 residues pruned to eliminate duplicates Z: 28 16.409 1.968 0.484 0.438 0.889 0.519 CB 1.298 28 residues pruned to eliminate duplicates Z: 10 4.184 1.411 0.521 0.263 0.778 0.444 C 1.095 Z: 8 10.440 1.769 0.598 0.681 0.857 0.714 CB 1.379 Z: 7 5.451 1.600 0.465 0.694 0.833 0.500 CB 0.954 Z: 6 5.511 1.473 0.777 0.466 0.800 0.400 CA 1.218 Z: 14 7.255 1.838 0.569 0.374 0.769 0.385 CB 1.038 14 residues pruned to eliminate duplicates Z: 7 5.469 1.959 0.364 0.425 0.833 0.500 CB 1.085 7 residues pruned to eliminate duplicates Z: 8 10.710 1.704 0.713 0.536 1.000 0.714 CB 1.339 Z: 14 12.720 1.846 0.692 0.409 1.000 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 19 30.119 2.041 0.982 0.923 0.944 0.611 CA 1.306 19 residues pruned to eliminate duplicates Z: 18 13.092 1.912 0.593 0.411 0.941 0.529 CB 1.215 23 residues pruned to eliminate duplicates Z: 12 11.038 1.823 0.588 0.631 0.818 0.364 CB 1.242 Z: 7 2.713 1.756 0.527 0.507 0.833 0.667 CB 0.492 Z: 26 17.475 1.983 0.328 0.427 0.920 0.440 CA 1.557 26 residues pruned to eliminate duplicates Z: 12 8.790 1.743 0.637 0.548 0.818 0.545 CB 1.084 13 residues pruned to eliminate duplicates Z: 9 5.102 1.664 0.138 0.471 0.750 0.625 N 1.307 Z: 6 2.698 1.509 0.092 0.401 0.800 0.600 CB 1.017 Z: 20 12.671 1.897 0.458 0.422 0.895 0.632 CB 1.274 23 residues pruned to eliminate duplicates Z: 14 6.619 1.841 0.287 0.388 0.769 0.615 CB 1.134 14 residues pruned to eliminate duplicates Z: 9 12.400 1.797 0.396 0.917 1.000 1.000 CB 1.233 9 residues pruned to eliminate duplicates Z: 6 3.319 1.836 0.138 0.525 0.800 0.400 CB 0.867 Z: 24 14.592 1.998 0.884 0.359 0.783 0.522 CB 1.202 24 residues pruned to eliminate duplicates 9 1.692 1.417 0.068 0.270 0.750 0.625 CB 0.684 ? Z: 40 23.275 2.067 0.583 0.488 0.949 0.590 CB 1.216 40 residues pruned to eliminate duplicates Z: 8 6.287 1.769 0.252 0.748 1.000 0.714 CB 0.860 Z: 10 12.524 1.745 0.368 0.795 1.000 0.556 CA 1.350 10 residues pruned to eliminate duplicates Z: 8 6.927 1.978 0.404 0.291 0.714 0.571 CB 1.668 8 residues pruned to eliminate duplicates Z: 17 9.641 1.918 0.309 0.313 0.875 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 48 37.305 2.116 0.758 0.468 0.957 0.553 CB 1.578 35 residues pruned to eliminate duplicates Z: 11 8.756 1.853 0.420 0.475 0.800 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 9 10.454 1.856 0.904 0.654 0.875 0.750 CA 1.036 9 residues pruned to eliminate duplicates Z: 20 31.518 2.026 0.810 0.935 1.000 0.474 CB 1.374 20 residues pruned to eliminate duplicates Z: 6 2.886 1.603 -0.237 0.525 0.800 0.400 O 1.287 Z: 14 9.554 1.650 0.566 0.454 0.846 0.385 CA 1.271 14 residues pruned to eliminate duplicates Z: 20 31.413 1.937 0.881 0.871 0.947 0.737 CB 1.523 20 residues pruned to eliminate duplicates Z: 14 16.070 1.984 0.453 0.845 0.923 0.538 CB 1.245 14 residues pruned to eliminate duplicates Z: 11 15.837 1.907 0.832 0.617 1.000 0.900 CB 1.284 11 residues pruned to eliminate duplicates Z: 32 15.881 2.040 0.456 0.404 0.806 0.452 CB 1.316 42 residues pruned to eliminate duplicates Z: 7 8.223 1.766 0.498 0.583 1.000 0.833 CB 1.171 9 residues pruned to eliminate duplicates Z: 19 8.726 1.906 0.327 0.286 0.833 0.500 CB 1.242 19 residues pruned to eliminate duplicates Z: 30 26.432 2.140 0.682 0.459 0.966 0.724 CB 1.473 30 residues pruned to eliminate duplicates Z: 6 6.496 1.455 0.667 0.611 1.000 0.400 CB 1.078 Z: 36 15.491 1.854 0.464 0.402 0.857 0.600 CB 1.248 36 residues pruned to eliminate duplicates Z: 9 11.062 2.025 0.518 0.681 0.875 0.750 CB 1.231 9 residues pruned to eliminate duplicates Z: 6 6.196 2.083 0.442 0.574 0.800 0.400 CB 1.073 6 residues pruned to eliminate duplicates Z: 30 31.515 2.032 0.607 0.729 0.966 0.828 CB 1.511 30 residues pruned to eliminate duplicates Z: 11 10.804 1.901 0.167 0.903 1.000 0.900 CA 1.097 11 residues pruned to eliminate duplicates Z: 10 14.758 1.660 0.724 0.855 1.000 0.778 CA 1.269 10 residues pruned to eliminate duplicates Z: 31 16.322 1.957 0.581 0.292 0.900 0.533 CB 1.350 31 residues pruned to eliminate duplicates Z: 7 5.499 1.870 0.171 0.351 0.833 0.500 CB 1.445 7 residues pruned to eliminate duplicates Z: 9 3.893 1.509 0.127 0.260 0.875 0.500 O 1.217 Z: 9 5.886 2.007 0.026 0.437 0.875 0.500 CB 1.233 9 residues pruned to eliminate duplicates Z: 15 8.960 1.846 0.473 0.469 1.000 0.500 CB 0.909 15 residues pruned to eliminate duplicates 7 0.836 1.070 0.674 0.240 0.667 0.333 CB 0.386 ? Z: 9 14.729 1.973 0.680 0.573 1.000 0.625 CA 1.464 9 residues pruned to eliminate duplicates Z: 8 8.746 1.487 0.669 0.568 1.000 0.714 CB 1.248 8 residues pruned to eliminate duplicates Z: 7 2.762 1.559 0.246 0.156 1.000 0.333 CB 0.886 Z: 12 13.665 1.970 0.337 0.610 0.909 0.545 CB 1.550 8 residues pruned to eliminate duplicates Z: 13 10.812 2.076 0.381 0.407 0.917 0.750 CA 1.309 13 residues pruned to eliminate duplicates Z: 12 8.181 1.640 0.446 0.366 0.909 0.818 CA 1.321 12 residues pruned to eliminate duplicates Z: 31 25.301 2.125 0.778 0.393 0.933 0.467 CB 1.468 31 residues pruned to eliminate duplicates Z: 11 3.295 1.479 0.033 0.268 0.900 0.200 CA 0.987 8 residues pruned to eliminate duplicates Z: 21 44.806 2.271 0.970 0.926 1.000 0.700 CB 1.570 21 residues pruned to eliminate duplicates Z: 12 10.313 2.035 0.499 0.335 1.000 0.545 CB 1.220 12 residues pruned to eliminate duplicates Z: 20 11.882 1.724 0.671 0.469 0.895 0.632 CB 1.092 23 residues pruned to eliminate duplicates Z: 14 16.272 2.071 0.472 0.577 0.923 0.615 CA 1.488 14 residues pruned to eliminate duplicates Z: 9 14.989 1.847 0.512 0.784 1.000 0.500 CB 1.478 10 residues pruned to eliminate duplicates Z: 14 5.587 1.549 0.535 0.230 0.769 0.462 CB 1.160 Z: 6 2.843 1.479 0.225 0.290 0.800 0.400 CB 1.111 Z: 12 10.813 2.049 0.494 0.367 0.909 0.636 CB 1.351 12 residues pruned to eliminate duplicates Z: 11 5.705 1.658 0.806 0.414 0.800 0.500 CB 0.823 11 residues pruned to eliminate duplicates Z: 11 8.536 2.007 0.665 0.270 0.800 0.300 CB 1.312 11 residues pruned to eliminate duplicates Z: 17 18.437 2.132 0.391 0.488 1.000 0.750 CA 1.573 17 residues pruned to eliminate duplicates Z: 16 10.385 1.887 0.477 0.359 0.867 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 32 12.939 1.999 0.593 0.367 0.742 0.613 CB 1.135 32 residues pruned to eliminate duplicates Z: 11 8.746 1.664 0.760 0.489 0.700 0.500 CA 1.364 11 residues pruned to eliminate duplicates Z: 25 16.826 2.020 0.471 0.416 0.917 0.583 CA 1.376 27 residues pruned to eliminate duplicates Z: 6 4.038 1.591 0.292 0.558 0.800 0.800 CA 1.037 Z: 11 6.349 1.912 0.131 0.417 0.800 0.500 CB 1.265 11 residues pruned to eliminate duplicates Z: 9 4.379 1.558 0.292 0.495 0.750 0.500 N 1.030 Z: 13 9.057 1.711 0.685 0.448 0.833 0.667 CB 1.148 13 residues pruned to eliminate duplicates Z: 12 2.922 1.275 0.467 0.248 0.818 0.091 CB 0.769 Z: 18 23.776 2.084 0.468 0.925 1.000 0.882 CA 1.323 18 residues pruned to eliminate duplicates Z: 8 5.609 1.780 0.384 0.503 0.714 0.571 N 1.202 17 residues pruned to eliminate duplicates Z: 33 26.654 1.967 0.737 0.558 0.938 0.594 CB 1.390 33 residues pruned to eliminate duplicates Z: 23 17.982 1.827 0.671 0.507 0.909 0.682 CA 1.371 23 residues pruned to eliminate duplicates Z: 8 4.871 1.354 0.560 0.517 0.857 0.571 CB 1.000 8 residues pruned to eliminate duplicates Z: 23 15.801 1.813 0.404 0.582 0.864 0.545 CA 1.416 23 residues pruned to eliminate duplicates Z: 8 5.571 1.760 0.104 0.499 0.857 0.571 CA 1.266 8 residues pruned to eliminate duplicates Z: 7 5.735 1.632 0.664 0.410 1.000 1.000 CB 0.948 Z: 10 6.018 1.752 0.645 0.541 0.889 0.556 CB 0.752 Z: 13 7.155 1.830 0.462 0.401 0.750 0.333 CB 1.142 13 residues pruned to eliminate duplicates Z: 11 7.728 1.697 0.350 0.531 0.800 0.600 CA 1.292 13 residues pruned to eliminate duplicates Z: 8 2.971 1.365 0.150 0.456 0.714 0.571 O 1.048 Z: 9 3.177 1.291 0.592 0.247 0.875 0.250 CB 0.836 Z: 24 16.910 1.784 0.600 0.512 0.826 0.522 CB 1.478 24 residues pruned to eliminate duplicates Z: 6 7.551 1.574 0.501 0.538 1.000 0.400 CA 1.378 6 residues pruned to eliminate duplicates Z: 7 7.652 1.870 0.519 0.313 1.000 0.333 CA 1.353 7 residues pruned to eliminate duplicates Z: 11 7.427 1.900 0.268 0.512 0.800 0.500 CA 1.204 10 residues pruned to eliminate duplicates Z: 14 6.059 1.770 0.169 0.327 0.846 0.385 CB 1.161 14 residues pruned to eliminate duplicates Z: 18 10.858 1.809 0.566 0.460 0.882 0.588 CB 1.097 18 residues pruned to eliminate duplicates Z: 6 3.304 1.897 0.457 0.168 0.600 0.400 CA 1.334 6 residues pruned to eliminate duplicates Z: 26 22.367 2.055 0.762 0.506 0.920 0.720 CB 1.334 26 residues pruned to eliminate duplicates Z: 30 20.968 2.019 0.478 0.499 0.931 0.655 CB 1.403 30 residues pruned to eliminate duplicates Z: 40 32.976 2.028 0.673 0.692 0.949 0.641 CA 1.375 40 residues pruned to eliminate duplicates Z: 55 39.920 2.120 0.665 0.502 0.963 0.611 CB 1.595 55 residues pruned to eliminate duplicates Z: 23 5.606 1.649 0.598 0.241 0.636 0.318 CB 0.962 Z: 13 5.036 1.506 0.529 0.253 0.667 0.333 C 1.258 Z: 7 12.368 1.908 0.333 0.760 1.000 0.833 CB 1.575 7 residues pruned to eliminate duplicates Z: 9 8.474 1.785 0.275 0.766 0.875 0.875 CA 1.188 9 residues pruned to eliminate duplicates Z: 18 7.965 1.854 0.321 0.322 0.765 0.529 CA 1.255 18 residues pruned to eliminate duplicates Z: 9 13.729 1.917 0.348 0.905 1.000 1.000 CB 1.337 8 residues pruned to eliminate duplicates Z: 30 18.300 2.084 0.612 0.439 0.828 0.586 CB 1.302 30 residues pruned to eliminate duplicates Z: 6 4.735 1.457 0.273 0.671 0.800 0.800 CB 1.218 Z: 7 8.559 1.771 0.480 0.588 0.833 0.667 C 1.470 7 residues pruned to eliminate duplicates Z: 20 8.186 1.677 0.377 0.421 0.895 0.737 CA 0.986 24 residues pruned to eliminate duplicates 6 1.585 1.330 0.225 0.329 0.600 0.200 N 0.874 ? Z: 10 11.228 1.767 0.840 0.524 0.889 0.556 CA 1.265 11 residues pruned to eliminate duplicates Z: 11 8.612 1.859 0.462 0.423 0.900 0.700 CB 1.206 11 residues pruned to eliminate duplicates Z: 18 30.496 2.040 0.992 0.928 0.941 0.706 CB 1.354 18 residues pruned to eliminate duplicates Z: 16 10.669 1.780 0.766 0.392 0.867 0.600 CB 1.134 16 residues pruned to eliminate duplicates Z: 19 8.910 1.828 0.220 0.400 0.889 0.611 CB 1.178 19 residues pruned to eliminate duplicates Z: 23 10.452 1.885 0.377 0.318 0.818 0.409 CB 1.283 23 residues pruned to eliminate duplicates Z: 8 4.128 1.521 0.688 0.210 1.000 0.571 CA 0.856 8 residues pruned to eliminate duplicates Z: 12 8.576 1.924 0.503 0.338 0.818 0.636 CB 1.303 12 residues pruned to eliminate duplicates Z: 38 33.108 2.140 0.809 0.600 0.892 0.676 CB 1.432 38 residues pruned to eliminate duplicates Z: 6 4.135 1.468 0.561 0.293 1.000 0.800 CA 1.018 Z: 6 5.274 1.682 0.104 0.599 1.000 0.400 CA 1.157 Z: 14 14.015 1.691 0.668 0.818 1.000 0.692 CB 1.045 14 residues pruned to eliminate duplicates Z: 22 7.327 1.732 0.314 0.235 0.714 0.190 CB 1.338 22 residues pruned to eliminate duplicates Z: 15 9.168 1.739 0.595 0.407 0.857 0.571 CB 1.136 12 residues pruned to eliminate duplicates Z: 29 13.985 2.010 0.358 0.419 0.857 0.643 CB 1.230 29 residues pruned to eliminate duplicates Z: 14 8.704 1.891 0.190 0.520 0.923 0.692 CB 1.139 14 residues pruned to eliminate duplicates Z: 6 2.959 1.465 0.271 0.526 1.000 0.400 CB 0.693 6 residues pruned to eliminate duplicates Z: 12 7.094 1.732 0.642 0.367 0.909 0.545 CB 0.954 12 residues pruned to eliminate duplicates Z: 27 23.178 1.989 0.426 0.686 0.962 0.654 CB 1.406 27 residues pruned to eliminate duplicates Z: 10 9.847 1.586 0.215 0.809 1.000 0.889 O 1.301 10 residues pruned to eliminate duplicates Z: 8 3.718 1.437 0.407 0.353 0.714 0.714 N 1.141 8 residues pruned to eliminate duplicates Z: 9 8.715 1.782 0.590 0.505 0.875 0.625 CA 1.237 9 residues pruned to eliminate duplicates Z: 33 10.429 1.757 0.377 0.292 0.781 0.531 CB 1.232 39 residues pruned to eliminate duplicates Z: 36 12.232 2.034 0.388 0.315 0.657 0.457 CB 1.367 36 residues pruned to eliminate duplicates 6 1.203 1.513 -0.207 0.293 0.600 0.600 CA 0.943 ? Z: 14 14.637 1.841 0.713 0.504 0.923 0.692 CA 1.389 14 residues pruned to eliminate duplicates 8 1.973 1.414 0.143 0.533 0.714 0.571 CB 0.625 ? Z: 29 17.507 2.004 0.610 0.368 0.857 0.679 CB 1.377 29 residues pruned to eliminate duplicates Z: 7 2.588 1.372 0.506 0.351 0.833 0.333 CB 0.721 Z: 8 11.669 1.865 0.918 0.535 1.000 0.857 CA 1.191 8 residues pruned to eliminate duplicates Z: 6 3.491 1.543 0.250 0.296 0.800 0.800 O 1.272 6 residues pruned to eliminate duplicates Z: 7 4.473 1.546 0.479 0.396 0.833 0.333 CA 1.070 Z: 25 31.824 2.094 0.410 0.801 1.000 0.875 CA 1.692 25 residues pruned to eliminate duplicates Z: 19 31.476 2.066 0.956 0.944 1.000 0.722 CB 1.271 19 residues pruned to eliminate duplicates Z: 8 17.524 1.972 0.750 0.812 1.000 0.857 CA 1.463 8 residues pruned to eliminate duplicates Z: 7 10.273 1.963 0.617 0.684 0.833 0.667 CA 1.340 7 residues pruned to eliminate duplicates Z: 7 8.037 1.589 0.672 0.688 0.833 0.667 CA 1.248 7 residues pruned to eliminate duplicates Z: 7 2.735 1.632 0.335 0.259 0.833 0.500 CB 0.810 7 residues pruned to eliminate duplicates Z: 13 16.150 2.139 0.236 0.756 1.000 0.917 CB 1.404 13 residues pruned to eliminate duplicates Z: 10 6.128 1.364 0.682 0.451 0.889 0.444 N 1.052 Z: 34 14.273 2.017 0.328 0.337 0.879 0.545 CB 1.262 34 residues pruned to eliminate duplicates Z: 20 12.067 1.701 0.595 0.437 0.947 0.474 CB 1.149 20 residues pruned to eliminate duplicates Z: 9 11.728 1.815 0.175 0.884 1.000 0.375 CA 1.404 9 residues pruned to eliminate duplicates Z: 22 23.575 1.951 0.530 0.861 0.857 0.429 CB 1.477 22 residues pruned to eliminate duplicates Z: 9 11.452 1.776 0.823 0.830 0.750 0.125 CB 1.254 9 residues pruned to eliminate duplicates Z: 7 4.765 1.687 0.157 0.457 0.833 0.500 CB 1.249 Z: 7 4.900 1.540 0.505 0.530 1.000 0.667 CB 0.838 Z: 7 6.225 1.712 0.475 0.338 0.833 0.667 CB 1.441 7 residues pruned to eliminate duplicates Z: 8 8.794 1.823 0.411 0.472 1.000 0.714 CA 1.329 8 residues pruned to eliminate duplicates Z: 12 3.334 1.453 0.684 0.195 0.727 0.364 N 0.813 12 residues pruned to eliminate duplicates 7 1.513 1.352 0.537 0.240 0.667 0.500 CB 0.602 ? Z: 7 5.491 1.774 -0.044 0.649 1.000 0.667 CB 1.151 Z: 19 22.685 2.028 0.465 0.863 1.000 0.500 CA 1.320 19 residues pruned to eliminate duplicates Z: 27 17.834 2.043 0.633 0.399 0.808 0.462 CB 1.443 27 residues pruned to eliminate duplicates Z: 9 3.240 1.290 0.547 0.295 0.750 0.375 CA 0.962 Z: 8 9.005 1.563 0.973 0.551 0.857 0.714 C 1.226 8 residues pruned to eliminate duplicates Z: 9 3.160 1.597 -0.042 0.288 0.875 0.625 CA 1.060 9 residues pruned to eliminate duplicates 6 1.492 1.479 0.622 0.100 0.600 0.200 N 0.773 ? Z: 23 8.646 1.739 0.341 0.316 0.864 0.500 CB 1.122 23 residues pruned to eliminate duplicates Z: 6 4.468 1.452 0.469 0.618 1.000 0.600 CB 0.837 6 residues pruned to eliminate duplicates Z: 6 5.687 1.342 0.991 0.794 1.000 0.800 CB 0.735 6 residues pruned to eliminate duplicates Z: 8 8.198 1.642 0.766 0.619 0.857 0.429 N 1.114 7 residues pruned to eliminate duplicates Z: 9 3.458 1.625 0.355 0.311 0.875 0.500 CB 0.783 Z: 6 2.630 1.598 0.164 0.295 0.800 0.600 CB 0.994 6 residues pruned to eliminate duplicates Z: 38 15.045 1.974 0.423 0.297 0.784 0.432 CB 1.410 34 residues pruned to eliminate duplicates Z: 10 7.120 1.528 0.609 0.354 0.889 0.333 CB 1.271 10 residues pruned to eliminate duplicates 7 1.996 1.752 0.614 0.644 1.000 0.667 CB 0.252 ? Z: 9 3.086 1.142 0.488 0.401 0.750 0.625 O 0.950 Z: 16 8.552 1.809 0.214 0.406 0.800 0.667 N 1.388 16 residues pruned to eliminate duplicates Z: 6 2.070 1.522 0.350 0.422 0.800 0.400 CB 0.611 6 residues pruned to eliminate duplicates Z: 28 12.023 2.028 0.349 0.298 0.852 0.481 CB 1.245 28 residues pruned to eliminate duplicates Z: 6 4.163 1.575 0.374 0.306 0.800 0.400 C 1.334 Z: 9 6.471 1.769 0.473 0.320 0.875 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 28 11.915 1.653 0.652 0.357 0.852 0.667 CB 1.151 25 residues pruned to eliminate duplicates Z: 14 10.731 1.690 0.650 0.491 0.923 0.692 CA 1.167 14 residues pruned to eliminate duplicates Z: 6 2.441 1.255 0.043 0.435 1.000 0.400 CB 0.892 Z: 7 5.839 1.718 1.065 0.389 0.833 0.667 CB 0.907 Z: 13 9.950 1.927 0.306 0.509 0.917 0.583 CA 1.234 13 residues pruned to eliminate duplicates Z: 12 4.851 1.485 0.421 0.432 0.727 0.636 CB 1.023 Z: 9 4.557 1.401 0.147 0.632 0.875 0.750 CB 1.012 9 residues pruned to eliminate duplicates Z: 9 6.184 1.519 -0.023 0.835 1.000 0.625 CA 1.103 9 residues pruned to eliminate duplicates Z: 6 2.375 1.633 0.067 0.428 0.800 0.600 CA 0.821 6 residues pruned to eliminate duplicates Z: 9 2.517 1.412 0.109 0.298 1.000 0.750 CB 0.712 Z: 20 41.795 2.230 1.047 0.919 0.947 0.316 CB 1.562 20 residues pruned to eliminate duplicates Z: 9 5.502 1.496 0.102 0.613 1.000 0.875 CB 1.061 10 residues pruned to eliminate duplicates 6 1.899 1.591 -0.040 0.139 0.800 0.200 CB 1.088 ? Z: 8 3.023 1.342 0.342 0.394 0.857 0.286 CB 0.828 6 1.284 1.095 0.212 0.299 0.800 0.600 CB 0.677 ? Z: 15 13.162 2.099 0.703 0.317 0.929 0.571 CA 1.297 15 residues pruned to eliminate duplicates 9 1.816 1.425 0.102 0.271 0.625 0.250 CB 0.848 ? Z: 9 2.298 1.312 0.006 0.295 0.875 0.250 CB 0.885 Z: 6 2.323 1.703 0.544 0.197 0.800 0.400 CB 0.708 Z: 11 10.006 2.072 0.716 0.498 0.800 0.500 CA 1.114 11 residues pruned to eliminate duplicates Z: 16 12.570 1.639 0.800 0.485 0.933 0.733 CB 1.196 16 residues pruned to eliminate duplicates Z: 10 10.005 1.953 0.648 0.695 1.000 0.444 CA 0.867 10 residues pruned to eliminate duplicates Z: 23 10.254 1.969 0.758 0.303 0.727 0.500 CB 1.082 23 residues pruned to eliminate duplicates Z: 6 5.481 1.442 0.692 0.355 1.000 0.400 O 1.175 Z: 10 7.793 1.938 0.487 0.572 0.889 0.667 CB 0.946 10 residues pruned to eliminate duplicates Z: 8 2.098 1.395 0.630 0.335 0.571 0.429 CB 0.731 8 residues pruned to eliminate duplicates Z: 19 6.887 1.578 0.484 0.422 0.722 0.389 CA 1.041 19 residues pruned to eliminate duplicates Z: 9 11.576 1.812 0.230 0.846 1.000 0.750 CA 1.364 9 residues pruned to eliminate duplicates Z: 6 2.534 1.352 0.409 0.408 1.000 0.600 CB 0.655 Z: 6 2.561 1.321 0.325 0.626 0.800 0.800 CA 0.726 Z: 8 2.773 1.261 0.499 0.274 0.714 0.286 O 1.002 Z: 7 3.098 1.459 0.372 0.353 0.667 0.500 C 1.110 7 residues pruned to eliminate duplicates Z: 25 27.202 1.979 0.739 0.714 0.958 0.833 CB 1.387 25 residues pruned to eliminate duplicates Z: 7 6.926 1.671 0.425 0.404 1.000 0.667 CB 1.313 7 residues pruned to eliminate duplicates Z: 9 3.706 1.391 0.036 0.514 1.000 0.750 CB 0.897 7 residues pruned to eliminate duplicates Z: 9 10.109 1.898 0.851 0.264 0.875 0.625 CA 1.522 8 residues pruned to eliminate duplicates Z: 8 13.813 1.847 0.903 0.619 0.857 0.571 CA 1.548 Z: 10 10.926 1.857 0.335 0.612 1.000 0.667 CA 1.321 10 residues pruned to eliminate duplicates Z: 20 10.064 1.908 0.181 0.376 0.895 0.632 CB 1.308 20 residues pruned to eliminate duplicates Z: 7 2.111 1.435 0.443 0.303 0.500 0.500 N 1.037 7 residues pruned to eliminate duplicates 6 1.873 0.964 0.336 0.759 1.000 0.800 CB 0.516 ? Z: 23 12.016 1.988 0.557 0.361 0.818 0.545 CB 1.174 23 residues pruned to eliminate duplicates Z: 8 4.476 1.599 0.841 0.492 0.857 0.857 CA 0.676 6 1.303 1.456 0.108 0.253 0.600 0.000 CB 0.800 ? Z: 29 31.572 2.163 0.699 0.679 0.929 0.750 CB 1.483 29 residues pruned to eliminate duplicates Z: 6 5.555 1.294 0.450 0.699 1.000 0.800 CA 1.105 Z: 18 9.779 1.927 0.427 0.346 0.824 0.412 CB 1.237 18 residues pruned to eliminate duplicates Z: 10 6.964 1.953 0.423 0.402 0.778 0.333 CA 1.191 Z: 8 2.198 1.340 -0.453 0.526 1.000 0.714 C 1.105 Z: 20 20.300 2.064 0.875 0.435 0.895 0.632 CA 1.439 20 residues pruned to eliminate duplicates Z: 7 5.149 1.728 0.129 0.582 1.000 0.500 CB 0.996 7 residues pruned to eliminate duplicates Z: 19 13.224 1.917 0.412 0.420 0.889 0.500 CB 1.409 19 residues pruned to eliminate duplicates 6 1.166 1.263 0.269 0.297 0.600 0.400 N 0.680 ? Z: 17 15.854 1.800 0.873 0.569 0.938 0.312 CA 1.173 17 residues pruned to eliminate duplicates Z: 12 4.837 1.424 0.402 0.414 0.727 0.455 C 1.099 12 residues pruned to eliminate duplicates Z: 6 4.077 1.700 0.385 0.468 0.800 0.800 CB 1.000 Z: 12 3.706 1.778 0.093 0.323 0.727 0.455 CA 0.960 12 residues pruned to eliminate duplicates Z: 11 7.132 1.708 0.234 0.518 1.000 0.800 CB 1.051 11 residues pruned to eliminate duplicates Z: 7 5.122 1.572 0.012 0.683 0.833 0.333 O 1.334 7 residues pruned to eliminate duplicates 7 1.881 1.554 -0.043 0.187 0.833 0.167 CB 0.901 ? Z: 13 9.344 1.764 0.240 0.463 1.000 0.417 CB 1.280 13 residues pruned to eliminate duplicates Z: 7 8.998 1.975 0.687 0.304 1.000 0.500 CB 1.372 7 residues pruned to eliminate duplicates Z: 6 6.685 1.574 0.718 0.481 1.000 0.800 N 1.128 6 residues pruned to eliminate duplicates Z: 9 14.228 2.020 0.821 0.644 0.875 0.875 CA 1.366 9 residues pruned to eliminate duplicates Z: 8 9.994 1.675 0.720 0.794 1.000 1.000 CA 1.013 8 residues pruned to eliminate duplicates Z: 7 4.426 1.764 0.303 0.390 0.833 0.667 CA 1.060 7 residues pruned to eliminate duplicates Z: 15 6.641 1.523 0.426 0.393 0.786 0.357 CA 1.165 Z: 8 3.845 1.524 0.427 0.368 1.000 0.429 CB 0.770 8 residues pruned to eliminate duplicates Z: 11 11.183 1.732 0.729 0.622 0.900 0.700 CA 1.170 11 residues pruned to eliminate duplicates Z: 23 15.108 1.858 0.559 0.488 0.818 0.455 CB 1.376 23 residues pruned to eliminate duplicates Z: 7 4.038 1.410 0.352 0.507 0.833 0.500 N 1.030 Z: 6 2.938 1.477 0.981 0.287 0.600 0.600 CB 0.951 4 residues pruned to eliminate duplicates Z: 34 17.919 2.006 0.417 0.428 0.879 0.636 CB 1.346 34 residues pruned to eliminate duplicates Z: 10 11.088 1.917 0.382 0.650 0.889 0.778 CB 1.365 12 residues pruned to eliminate duplicates Z: 18 10.305 1.877 0.429 0.373 0.824 0.529 CA 1.297 18 residues pruned to eliminate duplicates Z: 10 9.150 1.829 0.562 0.548 0.889 0.778 CA 1.147 22 residues pruned to eliminate duplicates Z: 10 3.696 1.648 0.323 0.292 0.778 0.556 CB 0.917 10 residues pruned to eliminate duplicates Z: 9 2.629 1.637 0.082 0.199 0.750 0.500 CB 1.001 9 residues pruned to eliminate duplicates Z: 33 13.833 2.044 0.318 0.326 0.844 0.469 CB 1.302 33 residues pruned to eliminate duplicates Z: 11 13.269 1.859 0.410 0.879 1.000 0.700 CA 1.160 11 residues pruned to eliminate duplicates Z: 9 3.657 1.606 0.374 0.403 0.875 0.375 CB 0.742 Z: 12 32.244 2.143 1.104 0.832 1.000 0.636 CB 1.618 12 residues pruned to eliminate duplicates Z: 29 17.178 1.941 0.591 0.368 0.857 0.536 CB 1.413 29 residues pruned to eliminate duplicates Z: 22 17.779 2.006 0.669 0.524 0.810 0.476 CA 1.397 22 residues pruned to eliminate duplicates Z: 21 22.071 1.878 0.774 0.824 0.900 0.850 CB 1.244 21 residues pruned to eliminate duplicates Z: 12 8.246 1.832 0.560 0.445 0.818 0.364 CA 1.125 12 residues pruned to eliminate duplicates Z: 21 7.228 1.669 0.405 0.403 0.750 0.550 CA 1.018 21 residues pruned to eliminate duplicates Z: 10 3.761 1.612 0.168 0.281 0.667 0.444 CB 1.278 10 residues pruned to eliminate duplicates Z: 37 15.463 1.907 0.438 0.371 0.861 0.472 CB 1.253 37 residues pruned to eliminate duplicates Z: 6 2.943 1.258 0.384 0.436 1.000 0.800 CB 0.807 Z: 8 9.450 1.688 0.562 0.631 0.857 0.714 O 1.398 Z: 14 8.028 1.871 0.013 0.424 1.000 0.692 CB 1.271 14 residues pruned to eliminate duplicates Z: 8 4.104 1.578 0.867 0.431 1.000 0.571 CB 0.565 Z: 12 8.951 1.622 0.592 0.507 1.000 0.818 CB 1.039 10 residues pruned to eliminate duplicates Z: 6 3.825 1.491 0.278 0.373 0.800 0.600 O 1.285 Z: 29 17.125 1.987 0.526 0.383 0.750 0.429 CA 1.612 29 residues pruned to eliminate duplicates Z: 18 10.717 1.744 0.474 0.384 0.941 0.647 CB 1.216 18 residues pruned to eliminate duplicates Z: 21 14.638 1.836 0.646 0.419 0.950 0.650 CB 1.241 21 residues pruned to eliminate duplicates Z: 7 6.332 1.656 0.099 0.722 1.000 0.667 CB 1.162 9 residues pruned to eliminate duplicates Z: 6 2.894 1.234 0.309 0.447 1.000 0.400 N 0.846 Z: 7 4.130 1.413 0.535 0.406 0.833 0.500 C 1.028 Using tripeptides from previous cycle as seeds 7 1.849 1.340 0.197 0.300 0.667 0.500 N 0.882 ? 6 0.737 1.223 0.354 0.219 0.600 0.600 C 0.461 ? Z: 7 6.598 1.458 1.122 0.432 1.000 0.500 CA 0.934 13 residues pruned to eliminate duplicates Z: 6 3.876 1.477 0.295 0.407 1.000 0.400 CA 0.999 6 residues pruned to eliminate duplicates Z: 10 3.336 1.750 0.406 0.191 0.778 0.667 CB 0.841 10 residues pruned to eliminate duplicates Z: 15 9.207 1.858 0.643 0.278 0.786 0.500 N 1.318 17 residues pruned to eliminate duplicates 6 1.934 1.201 0.599 0.347 0.800 0.600 CB 0.665 ? Z: 6 4.902 1.411 0.704 0.382 1.000 0.400 N 1.034 6 residues pruned to eliminate duplicates Z: 13 7.247 1.914 0.465 0.386 0.750 0.250 CB 1.122 13 residues pruned to eliminate duplicates Z: 12 7.017 1.920 0.312 0.399 0.727 0.182 CB 1.284 12 residues pruned to eliminate duplicates Z: 19 7.385 1.728 0.301 0.339 0.833 0.444 CB 1.107 20 residues pruned to eliminate duplicates Z: 6 3.802 1.433 0.723 0.390 0.800 0.400 C 0.968 6 residues pruned to eliminate duplicates Z: 15 9.650 1.850 0.658 0.375 0.786 0.286 CB 1.223 14 residues pruned to eliminate duplicates Z: 6 6.826 1.896 0.617 0.536 0.800 0.800 CA 1.202 6 residues pruned to eliminate duplicates Z: 13 15.796 1.968 0.563 0.473 1.000 0.667 N 1.523 13 residues pruned to eliminate duplicates Z: 30 17.689 1.865 0.686 0.411 0.897 0.552 CA 1.280 30 residues pruned to eliminate duplicates Z: 20 18.292 1.908 0.853 0.477 0.947 0.526 CB 1.283 20 residues pruned to eliminate duplicates Z: 6 6.896 2.072 0.480 0.326 0.800 0.400 CA 1.522 6 residues pruned to eliminate duplicates Z: 18 16.711 1.905 0.747 0.474 0.941 0.647 CB 1.328 18 residues pruned to eliminate duplicates Z: 7 4.014 1.605 0.183 0.367 0.833 0.500 CA 1.194 7 residues pruned to eliminate duplicates Z: 15 16.283 1.961 0.689 0.453 0.929 0.571 CB 1.484 15 residues pruned to eliminate duplicates Z: 19 19.224 1.931 0.862 0.502 0.944 0.556 CA 1.332 19 residues pruned to eliminate duplicates Z: 19 16.018 1.856 0.815 0.417 0.889 0.722 CB 1.375 19 residues pruned to eliminate duplicates Z: 18 17.519 1.904 0.837 0.476 0.941 0.765 CB 1.322 18 residues pruned to eliminate duplicates Z: 31 20.255 1.875 0.694 0.450 0.933 0.800 CB 1.313 31 residues pruned to eliminate duplicates Z: 32 21.712 1.903 0.660 0.505 0.935 0.613 CB 1.314 41 residues pruned to eliminate duplicates Z: 6 3.215 1.389 0.901 0.293 0.800 0.600 CA 0.858 6 residues pruned to eliminate duplicates Z: 33 19.357 1.849 0.733 0.483 0.875 0.625 CB 1.242 33 residues pruned to eliminate duplicates Z: 18 13.558 1.820 0.662 0.541 0.941 0.706 CA 1.109 18 residues pruned to eliminate duplicates Z: 31 19.524 1.869 0.602 0.503 0.933 0.533 CB 1.272 31 residues pruned to eliminate duplicates Z: 31 21.346 1.893 0.712 0.507 0.933 0.667 CB 1.280 31 residues pruned to eliminate duplicates Z: 18 10.610 1.813 0.685 0.443 0.824 0.647 CB 1.085 18 residues pruned to eliminate duplicates Z: 11 14.644 1.907 0.684 0.625 1.000 0.800 CA 1.282 11 residues pruned to eliminate duplicates Z: 12 15.529 2.015 0.587 0.761 0.818 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 13 10.281 1.730 0.286 0.742 1.000 0.750 CB 1.074 13 residues pruned to eliminate duplicates Z: 14 15.704 1.893 0.618 0.621 0.846 0.692 CB 1.500 14 residues pruned to eliminate duplicates Z: 13 11.949 1.790 0.589 0.706 0.833 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 16 11.770 1.864 0.417 0.593 0.800 0.600 CB 1.316 16 residues pruned to eliminate duplicates Z: 13 10.366 1.794 0.515 0.654 0.833 0.750 CB 1.144 13 residues pruned to eliminate duplicates Z: 44 24.256 1.926 0.483 0.502 0.907 0.558 CA 1.425 44 residues pruned to eliminate duplicates Z: 23 15.637 1.719 0.673 0.590 0.773 0.364 CB 1.377 23 residues pruned to eliminate duplicates Z: 23 18.959 1.839 0.737 0.578 0.864 0.500 CB 1.360 23 residues pruned to eliminate duplicates Z: 46 29.985 1.956 0.666 0.524 0.933 0.689 CB 1.435 46 residues pruned to eliminate duplicates Z: 37 25.336 1.963 0.585 0.484 0.944 0.500 CB 1.460 37 residues pruned to eliminate duplicates Z: 33 23.600 2.001 0.764 0.416 0.906 0.594 CA 1.425 33 residues pruned to eliminate duplicates Z: 51 35.710 2.015 0.818 0.609 0.900 0.460 CB 1.381 51 residues pruned to eliminate duplicates Z: 17 14.640 1.890 0.986 0.420 0.812 0.375 CB 1.305 17 residues pruned to eliminate duplicates Z: 10 7.047 1.939 0.804 0.254 0.667 0.333 CA 1.336 Z: 28 18.752 2.009 0.555 0.452 0.889 0.630 CB 1.365 28 residues pruned to eliminate duplicates Z: 36 31.823 2.065 0.595 0.662 0.914 0.686 CB 1.537 36 residues pruned to eliminate duplicates Z: 29 34.847 2.162 0.606 0.701 0.964 0.929 CB 1.638 46 residues pruned to eliminate duplicates Z: 20 20.991 2.098 0.345 0.779 0.895 0.632 CB 1.491 20 residues pruned to eliminate duplicates Z: 35 27.854 1.983 0.650 0.651 0.912 0.588 CB 1.391 35 residues pruned to eliminate duplicates Z: 31 32.907 2.095 0.793 0.671 0.900 0.633 CB 1.518 31 residues pruned to eliminate duplicates Z: 28 40.947 2.153 0.941 0.727 0.963 0.704 CA 1.596 28 residues pruned to eliminate duplicates Z: 25 34.025 2.130 0.788 0.771 0.958 0.583 CB 1.497 25 residues pruned to eliminate duplicates Z: 26 33.305 2.166 0.751 0.698 0.960 0.600 CB 1.527 26 residues pruned to eliminate duplicates Z: 25 33.398 2.158 0.747 0.749 0.958 0.750 CB 1.510 25 residues pruned to eliminate duplicates Z: 34 32.720 2.007 0.753 0.694 0.879 0.606 CB 1.543 34 residues pruned to eliminate duplicates Z: 35 30.302 2.040 0.734 0.670 0.882 0.588 CB 1.423 35 residues pruned to eliminate duplicates Z: 28 30.723 2.064 0.784 0.677 0.926 0.556 CB 1.474 28 residues pruned to eliminate duplicates Z: 27 31.351 2.100 0.861 0.719 0.962 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 33 27.735 2.038 0.719 0.666 0.875 0.531 CB 1.372 33 residues pruned to eliminate duplicates Z: 30 32.122 2.128 0.729 0.735 0.897 0.552 CB 1.464 30 residues pruned to eliminate duplicates Z: 29 29.426 2.058 0.859 0.705 0.929 0.536 CB 1.300 29 residues pruned to eliminate duplicates Z: 28 34.249 2.144 0.773 0.734 0.926 0.556 CB 1.518 28 residues pruned to eliminate duplicates Z: 38 32.657 2.001 0.838 0.648 0.892 0.568 CB 1.426 38 residues pruned to eliminate duplicates Z: 30 35.199 2.114 0.832 0.695 0.966 0.552 CB 1.463 30 residues pruned to eliminate duplicates Z: 47 33.583 1.979 0.723 0.662 0.891 0.565 CB 1.402 47 residues pruned to eliminate duplicates Z: 38 29.218 2.018 0.895 0.595 0.811 0.568 CB 1.415 38 residues pruned to eliminate duplicates Z: 13 8.901 1.939 0.347 0.692 0.667 0.000 CB 1.238 13 residues pruned to eliminate duplicates Z: 13 7.221 1.689 0.394 0.377 0.833 0.583 CB 1.211 13 residues pruned to eliminate duplicates Z: 11 6.137 1.727 0.403 0.269 0.800 0.500 CB 1.302 11 residues pruned to eliminate duplicates Z: 72 46.614 2.011 0.789 0.619 0.930 0.634 CB 1.479 72 residues pruned to eliminate duplicates Z: 42 34.975 2.043 0.718 0.746 0.927 0.488 CB 1.347 47 residues pruned to eliminate duplicates Z: 11 15.047 1.702 0.605 0.840 1.000 0.800 CA 1.300 11 residues pruned to eliminate duplicates Z: 47 42.080 2.038 0.891 0.706 0.935 0.717 CB 1.429 45 residues pruned to eliminate duplicates Z: 12 13.348 1.668 0.362 0.850 1.000 0.727 CB 1.312 12 residues pruned to eliminate duplicates Z: 27 17.425 2.002 0.605 0.408 0.885 0.500 CA 1.325 27 residues pruned to eliminate duplicates Z: 76 42.008 1.957 0.772 0.564 0.947 0.573 CA 1.389 76 residues pruned to eliminate duplicates Z: 33 23.234 2.004 0.767 0.421 0.906 0.469 CA 1.389 33 residues pruned to eliminate duplicates Z: 20 14.063 2.046 0.673 0.296 0.842 0.526 CB 1.405 20 residues pruned to eliminate duplicates Z: 23 15.890 1.977 0.682 0.363 0.909 0.500 CB 1.298 23 residues pruned to eliminate duplicates Z: 72 47.899 2.038 0.794 0.599 0.944 0.521 CB 1.499 72 residues pruned to eliminate duplicates Z: 46 27.680 1.968 0.667 0.462 0.911 0.400 CB 1.436 46 residues pruned to eliminate duplicates Z: 29 18.622 2.007 0.568 0.419 0.857 0.571 CA 1.420 29 residues pruned to eliminate duplicates Z: 34 26.013 1.971 0.852 0.509 0.879 0.485 CB 1.399 34 residues pruned to eliminate duplicates Z: 43 27.990 1.929 0.796 0.460 0.929 0.405 CA 1.398 43 residues pruned to eliminate duplicates Z: 14 20.247 2.002 0.724 0.505 1.000 0.692 CB 1.618 Z: 9 13.747 1.826 0.575 0.773 1.000 0.500 CA 1.328 9 residues pruned to eliminate duplicates Z: 28 24.367 2.059 0.789 0.401 0.889 0.593 CB 1.590 42 residues pruned to eliminate duplicates Z: 26 24.845 1.936 0.707 0.575 0.960 0.520 CA 1.456 26 residues pruned to eliminate duplicates Z: 15 16.731 1.895 0.689 0.481 0.929 0.429 CB 1.534 Z: 11 14.139 1.814 0.589 0.628 1.000 0.300 CA 1.375 12 residues pruned to eliminate duplicates Z: 10 15.134 1.925 0.437 0.615 1.000 0.111 CB 1.635 10 residues pruned to eliminate duplicates Z: 9 6.229 1.751 0.348 0.534 0.750 0.625 CA 1.204 9 residues pruned to eliminate duplicates Z: 9 6.057 1.818 0.342 0.465 0.750 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 7 11.841 1.947 0.384 0.618 1.000 0.833 CB 1.605 7 residues pruned to eliminate duplicates Z: 7 7.774 1.872 0.624 0.569 0.833 0.500 CB 1.171 7 residues pruned to eliminate duplicates Z: 7 7.912 1.907 0.596 0.578 0.833 0.333 CB 1.181 8 residues pruned to eliminate duplicates Z: 7 7.415 1.783 0.789 0.848 0.667 0.500 CA 1.056 6 residues pruned to eliminate duplicates Z: 7 7.831 1.879 0.802 0.558 1.000 0.667 CB 0.893 7 residues pruned to eliminate duplicates Z: 10 8.375 1.885 0.683 0.355 0.889 0.556 CB 1.158 6 residues pruned to eliminate duplicates Z: 6 3.167 1.402 0.248 0.346 1.000 0.600 C 0.957 6 residues pruned to eliminate duplicates Z: 11 11.513 1.956 0.320 0.563 0.900 0.600 CB 1.474 11 residues pruned to eliminate duplicates Z: 12 11.808 1.916 0.469 0.511 0.909 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 12 10.942 1.889 0.401 0.550 0.909 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 34 17.869 1.943 0.523 0.377 0.909 0.697 CB 1.318 34 residues pruned to eliminate duplicates Z: 35 17.163 1.891 0.616 0.369 0.853 0.618 CB 1.299 35 residues pruned to eliminate duplicates Z: 10 8.079 1.866 0.442 0.424 0.889 0.556 CB 1.218 10 residues pruned to eliminate duplicates Z: 6 3.475 1.982 0.037 0.347 0.800 0.200 CB 1.117 6 residues pruned to eliminate duplicates Z: 35 16.485 1.893 0.581 0.376 0.882 0.676 CB 1.223 35 residues pruned to eliminate duplicates Z: 23 14.960 2.021 0.469 0.429 0.909 0.636 CB 1.272 23 residues pruned to eliminate duplicates Z: 25 16.007 1.932 0.588 0.428 0.917 0.583 CB 1.251 25 residues pruned to eliminate duplicates Z: 25 14.441 1.928 0.628 0.388 0.833 0.583 CB 1.269 25 residues pruned to eliminate duplicates Z: 25 14.288 1.980 0.498 0.374 0.833 0.583 CB 1.350 25 residues pruned to eliminate duplicates Z: 24 14.502 1.987 0.460 0.404 0.870 0.565 CB 1.325 24 residues pruned to eliminate duplicates Z: 23 17.066 2.033 0.521 0.399 0.955 0.682 CB 1.371 23 residues pruned to eliminate duplicates Z: 34 16.996 1.941 0.574 0.372 0.909 0.697 CB 1.222 34 residues pruned to eliminate duplicates Z: 23 15.709 2.003 0.603 0.369 0.909 0.545 CB 1.320 23 residues pruned to eliminate duplicates Z: 24 13.173 2.001 0.459 0.354 0.870 0.565 CB 1.267 24 residues pruned to eliminate duplicates Z: 24 15.459 1.984 0.604 0.379 0.913 0.739 CB 1.262 24 residues pruned to eliminate duplicates Z: 24 14.467 2.004 0.477 0.367 0.913 0.522 CB 1.287 24 residues pruned to eliminate duplicates Z: 22 15.374 2.069 0.502 0.370 0.905 0.571 CB 1.372 22 residues pruned to eliminate duplicates Z: 31 17.127 1.957 0.638 0.365 0.867 0.533 CB 1.302 31 residues pruned to eliminate duplicates Z: 35 16.584 1.916 0.672 0.336 0.853 0.500 CB 1.245 35 residues pruned to eliminate duplicates Z: 26 13.762 1.955 0.507 0.293 0.880 0.480 CB 1.338 26 residues pruned to eliminate duplicates Z: 27 14.458 1.924 0.589 0.287 0.846 0.500 CB 1.392 27 residues pruned to eliminate duplicates Z: 24 14.440 1.981 0.609 0.345 0.870 0.652 CB 1.286 24 residues pruned to eliminate duplicates Z: 24 15.642 1.993 0.596 0.361 0.870 0.652 CB 1.370 24 residues pruned to eliminate duplicates Z: 10 6.902 1.897 0.631 0.307 0.889 0.667 CB 1.037 10 residues pruned to eliminate duplicates Z: 27 11.665 1.918 0.502 0.277 0.846 0.577 CB 1.208 27 residues pruned to eliminate duplicates Z: 23 15.190 1.964 0.645 0.401 0.864 0.545 CB 1.288 23 residues pruned to eliminate duplicates Z: 6 2.403 1.329 0.497 0.272 0.800 0.200 CA 0.874 Z: 6 6.012 1.756 0.711 0.657 0.800 0.400 CA 0.966 Z: 7 4.961 1.521 0.713 0.669 0.833 0.667 CA 0.798 7 residues pruned to eliminate duplicates Z: 11 6.224 1.777 0.544 0.529 0.700 0.500 CA 0.996 15 residues pruned to eliminate duplicates Z: 7 3.068 1.462 0.758 0.472 0.667 0.667 CA 0.752 7 residues pruned to eliminate duplicates Z: 9 4.140 1.572 0.684 0.402 0.625 0.250 CA 0.981 9 residues pruned to eliminate duplicates Z: 11 7.264 1.815 0.460 0.450 0.800 0.500 CA 1.141 10 residues pruned to eliminate duplicates Z: 7 3.767 1.740 0.491 0.527 0.667 0.500 CA 0.865 7 residues pruned to eliminate duplicates Z: 10 8.731 1.942 0.516 0.240 0.889 0.333 CA 1.502 10 residues pruned to eliminate duplicates Z: 6 2.966 1.581 0.205 0.290 0.800 0.600 CB 1.101 6 residues pruned to eliminate duplicates Z: 42 34.420 2.025 0.569 0.700 1.000 0.707 CA 1.410 42 residues pruned to eliminate duplicates Z: 36 28.611 2.016 0.507 0.606 0.971 0.743 CA 1.481 36 residues pruned to eliminate duplicates Z: 42 34.257 2.051 0.548 0.701 0.976 0.732 CA 1.438 42 residues pruned to eliminate duplicates Z: 41 28.080 2.011 0.620 0.615 0.900 0.700 CA 1.359 41 residues pruned to eliminate duplicates Z: 39 30.938 2.003 0.703 0.615 0.947 0.579 CB 1.393 39 residues pruned to eliminate duplicates Z: 30 31.614 2.045 0.681 0.711 1.000 0.586 CA 1.410 30 residues pruned to eliminate duplicates Z: 36 32.685 2.044 0.803 0.592 0.943 0.714 CA 1.456 36 residues pruned to eliminate duplicates Z: 47 32.339 2.019 0.706 0.510 0.891 0.565 CA 1.538 48 residues pruned to eliminate duplicates Z: 19 23.166 2.083 0.589 0.855 0.944 0.667 CA 1.289 19 residues pruned to eliminate duplicates Z: 28 25.225 2.046 0.551 0.672 0.963 0.630 CA 1.356 28 residues pruned to eliminate duplicates Z: 34 31.174 2.071 0.580 0.656 0.970 0.667 CA 1.480 34 residues pruned to eliminate duplicates Z: 42 37.554 2.053 0.691 0.713 0.976 0.659 CA 1.428 42 residues pruned to eliminate duplicates Z: 25 29.569 2.104 0.715 0.734 1.000 0.667 CA 1.355 25 residues pruned to eliminate duplicates Z: 33 29.896 2.027 0.678 0.652 0.938 0.594 CA 1.439 33 residues pruned to eliminate duplicates Z: 35 31.878 2.001 0.720 0.752 0.971 0.765 CA 1.308 35 residues pruned to eliminate duplicates Z: 42 36.568 2.027 0.732 0.690 0.951 0.780 CA 1.438 42 residues pruned to eliminate duplicates Z: 28 28.739 2.042 0.778 0.674 0.963 0.741 CA 1.347 28 residues pruned to eliminate duplicates Z: 42 38.096 2.037 0.746 0.694 0.976 0.585 CA 1.436 42 residues pruned to eliminate duplicates Z: 42 34.269 2.018 0.744 0.628 0.976 0.610 CA 1.382 42 residues pruned to eliminate duplicates Z: 73 38.716 2.056 0.590 0.557 0.889 0.597 CA 1.485 73 residues pruned to eliminate duplicates Z: 49 38.617 2.047 0.792 0.649 0.917 0.625 CA 1.442 49 residues pruned to eliminate duplicates Z: 42 35.492 2.059 0.792 0.658 0.902 0.585 CA 1.437 42 residues pruned to eliminate duplicates Z: 41 39.331 2.068 0.764 0.703 0.975 0.650 CA 1.454 41 residues pruned to eliminate duplicates Z: 34 30.913 2.075 0.666 0.657 0.970 0.818 CA 1.387 34 residues pruned to eliminate duplicates Z: 74 43.844 2.035 0.701 0.549 0.932 0.616 CA 1.517 74 residues pruned to eliminate duplicates Z: 35 33.144 2.053 0.832 0.651 0.941 0.647 CA 1.396 35 residues pruned to eliminate duplicates Z: 41 37.013 2.078 0.633 0.726 0.975 0.700 CA 1.443 41 residues pruned to eliminate duplicates Z: 38 34.974 2.003 0.818 0.709 0.946 0.730 CA 1.381 38 residues pruned to eliminate duplicates Z: 35 35.248 2.047 0.851 0.698 0.941 0.529 CA 1.415 35 residues pruned to eliminate duplicates Z: 45 36.208 1.999 0.834 0.660 0.909 0.523 CA 1.412 45 residues pruned to eliminate duplicates Z: 63 41.476 2.017 0.646 0.603 0.984 0.694 CA 1.462 63 residues pruned to eliminate duplicates Z: 72 38.088 2.002 0.681 0.532 0.887 0.577 CA 1.467 72 residues pruned to eliminate duplicates Z: 40 33.403 2.071 0.678 0.652 0.949 0.692 CA 1.408 40 residues pruned to eliminate duplicates Z: 41 31.385 2.030 0.649 0.662 0.900 0.550 CA 1.418 41 residues pruned to eliminate duplicates Z: 48 43.681 2.053 0.882 0.690 0.957 0.511 CA 1.447 48 residues pruned to eliminate duplicates Z: 66 36.406 2.020 0.657 0.584 0.862 0.477 CA 1.445 66 residues pruned to eliminate duplicates Z: 49 35.683 2.014 0.777 0.663 0.896 0.562 CA 1.381 49 residues pruned to eliminate duplicates Z: 20 16.556 1.900 0.659 0.598 0.789 0.316 CA 1.391 20 residues pruned to eliminate duplicates Z: 63 36.670 2.009 0.650 0.567 0.871 0.452 CA 1.513 63 residues pruned to eliminate duplicates Z: 8 10.639 1.997 0.880 0.368 0.857 0.143 CA 1.440 8 residues pruned to eliminate duplicates Z: 32 20.350 2.005 0.561 0.360 0.871 0.548 CA 1.559 32 residues pruned to eliminate duplicates Z: 9 12.045 1.826 1.064 0.326 0.875 0.375 CA 1.563 9 residues pruned to eliminate duplicates Z: 9 11.878 1.816 0.774 0.451 0.875 0.250 CB 1.566 9 residues pruned to eliminate duplicates Z: 33 24.491 1.991 0.697 0.386 0.938 0.406 CA 1.542 33 residues pruned to eliminate duplicates Z: 35 23.881 1.960 0.716 0.408 0.882 0.500 CB 1.521 35 residues pruned to eliminate duplicates Z: 28 15.805 1.938 0.494 0.363 0.852 0.407 CA 1.429 28 residues pruned to eliminate duplicates Z: 24 20.609 2.087 0.495 0.439 0.913 0.609 CA 1.606 24 residues pruned to eliminate duplicates Z: 26 17.938 2.001 0.589 0.410 0.800 0.440 CA 1.550 26 residues pruned to eliminate duplicates Z: 28 15.043 1.954 0.574 0.258 0.815 0.444 CA 1.523 28 residues pruned to eliminate duplicates Z: 21 15.920 2.020 0.391 0.490 0.850 0.550 CB 1.505 21 residues pruned to eliminate duplicates Z: 30 17.750 1.997 0.522 0.385 0.828 0.414 CA 1.480 30 residues pruned to eliminate duplicates Z: 27 15.187 1.930 0.454 0.371 0.808 0.423 CA 1.509 27 residues pruned to eliminate duplicates Z: 31 15.377 1.937 0.577 0.297 0.767 0.533 CA 1.504 31 residues pruned to eliminate duplicates Z: 26 16.972 2.056 0.557 0.332 0.800 0.480 CA 1.593 20 residues pruned to eliminate duplicates Z: 10 12.252 1.724 0.611 0.775 1.000 0.556 CA 1.154 10 residues pruned to eliminate duplicates Z: 26 18.619 1.964 0.586 0.411 0.840 0.440 CB 1.562 25 residues pruned to eliminate duplicates Z: 10 14.159 1.724 0.714 0.770 1.000 0.556 CA 1.258 12 residues pruned to eliminate duplicates Z: 11 14.364 1.726 0.822 0.748 1.000 0.400 CA 1.158 11 residues pruned to eliminate duplicates Z: 24 17.382 2.034 0.486 0.462 0.870 0.478 CA 1.434 22 residues pruned to eliminate duplicates Z: 12 12.931 1.842 0.678 0.688 0.909 0.545 CA 1.168 12 residues pruned to eliminate duplicates Z: 19 9.791 1.789 0.692 0.282 0.833 0.278 CB 1.170 19 residues pruned to eliminate duplicates Z: 16 13.409 1.944 0.612 0.460 0.933 0.600 CB 1.233 16 residues pruned to eliminate duplicates Z: 31 13.232 1.932 0.451 0.285 0.867 0.500 CB 1.266 31 residues pruned to eliminate duplicates Z: 29 19.208 2.074 0.581 0.412 0.857 0.464 CB 1.416 38 residues pruned to eliminate duplicates Z: 8 6.866 1.849 0.672 0.580 1.000 0.571 CB 0.777 8 residues pruned to eliminate duplicates Z: 33 19.204 2.029 0.615 0.388 0.875 0.500 CB 1.334 10 residues pruned to eliminate duplicates Z: 7 6.689 1.980 0.396 0.378 0.833 0.667 CA 1.351 7 residues pruned to eliminate duplicates Z: 34 16.360 2.050 0.439 0.333 0.848 0.455 CB 1.366 32 residues pruned to eliminate duplicates Z: 7 3.475 1.737 0.506 0.395 0.833 0.333 CB 0.727 Z: 6 4.345 1.742 0.734 0.388 0.800 0.800 CA 0.906 Z: 6 3.688 1.669 0.084 0.423 1.000 0.800 CB 0.988 Z: 30 16.887 2.052 0.443 0.437 0.931 0.552 CB 1.213 43 residues pruned to eliminate duplicates Z: 7 2.883 1.515 0.373 0.299 0.833 0.500 CA 0.850 Z: 6 3.922 1.815 0.412 0.448 0.800 0.800 CA 0.902 6 residues pruned to eliminate duplicates Z: 7 7.803 1.825 0.514 0.536 1.000 1.000 CA 1.114 7 residues pruned to eliminate duplicates Z: 6 5.219 1.493 0.411 0.494 1.000 0.600 CA 1.115 Z: 6 3.915 1.763 0.234 0.322 1.000 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 26 14.255 1.898 0.433 0.495 0.960 0.600 CB 1.098 34 residues pruned to eliminate duplicates Z: 7 3.378 1.551 0.448 0.446 0.833 0.833 CA 0.779 7 residues pruned to eliminate duplicates Z: 16 6.304 1.662 0.213 0.281 0.933 0.600 CB 1.107 16 residues pruned to eliminate duplicates Z: 16 9.733 1.811 0.460 0.428 1.000 0.667 CB 1.025 16 residues pruned to eliminate duplicates Z: 15 5.847 1.601 0.463 0.256 0.786 0.286 CB 1.123 11 residues pruned to eliminate duplicates 6 1.245 1.128 0.430 0.273 0.600 0.600 CA 0.744 ? Z: 7 3.947 1.579 0.168 0.470 1.000 0.500 CA 0.901 7 residues pruned to eliminate duplicates 6 1.403 1.316 0.599 0.180 0.600 0.400 C 0.730 ? Z: 7 6.283 1.491 0.516 0.469 1.000 1.000 O 1.172 7 residues pruned to eliminate duplicates Z: 32 15.066 2.032 0.338 0.446 0.871 0.710 CB 1.208 32 residues pruned to eliminate duplicates Z: 21 15.613 2.023 0.460 0.406 0.900 0.600 CB 1.449 21 residues pruned to eliminate duplicates Z: 37 20.009 2.017 0.464 0.464 0.917 0.639 CB 1.279 37 residues pruned to eliminate duplicates Z: 38 20.637 1.994 0.556 0.435 0.892 0.595 CB 1.312 38 residues pruned to eliminate duplicates Z: 35 19.471 2.038 0.456 0.457 0.882 0.588 CB 1.333 35 residues pruned to eliminate duplicates Z: 38 19.394 1.962 0.574 0.445 0.919 0.568 CB 1.189 38 residues pruned to eliminate duplicates Z: 43 18.840 1.873 0.648 0.427 0.857 0.595 CB 1.185 43 residues pruned to eliminate duplicates Z: 7 7.693 1.571 0.649 0.459 1.000 0.667 CA 1.264 Z: 6 5.877 1.767 0.721 0.271 1.000 0.600 CA 1.121 Z: 32 23.432 2.105 0.565 0.517 0.935 0.677 CB 1.343 32 residues pruned to eliminate duplicates Z: 36 19.523 2.026 0.559 0.453 0.857 0.657 CB 1.279 36 residues pruned to eliminate duplicates Z: 27 19.337 2.014 0.581 0.483 0.923 0.538 CA 1.313 33 residues pruned to eliminate duplicates Z: 34 20.810 2.026 0.528 0.489 0.909 0.576 CB 1.301 34 residues pruned to eliminate duplicates Z: 29 18.293 1.981 0.540 0.494 0.929 0.607 CB 1.227 29 residues pruned to eliminate duplicates Z: 42 18.613 1.922 0.453 0.449 0.902 0.512 CB 1.216 42 residues pruned to eliminate duplicates Z: 29 18.901 1.985 0.552 0.475 0.929 0.500 CB 1.281 27 residues pruned to eliminate duplicates 6 1.536 1.455 0.434 0.371 0.800 0.400 CA 0.472 ? Z: 6 8.627 1.825 1.041 0.385 1.000 1.000 CB 1.170 6 residues pruned to eliminate duplicates Z: 12 10.997 2.094 0.518 0.418 0.909 0.545 CB 1.251 12 residues pruned to eliminate duplicates Z: 13 6.650 1.936 0.507 0.354 0.833 0.750 CB 0.925 13 residues pruned to eliminate duplicates Z: 13 8.867 2.010 0.664 0.388 0.750 0.583 CB 1.150 13 residues pruned to eliminate duplicates Z: 14 7.877 1.928 0.422 0.313 0.846 0.615 CB 1.158 14 residues pruned to eliminate duplicates Z: 13 10.885 2.020 0.714 0.324 0.833 0.583 CB 1.321 13 residues pruned to eliminate duplicates Z: 14 10.306 1.923 0.524 0.348 0.846 0.615 CB 1.360 14 residues pruned to eliminate duplicates Z: 12 7.194 1.959 0.350 0.382 0.909 0.636 CB 1.023 12 residues pruned to eliminate duplicates Z: 24 13.222 1.871 0.271 0.407 0.957 0.696 CB 1.337 24 residues pruned to eliminate duplicates Z: 6 3.713 1.638 0.436 0.353 0.600 0.400 N 1.380 6 residues pruned to eliminate duplicates Z: 23 11.841 1.852 0.213 0.425 0.955 0.591 CB 1.273 23 residues pruned to eliminate duplicates Z: 23 8.189 1.844 0.158 0.332 0.818 0.545 CB 1.202 23 residues pruned to eliminate duplicates Z: 12 5.899 1.864 0.389 0.300 0.727 0.636 CB 1.180 12 residues pruned to eliminate duplicates Z: 18 9.502 1.903 0.179 0.348 0.882 0.706 CA 1.373 18 residues pruned to eliminate duplicates Z: 26 8.991 1.736 0.187 0.304 0.880 0.440 CB 1.233 26 residues pruned to eliminate duplicates Z: 22 10.444 1.778 0.255 0.356 0.952 0.476 CB 1.253 22 residues pruned to eliminate duplicates Z: 22 10.173 1.838 0.286 0.350 0.857 0.571 CA 1.290 22 residues pruned to eliminate duplicates Z: 22 10.282 1.827 0.277 0.355 0.952 0.619 CA 1.181 22 residues pruned to eliminate duplicates Z: 21 10.263 1.897 0.271 0.340 0.850 0.550 CB 1.334 21 residues pruned to eliminate duplicates Z: 23 11.468 1.856 0.209 0.344 1.000 0.545 CB 1.290 23 residues pruned to eliminate duplicates Z: 20 9.905 1.825 0.299 0.350 0.947 0.579 CB 1.190 20 residues pruned to eliminate duplicates Z: 20 11.598 1.949 0.184 0.331 1.000 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 22 10.741 1.818 0.341 0.354 0.905 0.476 CB 1.245 22 residues pruned to eliminate duplicates Z: 20 11.260 1.905 0.302 0.352 0.895 0.526 CB 1.367 20 residues pruned to eliminate duplicates Z: 17 9.386 1.861 0.211 0.386 0.938 0.562 CA 1.253 17 residues pruned to eliminate duplicates Z: 19 9.717 1.951 0.213 0.286 0.889 0.611 CB 1.385 19 residues pruned to eliminate duplicates Z: 26 11.822 1.962 0.547 0.304 0.760 0.560 CB 1.274 26 residues pruned to eliminate duplicates Z: 8 5.485 1.821 0.477 0.334 0.714 0.429 CA 1.294 8 residues pruned to eliminate duplicates Z: 6 3.516 1.904 0.458 0.252 0.600 0.400 CA 1.256 6 residues pruned to eliminate duplicates Z: 9 2.065 1.876 0.195 0.376 0.500 0.500 CB 0.743 9 residues pruned to eliminate duplicates Z: 15 8.303 1.845 0.546 0.308 0.786 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 11 5.505 1.952 0.598 0.301 0.600 0.500 CB 1.161 11 residues pruned to eliminate duplicates Z: 27 13.512 1.915 0.429 0.353 0.885 0.462 CB 1.283 27 residues pruned to eliminate duplicates Z: 36 10.744 1.837 0.326 0.279 0.800 0.400 CB 1.197 36 residues pruned to eliminate duplicates Z: 6 4.392 1.892 0.292 0.189 1.000 0.200 N 1.167 6 residues pruned to eliminate duplicates Z: 13 7.342 1.962 0.497 0.415 0.667 0.417 CB 1.183 13 residues pruned to eliminate duplicates Z: 11 5.558 1.943 0.441 0.315 0.700 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 19 13.110 1.877 0.632 0.443 0.833 0.500 CA 1.283 19 residues pruned to eliminate duplicates Z: 11 7.955 1.926 0.570 0.360 0.800 0.300 CB 1.209 11 residues pruned to eliminate duplicates Z: 20 10.867 1.788 0.455 0.416 0.895 0.526 CB 1.169 20 residues pruned to eliminate duplicates Z: 19 8.071 1.883 0.443 0.332 0.722 0.278 CB 1.165 19 residues pruned to eliminate duplicates Z: 28 13.311 1.918 0.465 0.388 0.815 0.481 CB 1.259 28 residues pruned to eliminate duplicates Z: 12 13.147 2.050 0.525 0.520 0.909 0.727 CA 1.367 12 residues pruned to eliminate duplicates Z: 13 15.376 2.003 0.624 0.525 0.917 0.750 CA 1.451 13 residues pruned to eliminate duplicates Z: 12 10.313 2.053 0.305 0.454 0.909 0.545 CA 1.337 12 residues pruned to eliminate duplicates Z: 12 13.646 2.063 0.608 0.501 0.909 0.727 CA 1.363 12 residues pruned to eliminate duplicates Z: 13 11.312 1.955 0.551 0.536 0.833 0.583 CA 1.248 13 residues pruned to eliminate duplicates Z: 14 13.912 1.967 0.587 0.527 0.923 0.615 CA 1.304 14 residues pruned to eliminate duplicates Z: 15 10.020 1.924 0.315 0.536 0.929 0.500 CA 1.101 15 residues pruned to eliminate duplicates Z: 17 10.511 1.840 0.555 0.390 0.750 0.500 CB 1.377 17 residues pruned to eliminate duplicates Z: 14 13.424 1.977 0.535 0.490 0.923 0.462 CA 1.342 14 residues pruned to eliminate duplicates Z: 13 10.747 1.718 0.427 0.523 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 6 4.067 1.318 0.461 0.432 1.000 0.600 CA 1.014 6 residues pruned to eliminate duplicates Z: 17 15.463 1.973 0.677 0.478 0.875 0.625 CB 1.366 19 residues pruned to eliminate duplicates Z: 6 4.221 1.513 0.882 0.366 0.800 0.400 CB 0.957 6 residues pruned to eliminate duplicates Z: 24 13.865 1.822 0.381 0.428 0.913 0.522 CA 1.355 24 residues pruned to eliminate duplicates Z: 9 6.784 1.905 0.836 0.243 0.750 0.500 CA 1.231 9 residues pruned to eliminate duplicates Z: 35 16.870 1.889 0.551 0.391 0.882 0.559 CB 1.256 35 residues pruned to eliminate duplicates Z: 22 13.661 1.827 0.527 0.377 0.952 0.476 CB 1.279 22 residues pruned to eliminate duplicates Z: 25 10.908 1.811 0.510 0.270 0.917 0.417 CB 1.153 25 residues pruned to eliminate duplicates Z: 25 11.734 1.920 0.564 0.374 0.875 0.583 CB 1.043 25 residues pruned to eliminate duplicates Z: 20 11.427 1.893 0.480 0.336 0.947 0.474 CB 1.181 20 residues pruned to eliminate duplicates Z: 24 9.948 1.793 0.451 0.300 1.000 0.435 CB 0.997 24 residues pruned to eliminate duplicates Z: 15 11.047 1.883 0.439 0.416 0.929 0.571 CB 1.281 15 residues pruned to eliminate duplicates Z: 29 14.917 2.026 0.329 0.452 0.857 0.607 CB 1.283 29 residues pruned to eliminate duplicates Z: 35 14.955 2.016 0.367 0.353 0.882 0.559 CB 1.237 35 residues pruned to eliminate duplicates Z: 16 11.256 1.889 0.529 0.379 0.933 0.467 CB 1.226 16 residues pruned to eliminate duplicates Z: 14 6.802 1.922 0.457 0.280 0.769 0.615 CB 1.123 14 residues pruned to eliminate duplicates Z: 23 12.383 1.839 0.754 0.300 0.864 0.455 CB 1.184 23 residues pruned to eliminate duplicates Z: 11 4.731 1.923 0.331 0.136 0.700 0.200 CB 1.314 11 residues pruned to eliminate duplicates Z: 31 15.196 2.020 0.443 0.355 0.867 0.433 CB 1.283 31 residues pruned to eliminate duplicates Z: 22 12.906 2.117 0.351 0.417 0.810 0.381 CB 1.326 22 residues pruned to eliminate duplicates Z: 28 10.872 2.030 0.385 0.317 0.815 0.481 CB 1.118 28 residues pruned to eliminate duplicates Z: 28 13.506 2.053 0.215 0.398 0.889 0.333 CB 1.305 28 residues pruned to eliminate duplicates Z: 29 13.031 2.026 0.364 0.363 0.857 0.429 CB 1.205 29 residues pruned to eliminate duplicates Z: 52 18.398 2.021 0.630 0.303 0.745 0.412 CB 1.307 66 residues pruned to eliminate duplicates Z: 7 4.347 1.500 0.539 0.342 0.833 0.333 O 1.096 7 residues pruned to eliminate duplicates Z: 25 11.393 2.050 0.522 0.326 0.792 0.500 CB 1.141 25 residues pruned to eliminate duplicates Z: 19 10.485 1.927 0.428 0.331 0.778 0.333 CB 1.390 19 residues pruned to eliminate duplicates Z: 26 10.823 2.055 0.375 0.261 0.760 0.400 CB 1.324 26 residues pruned to eliminate duplicates Z: 35 17.323 2.026 0.433 0.368 0.941 0.618 CB 1.251 35 residues pruned to eliminate duplicates Z: 31 15.821 1.990 0.473 0.414 0.933 0.433 CB 1.155 31 residues pruned to eliminate duplicates Z: 25 14.390 2.122 0.462 0.307 0.917 0.375 CB 1.281 25 residues pruned to eliminate duplicates Z: 11 9.845 2.240 0.288 0.329 0.900 0.700 CB 1.446 11 residues pruned to eliminate duplicates Z: 36 15.323 1.989 0.399 0.330 0.857 0.314 CB 1.308 36 residues pruned to eliminate duplicates Z: 29 17.046 2.044 0.537 0.374 0.857 0.464 CB 1.368 29 residues pruned to eliminate duplicates Z: 34 15.585 1.996 0.489 0.341 0.818 0.455 CB 1.326 34 residues pruned to eliminate duplicates Z: 28 11.409 2.027 0.475 0.306 0.778 0.407 CB 1.171 28 residues pruned to eliminate duplicates Z: 33 17.962 1.975 0.576 0.412 0.938 0.531 CB 1.194 33 residues pruned to eliminate duplicates Z: 13 13.644 2.201 0.496 0.391 0.917 0.500 CB 1.465 13 residues pruned to eliminate duplicates Z: 56 20.207 2.015 0.458 0.338 0.873 0.473 CB 1.268 56 residues pruned to eliminate duplicates Z: 31 15.196 2.085 0.417 0.333 0.833 0.500 CB 1.354 31 residues pruned to eliminate duplicates Z: 29 12.320 1.934 0.567 0.244 0.750 0.286 CB 1.378 29 residues pruned to eliminate duplicates Z: 41 14.919 1.957 0.560 0.257 0.775 0.350 CB 1.317 41 residues pruned to eliminate duplicates Z: 11 6.621 1.914 0.730 0.197 0.700 0.100 CA 1.296 11 residues pruned to eliminate duplicates Z: 15 8.057 2.066 0.721 0.159 0.643 0.286 CA 1.428 15 residues pruned to eliminate duplicates Z: 11 7.800 2.075 0.487 0.156 0.900 0.200 CB 1.354 11 residues pruned to eliminate duplicates Z: 10 8.055 2.056 0.554 0.201 0.889 0.222 CA 1.350 10 residues pruned to eliminate duplicates Z: 17 15.376 2.019 0.671 0.325 0.938 0.562 CA 1.473 22 residues pruned to eliminate duplicates Z: 7 5.446 1.698 0.578 0.399 1.000 0.500 CB 0.923 7 residues pruned to eliminate duplicates Z: 18 13.165 1.983 0.372 0.440 0.824 0.529 CB 1.516 18 residues pruned to eliminate duplicates Z: 10 10.480 2.089 1.045 0.217 0.778 0.556 CA 1.467 8 residues pruned to eliminate duplicates Z: 8 5.765 1.696 0.709 0.348 0.714 0.571 CA 1.241 8 residues pruned to eliminate duplicates Z: 17 5.213 1.609 0.420 0.191 0.750 0.250 CB 1.101 7 residues pruned to eliminate duplicates Z: 10 7.565 1.927 0.779 0.427 0.667 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 7 2.894 1.584 0.169 0.215 0.667 0.000 CB 1.339 Z: 6 2.550 1.366 0.997 0.375 0.800 0.600 N 0.598 6 residues pruned to eliminate duplicates Z: 45 26.547 1.959 0.518 0.635 0.886 0.727 CB 1.339 58 residues pruned to eliminate duplicates Z: 30 32.887 2.045 0.643 0.730 1.000 0.862 CB 1.477 30 residues pruned to eliminate duplicates Z: 25 26.739 2.193 0.491 0.615 0.958 0.750 CB 1.562 25 residues pruned to eliminate duplicates Z: 26 25.131 2.079 0.238 0.737 1.000 0.880 CA 1.579 26 residues pruned to eliminate duplicates Z: 30 32.957 2.071 0.545 0.735 1.000 0.793 CB 1.548 30 residues pruned to eliminate duplicates Z: 29 30.624 2.059 0.515 0.681 0.964 0.786 CA 1.630 29 residues pruned to eliminate duplicates Z: 30 31.481 2.035 0.598 0.758 0.966 0.828 CB 1.480 30 residues pruned to eliminate duplicates Z: 57 32.929 2.035 0.638 0.484 0.911 0.607 CA 1.473 45 residues pruned to eliminate duplicates Z: 19 23.377 2.046 0.379 0.915 1.000 0.944 CB 1.381 19 residues pruned to eliminate duplicates Z: 53 35.671 2.104 0.683 0.513 0.904 0.577 CB 1.525 53 residues pruned to eliminate duplicates Z: 28 33.362 2.071 0.574 0.781 1.000 0.852 CB 1.538 28 residues pruned to eliminate duplicates Z: 23 31.347 2.217 0.479 0.713 0.955 0.682 CA 1.761 23 residues pruned to eliminate duplicates Z: 57 34.098 2.032 0.761 0.475 0.893 0.589 CA 1.463 57 residues pruned to eliminate duplicates Z: 29 28.664 2.110 0.658 0.666 0.893 0.679 CB 1.488 29 residues pruned to eliminate duplicates Z: 28 26.707 2.030 0.566 0.692 0.889 0.704 CB 1.525 28 residues pruned to eliminate duplicates Z: 39 29.192 1.975 0.694 0.621 0.895 0.658 CB 1.411 39 residues pruned to eliminate duplicates Z: 24 30.286 1.987 0.812 0.750 0.957 0.696 CB 1.466 24 residues pruned to eliminate duplicates Z: 23 38.087 2.237 0.818 0.705 0.955 0.591 CA 1.736 23 residues pruned to eliminate duplicates Z: 35 27.601 2.039 0.701 0.531 0.941 0.588 CA 1.406 35 residues pruned to eliminate duplicates Z: 55 40.275 2.157 0.756 0.495 0.926 0.481 CA 1.570 55 residues pruned to eliminate duplicates Z: 72 33.994 2.125 0.627 0.375 0.859 0.479 CA 1.552 72 residues pruned to eliminate duplicates Z: 31 25.077 2.152 0.650 0.408 0.967 0.567 CA 1.469 31 residues pruned to eliminate duplicates Z: 41 29.577 2.093 0.752 0.459 0.900 0.350 CB 1.478 41 residues pruned to eliminate duplicates Z: 19 16.363 2.072 0.694 0.358 0.944 0.556 CB 1.356 19 residues pruned to eliminate duplicates Z: 57 37.370 2.139 0.590 0.491 0.946 0.589 CA 1.565 57 residues pruned to eliminate duplicates Z: 30 22.697 2.114 0.553 0.403 0.931 0.655 CB 1.526 30 residues pruned to eliminate duplicates Z: 54 36.565 2.150 0.711 0.486 0.868 0.453 CB 1.595 54 residues pruned to eliminate duplicates Z: 31 25.279 2.147 0.647 0.400 0.967 0.500 CB 1.501 31 residues pruned to eliminate duplicates Z: 31 22.965 2.154 0.606 0.369 0.933 0.467 CA 1.494 31 residues pruned to eliminate duplicates Z: 31 22.026 2.157 0.595 0.391 0.900 0.533 CB 1.458 31 residues pruned to eliminate duplicates Z: 7 6.434 1.924 0.318 0.415 0.833 0.500 CB 1.358 7 residues pruned to eliminate duplicates Z: 29 21.263 2.173 0.614 0.385 0.893 0.464 CB 1.450 29 residues pruned to eliminate duplicates Z: 30 21.542 2.162 0.566 0.378 1.000 0.483 CB 1.346 30 residues pruned to eliminate duplicates Z: 31 23.952 2.167 0.642 0.370 0.967 0.567 CB 1.461 31 residues pruned to eliminate duplicates Z: 32 25.553 2.117 0.733 0.387 0.935 0.484 CB 1.508 32 residues pruned to eliminate duplicates 6 1.904 1.512 0.703 0.546 0.600 0.400 CA 0.527 ? Z: 6 6.393 1.461 1.517 0.430 1.000 0.400 C 0.836 6 residues pruned to eliminate duplicates Z: 27 23.341 2.175 0.804 0.422 0.885 0.462 CB 1.431 27 residues pruned to eliminate duplicates Z: 29 25.543 2.151 0.762 0.408 0.929 0.536 CB 1.510 29 residues pruned to eliminate duplicates Z: 54 41.092 2.150 0.831 0.463 0.943 0.547 CA 1.578 56 residues pruned to eliminate duplicates Z: 9 9.943 2.028 -0.006 0.667 1.000 0.875 CB 1.494 8 residues pruned to eliminate duplicates Z: 9 10.581 1.915 0.221 0.664 1.000 0.750 CA 1.375 9 residues pruned to eliminate duplicates Z: 53 41.809 2.190 0.790 0.479 0.923 0.615 CA 1.637 53 residues pruned to eliminate duplicates Z: 32 23.060 2.104 0.822 0.345 0.871 0.452 CA 1.468 32 residues pruned to eliminate duplicates Z: 21 21.595 2.075 0.715 0.467 0.900 0.550 CA 1.559 20 residues pruned to eliminate duplicates Z: 12 11.501 1.667 0.340 0.757 0.909 0.727 CA 1.357 12 residues pruned to eliminate duplicates Z: 14 14.617 1.917 0.548 0.612 0.846 0.538 CB 1.452 14 residues pruned to eliminate duplicates Z: 31 18.240 2.080 0.596 0.394 0.833 0.367 CB 1.346 31 residues pruned to eliminate duplicates Z: 7 7.538 1.630 0.928 0.508 1.000 0.833 CA 0.971 7 residues pruned to eliminate duplicates Z: 13 11.771 1.950 0.710 0.446 0.833 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 6 3.754 1.586 0.936 0.406 1.000 0.400 CA 0.603 6 residues pruned to eliminate duplicates Z: 12 10.744 1.984 0.664 0.407 0.818 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 14 8.496 1.811 0.611 0.383 0.769 0.615 CB 1.190 14 residues pruned to eliminate duplicates Z: 12 12.161 1.945 0.616 0.503 0.909 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 33 15.232 2.027 0.683 0.343 0.781 0.531 CB 1.199 33 residues pruned to eliminate duplicates Z: 25 12.633 2.009 0.742 0.311 0.792 0.542 CB 1.148 25 residues pruned to eliminate duplicates Z: 6 2.580 1.662 -0.110 0.472 1.000 0.600 CB 0.803 6 residues pruned to eliminate duplicates Z: 22 11.747 2.002 0.582 0.286 0.857 0.381 CB 1.201 22 residues pruned to eliminate duplicates Z: 24 12.102 1.984 0.602 0.283 0.783 0.478 CB 1.297 24 residues pruned to eliminate duplicates Z: 34 14.946 1.997 0.663 0.356 0.788 0.606 CB 1.161 34 residues pruned to eliminate duplicates Z: 17 11.384 2.108 0.568 0.335 0.812 0.438 CB 1.269 17 residues pruned to eliminate duplicates Z: 34 16.160 1.960 0.655 0.373 0.879 0.515 CB 1.130 34 residues pruned to eliminate duplicates Z: 19 11.365 2.036 0.545 0.342 0.833 0.444 CB 1.214 19 residues pruned to eliminate duplicates Z: 18 10.169 1.967 0.726 0.372 0.706 0.647 CB 1.180 18 residues pruned to eliminate duplicates Z: 20 12.057 2.036 0.656 0.329 0.842 0.579 CB 1.175 20 residues pruned to eliminate duplicates Z: 20 13.274 2.072 0.683 0.309 0.895 0.526 CB 1.206 20 residues pruned to eliminate duplicates Z: 9 13.852 2.094 0.626 0.629 0.875 0.750 CB 1.456 9 residues pruned to eliminate duplicates Z: 25 9.914 1.957 0.662 0.295 0.750 0.458 CB 1.044 25 residues pruned to eliminate duplicates Z: 10 12.143 2.031 0.587 0.522 0.889 0.778 CA 1.383 10 residues pruned to eliminate duplicates Z: 10 14.378 2.063 0.530 0.548 1.000 0.556 CB 1.449 10 residues pruned to eliminate duplicates Z: 33 15.107 1.972 0.643 0.401 0.812 0.469 CB 1.126 33 residues pruned to eliminate duplicates Z: 19 12.461 2.047 0.664 0.333 0.889 0.556 CB 1.164 19 residues pruned to eliminate duplicates Z: 20 11.425 2.095 0.607 0.303 0.789 0.526 CB 1.228 20 residues pruned to eliminate duplicates Z: 19 7.203 1.767 0.633 0.327 0.667 0.389 CB 1.067 19 residues pruned to eliminate duplicates Z: 10 13.472 1.949 0.730 0.702 1.000 0.889 CB 1.108 17 residues pruned to eliminate duplicates Z: 6 4.323 1.651 0.355 0.321 1.000 0.400 CA 1.052 6 residues pruned to eliminate duplicates Z: 15 15.755 2.116 0.634 0.447 0.929 0.571 CA 1.385 16 residues pruned to eliminate duplicates Z: 15 17.589 2.144 0.624 0.481 0.929 0.500 CB 1.481 15 residues pruned to eliminate duplicates Z: 15 12.910 2.070 0.420 0.389 0.929 0.429 CA 1.423 15 residues pruned to eliminate duplicates Z: 36 26.107 2.053 0.646 0.526 0.914 0.629 CB 1.392 36 residues pruned to eliminate duplicates Z: 38 29.201 2.100 0.646 0.512 0.973 0.514 CB 1.410 38 residues pruned to eliminate duplicates Z: 44 32.360 2.059 0.682 0.539 0.977 0.581 CB 1.404 44 residues pruned to eliminate duplicates Z: 11 11.328 1.994 0.140 0.863 1.000 0.600 CB 1.156 11 residues pruned to eliminate duplicates Z: 35 26.708 2.130 0.707 0.516 0.941 0.500 CB 1.317 35 residues pruned to eliminate duplicates Z: 41 26.568 2.122 0.543 0.562 0.900 0.600 CB 1.343 41 residues pruned to eliminate duplicates Z: 17 18.820 2.168 0.523 0.544 0.938 0.500 CB 1.455 17 residues pruned to eliminate duplicates Z: 18 14.946 2.191 0.863 0.301 0.765 0.353 CB 1.449 18 residues pruned to eliminate duplicates Z: 26 17.258 2.081 0.823 0.330 0.840 0.400 CB 1.305 26 residues pruned to eliminate duplicates Z: 34 28.829 2.095 0.742 0.512 0.939 0.576 CB 1.446 34 residues pruned to eliminate duplicates Z: 27 21.067 2.090 0.972 0.382 0.885 0.577 CB 1.284 27 residues pruned to eliminate duplicates Z: 33 29.383 2.086 0.787 0.561 1.000 0.562 CB 1.313 33 residues pruned to eliminate duplicates Z: 42 30.819 2.106 0.837 0.504 0.878 0.512 CB 1.411 42 residues pruned to eliminate duplicates Z: 37 27.691 2.075 0.695 0.522 0.944 0.611 CB 1.359 37 residues pruned to eliminate duplicates Z: 22 22.631 2.124 0.919 0.486 0.905 0.619 CB 1.358 22 residues pruned to eliminate duplicates Z: 32 25.521 2.165 0.758 0.475 0.903 0.613 CB 1.368 32 residues pruned to eliminate duplicates Z: 27 15.753 2.053 0.774 0.301 0.808 0.538 CB 1.311 27 residues pruned to eliminate duplicates Z: 43 31.475 2.093 0.719 0.524 0.952 0.643 CB 1.384 43 residues pruned to eliminate duplicates Z: 24 22.057 2.077 0.774 0.450 0.913 0.435 CB 1.440 24 residues pruned to eliminate duplicates Z: 34 27.010 2.146 0.659 0.488 0.939 0.545 CB 1.423 34 residues pruned to eliminate duplicates Z: 34 24.149 2.064 0.906 0.511 0.848 0.576 CB 1.245 34 residues pruned to eliminate duplicates Z: 17 11.599 2.037 0.767 0.307 0.750 0.438 CB 1.331 17 residues pruned to eliminate duplicates Z: 31 26.949 2.185 0.649 0.526 0.967 0.533 CB 1.377 31 residues pruned to eliminate duplicates Z: 32 30.199 2.192 0.781 0.517 0.935 0.613 CB 1.461 32 residues pruned to eliminate duplicates Z: 57 34.549 2.136 0.717 0.455 0.911 0.518 CB 1.447 34 residues pruned to eliminate duplicates Z: 22 46.069 2.324 0.819 0.880 1.000 0.762 CB 1.723 22 residues pruned to eliminate duplicates Z: 42 37.357 2.139 0.626 0.669 0.951 0.756 CA 1.509 42 residues pruned to eliminate duplicates Z: 72 48.271 2.181 0.711 0.571 0.958 0.620 CB 1.497 72 residues pruned to eliminate duplicates Z: 34 41.909 2.215 0.742 0.674 1.000 0.667 CB 1.610 34 residues pruned to eliminate duplicates Z: 43 38.188 2.166 0.700 0.655 0.905 0.690 CB 1.532 43 residues pruned to eliminate duplicates Z: 36 36.103 2.197 0.668 0.637 0.943 0.657 CB 1.552 36 residues pruned to eliminate duplicates Z: 62 45.351 2.188 0.746 0.566 0.934 0.639 CB 1.527 62 residues pruned to eliminate duplicates Z: 46 35.600 2.072 0.840 0.578 0.911 0.578 CB 1.417 46 residues pruned to eliminate duplicates Z: 42 38.157 2.196 0.634 0.664 0.951 0.732 CB 1.499 42 residues pruned to eliminate duplicates Z: 54 43.680 2.205 0.774 0.587 0.962 0.566 CB 1.467 54 residues pruned to eliminate duplicates Z: 33 29.286 2.084 0.901 0.619 0.875 0.500 CB 1.334 33 residues pruned to eliminate duplicates Z: 32 43.217 2.250 0.775 0.717 1.000 0.645 CB 1.597 32 residues pruned to eliminate duplicates Z: 38 37.844 2.125 0.829 0.638 0.946 0.649 CB 1.487 38 residues pruned to eliminate duplicates Z: 33 44.496 2.220 0.889 0.689 0.969 0.625 CB 1.628 33 residues pruned to eliminate duplicates Z: 66 49.773 2.181 0.867 0.585 0.954 0.585 CB 1.465 66 residues pruned to eliminate duplicates Z: 34 42.039 2.223 0.885 0.686 0.970 0.545 CB 1.518 34 residues pruned to eliminate duplicates Z: 55 47.527 2.229 0.925 0.605 0.944 0.611 CB 1.445 55 residues pruned to eliminate duplicates Z: 45 41.376 2.138 0.883 0.633 0.932 0.659 CB 1.468 45 residues pruned to eliminate duplicates Z: 37 37.541 2.095 0.942 0.620 0.972 0.444 CB 1.412 37 residues pruned to eliminate duplicates Z: 35 44.376 2.194 0.959 0.666 0.971 0.500 CB 1.565 35 residues pruned to eliminate duplicates Z: 37 38.226 2.178 0.823 0.616 0.917 0.528 CB 1.570 37 residues pruned to eliminate duplicates Z: 36 39.090 2.191 0.924 0.639 0.914 0.543 CB 1.505 36 residues pruned to eliminate duplicates Z: 64 46.691 2.182 0.873 0.576 0.937 0.556 CB 1.428 64 residues pruned to eliminate duplicates Z: 73 53.313 2.178 0.861 0.587 0.931 0.528 CB 1.532 73 residues pruned to eliminate duplicates Z: 64 48.002 2.187 0.830 0.590 0.937 0.587 CB 1.481 64 residues pruned to eliminate duplicates Z: 46 41.098 2.125 0.742 0.631 0.956 0.600 CB 1.531 46 residues pruned to eliminate duplicates Z: 43 29.157 2.098 0.789 0.491 0.905 0.524 CB 1.337 43 residues pruned to eliminate duplicates Z: 42 26.526 2.090 0.784 0.441 0.878 0.463 CB 1.345 42 residues pruned to eliminate duplicates Z: 14 14.380 1.969 0.630 0.530 0.846 0.538 CA 1.425 14 residues pruned to eliminate duplicates Z: 22 17.395 2.054 0.804 0.415 0.810 0.381 CB 1.382 22 residues pruned to eliminate duplicates Z: 43 30.786 2.104 0.811 0.531 0.881 0.548 CB 1.373 43 residues pruned to eliminate duplicates Z: 21 24.352 2.115 0.889 0.502 0.950 0.600 CB 1.432 21 residues pruned to eliminate duplicates 704 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 8 D: 6 E: 13 F: 7 G: 14 H: 12 I: 21 J: 32 K: 64 L: 9 M: 7 N: 8 O: 11 P: 33 Q: 59 R: 13 S: 29 T: 6 U: 27 V: 15 W: 46 X: 68 Y: 46 Z: 7 Z: 32 Z: 16 Z: 61 Z: 8 Z: 13 CC for partial structure against native data = 27.27 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.300, Contrast = 0.388, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.448, Connect. = 0.714 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.765 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6425 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1322 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 11.454 2.033 0.427 0.782 1.000 0.875 CB 1.089 B: 21 25.239 1.952 0.694 0.927 1.000 1.000 CB 1.197 C: 22 32.325 2.214 0.425 0.869 1.000 0.857 CB 1.634 D: 23 19.514 2.137 0.761 0.278 1.000 0.455 CA 1.421 E: 21 39.090 2.269 0.680 0.907 1.000 0.900 CB 1.629 21 residues pruned to eliminate duplicates F: 38 23.664 2.003 0.865 0.450 0.865 0.514 CB 1.267 G: 10 14.029 1.916 0.686 0.862 1.000 0.778 CB 1.063 H: 22 39.753 2.267 0.594 0.917 1.000 0.952 CA 1.694 22 residues pruned to eliminate duplicates I: 17 24.925 2.097 0.503 0.898 1.000 0.812 CB 1.414 17 residues pruned to eliminate duplicates J: 11 6.456 1.780 0.242 0.422 0.900 0.600 CB 1.112 K: 10 10.459 1.919 0.155 0.877 1.000 0.889 CB 1.142 10 residues pruned to eliminate duplicates L: 20 37.161 2.304 0.642 0.911 1.000 0.842 CB 1.597 20 residues pruned to eliminate duplicates M: 18 27.949 2.103 0.701 0.921 1.000 0.882 CB 1.333 21 residues pruned to eliminate duplicates N: 20 50.063 2.379 0.949 0.939 1.000 0.842 CB 1.721 22 residues pruned to eliminate duplicates O: 6 11.501 1.927 0.287 0.834 1.000 0.800 CA 1.556 P: 12 17.459 2.041 0.637 0.607 1.000 0.636 CB 1.423 Q: 21 50.515 2.362 0.931 0.930 1.000 0.650 CB 1.732 20 residues pruned to eliminate duplicates R: 22 36.101 2.232 0.507 0.912 1.000 0.905 CB 1.658 21 residues pruned to eliminate duplicates S: 19 23.161 2.072 0.534 0.915 0.944 0.833 CA 1.286 T: 21 45.995 2.370 0.694 0.938 1.000 0.900 CB 1.781 22 residues pruned to eliminate duplicates U: 21 36.934 2.268 0.616 0.925 0.950 0.900 CB 1.664 21 residues pruned to eliminate duplicates V: 17 15.384 2.032 0.526 0.455 0.875 0.562 CB 1.484 11 residues pruned to eliminate duplicates W: 7 8.371 1.792 -0.088 0.857 1.000 0.667 C 1.542 5 residues pruned to eliminate duplicates X: 21 37.086 2.309 0.505 0.918 1.000 0.900 CB 1.684 21 residues pruned to eliminate duplicates Y: 6 6.247 1.777 0.016 0.810 0.800 0.600 N 1.477 6 residues pruned to eliminate duplicates Z: 37 21.912 2.027 0.618 0.530 0.917 0.583 CB 1.179 37 residues pruned to eliminate duplicates Z: 45 33.504 1.957 0.704 0.617 0.886 0.682 CA 1.529 27 residues pruned to eliminate duplicates Z: 16 28.461 2.166 0.591 0.931 1.000 0.600 CB 1.491 Z: 10 14.111 1.978 0.636 0.526 1.000 0.667 CA 1.416 Z: 19 30.464 2.029 0.970 0.906 0.889 0.556 CA 1.437 19 residues pruned to eliminate duplicates Z: 17 30.951 2.159 0.540 0.930 1.000 0.812 CB 1.628 17 residues pruned to eliminate duplicates Z: 13 23.393 2.006 0.483 0.883 1.000 0.917 CB 1.641 13 residues pruned to eliminate duplicates Z: 8 13.691 1.835 0.391 0.844 1.000 0.571 CA 1.509 8 residues pruned to eliminate duplicates Z: 21 44.390 2.349 0.739 0.924 1.000 0.900 CB 1.707 21 residues pruned to eliminate duplicates Z: 14 9.113 2.092 0.158 0.420 0.769 0.615 CB 1.475 Z: 11 13.730 1.877 0.714 0.875 1.000 0.700 CB 0.982 10 residues pruned to eliminate duplicates Z: 17 34.149 2.118 0.955 0.942 1.000 0.812 CA 1.429 17 residues pruned to eliminate duplicates Z: 22 28.108 1.944 0.485 0.916 1.000 0.952 CB 1.501 17 residues pruned to eliminate duplicates Z: 22 47.022 2.285 0.928 0.932 1.000 0.619 CB 1.626 21 residues pruned to eliminate duplicates Z: 35 15.352 1.897 0.519 0.329 0.853 0.559 CB 1.293 Z: 9 9.792 1.974 0.656 0.522 0.875 0.625 CB 1.184 Z: 30 21.517 1.998 0.692 0.410 0.897 0.483 CB 1.449 Z: 12 15.813 1.825 0.650 0.845 1.000 0.909 CB 1.177 11 residues pruned to eliminate duplicates Z: 35 23.945 2.060 0.848 0.418 0.882 0.500 CB 1.331 38 residues pruned to eliminate duplicates Z: 17 28.119 2.124 0.468 0.931 1.000 0.812 CB 1.575 17 residues pruned to eliminate duplicates Z: 20 23.192 2.010 0.499 0.841 0.947 0.789 CB 1.390 20 residues pruned to eliminate duplicates Z: 16 34.806 2.101 0.973 0.931 0.933 0.600 CB 1.623 21 residues pruned to eliminate duplicates Z: 7 11.726 1.765 0.485 0.819 1.000 0.833 CA 1.385 8 residues pruned to eliminate duplicates Z: 23 14.437 2.061 0.765 0.330 0.727 0.409 CB 1.402 20 residues pruned to eliminate duplicates Z: 7 5.852 1.859 0.006 0.866 0.833 0.500 CB 1.123 Z: 22 11.249 1.852 0.219 0.395 0.952 0.619 CB 1.274 Z: 10 13.225 1.938 0.771 0.660 0.889 0.556 CB 1.246 8 residues pruned to eliminate duplicates Z: 20 51.232 2.330 0.985 0.950 1.000 0.474 CB 1.752 22 residues pruned to eliminate duplicates Z: 19 29.968 2.112 0.744 0.920 0.944 0.833 CA 1.430 19 residues pruned to eliminate duplicates Z: 19 29.408 2.010 0.477 0.933 1.000 0.889 CB 1.630 18 residues pruned to eliminate duplicates Z: 13 13.835 1.866 0.442 0.880 1.000 0.667 CB 1.075 13 residues pruned to eliminate duplicates Z: 32 18.227 2.025 0.594 0.396 0.839 0.387 CB 1.350 32 residues pruned to eliminate duplicates Z: 32 11.503 1.948 0.225 0.244 0.839 0.581 CB 1.388 21 residues pruned to eliminate duplicates Z: 20 22.720 1.985 0.325 0.899 0.895 0.789 CB 1.583 20 residues pruned to eliminate duplicates Z: 19 31.362 2.053 0.804 0.929 1.000 0.722 CB 1.397 18 residues pruned to eliminate duplicates Z: 17 9.429 2.000 0.363 0.402 0.750 0.500 CB 1.279 14 residues pruned to eliminate duplicates Z: 19 15.000 2.029 0.387 0.338 0.889 0.444 CA 1.686 Z: 11 6.363 1.635 0.343 0.495 0.900 0.500 CB 1.022 Z: 20 11.530 2.061 0.698 0.337 0.737 0.368 CB 1.225 20 residues pruned to eliminate duplicates Z: 22 38.515 2.269 0.636 0.909 0.952 0.952 CB 1.687 22 residues pruned to eliminate duplicates Z: 9 13.186 1.904 0.771 0.838 0.875 0.625 CA 1.181 5 residues pruned to eliminate duplicates Z: 10 15.237 1.742 0.609 0.877 1.000 0.556 CA 1.316 Z: 19 10.697 1.880 0.176 0.423 0.944 0.611 CB 1.308 19 residues pruned to eliminate duplicates Z: 18 13.542 1.889 0.608 0.474 0.882 0.647 CB 1.259 11 residues pruned to eliminate duplicates Z: 21 26.186 2.061 0.515 0.930 0.950 0.750 CA 1.380 21 residues pruned to eliminate duplicates Z: 7 9.425 1.746 0.408 0.865 0.833 0.333 CA 1.376 7 residues pruned to eliminate duplicates Z: 13 9.115 1.864 0.316 0.434 0.833 0.417 CB 1.377 Z: 22 47.111 2.282 0.910 0.936 1.000 0.714 CB 1.643 22 residues pruned to eliminate duplicates 6 1.685 1.673 -0.172 0.298 0.600 0.400 N 1.135 ? Z: 14 6.835 1.747 0.386 0.455 0.923 0.538 CB 0.888 Z: 18 10.183 1.936 0.442 0.328 0.824 0.412 CA 1.297 Z: 23 20.152 2.103 0.831 0.356 0.909 0.591 CB 1.433 23 residues pruned to eliminate duplicates Z: 40 15.497 1.922 0.532 0.389 0.795 0.564 CB 1.192 17 residues pruned to eliminate duplicates Z: 8 5.929 1.934 0.362 0.562 0.714 0.714 CB 1.121 Z: 12 8.121 1.823 0.404 0.376 0.909 0.364 CA 1.201 Z: 21 45.665 2.280 0.877 0.904 1.000 0.650 CB 1.700 21 residues pruned to eliminate duplicates Z: 18 28.274 2.116 0.548 0.916 1.000 0.882 CA 1.479 18 residues pruned to eliminate duplicates Z: 7 5.632 1.746 0.757 0.423 0.667 0.333 CA 1.218 7 residues pruned to eliminate duplicates Z: 15 10.485 2.097 0.299 0.425 0.857 0.571 CB 1.298 14 residues pruned to eliminate duplicates Z: 11 11.242 2.049 1.078 0.334 0.800 0.400 CB 1.252 11 residues pruned to eliminate duplicates Z: 18 8.203 1.796 0.414 0.379 0.647 0.412 CB 1.376 18 residues pruned to eliminate duplicates Z: 30 15.411 2.012 0.389 0.452 0.862 0.586 CB 1.248 46 residues pruned to eliminate duplicates Z: 19 13.119 1.854 0.790 0.402 0.833 0.500 CA 1.239 13 residues pruned to eliminate duplicates Z: 21 47.544 2.330 1.098 0.941 0.950 0.700 CB 1.588 21 residues pruned to eliminate duplicates Z: 62 46.705 2.041 0.801 0.630 0.951 0.574 CB 1.514 52 residues pruned to eliminate duplicates Z: 8 14.917 1.808 0.747 0.832 0.857 0.714 CB 1.564 8 residues pruned to eliminate duplicates Z: 18 24.912 2.039 0.698 0.901 1.000 0.471 CB 1.246 17 residues pruned to eliminate duplicates Z: 55 38.929 2.205 0.793 0.553 0.870 0.574 CB 1.462 54 residues pruned to eliminate duplicates Z: 14 10.294 1.786 0.311 0.514 1.000 0.692 CB 1.203 Z: 11 3.535 1.655 0.305 0.236 0.700 0.400 CB 1.004 11 residues pruned to eliminate duplicates Z: 16 25.901 2.107 0.698 0.930 1.000 0.667 CA 1.306 16 residues pruned to eliminate duplicates Z: 18 9.836 1.788 0.490 0.358 0.882 0.471 CB 1.183 18 residues pruned to eliminate duplicates Z: 13 12.284 1.739 0.651 0.478 0.917 0.667 CA 1.377 Z: 14 8.610 1.789 0.269 0.390 0.846 0.385 CB 1.395 Z: 17 23.231 2.143 0.339 0.896 1.000 0.875 CB 1.449 17 residues pruned to eliminate duplicates Z: 18 30.035 2.042 0.715 0.895 0.941 0.765 CB 1.585 18 residues pruned to eliminate duplicates Z: 23 16.559 2.061 0.764 0.427 0.818 0.318 CB 1.279 23 residues pruned to eliminate duplicates Z: 20 32.379 2.103 0.741 0.911 1.000 0.579 CA 1.438 20 residues pruned to eliminate duplicates Z: 7 9.622 1.999 0.117 0.888 1.000 0.833 CB 1.267 7 residues pruned to eliminate duplicates Z: 6 16.302 2.128 0.613 0.815 1.000 1.000 CB 1.616 6 residues pruned to eliminate duplicates Z: 14 14.567 2.111 0.407 0.492 0.846 0.538 CA 1.620 14 residues pruned to eliminate duplicates Z: 20 27.788 1.997 0.737 0.907 1.000 0.789 CB 1.306 20 residues pruned to eliminate duplicates Z: 9 10.931 1.853 0.008 0.921 1.000 1.000 CA 1.456 Z: 11 13.357 1.834 0.532 0.881 1.000 0.800 CB 1.088 13 residues pruned to eliminate duplicates Z: 19 23.523 2.087 0.523 0.911 1.000 0.833 CA 1.237 19 residues pruned to eliminate duplicates Z: 7 4.261 1.641 0.178 0.613 0.667 0.667 C 1.213 Z: 9 8.055 2.016 0.408 0.416 0.875 0.625 CB 1.252 4 residues pruned to eliminate duplicates Z: 20 15.233 1.997 0.346 0.473 0.947 0.526 CB 1.411 20 residues pruned to eliminate duplicates Z: 17 13.740 1.834 0.617 0.522 0.812 0.438 CB 1.395 17 residues pruned to eliminate duplicates Z: 24 9.234 1.877 0.338 0.323 0.783 0.478 CB 1.191 Z: 9 12.849 1.797 0.327 0.808 1.000 0.625 CA 1.457 9 residues pruned to eliminate duplicates Z: 28 29.334 2.074 0.606 0.684 0.963 0.852 CB 1.486 18 residues pruned to eliminate duplicates Z: 18 26.093 2.094 0.699 0.916 1.000 0.824 CA 1.256 18 residues pruned to eliminate duplicates Z: 16 12.721 2.103 0.193 0.475 0.933 0.667 CB 1.439 16 residues pruned to eliminate duplicates Z: 14 13.336 1.889 0.583 0.551 0.923 0.692 CB 1.275 14 residues pruned to eliminate duplicates Z: 37 14.290 1.890 0.414 0.314 0.861 0.611 CB 1.272 33 residues pruned to eliminate duplicates Z: 8 9.599 1.854 0.539 0.834 1.000 0.714 CB 0.954 8 residues pruned to eliminate duplicates Z: 12 14.078 1.938 0.708 0.531 0.909 0.818 CA 1.368 14 residues pruned to eliminate duplicates Z: 19 23.310 2.063 0.457 0.919 0.944 0.778 CA 1.364 19 residues pruned to eliminate duplicates Z: 8 8.535 1.838 0.250 0.846 0.857 0.714 CA 1.217 8 residues pruned to eliminate duplicates Z: 15 18.173 1.896 0.867 0.550 0.929 0.643 CA 1.407 4 residues pruned to eliminate duplicates Z: 10 10.706 1.793 0.453 0.583 0.889 0.556 CB 1.423 10 residues pruned to eliminate duplicates Z: 16 26.808 2.040 0.569 0.913 0.933 0.667 CB 1.640 16 residues pruned to eliminate duplicates Z: 11 11.827 1.988 0.350 0.640 0.900 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 21 16.681 1.901 0.504 0.635 0.950 0.500 CB 1.210 21 residues pruned to eliminate duplicates Z: 12 19.378 1.990 0.812 0.651 1.000 0.909 CB 1.409 12 residues pruned to eliminate duplicates Z: 33 15.784 1.920 0.481 0.338 0.875 0.688 CB 1.338 37 residues pruned to eliminate duplicates Z: 8 12.602 1.977 0.774 0.500 1.000 0.429 CA 1.358 Z: 10 11.875 1.691 0.558 0.771 0.778 0.778 C 1.520 10 residues pruned to eliminate duplicates Z: 36 21.026 1.938 0.308 0.638 0.857 0.743 CB 1.437 36 residues pruned to eliminate duplicates Z: 10 6.094 1.690 0.553 0.378 0.778 0.333 CB 1.133 10 residues pruned to eliminate duplicates Z: 17 9.492 1.787 0.555 0.368 0.812 0.562 CB 1.212 17 residues pruned to eliminate duplicates Z: 7 3.897 1.927 0.211 0.127 1.000 0.667 CB 1.087 7 residues pruned to eliminate duplicates Z: 23 48.939 2.194 1.142 0.894 1.000 0.455 CB 1.592 21 residues pruned to eliminate duplicates Z: 16 10.413 1.911 0.733 0.478 0.800 0.667 CB 1.037 9 residues pruned to eliminate duplicates Z: 8 19.049 2.121 0.593 0.704 1.000 0.857 CB 1.771 8 residues pruned to eliminate duplicates Z: 42 39.779 2.070 0.769 0.713 0.951 0.707 CA 1.470 32 residues pruned to eliminate duplicates Z: 19 16.991 2.107 0.502 0.600 0.889 0.611 CB 1.294 22 residues pruned to eliminate duplicates Z: 21 9.710 1.782 0.444 0.388 0.850 0.650 CB 1.118 21 residues pruned to eliminate duplicates Z: 7 14.538 1.992 0.538 0.737 1.000 0.667 CB 1.566 9 residues pruned to eliminate duplicates Z: 14 11.053 2.087 0.454 0.461 0.846 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 6 3.693 1.439 0.748 0.514 0.800 0.600 CB 0.809 Z: 12 13.261 1.943 0.525 0.568 0.909 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 7 9.263 1.676 0.522 0.652 1.000 0.833 CA 1.286 Z: 34 15.985 1.926 0.482 0.365 0.848 0.606 CB 1.328 34 residues pruned to eliminate duplicates Z: 24 8.953 1.768 0.197 0.349 0.870 0.435 CB 1.194 24 residues pruned to eliminate duplicates Z: 32 20.085 1.879 0.757 0.458 0.968 0.645 CB 1.179 33 residues pruned to eliminate duplicates Z: 9 15.140 2.008 0.480 0.826 0.875 0.250 N 1.552 9 residues pruned to eliminate duplicates Z: 10 15.727 1.969 0.477 0.909 1.000 0.889 CB 1.279 10 residues pruned to eliminate duplicates Z: 11 8.177 1.717 0.488 0.341 0.900 0.400 N 1.338 11 residues pruned to eliminate duplicates Z: 19 14.333 1.895 0.513 0.511 0.944 0.611 CB 1.234 19 residues pruned to eliminate duplicates Z: 32 14.370 1.972 0.599 0.371 0.806 0.484 CB 1.165 14 residues pruned to eliminate duplicates Z: 33 15.051 2.029 0.403 0.324 0.875 0.594 CB 1.298 23 residues pruned to eliminate duplicates Z: 23 43.377 2.216 0.923 0.924 1.000 0.636 CB 1.524 23 residues pruned to eliminate duplicates Z: 18 26.374 2.017 0.688 0.903 1.000 1.000 CB 1.339 18 residues pruned to eliminate duplicates Z: 45 20.401 1.978 0.581 0.352 0.864 0.432 CB 1.337 56 residues pruned to eliminate duplicates Z: 30 23.351 1.974 0.411 0.619 0.966 0.862 CB 1.441 30 residues pruned to eliminate duplicates Z: 7 10.132 1.934 0.390 0.552 1.000 0.667 CB 1.462 7 residues pruned to eliminate duplicates Z: 17 32.033 2.078 0.706 0.937 1.000 0.812 CB 1.572 17 residues pruned to eliminate duplicates Z: 23 11.951 1.815 0.466 0.404 0.864 0.636 CB 1.226 23 residues pruned to eliminate duplicates Z: 21 40.959 2.259 0.791 0.936 1.000 1.000 CB 1.577 21 residues pruned to eliminate duplicates Z: 17 33.467 2.143 0.918 0.936 1.000 0.688 CA 1.418 17 residues pruned to eliminate duplicates Z: 37 34.556 2.022 0.754 0.626 0.944 0.750 CA 1.528 37 residues pruned to eliminate duplicates Z: 21 27.833 1.967 0.503 0.904 0.950 0.700 CB 1.578 21 residues pruned to eliminate duplicates Z: 10 15.803 1.863 0.569 0.910 1.000 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 32 21.470 2.094 0.528 0.420 0.806 0.419 CB 1.624 32 residues pruned to eliminate duplicates Z: 11 16.425 2.043 0.325 0.876 1.000 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 30 14.837 1.868 0.444 0.403 0.862 0.552 CB 1.312 30 residues pruned to eliminate duplicates Z: 42 29.690 2.078 0.603 0.566 0.927 0.610 CB 1.409 50 residues pruned to eliminate duplicates Z: 19 16.160 2.092 0.717 0.348 0.889 0.667 CA 1.407 19 residues pruned to eliminate duplicates Z: 9 10.300 1.882 0.490 0.582 0.875 0.500 CA 1.371 9 residues pruned to eliminate duplicates Z: 30 18.054 1.897 0.524 0.494 0.931 0.655 CB 1.254 30 residues pruned to eliminate duplicates Z: 8 14.393 1.928 0.771 0.816 1.000 1.000 CB 1.211 8 residues pruned to eliminate duplicates Z: 20 11.423 1.924 0.385 0.397 0.895 0.579 CB 1.226 20 residues pruned to eliminate duplicates Z: 10 15.513 1.768 0.658 0.874 1.000 0.889 CA 1.284 10 residues pruned to eliminate duplicates Z: 22 13.272 1.995 0.528 0.293 0.857 0.476 CB 1.397 22 residues pruned to eliminate duplicates Z: 22 14.298 1.969 0.476 0.398 0.857 0.619 CB 1.395 22 residues pruned to eliminate duplicates Z: 23 46.478 2.183 1.058 0.855 1.000 0.500 CB 1.627 23 residues pruned to eliminate duplicates Z: 11 9.448 1.826 0.554 0.388 0.900 0.700 CB 1.317 16 residues pruned to eliminate duplicates Z: 20 7.043 1.811 0.295 0.339 0.895 0.684 CB 0.917 20 residues pruned to eliminate duplicates Z: 20 27.819 2.045 0.629 0.862 0.947 0.632 CA 1.485 20 residues pruned to eliminate duplicates Z: 15 7.956 1.897 0.373 0.436 0.786 0.429 CB 1.110 15 residues pruned to eliminate duplicates Z: 19 26.725 2.024 0.569 0.866 0.944 0.722 CA 1.537 19 residues pruned to eliminate duplicates Z: 8 2.352 1.383 0.222 0.474 0.857 0.571 CB 0.630 Z: 6 5.359 1.490 0.061 0.856 1.000 0.800 N 1.119 6 residues pruned to eliminate duplicates Z: 7 5.623 1.960 0.190 0.211 1.000 0.500 CB 1.383 7 residues pruned to eliminate duplicates Z: 8 6.284 1.622 0.722 0.455 0.714 0.429 CB 1.246 Z: 10 10.035 1.748 0.276 0.565 1.000 0.556 CB 1.408 10 residues pruned to eliminate duplicates Z: 9 5.857 1.621 0.554 0.422 0.750 0.375 CA 1.189 Z: 9 7.243 1.925 0.599 0.426 0.875 0.875 CB 1.027 4 residues pruned to eliminate duplicates Z: 9 9.982 1.737 0.348 0.835 1.000 0.625 CA 1.129 9 residues pruned to eliminate duplicates Z: 13 16.352 1.806 0.938 0.557 0.917 0.667 CB 1.391 13 residues pruned to eliminate duplicates Z: 13 9.329 1.843 0.600 0.456 0.833 0.583 CB 1.146 14 residues pruned to eliminate duplicates Z: 10 4.258 1.634 -0.023 0.511 0.778 0.556 CB 1.130 Z: 23 12.725 1.908 0.278 0.381 0.909 0.636 CB 1.390 22 residues pruned to eliminate duplicates Z: 35 18.782 2.037 0.543 0.313 0.882 0.529 CA 1.428 35 residues pruned to eliminate duplicates Z: 55 33.901 2.113 0.661 0.492 0.889 0.630 CB 1.491 84 residues pruned to eliminate duplicates Z: 23 13.728 1.863 0.364 0.404 0.955 0.545 CB 1.334 23 residues pruned to eliminate duplicates Z: 10 4.106 1.787 0.719 0.175 0.667 0.444 CA 0.991 10 residues pruned to eliminate duplicates Z: 8 6.524 1.939 0.285 0.481 0.857 0.714 CB 1.177 8 residues pruned to eliminate duplicates Z: 26 34.398 2.147 0.528 0.748 1.000 0.840 CA 1.680 26 residues pruned to eliminate duplicates Z: 21 21.833 1.909 0.671 0.605 1.000 0.650 CA 1.385 21 residues pruned to eliminate duplicates Z: 9 14.234 1.861 0.963 0.662 1.000 0.875 CA 1.186 Z: 66 37.145 2.097 0.856 0.467 0.846 0.431 CB 1.447 40 residues pruned to eliminate duplicates Z: 9 7.049 1.674 0.171 0.889 1.000 0.500 CB 0.915 6 residues pruned to eliminate duplicates Z: 21 8.750 1.801 0.358 0.308 0.900 0.600 CB 1.101 21 residues pruned to eliminate duplicates Z: 10 9.389 1.902 0.574 0.544 0.889 0.667 CA 1.126 10 residues pruned to eliminate duplicates Z: 8 4.053 1.636 0.447 0.706 0.857 0.714 CB 0.626 Z: 9 11.151 1.668 0.527 0.816 1.000 0.750 CA 1.176 9 residues pruned to eliminate duplicates Z: 34 22.675 1.946 0.706 0.438 0.879 0.576 CB 1.444 34 residues pruned to eliminate duplicates Z: 20 12.697 1.888 0.544 0.394 0.842 0.421 CB 1.328 7 residues pruned to eliminate duplicates Z: 13 17.870 1.842 0.864 0.649 0.917 0.750 CB 1.425 13 residues pruned to eliminate duplicates Z: 15 10.802 1.967 0.324 0.360 0.857 0.500 CB 1.503 15 residues pruned to eliminate duplicates Z: 21 24.161 2.018 0.548 0.905 0.950 0.950 CB 1.296 21 residues pruned to eliminate duplicates Z: 11 10.505 1.913 0.394 0.638 0.900 0.600 CB 1.216 10 residues pruned to eliminate duplicates Z: 10 15.459 2.018 0.545 0.894 0.889 0.444 CB 1.334 10 residues pruned to eliminate duplicates Z: 15 7.918 1.573 0.475 0.439 0.929 0.571 CB 1.046 15 residues pruned to eliminate duplicates Z: 12 10.740 1.868 0.351 0.677 0.909 0.636 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 4.934 1.673 0.335 0.529 0.800 0.600 CB 1.200 6 residues pruned to eliminate duplicates Z: 15 27.789 2.145 0.774 0.915 0.857 0.429 CB 1.610 15 residues pruned to eliminate duplicates Z: 8 8.187 1.685 0.656 0.627 0.857 0.571 N 1.149 Z: 21 10.216 1.906 0.343 0.351 0.750 0.400 CA 1.398 44 residues pruned to eliminate duplicates Z: 12 19.544 2.088 0.571 0.734 1.000 0.818 CB 1.455 11 residues pruned to eliminate duplicates Z: 38 14.250 1.825 0.594 0.312 0.892 0.459 CB 1.112 38 residues pruned to eliminate duplicates Z: 40 26.046 2.164 0.559 0.341 0.923 0.462 CA 1.593 16 residues pruned to eliminate duplicates Z: 8 12.282 1.937 0.537 0.680 1.000 0.571 CA 1.321 8 residues pruned to eliminate duplicates Z: 19 29.546 2.036 0.757 0.891 0.944 0.889 CA 1.481 19 residues pruned to eliminate duplicates Z: 11 7.868 1.695 0.296 0.512 0.900 0.600 CB 1.243 7 residues pruned to eliminate duplicates Z: 13 11.044 1.763 0.614 0.600 0.917 0.667 CB 1.111 12 residues pruned to eliminate duplicates Z: 9 18.090 2.019 0.696 0.570 1.000 0.750 CA 1.745 9 residues pruned to eliminate duplicates Z: 69 38.853 2.130 0.630 0.532 0.882 0.588 CB 1.490 36 residues pruned to eliminate duplicates Z: 7 6.163 1.947 0.357 0.365 0.833 0.667 CA 1.321 Z: 29 23.539 2.043 0.552 0.541 0.857 0.464 CA 1.573 29 residues pruned to eliminate duplicates Z: 6 2.424 1.526 0.547 0.299 0.600 0.400 CA 0.957 6 residues pruned to eliminate duplicates Z: 8 4.233 1.543 0.364 0.353 0.857 0.571 CB 1.039 Z: 8 4.980 1.519 0.296 0.416 0.857 0.286 CB 1.218 Z: 11 14.007 1.889 0.751 0.615 1.000 0.600 CA 1.201 11 residues pruned to eliminate duplicates Z: 12 14.217 1.837 0.730 0.887 0.818 0.182 CB 1.189 12 residues pruned to eliminate duplicates Z: 29 30.452 2.065 0.496 0.679 0.964 0.857 CB 1.638 25 residues pruned to eliminate duplicates Z: 34 29.908 2.017 0.600 0.634 0.939 0.636 CA 1.514 34 residues pruned to eliminate duplicates Z: 9 13.604 1.714 0.507 0.848 1.000 0.750 O 1.382 9 residues pruned to eliminate duplicates Z: 9 6.379 1.752 0.449 0.358 0.875 0.500 CA 1.183 Z: 29 14.376 2.048 0.549 0.362 0.786 0.536 CB 1.265 29 residues pruned to eliminate duplicates Z: 11 12.683 2.042 0.513 0.451 1.000 0.600 CA 1.366 12 residues pruned to eliminate duplicates Z: 7 4.822 1.669 0.049 0.617 0.667 0.667 CB 1.510 7 residues pruned to eliminate duplicates Z: 29 19.820 1.903 0.839 0.498 0.893 0.643 CB 1.201 29 residues pruned to eliminate duplicates Z: 21 19.289 2.001 0.584 0.555 0.950 0.750 CB 1.358 21 residues pruned to eliminate duplicates Z: 7 5.248 1.734 -0.074 0.638 1.000 0.833 CB 1.173 Z: 10 14.418 1.778 0.530 0.865 1.000 0.333 CB 1.295 10 residues pruned to eliminate duplicates Z: 27 11.698 1.745 0.368 0.369 0.846 0.500 CB 1.307 17 residues pruned to eliminate duplicates Z: 18 26.257 2.007 0.756 0.905 1.000 0.706 CB 1.286 18 residues pruned to eliminate duplicates Z: 8 7.518 1.811 0.589 0.594 0.857 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 7 5.358 1.813 0.234 0.274 1.000 0.667 CB 1.262 Z: 64 38.833 1.980 0.698 0.613 0.905 0.492 CB 1.445 64 residues pruned to eliminate duplicates Z: 20 6.736 1.871 0.504 0.307 0.737 0.579 CB 0.923 Z: 31 16.714 1.906 0.562 0.386 0.933 0.567 CB 1.240 32 residues pruned to eliminate duplicates Z: 8 7.554 2.023 0.315 0.574 1.000 0.714 CB 0.999 8 residues pruned to eliminate duplicates Z: 19 8.636 1.797 0.223 0.338 0.944 0.611 CB 1.169 19 residues pruned to eliminate duplicates Z: 6 3.033 1.599 0.275 0.458 0.600 0.600 N 1.157 6 residues pruned to eliminate duplicates 6 1.860 1.246 -0.007 0.474 0.800 0.600 C 0.863 ? Z: 18 11.876 1.892 0.356 0.404 0.941 0.647 CB 1.320 18 residues pruned to eliminate duplicates Z: 22 25.758 1.898 0.495 0.878 0.952 0.667 CB 1.510 22 residues pruned to eliminate duplicates Z: 12 10.726 1.984 0.379 0.482 0.909 0.727 CB 1.324 12 residues pruned to eliminate duplicates Z: 60 34.968 2.043 0.583 0.557 0.898 0.559 CA 1.482 60 residues pruned to eliminate duplicates Z: 24 15.295 1.964 0.623 0.324 0.783 0.391 CB 1.553 9 residues pruned to eliminate duplicates Z: 16 10.867 2.046 0.841 0.329 0.800 0.333 CB 1.123 15 residues pruned to eliminate duplicates Z: 6 2.985 1.575 -0.176 0.654 1.000 0.600 CB 0.891 6 residues pruned to eliminate duplicates Z: 13 16.940 2.028 0.786 0.610 0.917 0.667 CB 1.327 13 residues pruned to eliminate duplicates Z: 8 8.613 1.792 0.048 0.902 1.000 1.000 CB 1.237 9 residues pruned to eliminate duplicates Z: 46 33.928 2.172 0.644 0.457 0.956 0.556 CA 1.549 46 residues pruned to eliminate duplicates Z: 10 7.646 1.756 0.428 0.480 0.778 0.556 CB 1.334 10 residues pruned to eliminate duplicates Z: 6 3.091 1.542 0.543 0.489 0.800 0.600 CB 0.734 Z: 8 2.535 1.485 0.567 0.350 0.571 0.429 CB 0.848 Z: 21 29.683 1.978 0.797 0.899 0.950 0.650 CB 1.405 21 residues pruned to eliminate duplicates Z: 33 13.770 1.988 0.606 0.370 0.781 0.469 CB 1.122 31 residues pruned to eliminate duplicates Z: 14 11.875 1.788 0.787 0.472 0.923 0.615 CB 1.149 14 residues pruned to eliminate duplicates Z: 20 31.590 2.031 0.952 0.880 0.895 0.579 CA 1.480 20 residues pruned to eliminate duplicates Z: 7 4.480 1.614 0.101 0.459 1.000 0.667 CB 1.073 Z: 9 4.297 1.647 0.465 0.294 0.750 0.375 CB 1.057 Z: 37 19.949 1.861 0.621 0.409 0.889 0.611 CB 1.364 37 residues pruned to eliminate duplicates Z: 20 28.858 1.967 0.845 0.860 0.895 0.526 CB 1.499 20 residues pruned to eliminate duplicates Z: 13 8.507 1.692 0.536 0.447 1.000 0.750 CB 0.998 13 residues pruned to eliminate duplicates Z: 12 19.046 1.895 0.908 0.719 0.909 0.818 CB 1.433 13 residues pruned to eliminate duplicates Z: 17 7.712 1.836 0.769 0.344 0.750 0.500 CB 0.938 17 residues pruned to eliminate duplicates Z: 55 33.510 2.107 0.616 0.479 0.907 0.611 CB 1.508 54 residues pruned to eliminate duplicates Z: 8 6.537 1.767 0.594 0.367 0.714 0.714 C 1.416 8 residues pruned to eliminate duplicates Z: 31 15.641 1.956 0.858 0.290 0.767 0.467 CB 1.298 31 residues pruned to eliminate duplicates Z: 13 13.009 1.848 0.451 0.607 0.833 0.250 CB 1.518 7 residues pruned to eliminate duplicates Z: 19 26.628 2.219 0.868 0.867 0.778 0.611 CB 1.424 19 residues pruned to eliminate duplicates Z: 21 42.370 2.309 0.766 0.906 1.000 0.700 CB 1.653 21 residues pruned to eliminate duplicates Z: 11 10.517 1.707 0.224 0.841 1.000 0.900 CA 1.187 11 residues pruned to eliminate duplicates Z: 14 4.561 1.553 0.162 0.365 0.846 0.538 CB 0.957 14 residues pruned to eliminate duplicates Z: 11 14.021 1.767 0.683 0.806 0.900 0.300 CB 1.268 12 residues pruned to eliminate duplicates Z: 11 8.031 1.752 0.320 0.459 0.900 0.500 N 1.273 11 residues pruned to eliminate duplicates Z: 9 9.475 1.597 0.218 0.886 1.000 0.875 CA 1.243 9 residues pruned to eliminate duplicates Z: 13 7.543 1.897 0.219 0.443 0.917 0.500 CB 1.090 13 residues pruned to eliminate duplicates Z: 7 3.601 1.608 0.747 0.388 0.667 0.667 CB 0.884 7 residues pruned to eliminate duplicates Z: 9 6.192 1.782 0.350 0.493 0.750 0.375 CB 1.221 9 residues pruned to eliminate duplicates Z: 21 8.811 1.861 0.227 0.343 0.900 0.600 CB 1.138 21 residues pruned to eliminate duplicates Z: 9 2.269 1.442 -0.125 0.354 0.875 0.375 CB 0.850 Z: 60 38.743 2.083 0.658 0.597 0.898 0.508 CA 1.483 30 residues pruned to eliminate duplicates Z: 19 31.879 2.061 0.950 0.929 0.944 0.611 CA 1.385 19 residues pruned to eliminate duplicates Z: 17 16.032 1.873 0.794 0.502 0.938 0.625 CB 1.269 12 residues pruned to eliminate duplicates Z: 10 17.171 1.939 1.146 0.897 1.000 0.778 CB 0.985 9 residues pruned to eliminate duplicates Z: 13 8.618 1.712 0.500 0.587 0.917 0.750 CB 0.973 12 residues pruned to eliminate duplicates Z: 18 14.094 2.007 0.170 0.468 0.941 0.588 CB 1.599 18 residues pruned to eliminate duplicates Z: 16 5.953 1.874 0.493 0.365 0.600 0.467 CB 1.059 10 residues pruned to eliminate duplicates Z: 7 4.211 1.505 0.165 0.629 0.833 0.667 CB 1.042 7 residues pruned to eliminate duplicates Z: 7 6.725 1.515 0.378 0.745 1.000 0.500 CA 1.056 Z: 8 2.810 1.562 -0.093 0.310 0.857 0.286 CB 1.080 7 residues pruned to eliminate duplicates Z: 18 14.707 1.859 0.840 0.434 0.824 0.588 CB 1.355 18 residues pruned to eliminate duplicates Z: 7 7.321 1.732 0.288 0.550 1.000 0.667 CB 1.277 Z: 7 3.385 1.794 0.517 0.277 0.500 0.500 CB 1.306 Z: 9 4.908 1.457 0.234 0.391 1.000 0.375 CB 1.083 6 residues pruned to eliminate duplicates 9 1.600 1.452 0.021 0.199 0.750 0.375 CB 0.728 ? Z: 9 2.270 1.603 0.158 0.508 0.875 0.500 CB 0.490 9 residues pruned to eliminate duplicates Z: 7 9.646 1.753 0.232 0.888 1.000 0.500 CB 1.314 7 residues pruned to eliminate duplicates Z: 10 5.495 1.856 0.188 0.312 0.778 0.222 CB 1.316 9 residues pruned to eliminate duplicates Z: 13 10.811 1.756 0.432 0.411 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 59 36.042 2.014 0.685 0.615 0.897 0.534 CA 1.396 60 residues pruned to eliminate duplicates Z: 31 11.711 1.875 0.397 0.341 0.833 0.367 CB 1.164 31 residues pruned to eliminate duplicates Z: 37 28.593 1.992 0.572 0.587 0.972 0.611 CA 1.440 37 residues pruned to eliminate duplicates Z: 8 12.176 2.018 0.764 0.634 1.000 0.714 CB 1.140 9 residues pruned to eliminate duplicates Z: 10 4.491 1.622 0.114 0.625 0.889 0.778 CB 0.828 10 residues pruned to eliminate duplicates Z: 8 3.116 1.736 0.501 0.381 0.857 0.571 CB 0.598 Z: 24 14.150 1.931 0.412 0.417 0.913 0.652 CB 1.292 24 residues pruned to eliminate duplicates 6 1.595 1.242 0.447 0.226 0.600 0.400 N 0.912 ? Z: 22 7.406 1.764 0.613 0.296 0.667 0.476 CB 1.071 18 residues pruned to eliminate duplicates Z: 14 22.568 2.204 0.700 0.837 0.923 0.615 CB 1.354 14 residues pruned to eliminate duplicates Z: 6 2.689 1.586 0.432 0.457 0.800 0.600 CB 0.692 Z: 12 10.407 1.833 0.513 0.448 0.818 0.727 CB 1.460 12 residues pruned to eliminate duplicates Z: 18 13.156 1.796 0.696 0.520 0.824 0.471 CA 1.247 18 residues pruned to eliminate duplicates Z: 24 12.705 1.913 0.689 0.342 0.739 0.565 CB 1.317 24 residues pruned to eliminate duplicates Z: 7 9.426 1.796 0.419 0.518 1.000 0.500 N 1.484 Z: 11 6.972 1.826 0.320 0.350 0.900 0.500 CB 1.196 11 residues pruned to eliminate duplicates Z: 6 4.548 1.363 1.055 0.361 0.800 0.400 CB 1.055 Z: 20 11.956 1.801 0.653 0.413 0.895 0.632 CB 1.127 10 residues pruned to eliminate duplicates Z: 11 8.425 1.883 0.347 0.470 0.800 0.600 CA 1.353 11 residues pruned to eliminate duplicates Z: 21 49.299 2.292 1.102 0.928 0.950 0.850 CB 1.686 21 residues pruned to eliminate duplicates Z: 39 24.307 1.980 0.661 0.463 0.816 0.447 CB 1.527 38 residues pruned to eliminate duplicates Z: 32 12.771 2.001 0.379 0.249 0.806 0.323 CB 1.376 39 residues pruned to eliminate duplicates Z: 14 5.203 1.698 0.601 0.304 0.769 0.462 CB 0.858 14 residues pruned to eliminate duplicates Z: 51 37.601 2.016 0.754 0.650 0.880 0.520 CA 1.486 51 residues pruned to eliminate duplicates Z: 14 10.961 1.843 0.446 0.466 0.846 0.538 CA 1.396 14 residues pruned to eliminate duplicates Z: 13 8.021 1.860 0.621 0.324 0.750 0.500 CB 1.243 13 residues pruned to eliminate duplicates Z: 13 19.298 1.845 0.921 0.885 1.000 0.667 CB 1.135 13 residues pruned to eliminate duplicates Z: 16 21.253 1.912 0.939 0.888 0.933 0.533 CB 1.142 16 residues pruned to eliminate duplicates Z: 12 3.547 1.727 0.219 0.263 0.636 0.364 CB 1.046 12 residues pruned to eliminate duplicates Z: 18 14.683 2.089 0.442 0.354 0.882 0.471 CA 1.570 18 residues pruned to eliminate duplicates Z: 15 11.647 1.990 0.991 0.403 0.786 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 17 32.751 2.174 0.763 0.933 1.000 0.688 CB 1.491 17 residues pruned to eliminate duplicates Z: 11 8.350 1.920 0.388 0.445 1.000 0.600 CB 1.048 11 residues pruned to eliminate duplicates Z: 13 13.245 1.886 0.605 0.520 0.833 0.667 CB 1.487 13 residues pruned to eliminate duplicates Z: 9 3.489 1.622 0.372 0.357 0.750 0.375 CB 0.863 9 residues pruned to eliminate duplicates Z: 26 9.429 1.784 0.477 0.250 0.880 0.440 CB 1.084 24 residues pruned to eliminate duplicates Z: 7 4.741 1.518 0.232 0.568 0.833 0.500 N 1.164 Z: 21 24.908 2.031 0.568 0.896 0.950 0.750 CA 1.318 21 residues pruned to eliminate duplicates Z: 9 11.834 1.920 0.716 0.866 1.000 1.000 CA 0.930 12 residues pruned to eliminate duplicates 9 1.870 1.467 0.409 0.232 0.500 0.375 CA 0.874 ? Z: 12 12.083 2.093 0.559 0.347 0.909 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 25 16.638 2.033 0.735 0.321 0.875 0.500 CB 1.340 25 residues pruned to eliminate duplicates Z: 12 6.641 1.721 0.420 0.281 0.818 0.364 CA 1.283 5 residues pruned to eliminate duplicates Z: 10 7.556 1.840 0.616 0.357 0.778 0.333 CB 1.270 7 residues pruned to eliminate duplicates Z: 8 8.745 1.901 0.417 0.533 0.857 0.571 CB 1.387 8 residues pruned to eliminate duplicates Z: 18 16.893 2.006 0.405 0.619 0.941 0.647 CB 1.380 18 residues pruned to eliminate duplicates Z: 11 3.898 1.483 0.617 0.311 0.800 0.400 CB 0.793 Z: 53 40.859 2.156 0.731 0.542 0.942 0.750 CB 1.546 54 residues pruned to eliminate duplicates Z: 7 8.334 1.796 0.579 0.756 1.000 1.000 CB 0.956 7 residues pruned to eliminate duplicates Z: 12 11.573 1.703 0.629 0.590 1.000 0.636 CA 1.154 12 residues pruned to eliminate duplicates Z: 15 6.372 1.536 0.436 0.462 0.857 0.714 CB 0.937 Z: 9 9.652 1.837 0.607 0.744 1.000 0.750 CA 0.929 9 residues pruned to eliminate duplicates Z: 32 16.144 1.861 0.730 0.309 0.871 0.581 CB 1.278 32 residues pruned to eliminate duplicates Z: 6 3.952 1.537 0.020 0.586 1.000 0.400 CB 1.039 Z: 26 11.887 2.004 0.522 0.387 0.760 0.400 CB 1.157 26 residues pruned to eliminate duplicates Z: 10 14.188 1.906 0.527 0.650 1.000 0.667 CB 1.413 10 residues pruned to eliminate duplicates Z: 11 6.798 1.848 0.508 0.338 0.800 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 6 3.419 1.720 0.216 0.597 1.000 0.800 CB 0.667 Z: 11 16.993 1.924 0.458 0.883 1.000 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 16 7.448 2.019 0.550 0.320 0.733 0.467 CB 1.022 9 residues pruned to eliminate duplicates Z: 23 13.304 1.940 0.442 0.431 0.818 0.591 CB 1.331 23 residues pruned to eliminate duplicates Z: 23 12.624 1.945 0.389 0.384 0.909 0.545 CB 1.240 22 residues pruned to eliminate duplicates Z: 7 12.554 2.215 0.989 0.369 1.000 0.667 CB 1.339 7 residues pruned to eliminate duplicates Z: 8 3.148 1.606 0.271 0.538 0.714 0.714 CB 0.786 Z: 23 12.149 1.954 0.463 0.366 0.818 0.455 CB 1.278 22 residues pruned to eliminate duplicates Z: 16 9.222 1.853 0.596 0.400 0.733 0.400 CB 1.219 20 residues pruned to eliminate duplicates Z: 6 3.365 1.551 0.102 0.396 0.800 0.600 CB 1.229 Z: 11 15.676 1.850 0.605 0.886 1.000 0.900 CB 1.205 11 residues pruned to eliminate duplicates Z: 8 12.725 1.949 0.772 0.641 1.000 0.857 CB 1.221 8 residues pruned to eliminate duplicates Z: 13 8.353 1.830 0.603 0.300 0.750 0.500 CA 1.370 13 residues pruned to eliminate duplicates Z: 14 7.169 1.859 0.350 0.384 0.692 0.538 CB 1.295 14 residues pruned to eliminate duplicates Z: 18 14.888 1.981 0.601 0.496 0.941 0.588 CB 1.215 18 residues pruned to eliminate duplicates Z: 11 5.562 1.999 0.455 0.410 0.700 0.400 CB 0.949 11 residues pruned to eliminate duplicates Z: 17 13.765 1.894 0.631 0.426 0.938 0.562 CA 1.284 17 residues pruned to eliminate duplicates Z: 7 3.297 1.495 0.657 0.479 0.667 0.333 N 0.833 7 residues pruned to eliminate duplicates Z: 8 8.914 1.797 0.514 0.620 1.000 0.857 CB 1.105 8 residues pruned to eliminate duplicates Z: 40 17.745 1.890 0.461 0.422 0.872 0.462 CB 1.280 40 residues pruned to eliminate duplicates Z: 10 12.848 1.971 0.511 0.636 1.000 0.556 CB 1.265 14 residues pruned to eliminate duplicates Z: 26 13.638 2.037 0.660 0.301 0.800 0.440 CB 1.260 26 residues pruned to eliminate duplicates Z: 12 8.859 1.984 0.491 0.185 0.818 0.545 CA 1.612 12 residues pruned to eliminate duplicates Z: 10 3.614 1.505 0.566 0.279 0.667 0.333 CB 0.985 8 residues pruned to eliminate duplicates Z: 9 4.173 1.365 0.431 0.465 0.750 0.250 C 1.043 Z: 17 14.595 1.862 0.803 0.445 0.875 0.562 CB 1.315 17 residues pruned to eliminate duplicates Z: 13 14.689 1.798 0.494 0.723 1.000 0.500 CA 1.290 13 residues pruned to eliminate duplicates Z: 30 18.498 1.940 0.775 0.435 0.897 0.586 CB 1.191 30 residues pruned to eliminate duplicates Z: 12 4.100 1.759 0.281 0.299 0.818 0.273 CA 0.839 12 residues pruned to eliminate duplicates Z: 11 5.756 1.805 0.212 0.279 0.900 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 7 14.373 1.924 0.516 0.858 1.000 0.833 CA 1.481 7 residues pruned to eliminate duplicates Z: 6 4.499 1.382 0.606 0.655 1.000 0.800 CA 0.785 6 residues pruned to eliminate duplicates Z: 16 5.168 1.675 0.083 0.331 0.933 0.600 CB 0.949 16 residues pruned to eliminate duplicates Z: 12 5.145 1.796 0.431 0.259 0.727 0.455 CB 1.093 12 residues pruned to eliminate duplicates Z: 6 5.973 1.499 0.372 0.699 1.000 0.800 C 1.084 6 residues pruned to eliminate duplicates Z: 8 4.792 1.588 0.554 0.283 0.857 0.571 CA 1.093 Z: 22 37.872 2.167 0.816 0.898 1.000 0.667 CB 1.502 22 residues pruned to eliminate duplicates Z: 31 16.455 2.017 0.450 0.421 0.900 0.467 CB 1.239 31 residues pruned to eliminate duplicates Z: 9 7.682 1.596 0.239 0.668 0.875 0.625 CA 1.344 9 residues pruned to eliminate duplicates Z: 14 6.413 1.485 0.399 0.361 0.923 0.462 CA 1.078 13 residues pruned to eliminate duplicates Z: 19 12.847 1.849 0.750 0.436 0.833 0.444 CB 1.199 19 residues pruned to eliminate duplicates Z: 18 9.122 1.868 0.507 0.302 0.765 0.471 CB 1.281 24 residues pruned to eliminate duplicates Z: 10 7.966 1.706 0.448 0.459 0.778 0.778 CB 1.441 10 residues pruned to eliminate duplicates Z: 18 19.766 1.802 0.326 0.834 1.000 0.765 CB 1.505 18 residues pruned to eliminate duplicates Z: 17 10.376 1.703 0.407 0.350 0.938 0.375 CB 1.359 12 residues pruned to eliminate duplicates Z: 11 11.100 1.942 0.785 0.338 0.900 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 9 10.815 1.707 0.509 0.847 1.000 0.625 CA 1.102 9 residues pruned to eliminate duplicates 6 1.491 1.631 0.244 0.394 1.000 0.200 CB 0.367 ? Z: 8 10.235 1.712 0.821 0.630 0.857 0.714 CA 1.281 Z: 15 6.503 1.648 0.819 0.414 0.643 0.429 CB 0.987 15 residues pruned to eliminate duplicates Z: 7 3.902 1.498 0.274 0.490 1.000 0.500 CB 0.843 Z: 6 2.491 1.513 0.162 0.191 0.800 0.400 CB 1.146 6 residues pruned to eliminate duplicates Z: 16 14.613 1.938 0.312 0.707 0.933 0.800 CB 1.317 16 residues pruned to eliminate duplicates Z: 30 13.774 2.001 0.508 0.348 0.759 0.517 CB 1.317 30 residues pruned to eliminate duplicates Z: 8 2.885 1.440 0.273 0.472 0.857 0.571 O 0.714 Z: 10 6.980 1.740 0.416 0.382 0.889 0.444 CB 1.205 10 residues pruned to eliminate duplicates Z: 8 3.520 1.713 0.054 0.295 0.857 0.429 CA 1.081 8 residues pruned to eliminate duplicates Z: 11 10.148 1.722 0.199 0.728 1.000 0.800 CA 1.265 12 residues pruned to eliminate duplicates Z: 6 3.765 1.740 0.078 0.662 1.000 0.600 CB 0.773 6 residues pruned to eliminate duplicates Z: 16 6.820 1.612 0.517 0.215 0.867 0.400 CA 1.162 16 residues pruned to eliminate duplicates Z: 7 5.776 1.713 0.519 0.537 0.833 0.500 CB 1.049 7 residues pruned to eliminate duplicates Z: 11 8.932 1.705 0.622 0.603 0.900 0.600 CA 1.029 11 residues pruned to eliminate duplicates Z: 22 8.032 1.711 0.428 0.333 0.762 0.381 CB 1.130 25 residues pruned to eliminate duplicates Z: 8 3.041 1.409 0.107 0.463 0.714 0.286 CA 1.072 Z: 9 13.359 1.997 0.451 0.567 1.000 0.625 CA 1.527 9 residues pruned to eliminate duplicates Z: 9 8.236 1.612 0.655 0.643 0.750 0.625 C 1.273 9 residues pruned to eliminate duplicates Z: 19 31.755 2.071 0.898 0.919 1.000 0.722 CB 1.342 19 residues pruned to eliminate duplicates Z: 35 36.133 2.192 0.575 0.693 0.941 0.706 CA 1.598 35 residues pruned to eliminate duplicates Z: 16 21.000 2.183 0.506 0.526 1.000 0.733 CA 1.608 16 residues pruned to eliminate duplicates Z: 21 18.139 2.090 0.759 0.292 0.900 0.450 CA 1.548 21 residues pruned to eliminate duplicates Z: 8 4.150 1.630 0.205 0.410 0.714 0.571 N 1.228 Z: 9 5.986 1.694 0.212 0.425 0.875 0.500 CA 1.274 9 residues pruned to eliminate duplicates 6 1.296 1.013 0.008 0.372 1.000 0.400 CB 0.650 ? Z: 16 9.869 1.913 0.236 0.474 0.867 0.600 CB 1.277 16 residues pruned to eliminate duplicates Z: 6 2.554 1.382 0.465 0.643 0.800 0.600 CB 0.617 Z: 40 37.503 2.071 0.788 0.675 0.949 0.615 CA 1.455 39 residues pruned to eliminate duplicates Z: 7 8.425 1.904 0.672 0.882 1.000 0.667 CB 0.782 6 residues pruned to eliminate duplicates Z: 21 11.930 2.016 0.404 0.315 0.850 0.600 CB 1.359 21 residues pruned to eliminate duplicates Z: 24 19.117 1.927 0.585 0.595 0.913 0.522 CB 1.305 24 residues pruned to eliminate duplicates Z: 24 16.843 1.754 0.654 0.591 0.913 0.609 CB 1.216 24 residues pruned to eliminate duplicates Z: 20 27.863 2.045 0.800 0.880 0.947 0.421 CA 1.328 20 residues pruned to eliminate duplicates Z: 6 5.307 1.732 0.271 0.546 1.000 0.600 C 1.031 Z: 12 9.766 1.913 0.702 0.351 0.818 0.636 CA 1.299 9 residues pruned to eliminate duplicates Z: 7 4.023 1.635 -0.299 0.654 1.000 0.667 CB 1.243 Z: 12 5.026 1.608 0.274 0.354 0.727 0.364 CB 1.190 10 residues pruned to eliminate duplicates Z: 17 6.919 2.007 0.555 0.270 0.750 0.562 CB 0.960 17 residues pruned to eliminate duplicates Z: 15 9.773 1.959 1.033 0.316 0.786 0.429 CB 1.023 15 residues pruned to eliminate duplicates Z: 9 5.554 1.663 0.153 0.577 1.000 0.625 CB 0.950 Z: 8 2.398 1.565 0.678 0.292 0.857 0.286 CB 0.508 8 residues pruned to eliminate duplicates Z: 10 4.908 1.657 0.489 0.415 0.889 0.556 CB 0.815 10 residues pruned to eliminate duplicates Z: 18 13.120 1.888 0.754 0.298 0.824 0.647 CB 1.463 18 residues pruned to eliminate duplicates 6 1.806 1.404 0.583 0.347 0.600 0.400 CB 0.714 ? Z: 15 12.125 1.950 0.359 0.535 0.857 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 12 11.665 1.977 0.596 0.398 0.909 0.636 CA 1.366 12 residues pruned to eliminate duplicates 7 1.286 1.007 0.266 0.328 0.667 0.333 N 0.747 ? Z: 9 5.256 1.690 0.156 0.540 0.750 0.375 CB 1.220 9 residues pruned to eliminate duplicates Z: 6 6.384 2.035 0.186 0.483 1.000 0.600 CB 1.204 Z: 9 2.799 1.174 0.682 0.280 0.875 0.375 CB 0.734 Z: 7 2.722 1.647 -0.232 0.479 1.000 0.500 CB 0.897 Z: 19 10.196 1.884 0.150 0.412 0.889 0.611 CA 1.367 19 residues pruned to eliminate duplicates Z: 10 7.314 1.658 0.512 0.583 0.889 0.667 CB 1.010 Z: 7 4.230 1.629 0.653 0.418 0.667 0.667 CB 1.048 Z: 10 8.191 1.691 0.651 0.461 1.000 0.444 CA 1.018 Z: 7 2.140 1.412 -0.234 0.498 0.833 0.500 CB 0.972 Z: 12 8.140 1.867 0.671 0.332 0.818 0.545 CB 1.156 12 residues pruned to eliminate duplicates Z: 6 2.963 1.503 0.631 0.293 0.600 0.400 CB 1.135 Z: 7 9.344 1.821 0.274 0.863 1.000 0.833 CB 1.206 7 residues pruned to eliminate duplicates Z: 14 14.477 2.137 0.278 0.761 0.846 0.846 CB 1.378 14 residues pruned to eliminate duplicates Z: 16 11.086 1.917 0.624 0.401 0.800 0.467 CA 1.275 16 residues pruned to eliminate duplicates Z: 19 9.809 1.806 0.557 0.311 0.944 0.611 CB 1.073 19 residues pruned to eliminate duplicates Z: 12 5.542 1.576 0.219 0.499 0.818 0.727 CA 1.064 12 residues pruned to eliminate duplicates Z: 12 3.452 1.608 0.217 0.276 0.727 0.364 CB 0.942 8 residues pruned to eliminate duplicates Z: 28 18.804 1.829 0.589 0.443 0.889 0.407 CA 1.486 28 residues pruned to eliminate duplicates Z: 8 3.758 1.658 -0.079 0.363 0.857 0.429 CB 1.257 8 residues pruned to eliminate duplicates Z: 6 3.533 1.259 0.602 0.459 0.800 0.400 O 1.021 Z: 15 15.661 2.011 0.780 0.542 0.786 0.571 CB 1.429 15 residues pruned to eliminate duplicates Z: 12 6.794 1.532 0.629 0.465 0.818 0.364 CA 1.040 12 residues pruned to eliminate duplicates Z: 6 8.294 2.081 0.752 0.510 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 8 6.627 1.908 0.511 0.430 0.857 0.429 CB 1.090 8 residues pruned to eliminate duplicates 6 0.745 1.216 -0.278 0.720 1.000 0.800 CB 0.311 ? Z: 10 5.038 1.478 0.529 0.367 0.889 0.556 CB 0.963 7 1.602 1.360 0.268 0.385 0.667 0.500 CB 0.643 ? Z: 6 2.033 1.311 0.494 0.482 0.800 0.600 N 0.591 Z: 7 2.194 1.511 0.062 0.249 0.667 0.500 CB 1.118 Z: 7 3.439 1.458 0.114 0.432 0.833 0.500 CB 1.113 Z: 7 3.359 1.633 -0.192 0.642 1.000 0.333 CB 0.910 Z: 6 5.891 1.421 0.618 0.576 1.000 0.600 C 1.065 Z: 12 10.505 1.774 0.592 0.555 0.909 0.636 CA 1.170 12 residues pruned to eliminate duplicates Z: 7 4.269 2.055 -0.088 0.297 0.833 0.500 CB 1.400 7 residues pruned to eliminate duplicates Z: 16 9.870 1.839 0.377 0.502 0.933 0.533 CA 1.075 16 residues pruned to eliminate duplicates Z: 30 24.030 2.074 0.811 0.457 1.000 0.517 CB 1.242 30 residues pruned to eliminate duplicates Z: 11 7.445 1.717 0.520 0.539 0.800 0.600 CB 1.085 7 residues pruned to eliminate duplicates Z: 7 6.934 1.736 0.593 0.791 0.667 0.500 CA 1.189 Z: 23 10.194 1.890 0.553 0.274 0.818 0.318 CB 1.169 23 residues pruned to eliminate duplicates Z: 8 2.658 1.326 0.468 0.333 0.714 0.571 N 0.867 Z: 6 7.450 1.682 0.752 0.602 1.000 0.800 CA 1.026 6 residues pruned to eliminate duplicates Z: 8 7.128 1.487 0.726 0.413 1.000 0.571 CB 1.149 Z: 17 29.924 2.073 0.950 0.876 0.938 0.625 CB 1.434 17 residues pruned to eliminate duplicates Z: 11 6.348 1.885 0.182 0.363 0.800 0.600 CB 1.305 11 residues pruned to eliminate duplicates Z: 8 5.846 1.783 0.375 0.346 1.000 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 9 15.363 1.922 0.747 0.579 1.000 0.625 CA 1.500 9 residues pruned to eliminate duplicates Z: 24 17.751 1.920 0.696 0.524 0.826 0.478 CB 1.344 24 residues pruned to eliminate duplicates Z: 25 10.045 1.756 0.302 0.364 0.833 0.333 CB 1.245 24 residues pruned to eliminate duplicates Z: 11 7.154 1.678 0.469 0.434 0.800 0.600 CA 1.229 9 residues pruned to eliminate duplicates Z: 9 6.140 1.640 0.409 0.542 0.875 0.625 CB 1.030 8 residues pruned to eliminate duplicates Z: 13 8.818 1.704 0.225 0.562 0.917 0.667 CB 1.253 13 residues pruned to eliminate duplicates Z: 19 31.104 2.035 0.959 0.902 1.000 0.611 CB 1.311 19 residues pruned to eliminate duplicates Z: 11 11.082 2.074 0.462 0.445 0.900 0.700 CA 1.358 11 residues pruned to eliminate duplicates Z: 27 14.988 1.857 0.686 0.417 0.846 0.538 CB 1.209 30 residues pruned to eliminate duplicates Z: 47 30.518 2.039 0.519 0.638 0.870 0.543 CA 1.468 47 residues pruned to eliminate duplicates Z: 8 6.542 1.543 0.228 0.602 1.000 0.714 O 1.184 9 residues pruned to eliminate duplicates Z: 7 6.404 1.635 0.637 0.738 0.667 0.333 CA 1.184 7 residues pruned to eliminate duplicates Z: 12 11.157 1.494 0.584 0.930 1.000 0.909 CB 0.994 9 residues pruned to eliminate duplicates Z: 15 9.331 1.989 0.441 0.348 0.786 0.571 CB 1.305 15 residues pruned to eliminate duplicates Z: 7 3.602 1.417 0.764 0.232 0.833 0.333 CA 0.964 7 residues pruned to eliminate duplicates Z: 19 6.388 1.726 0.508 0.267 0.778 0.389 CB 0.969 19 residues pruned to eliminate duplicates Z: 27 30.374 2.107 0.747 0.666 0.962 0.692 CB 1.443 27 residues pruned to eliminate duplicates Z: 7 7.655 1.813 0.680 0.641 1.000 0.500 CB 0.899 6 residues pruned to eliminate duplicates Z: 22 27.803 1.958 0.737 0.876 1.000 0.857 CB 1.296 22 residues pruned to eliminate duplicates Z: 35 18.057 1.918 0.663 0.449 0.765 0.471 CB 1.338 43 residues pruned to eliminate duplicates Z: 37 15.740 1.969 0.457 0.369 0.833 0.528 CB 1.262 37 residues pruned to eliminate duplicates Z: 19 15.010 2.066 0.447 0.358 0.944 0.667 CA 1.461 19 residues pruned to eliminate duplicates Z: 6 2.851 1.569 0.435 0.565 0.800 0.600 CB 0.665 4 residues pruned to eliminate duplicates Z: 9 11.457 1.764 0.565 0.853 1.000 0.500 CA 1.084 9 residues pruned to eliminate duplicates Z: 10 4.792 1.481 0.602 0.359 0.778 0.556 CB 1.008 7 residues pruned to eliminate duplicates Z: 7 2.918 1.468 0.268 0.415 0.667 0.500 N 1.049 7 residues pruned to eliminate duplicates Z: 19 8.906 1.794 0.535 0.267 0.722 0.333 CB 1.377 17 residues pruned to eliminate duplicates Z: 11 19.235 1.917 0.966 0.640 1.000 0.700 CA 1.415 11 residues pruned to eliminate duplicates Z: 7 5.250 1.485 0.454 0.582 0.833 0.833 CB 1.101 7 residues pruned to eliminate duplicates Z: 6 3.858 1.479 0.800 0.416 0.600 0.600 CA 1.179 6 residues pruned to eliminate duplicates Z: 24 15.387 1.974 0.339 0.486 0.913 0.478 CA 1.348 24 residues pruned to eliminate duplicates Z: 6 2.997 1.518 0.377 0.320 1.000 0.400 CB 0.782 Z: 16 22.402 1.933 0.451 0.917 1.000 0.667 CB 1.456 16 residues pruned to eliminate duplicates Z: 8 4.198 1.783 0.091 0.423 0.714 0.714 CA 1.237 8 residues pruned to eliminate duplicates Z: 33 21.102 1.821 0.470 0.696 0.875 0.438 CB 1.331 33 residues pruned to eliminate duplicates Z: 7 5.404 1.858 0.395 0.270 1.000 0.667 CB 1.105 7 residues pruned to eliminate duplicates Z: 11 13.839 1.999 0.238 0.887 1.000 0.800 CB 1.275 11 residues pruned to eliminate duplicates Z: 10 11.689 1.556 0.825 0.806 1.000 0.667 CA 1.051 10 residues pruned to eliminate duplicates Z: 43 15.719 1.935 0.552 0.308 0.810 0.476 CB 1.235 43 residues pruned to eliminate duplicates Z: 9 4.344 1.679 0.569 0.423 0.750 0.625 CB 0.842 Z: 11 3.287 1.399 0.264 0.260 0.700 0.500 CB 1.105 11 residues pruned to eliminate duplicates Z: 18 15.572 2.080 0.581 0.342 0.824 0.471 CB 1.656 18 residues pruned to eliminate duplicates Z: 6 3.527 1.286 0.369 0.595 1.000 0.400 CB 0.818 Z: 9 14.199 1.969 0.823 0.623 1.000 0.750 CA 1.246 9 residues pruned to eliminate duplicates Z: 24 10.095 1.950 0.280 0.308 0.870 0.435 CB 1.200 24 residues pruned to eliminate duplicates Z: 6 5.254 1.650 0.138 0.453 1.000 0.800 N 1.314 6 residues pruned to eliminate duplicates Z: 8 13.588 1.830 0.705 0.784 0.857 0.429 N 1.496 8 residues pruned to eliminate duplicates Z: 11 12.128 1.848 0.459 0.793 1.000 0.800 CA 1.101 11 residues pruned to eliminate duplicates Z: 11 8.845 1.691 0.713 0.397 0.900 0.700 N 1.196 11 residues pruned to eliminate duplicates Z: 27 14.355 2.046 0.407 0.403 0.846 0.500 CB 1.279 27 residues pruned to eliminate duplicates Z: 13 8.651 1.710 0.321 0.441 0.917 0.583 N 1.282 13 residues pruned to eliminate duplicates Z: 9 10.393 1.812 0.572 0.494 1.000 0.625 CA 1.298 9 residues pruned to eliminate duplicates Z: 10 2.487 1.231 0.108 0.280 0.889 0.333 CB 0.876 Z: 11 2.905 1.510 0.143 0.322 0.900 0.400 CB 0.719 10 residues pruned to eliminate duplicates Z: 7 7.015 1.684 0.430 0.666 1.000 0.667 N 1.020 Z: 25 9.444 1.739 0.463 0.397 0.833 0.500 CB 1.014 25 residues pruned to eliminate duplicates 6 0.637 1.302 0.182 0.230 0.600 0.400 CB 0.423 ? Z: 12 10.865 1.872 0.270 0.718 0.909 0.364 CB 1.244 12 residues pruned to eliminate duplicates Z: 10 8.099 1.757 0.215 0.574 1.000 0.667 CA 1.178 10 residues pruned to eliminate duplicates Z: 7 3.881 1.445 0.187 0.691 0.833 0.667 CA 0.931 Z: 9 10.786 1.733 0.439 0.620 1.000 0.750 CA 1.364 7 residues pruned to eliminate duplicates Z: 22 8.310 1.669 0.399 0.374 0.905 0.429 CB 0.981 22 residues pruned to eliminate duplicates Z: 14 10.221 1.925 0.330 0.464 0.846 0.615 CB 1.359 14 residues pruned to eliminate duplicates Z: 7 4.301 1.588 0.460 0.550 0.833 0.667 CB 0.865 7 residues pruned to eliminate duplicates 7 1.952 1.468 -0.100 0.275 0.667 0.500 N 1.168 ? Z: 15 15.361 2.046 0.857 0.428 0.857 0.571 CA 1.359 15 residues pruned to eliminate duplicates Z: 9 3.276 1.437 0.340 0.370 0.750 0.125 CB 0.923 Z: 8 4.860 1.493 0.270 0.504 0.857 0.429 CB 1.126 Z: 10 12.303 1.751 0.434 0.884 1.000 0.556 CB 1.180 10 residues pruned to eliminate duplicates Z: 24 21.224 2.063 0.453 0.518 0.957 0.826 CA 1.515 24 residues pruned to eliminate duplicates 6 1.895 1.664 -0.140 0.300 1.000 0.200 CB 0.740 ? Z: 22 26.685 2.152 0.471 0.853 0.952 0.857 CB 1.428 22 residues pruned to eliminate duplicates Z: 7 3.460 1.544 0.372 0.378 0.833 0.667 CB 0.911 7 residues pruned to eliminate duplicates Z: 13 8.752 1.767 0.689 0.389 0.833 0.417 CB 1.143 13 residues pruned to eliminate duplicates Z: 8 7.675 1.520 0.799 0.476 1.000 0.857 CB 1.087 8 residues pruned to eliminate duplicates Z: 8 3.294 1.371 0.414 0.322 0.857 0.571 CB 0.911 Z: 19 14.605 1.788 0.464 0.596 0.944 0.667 CB 1.271 19 residues pruned to eliminate duplicates Z: 18 13.641 1.816 0.792 0.473 0.941 0.706 CA 1.110 19 residues pruned to eliminate duplicates Z: 6 4.081 1.413 0.542 0.815 0.800 0.800 CA 0.796 Z: 27 13.585 1.881 0.481 0.395 0.846 0.538 CB 1.263 27 residues pruned to eliminate duplicates Z: 7 3.788 1.268 0.351 0.751 1.000 0.667 C 0.721 Z: 11 19.357 2.111 0.706 0.859 0.900 0.600 CA 1.389 11 residues pruned to eliminate duplicates Z: 16 5.471 1.749 0.339 0.268 0.867 0.533 CB 0.905 16 residues pruned to eliminate duplicates Z: 8 10.343 1.748 0.602 0.599 1.000 0.571 CA 1.270 8 residues pruned to eliminate duplicates Z: 9 7.000 1.931 0.768 0.617 0.875 0.625 CB 0.742 9 residues pruned to eliminate duplicates Z: 11 8.304 1.753 0.500 0.523 0.800 0.600 CA 1.220 11 residues pruned to eliminate duplicates Z: 10 5.838 1.556 0.345 0.489 0.889 0.667 CB 1.058 9 residues pruned to eliminate duplicates Z: 19 30.359 2.056 0.812 0.931 1.000 0.778 CB 1.342 19 residues pruned to eliminate duplicates Z: 9 7.373 1.682 0.429 0.445 0.875 0.500 CA 1.312 9 residues pruned to eliminate duplicates 6 1.857 1.306 0.436 0.347 0.600 0.600 C 0.871 ? Z: 17 13.478 2.056 0.742 0.413 0.812 0.562 CB 1.268 17 residues pruned to eliminate duplicates Z: 10 11.086 1.809 0.822 0.452 1.000 0.556 CB 1.178 11 residues pruned to eliminate duplicates 6 1.042 1.315 0.353 0.299 0.600 0.600 CB 0.546 ? Z: 13 9.827 1.778 0.300 0.620 1.000 0.750 CB 1.095 13 residues pruned to eliminate duplicates Z: 7 5.734 1.710 0.471 0.580 0.667 0.667 CB 1.293 7 residues pruned to eliminate duplicates Z: 16 6.171 1.730 0.131 0.204 0.800 0.533 CB 1.447 16 residues pruned to eliminate duplicates Z: 11 12.403 1.891 0.391 0.881 1.000 0.800 CB 1.080 11 residues pruned to eliminate duplicates Z: 6 7.297 1.759 0.813 0.821 0.800 0.600 CB 0.968 Z: 11 9.098 2.042 0.441 0.331 0.900 0.600 CA 1.307 11 residues pruned to eliminate duplicates Z: 16 13.961 1.886 0.564 0.517 0.933 0.800 CB 1.287 16 residues pruned to eliminate duplicates Z: 34 15.082 1.819 0.516 0.331 0.848 0.455 CB 1.350 34 residues pruned to eliminate duplicates Z: 10 6.636 1.504 0.359 0.588 0.778 0.778 N 1.278 6 1.970 1.162 0.506 0.473 0.800 0.400 CA 0.646 ? Z: 24 17.952 1.938 0.577 0.501 0.870 0.435 CB 1.408 24 residues pruned to eliminate duplicates Z: 7 5.485 1.414 0.509 0.517 1.000 0.667 O 1.032 7 residues pruned to eliminate duplicates Z: 7 2.240 1.581 0.079 0.217 0.667 0.500 CA 1.121 7 1.589 1.408 -0.029 0.322 0.833 0.500 CB 0.692 ? 6 1.785 1.466 0.500 0.468 0.600 0.600 CA 0.625 ? Z: 15 7.209 1.699 0.435 0.378 0.857 0.500 CB 1.050 15 residues pruned to eliminate duplicates Z: 9 3.650 1.272 0.520 0.331 0.875 0.625 CA 0.918 Z: 18 9.337 1.690 0.516 0.199 0.941 0.412 CB 1.344 34 residues pruned to eliminate duplicates Z: 6 3.173 1.669 0.046 0.339 0.800 0.600 CA 1.210 Z: 6 4.962 1.478 0.555 0.471 0.800 0.600 CB 1.243 Z: 27 10.354 1.704 0.575 0.265 0.808 0.385 CB 1.225 27 residues pruned to eliminate duplicates Z: 13 9.310 1.716 0.072 0.819 1.000 0.917 CB 1.107 13 residues pruned to eliminate duplicates Z: 6 3.663 1.421 0.404 0.481 0.800 0.600 N 1.047 Z: 8 4.960 1.427 0.502 0.585 0.857 0.857 CB 0.941 Z: 45 34.608 2.090 0.564 0.631 0.955 0.795 CB 1.478 45 residues pruned to eliminate duplicates Z: 8 5.963 1.662 0.373 0.497 0.857 0.571 CB 1.156 8 residues pruned to eliminate duplicates 6 1.825 1.249 0.733 0.299 0.800 0.600 CB 0.590 ? Z: 7 2.346 1.549 0.433 0.250 0.667 0.500 CA 0.863 Z: 6 2.220 1.610 0.063 0.323 0.600 0.400 N 1.175 Z: 11 10.551 1.822 0.729 0.487 0.900 0.500 CB 1.192 11 residues pruned to eliminate duplicates Z: 10 3.125 1.324 0.218 0.466 0.778 0.667 CB 0.859 Z: 22 14.950 1.839 0.516 0.533 1.000 0.762 CB 1.133 33 residues pruned to eliminate duplicates Z: 37 15.491 1.863 0.527 0.343 0.833 0.444 CB 1.291 34 residues pruned to eliminate duplicates Z: 6 6.264 1.578 0.639 0.617 0.800 0.600 CA 1.212 Z: 6 10.918 1.915 0.396 0.771 1.000 0.600 CA 1.437 12 residues pruned to eliminate duplicates Z: 17 11.134 1.772 0.519 0.380 0.875 0.688 CA 1.342 17 residues pruned to eliminate duplicates Z: 9 4.279 1.544 0.466 0.255 0.750 0.500 N 1.181 Using tripeptides from previous cycle as seeds Z: 8 8.247 1.793 0.630 0.602 0.857 0.571 CA 1.130 8 residues pruned to eliminate duplicates Z: 6 2.003 1.545 0.321 0.348 0.600 0.600 CA 0.863 6 residues pruned to eliminate duplicates Z: 9 10.149 1.699 0.709 0.612 0.875 0.625 CA 1.270 9 residues pruned to eliminate duplicates Z: 8 9.983 1.790 0.590 0.693 0.857 0.571 CA 1.297 8 residues pruned to eliminate duplicates Z: 8 12.581 1.986 0.456 0.471 1.000 0.857 CA 1.693 8 residues pruned to eliminate duplicates Z: 8 14.322 1.994 0.780 0.482 1.000 0.714 CA 1.554 8 residues pruned to eliminate duplicates Z: 10 9.197 1.836 0.532 0.353 0.889 0.444 N 1.438 10 residues pruned to eliminate duplicates Z: 8 8.653 1.831 0.871 0.536 0.714 0.429 CA 1.290 8 residues pruned to eliminate duplicates Z: 9 9.768 1.793 0.482 0.423 1.000 0.500 CB 1.407 9 residues pruned to eliminate duplicates Z: 11 8.351 1.819 0.674 0.437 0.700 0.700 CA 1.323 Z: 9 8.023 1.757 0.659 0.473 0.750 0.375 CA 1.334 21 residues pruned to eliminate duplicates Z: 12 10.143 1.807 0.654 0.484 0.818 0.727 CB 1.271 11 residues pruned to eliminate duplicates Z: 6 6.794 1.800 0.568 0.406 0.800 0.400 C 1.485 6 residues pruned to eliminate duplicates Z: 7 6.097 1.543 1.000 0.289 0.833 0.333 CB 1.226 11 residues pruned to eliminate duplicates Z: 6 6.179 1.650 0.829 0.307 0.800 0.600 CA 1.418 Z: 6 2.941 1.295 0.764 0.346 0.800 0.600 N 0.851 6 residues pruned to eliminate duplicates Z: 9 6.523 1.829 0.599 0.361 0.875 0.375 CB 1.047 6 residues pruned to eliminate duplicates Z: 6 6.298 1.684 0.519 0.282 1.000 0.600 CB 1.408 6 residues pruned to eliminate duplicates Z: 7 6.212 1.545 0.705 0.423 0.833 0.333 N 1.251 7 residues pruned to eliminate duplicates Z: 8 5.600 1.810 0.712 0.454 0.857 0.714 CB 0.835 7 residues pruned to eliminate duplicates Z: 6 6.251 1.628 0.919 0.423 0.800 0.400 CA 1.212 6 residues pruned to eliminate duplicates Z: 16 20.267 1.915 0.906 0.513 1.000 0.733 CB 1.416 16 residues pruned to eliminate duplicates Z: 6 5.838 1.568 0.902 0.404 1.000 0.800 CA 0.968 7 residues pruned to eliminate duplicates Z: 6 2.674 1.316 0.254 0.292 1.000 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 13 9.941 1.902 0.390 0.471 0.917 0.500 CB 1.219 18 residues pruned to eliminate duplicates Z: 6 4.674 1.433 0.850 0.573 0.800 0.200 CB 0.919 6 residues pruned to eliminate duplicates Z: 13 9.351 1.810 0.755 0.342 0.750 0.417 CA 1.346 13 residues pruned to eliminate duplicates Z: 14 8.520 1.855 0.536 0.401 0.769 0.385 CB 1.197 14 residues pruned to eliminate duplicates Z: 15 8.653 1.890 0.412 0.397 0.786 0.357 CB 1.229 15 residues pruned to eliminate duplicates Z: 14 7.924 1.703 0.792 0.301 0.769 0.462 CB 1.169 14 residues pruned to eliminate duplicates Z: 12 7.405 1.946 0.453 0.326 0.818 0.455 CB 1.169 12 residues pruned to eliminate duplicates Z: 14 8.113 1.922 0.604 0.341 0.692 0.462 CB 1.254 14 residues pruned to eliminate duplicates Z: 14 9.443 1.818 0.747 0.438 0.769 0.308 CB 1.143 14 residues pruned to eliminate duplicates Z: 9 11.668 2.013 0.966 0.516 0.875 0.500 CB 1.173 9 residues pruned to eliminate duplicates Z: 6 5.205 1.481 0.681 0.437 1.000 0.400 N 0.998 6 residues pruned to eliminate duplicates Z: 14 8.025 1.956 0.566 0.358 0.692 0.308 CB 1.224 14 residues pruned to eliminate duplicates Z: 14 5.433 1.807 0.298 0.308 0.769 0.538 CB 1.034 14 residues pruned to eliminate duplicates Z: 15 5.017 1.732 0.249 0.289 0.786 0.429 CB 1.000 15 residues pruned to eliminate duplicates Z: 7 2.051 1.596 0.338 0.152 0.500 0.333 C 1.203 7 residues pruned to eliminate duplicates Z: 9 5.862 1.646 0.476 0.378 0.750 0.500 CB 1.295 9 residues pruned to eliminate duplicates Z: 21 10.851 1.855 0.599 0.349 0.800 0.400 CB 1.205 20 residues pruned to eliminate duplicates Z: 6 5.328 1.975 0.563 0.346 0.600 0.600 CA 1.521 6 residues pruned to eliminate duplicates Z: 32 21.136 1.898 0.616 0.482 0.935 0.581 CA 1.347 32 residues pruned to eliminate duplicates Z: 20 13.936 1.837 0.649 0.436 0.895 0.579 CB 1.261 20 residues pruned to eliminate duplicates Z: 17 12.038 1.874 0.499 0.385 0.875 0.562 CB 1.384 17 residues pruned to eliminate duplicates Z: 19 15.412 1.913 0.663 0.476 0.944 0.611 CB 1.239 19 residues pruned to eliminate duplicates Z: 23 13.032 1.824 0.420 0.509 0.864 0.500 CB 1.231 23 residues pruned to eliminate duplicates Z: 19 12.907 1.865 0.572 0.436 0.889 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 15 12.948 1.934 0.522 0.442 0.857 0.571 CB 1.456 15 residues pruned to eliminate duplicates Z: 21 14.300 1.865 0.619 0.502 0.900 0.600 CB 1.175 21 residues pruned to eliminate duplicates Z: 20 17.319 1.915 0.676 0.479 0.947 0.474 CB 1.334 20 residues pruned to eliminate duplicates Z: 32 18.561 1.864 0.625 0.497 0.903 0.613 CB 1.222 32 residues pruned to eliminate duplicates Z: 21 15.003 1.886 0.536 0.483 0.900 0.600 CA 1.309 21 residues pruned to eliminate duplicates Z: 20 16.205 1.886 0.728 0.528 0.947 0.632 CB 1.171 21 residues pruned to eliminate duplicates Z: 6 3.413 1.406 1.223 0.381 1.000 0.800 CA 0.554 6 residues pruned to eliminate duplicates Z: 7 6.306 1.735 0.954 0.488 1.000 0.500 CA 0.769 7 residues pruned to eliminate duplicates Z: 6 8.875 1.836 0.626 0.589 1.000 0.800 CB 1.222 6 residues pruned to eliminate duplicates Z: 18 12.145 1.803 0.624 0.558 0.882 0.706 CA 1.078 18 residues pruned to eliminate duplicates Z: 37 16.318 1.819 0.477 0.436 0.833 0.528 CB 1.298 37 residues pruned to eliminate duplicates Z: 33 19.894 1.864 0.601 0.465 0.938 0.656 CB 1.303 32 residues pruned to eliminate duplicates Z: 6 3.036 1.236 1.305 0.290 1.000 0.200 CA 0.603 6 residues pruned to eliminate duplicates Z: 12 11.734 1.833 0.592 0.560 0.909 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 12 11.466 1.885 0.638 0.502 0.909 0.636 CA 1.229 12 residues pruned to eliminate duplicates Z: 11 13.004 1.890 0.634 0.602 1.000 0.700 CA 1.208 11 residues pruned to eliminate duplicates Z: 12 10.522 1.880 0.512 0.539 0.909 0.727 CA 1.182 11 residues pruned to eliminate duplicates Z: 6 2.027 1.326 0.550 0.381 0.800 0.600 CA 0.625 6 residues pruned to eliminate duplicates Z: 11 12.521 1.798 0.730 0.610 1.000 0.700 CA 1.147 11 residues pruned to eliminate duplicates Z: 17 9.638 1.677 0.533 0.457 0.812 0.500 CA 1.204 17 residues pruned to eliminate duplicates Z: 12 10.387 1.852 0.520 0.529 0.909 0.727 CA 1.189 12 residues pruned to eliminate duplicates Z: 21 30.905 2.016 0.693 0.878 0.950 0.600 CB 1.545 21 residues pruned to eliminate duplicates Z: 36 33.151 2.040 0.707 0.645 0.886 0.629 CB 1.587 42 residues pruned to eliminate duplicates Z: 16 22.661 1.985 0.909 0.865 0.800 0.533 CB 1.413 16 residues pruned to eliminate duplicates Z: 30 30.848 1.992 0.898 0.637 0.966 0.517 CB 1.380 30 residues pruned to eliminate duplicates Z: 36 32.088 2.028 0.756 0.632 0.857 0.543 CB 1.570 36 residues pruned to eliminate duplicates Z: 21 33.935 2.001 0.890 0.891 0.900 0.550 CB 1.603 21 residues pruned to eliminate duplicates Z: 32 34.526 2.050 0.776 0.688 0.935 0.548 CB 1.533 32 residues pruned to eliminate duplicates Z: 40 29.941 1.997 0.709 0.627 0.821 0.436 CB 1.519 40 residues pruned to eliminate duplicates Z: 31 33.035 2.063 0.778 0.680 0.933 0.600 CB 1.493 31 residues pruned to eliminate duplicates Z: 36 29.182 1.975 0.803 0.611 0.886 0.429 CB 1.408 36 residues pruned to eliminate duplicates Z: 44 33.280 2.021 0.659 0.733 0.884 0.395 CB 1.389 44 residues pruned to eliminate duplicates Z: 46 36.999 2.019 0.765 0.696 0.933 0.400 CB 1.386 46 residues pruned to eliminate duplicates Z: 43 37.469 1.965 0.800 0.695 0.952 0.595 CB 1.437 43 residues pruned to eliminate duplicates Z: 64 40.626 2.020 0.797 0.591 0.889 0.444 CB 1.454 64 residues pruned to eliminate duplicates Z: 22 14.117 1.769 0.480 0.544 0.905 0.571 CB 1.246 22 residues pruned to eliminate duplicates Z: 35 30.730 2.039 0.833 0.701 0.853 0.500 CB 1.376 35 residues pruned to eliminate duplicates Z: 52 39.393 2.001 0.819 0.654 0.882 0.647 CA 1.488 52 residues pruned to eliminate duplicates Z: 9 4.065 1.533 0.107 0.405 0.875 0.625 CA 1.069 9 residues pruned to eliminate duplicates Z: 60 43.966 2.065 0.733 0.632 0.915 0.695 CB 1.544 60 residues pruned to eliminate duplicates Z: 63 39.522 2.039 0.760 0.612 0.871 0.548 CB 1.444 63 residues pruned to eliminate duplicates Z: 19 15.531 1.844 0.403 0.646 0.944 0.667 CB 1.307 19 residues pruned to eliminate duplicates Z: 38 25.315 1.974 0.676 0.498 0.919 0.568 CA 1.371 38 residues pruned to eliminate duplicates Z: 43 34.532 2.010 0.736 0.685 0.881 0.524 CB 1.463 43 residues pruned to eliminate duplicates Z: 63 40.104 1.997 0.729 0.581 0.903 0.516 CB 1.511 46 residues pruned to eliminate duplicates Z: 12 17.535 1.893 0.603 0.796 1.000 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 47 37.802 2.013 0.708 0.674 0.935 0.543 CB 1.477 47 residues pruned to eliminate duplicates Z: 45 33.754 1.982 0.731 0.678 0.932 0.477 CB 1.352 45 residues pruned to eliminate duplicates Z: 65 42.307 2.048 0.723 0.572 0.922 0.391 CB 1.516 65 residues pruned to eliminate duplicates Z: 66 38.956 1.999 0.755 0.579 0.908 0.554 CB 1.406 66 residues pruned to eliminate duplicates Z: 61 34.862 2.009 0.685 0.521 0.883 0.550 CB 1.474 38 residues pruned to eliminate duplicates Z: 8 3.328 1.508 0.555 0.242 0.857 0.143 CB 0.844 6 residues pruned to eliminate duplicates Z: 11 6.882 1.745 0.733 0.248 0.900 0.200 CB 1.069 8 residues pruned to eliminate duplicates Z: 7 4.657 1.710 0.449 0.412 0.833 0.667 CA 1.009 Z: 14 21.391 2.045 0.474 0.796 0.923 0.846 CB 1.645 14 residues pruned to eliminate duplicates Z: 39 22.801 1.944 0.440 0.580 0.868 0.632 CB 1.408 39 residues pruned to eliminate duplicates Z: 26 30.081 2.048 0.686 0.733 0.920 0.800 CB 1.536 26 residues pruned to eliminate duplicates Z: 32 27.254 2.024 0.525 0.643 0.903 0.806 CA 1.536 32 residues pruned to eliminate duplicates Z: 31 29.099 2.030 0.565 0.654 0.967 0.833 CA 1.499 31 residues pruned to eliminate duplicates Z: 15 14.517 1.853 0.504 0.520 0.929 0.286 CB 1.469 Z: 8 8.508 1.883 0.166 0.807 0.714 0.286 O 1.568 8 residues pruned to eliminate duplicates Z: 29 19.300 2.017 0.672 0.395 0.786 0.464 CB 1.537 44 residues pruned to eliminate duplicates Z: 74 38.129 1.956 0.729 0.572 0.877 0.548 CB 1.403 74 residues pruned to eliminate duplicates Z: 13 16.953 1.858 0.605 0.548 1.000 0.583 CB 1.566 Z: 9 13.731 1.900 0.447 0.681 1.000 0.375 CB 1.496 9 residues pruned to eliminate duplicates Z: 14 13.529 1.878 0.775 0.472 0.846 0.462 CB 1.368 14 residues pruned to eliminate duplicates Z: 10 6.287 1.752 0.267 0.479 0.889 0.556 CB 1.084 Z: 6 2.378 1.192 0.654 0.398 1.000 0.400 CA 0.600 6 residues pruned to eliminate duplicates Z: 9 8.667 1.787 0.358 0.552 1.000 0.625 CB 1.200 10 residues pruned to eliminate duplicates Z: 8 10.872 1.848 1.018 0.782 0.857 0.143 CB 1.003 8 residues pruned to eliminate duplicates Z: 8 6.548 1.774 0.586 0.605 0.714 0.571 CB 1.114 8 residues pruned to eliminate duplicates Z: 7 7.912 1.766 0.766 0.800 0.833 0.667 CA 0.956 7 residues pruned to eliminate duplicates Z: 6 9.114 1.918 0.875 0.775 0.800 0.400 CB 1.111 6 residues pruned to eliminate duplicates Z: 11 8.887 1.765 0.781 0.455 0.800 0.500 CB 1.170 7 residues pruned to eliminate duplicates Z: 9 7.865 1.800 0.672 0.515 0.875 0.375 CA 1.041 9 residues pruned to eliminate duplicates Z: 6 5.009 1.683 0.252 0.619 0.800 0.600 CA 1.187 6 residues pruned to eliminate duplicates Z: 13 9.695 1.790 0.425 0.564 0.917 0.750 CB 1.126 12 residues pruned to eliminate duplicates Z: 6 2.670 1.332 0.466 0.460 0.800 0.400 CA 0.797 6 residues pruned to eliminate duplicates Z: 34 13.740 1.881 0.505 0.370 0.879 0.606 CB 1.105 34 residues pruned to eliminate duplicates Z: 24 13.966 1.922 0.632 0.376 0.870 0.609 CB 1.218 24 residues pruned to eliminate duplicates Z: 38 17.077 1.825 0.646 0.389 0.892 0.514 CB 1.178 35 residues pruned to eliminate duplicates Z: 6 5.779 1.861 0.308 0.540 1.000 0.400 CB 1.021 6 residues pruned to eliminate duplicates Z: 27 14.570 1.934 0.620 0.318 0.846 0.577 CB 1.318 27 residues pruned to eliminate duplicates Z: 26 13.120 1.809 0.578 0.401 0.920 0.640 CB 1.109 26 residues pruned to eliminate duplicates Z: 25 12.469 1.910 0.531 0.316 0.833 0.583 CB 1.279 25 residues pruned to eliminate duplicates Z: 25 12.690 1.864 0.457 0.390 0.917 0.625 CB 1.170 25 residues pruned to eliminate duplicates Z: 34 17.974 1.936 0.598 0.387 0.909 0.606 CB 1.254 36 residues pruned to eliminate duplicates Z: 8 6.343 1.670 0.591 0.502 0.714 0.571 CB 1.262 8 residues pruned to eliminate duplicates Z: 34 15.885 1.911 0.593 0.387 0.879 0.667 CB 1.165 34 residues pruned to eliminate duplicates Z: 27 13.482 1.896 0.481 0.337 0.846 0.538 CB 1.330 27 residues pruned to eliminate duplicates Z: 17 12.658 2.033 0.442 0.411 0.875 0.688 CB 1.354 17 residues pruned to eliminate duplicates Z: 24 14.511 1.929 0.450 0.368 0.913 0.609 CB 1.365 24 residues pruned to eliminate duplicates Z: 23 16.779 2.007 0.498 0.407 0.955 0.545 CB 1.374 23 residues pruned to eliminate duplicates Z: 25 14.774 1.907 0.538 0.364 0.917 0.625 CB 1.299 24 residues pruned to eliminate duplicates 7 1.886 1.349 0.185 0.534 1.000 1.000 CB 0.466 ? Z: 6 4.899 1.497 0.623 0.314 1.000 0.200 CA 1.108 Z: 6 5.491 1.593 0.416 0.351 1.000 0.600 CA 1.279 Z: 44 33.675 2.019 0.492 0.667 0.977 0.698 CA 1.496 44 residues pruned to eliminate duplicates Z: 35 28.995 2.036 0.510 0.597 0.971 0.765 CA 1.520 41 residues pruned to eliminate duplicates Z: 34 27.986 2.041 0.527 0.616 0.970 0.667 CA 1.444 34 residues pruned to eliminate duplicates Z: 35 29.533 2.051 0.558 0.651 0.912 0.618 CA 1.511 35 residues pruned to eliminate duplicates Z: 33 31.029 2.070 0.591 0.658 0.938 0.625 CA 1.534 33 residues pruned to eliminate duplicates Z: 34 30.978 2.075 0.618 0.653 0.939 0.758 CA 1.483 34 residues pruned to eliminate duplicates Z: 34 33.007 2.091 0.640 0.640 0.970 0.667 CA 1.516 34 residues pruned to eliminate duplicates Z: 72 44.315 2.074 0.622 0.606 0.944 0.662 CA 1.497 75 residues pruned to eliminate duplicates Z: 18 33.309 2.127 0.826 0.916 1.000 0.824 CA 1.469 18 residues pruned to eliminate duplicates Z: 40 36.833 2.068 0.676 0.714 0.949 0.615 CA 1.477 40 residues pruned to eliminate duplicates Z: 73 41.428 2.071 0.627 0.577 0.903 0.625 CA 1.490 73 residues pruned to eliminate duplicates Z: 41 27.073 1.992 0.520 0.544 0.925 0.625 CA 1.464 41 residues pruned to eliminate duplicates Z: 35 32.500 2.059 0.712 0.635 0.941 0.676 CA 1.480 35 residues pruned to eliminate duplicates Z: 37 30.399 2.017 0.687 0.581 0.944 0.667 CA 1.458 37 residues pruned to eliminate duplicates Z: 39 32.702 2.006 0.768 0.601 0.947 0.658 CA 1.434 39 residues pruned to eliminate duplicates Z: 74 43.273 2.055 0.707 0.566 0.890 0.534 CA 1.521 74 residues pruned to eliminate duplicates Z: 26 30.004 2.070 0.817 0.719 0.920 0.720 CA 1.423 26 residues pruned to eliminate duplicates Z: 42 40.677 2.062 0.784 0.698 0.951 0.659 CA 1.516 42 residues pruned to eliminate duplicates Z: 36 31.423 2.046 0.700 0.604 0.943 0.714 CA 1.466 36 residues pruned to eliminate duplicates Z: 38 28.089 2.017 0.607 0.588 0.919 0.622 CA 1.424 38 residues pruned to eliminate duplicates Z: 42 36.792 2.046 0.727 0.716 0.927 0.707 CA 1.443 42 residues pruned to eliminate duplicates Z: 53 35.405 2.021 0.637 0.496 0.942 0.596 CB 1.580 53 residues pruned to eliminate duplicates Z: 35 32.398 2.046 0.743 0.628 0.912 0.529 CA 1.514 35 residues pruned to eliminate duplicates Z: 47 41.918 2.078 0.818 0.688 0.935 0.609 CA 1.472 47 residues pruned to eliminate duplicates Z: 35 33.882 2.056 0.849 0.631 0.941 0.647 CA 1.436 35 residues pruned to eliminate duplicates Z: 61 36.470 2.045 0.625 0.522 0.900 0.533 CB 1.541 36 residues pruned to eliminate duplicates Z: 15 15.510 1.838 0.782 0.781 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 72 40.141 2.058 0.641 0.554 0.915 0.577 CA 1.463 72 residues pruned to eliminate duplicates Z: 41 24.020 2.003 0.577 0.434 0.875 0.425 CA 1.472 41 residues pruned to eliminate duplicates Z: 43 39.319 2.061 0.729 0.701 0.952 0.738 CA 1.488 43 residues pruned to eliminate duplicates Z: 45 38.355 2.015 0.742 0.676 0.955 0.682 CA 1.468 45 residues pruned to eliminate duplicates Z: 42 40.111 2.055 0.764 0.691 0.976 0.683 CA 1.487 42 residues pruned to eliminate duplicates Z: 11 20.335 2.047 0.805 0.699 0.900 0.500 CA 1.613 11 residues pruned to eliminate duplicates Z: 73 46.282 2.075 0.742 0.579 0.903 0.542 CA 1.548 73 residues pruned to eliminate duplicates Z: 34 19.377 2.070 0.507 0.380 0.788 0.485 CB 1.559 34 residues pruned to eliminate duplicates Z: 48 33.524 2.056 0.650 0.648 0.872 0.553 CA 1.439 48 residues pruned to eliminate duplicates Z: 74 39.198 2.045 0.648 0.563 0.877 0.521 CA 1.461 74 residues pruned to eliminate duplicates Z: 62 36.761 2.054 0.637 0.562 0.869 0.525 CA 1.517 62 residues pruned to eliminate duplicates Z: 21 19.683 2.072 0.581 0.590 0.800 0.600 CA 1.541 21 residues pruned to eliminate duplicates Z: 33 18.361 2.007 0.399 0.419 0.844 0.562 CA 1.492 33 residues pruned to eliminate duplicates Z: 39 19.733 1.996 0.579 0.389 0.763 0.474 CB 1.498 39 residues pruned to eliminate duplicates Z: 34 21.572 2.030 0.628 0.402 0.788 0.364 CB 1.599 34 residues pruned to eliminate duplicates Z: 33 17.821 2.013 0.507 0.358 0.781 0.469 CA 1.548 33 residues pruned to eliminate duplicates Z: 42 25.407 2.067 0.540 0.503 0.805 0.390 CA 1.544 38 residues pruned to eliminate duplicates Z: 10 10.711 2.069 0.519 0.582 0.778 0.333 CA 1.350 10 residues pruned to eliminate duplicates Z: 28 16.168 1.944 0.557 0.285 0.815 0.370 CA 1.607 28 residues pruned to eliminate duplicates Z: 76 40.856 2.004 0.739 0.551 0.880 0.507 CA 1.464 76 residues pruned to eliminate duplicates Z: 15 10.357 2.028 0.352 0.478 0.714 0.571 CA 1.444 15 residues pruned to eliminate duplicates Z: 16 13.688 2.015 0.571 0.461 0.867 0.400 CA 1.341 16 residues pruned to eliminate duplicates Z: 9 11.585 1.916 0.779 0.803 0.875 0.375 CA 1.053 9 residues pruned to eliminate duplicates Z: 14 12.106 2.012 0.550 0.510 0.923 0.692 CA 1.155 14 residues pruned to eliminate duplicates Z: 16 12.707 1.932 0.521 0.580 0.933 0.533 CA 1.107 16 residues pruned to eliminate duplicates Z: 55 30.473 1.990 0.703 0.582 0.833 0.426 CA 1.357 55 residues pruned to eliminate duplicates Z: 17 9.639 1.855 0.333 0.463 0.875 0.562 CA 1.157 15 residues pruned to eliminate duplicates Z: 8 3.738 1.701 0.704 0.515 0.857 0.714 CB 0.560 8 residues pruned to eliminate duplicates Z: 30 14.446 2.039 0.495 0.320 0.828 0.448 CB 1.296 21 residues pruned to eliminate duplicates Z: 6 7.074 2.202 0.594 0.295 1.000 0.600 CB 1.134 6 residues pruned to eliminate duplicates Z: 29 16.493 2.084 0.444 0.391 0.857 0.536 CB 1.356 29 residues pruned to eliminate duplicates Z: 29 14.610 2.005 0.443 0.317 0.857 0.571 CB 1.363 12 residues pruned to eliminate duplicates Z: 7 2.672 1.581 0.191 0.553 0.833 0.500 CA 0.661 7 residues pruned to eliminate duplicates Z: 36 13.547 1.960 0.439 0.332 0.800 0.514 CB 1.219 36 residues pruned to eliminate duplicates Z: 34 17.369 1.995 0.553 0.333 0.848 0.424 CB 1.381 27 residues pruned to eliminate duplicates Z: 7 7.154 1.727 0.587 0.400 1.000 0.500 CA 1.184 Z: 9 9.497 1.504 0.635 0.634 1.000 0.750 CA 1.204 Z: 29 13.955 2.057 0.471 0.371 0.821 0.429 CB 1.218 38 residues pruned to eliminate duplicates Z: 21 14.844 2.004 0.404 0.436 0.850 0.450 CB 1.483 25 residues pruned to eliminate duplicates Z: 7 3.205 1.516 0.610 0.355 0.500 0.333 N 1.254 Z: 23 12.495 1.971 0.329 0.424 0.818 0.591 CB 1.345 23 residues pruned to eliminate duplicates Z: 31 14.895 2.049 0.491 0.369 0.767 0.467 CB 1.336 32 residues pruned to eliminate duplicates Z: 7 8.129 1.683 1.033 0.435 0.833 0.667 CA 1.245 Z: 21 12.420 1.989 0.329 0.414 0.850 0.600 CB 1.352 28 residues pruned to eliminate duplicates Z: 14 9.788 1.756 0.407 0.378 0.923 0.538 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 10.891 1.752 0.486 0.363 0.923 0.538 CA 1.456 14 residues pruned to eliminate duplicates Z: 19 12.302 1.726 0.478 0.334 1.000 0.722 CB 1.361 17 residues pruned to eliminate duplicates Z: 7 4.658 1.738 0.198 0.406 1.000 0.500 CA 1.008 7 residues pruned to eliminate duplicates Z: 27 12.465 1.875 0.477 0.321 0.923 0.577 CB 1.165 27 residues pruned to eliminate duplicates Z: 32 11.621 1.852 0.257 0.387 0.903 0.516 CB 1.119 32 residues pruned to eliminate duplicates Z: 17 7.859 1.949 0.258 0.310 0.875 0.688 CB 1.131 17 residues pruned to eliminate duplicates Z: 22 9.302 1.838 0.176 0.343 0.905 0.476 CB 1.231 22 residues pruned to eliminate duplicates Z: 19 8.665 1.891 0.315 0.260 0.944 0.556 CB 1.144 19 residues pruned to eliminate duplicates Z: 35 13.903 1.898 0.413 0.349 0.824 0.676 CB 1.272 35 residues pruned to eliminate duplicates Z: 21 9.941 1.840 0.322 0.319 0.850 0.550 CB 1.313 21 residues pruned to eliminate duplicates Z: 24 11.077 1.891 0.382 0.292 0.870 0.609 CB 1.283 24 residues pruned to eliminate duplicates Z: 20 10.211 1.900 0.391 0.322 0.895 0.632 CB 1.205 20 residues pruned to eliminate duplicates Z: 34 18.919 1.922 0.546 0.412 0.939 0.667 CB 1.294 34 residues pruned to eliminate duplicates Z: 33 18.523 1.909 0.586 0.379 0.938 0.688 CA 1.311 33 residues pruned to eliminate duplicates Z: 29 17.026 1.960 0.426 0.412 0.964 0.536 CB 1.309 29 residues pruned to eliminate duplicates Z: 33 16.411 1.885 0.452 0.347 0.969 0.656 CB 1.292 33 residues pruned to eliminate duplicates Z: 26 11.678 1.860 0.453 0.307 0.880 0.600 CA 1.217 26 residues pruned to eliminate duplicates Z: 35 18.029 1.889 0.542 0.378 0.941 0.529 CB 1.285 35 residues pruned to eliminate duplicates Z: 16 17.428 1.885 0.772 0.507 0.933 0.667 CA 1.434 16 residues pruned to eliminate duplicates Z: 15 13.004 1.952 0.635 0.441 0.786 0.571 CA 1.473 15 residues pruned to eliminate duplicates Z: 16 12.576 1.836 0.697 0.502 0.867 0.667 CB 1.200 16 residues pruned to eliminate duplicates Z: 16 14.353 1.822 0.839 0.424 0.867 0.467 CA 1.381 16 residues pruned to eliminate duplicates Z: 13 10.905 2.001 0.351 0.493 0.917 0.667 CA 1.279 13 residues pruned to eliminate duplicates Z: 14 9.368 1.979 0.291 0.479 0.923 0.615 CA 1.126 14 residues pruned to eliminate duplicates 6 1.496 1.539 -0.011 0.338 0.600 0.200 CA 0.874 ? Z: 6 2.378 1.373 0.308 0.481 0.800 0.600 CA 0.754 6 residues pruned to eliminate duplicates Z: 28 19.724 1.948 0.769 0.475 0.926 0.593 CB 1.220 28 residues pruned to eliminate duplicates Z: 31 18.730 1.945 0.643 0.455 0.900 0.600 CB 1.245 31 residues pruned to eliminate duplicates Z: 37 18.416 1.883 0.566 0.452 0.917 0.639 CB 1.193 37 residues pruned to eliminate duplicates Z: 14 9.301 1.974 0.419 0.456 1.000 0.846 CA 0.963 14 residues pruned to eliminate duplicates Z: 33 20.302 1.865 0.821 0.479 0.969 0.656 CB 1.115 30 residues pruned to eliminate duplicates Z: 6 3.928 1.603 0.015 0.590 0.800 0.400 O 1.239 6 residues pruned to eliminate duplicates Z: 23 11.395 1.877 0.233 0.409 0.909 0.591 CB 1.271 23 residues pruned to eliminate duplicates Z: 21 14.553 1.936 0.390 0.414 0.950 0.600 CA 1.392 21 residues pruned to eliminate duplicates Z: 24 12.238 1.835 0.220 0.421 0.957 0.565 CB 1.295 24 residues pruned to eliminate duplicates Z: 30 9.469 1.820 0.173 0.292 0.828 0.655 CB 1.256 30 residues pruned to eliminate duplicates Z: 21 10.449 1.910 0.180 0.405 0.900 0.650 CA 1.274 21 residues pruned to eliminate duplicates Z: 22 11.600 1.888 0.164 0.423 1.000 0.714 CB 1.248 22 residues pruned to eliminate duplicates Z: 21 11.968 1.933 0.293 0.408 0.850 0.650 CB 1.387 21 residues pruned to eliminate duplicates Z: 18 10.714 1.891 0.390 0.420 0.941 0.706 CB 1.142 18 residues pruned to eliminate duplicates Z: 26 10.438 1.987 0.385 0.269 0.720 0.560 CB 1.369 26 residues pruned to eliminate duplicates Z: 19 9.198 1.854 0.280 0.326 0.889 0.611 CB 1.245 19 residues pruned to eliminate duplicates Z: 21 12.786 1.904 0.295 0.379 0.950 0.600 CA 1.389 21 residues pruned to eliminate duplicates Z: 32 13.779 1.967 0.273 0.296 0.871 0.548 CA 1.426 39 residues pruned to eliminate duplicates Z: 6 3.570 1.540 0.316 0.272 0.800 0.400 N 1.275 6 residues pruned to eliminate duplicates Z: 15 10.206 1.988 0.378 0.271 0.929 0.571 CB 1.390 15 residues pruned to eliminate duplicates Z: 32 11.857 1.931 0.314 0.295 0.774 0.581 CB 1.365 32 residues pruned to eliminate duplicates Z: 21 9.931 2.012 0.345 0.284 0.800 0.600 CB 1.308 21 residues pruned to eliminate duplicates Z: 27 12.927 1.961 0.443 0.293 0.846 0.538 CB 1.336 27 residues pruned to eliminate duplicates Z: 6 4.768 2.167 0.356 0.488 0.600 0.600 CB 1.225 6 residues pruned to eliminate duplicates Z: 36 10.820 1.896 0.258 0.279 0.800 0.571 CB 1.231 36 residues pruned to eliminate duplicates Z: 31 12.692 1.942 0.449 0.294 0.800 0.600 CB 1.296 31 residues pruned to eliminate duplicates Z: 33 13.021 1.915 0.418 0.288 0.812 0.469 CB 1.323 33 residues pruned to eliminate duplicates Z: 10 8.548 2.107 0.514 0.364 0.778 0.667 CB 1.330 10 residues pruned to eliminate duplicates Z: 8 4.426 1.630 0.469 0.150 0.857 0.571 CB 1.253 8 residues pruned to eliminate duplicates Z: 30 12.311 1.988 0.291 0.316 0.828 0.586 CB 1.319 30 residues pruned to eliminate duplicates Z: 19 9.500 1.879 0.343 0.348 0.833 0.389 CB 1.256 19 residues pruned to eliminate duplicates Z: 18 12.948 1.936 0.438 0.460 0.882 0.588 CB 1.332 18 residues pruned to eliminate duplicates Z: 8 3.345 1.791 0.110 0.300 0.714 0.429 CB 1.113 8 residues pruned to eliminate duplicates Z: 17 8.771 1.925 0.508 0.377 0.750 0.500 CB 1.148 17 residues pruned to eliminate duplicates Z: 14 9.866 1.959 0.232 0.421 0.846 0.538 CA 1.455 14 residues pruned to eliminate duplicates Z: 11 9.289 2.037 0.493 0.431 0.800 0.600 CA 1.297 11 residues pruned to eliminate duplicates Z: 42 14.971 1.919 0.360 0.340 0.829 0.463 CB 1.286 42 residues pruned to eliminate duplicates Z: 14 11.585 1.954 0.652 0.422 0.846 0.615 CA 1.276 14 residues pruned to eliminate duplicates Z: 8 13.871 2.006 0.802 0.683 1.000 0.857 CB 1.226 8 residues pruned to eliminate duplicates Z: 10 10.698 1.826 0.540 0.621 0.889 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 13 13.933 1.953 0.762 0.455 0.833 0.750 CB 1.470 13 residues pruned to eliminate duplicates Z: 9 11.181 1.994 0.621 0.569 0.875 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 7 11.198 1.879 0.522 0.530 1.000 0.667 CA 1.553 7 residues pruned to eliminate duplicates Z: 25 11.138 1.587 0.491 0.339 0.917 0.458 CB 1.248 25 residues pruned to eliminate duplicates Z: 14 10.978 1.809 0.600 0.483 0.846 0.538 CB 1.265 14 residues pruned to eliminate duplicates Z: 18 11.771 1.922 0.341 0.462 0.824 0.706 CB 1.398 18 residues pruned to eliminate duplicates Z: 16 17.735 2.061 0.642 0.510 0.933 0.733 CB 1.436 16 residues pruned to eliminate duplicates Z: 11 16.799 1.966 0.713 0.528 1.000 1.000 CB 1.534 11 residues pruned to eliminate duplicates Z: 7 3.364 1.434 0.690 0.274 0.667 0.500 CA 1.098 7 residues pruned to eliminate duplicates Z: 9 15.524 2.005 0.798 0.612 0.875 0.875 CA 1.564 9 residues pruned to eliminate duplicates Z: 11 16.422 1.873 0.971 0.596 0.900 0.600 CA 1.426 11 residues pruned to eliminate duplicates Z: 12 12.958 1.928 0.679 0.543 0.909 0.636 CA 1.273 13 residues pruned to eliminate duplicates Z: 6 2.678 1.489 0.379 0.309 0.600 0.400 N 1.201 6 residues pruned to eliminate duplicates Z: 21 13.127 1.931 0.539 0.395 0.950 0.500 CB 1.162 21 residues pruned to eliminate duplicates Z: 20 10.408 1.943 0.530 0.360 0.895 0.526 CB 1.044 20 residues pruned to eliminate duplicates Z: 25 11.509 1.848 0.703 0.293 0.750 0.500 CB 1.255 25 residues pruned to eliminate duplicates Z: 22 11.103 1.831 0.533 0.275 0.905 0.286 CB 1.231 22 residues pruned to eliminate duplicates Z: 38 16.406 2.021 0.315 0.363 0.892 0.405 CB 1.319 38 residues pruned to eliminate duplicates Z: 20 8.826 1.829 0.545 0.309 0.789 0.474 CB 1.121 20 residues pruned to eliminate duplicates Z: 30 17.031 1.971 0.597 0.362 0.897 0.621 CB 1.300 30 residues pruned to eliminate duplicates Z: 16 11.574 1.891 0.634 0.394 0.867 0.600 CB 1.248 16 residues pruned to eliminate duplicates Z: 17 10.250 1.895 0.375 0.357 0.938 0.500 CB 1.225 17 residues pruned to eliminate duplicates Z: 42 15.310 1.824 0.804 0.319 0.805 0.463 CB 1.103 42 residues pruned to eliminate duplicates Z: 23 13.318 1.903 0.627 0.347 0.955 0.591 CB 1.135 23 residues pruned to eliminate duplicates Z: 14 12.324 1.961 0.765 0.418 0.923 0.692 CB 1.166 14 residues pruned to eliminate duplicates Z: 15 10.728 1.899 0.815 0.417 0.929 0.643 CB 0.977 15 residues pruned to eliminate duplicates Z: 37 18.325 2.016 0.579 0.361 0.889 0.611 CB 1.254 37 residues pruned to eliminate duplicates Z: 25 11.831 2.083 0.414 0.325 0.792 0.375 CB 1.255 25 residues pruned to eliminate duplicates Z: 9 5.871 1.969 0.923 0.166 0.750 0.500 N 1.097 9 residues pruned to eliminate duplicates Z: 22 11.118 1.853 0.618 0.305 0.952 0.429 CB 1.056 22 residues pruned to eliminate duplicates Z: 11 7.752 2.041 0.159 0.397 1.000 0.600 CB 1.155 11 residues pruned to eliminate duplicates Z: 38 17.539 2.031 0.505 0.318 0.838 0.486 CB 1.377 38 residues pruned to eliminate duplicates Z: 35 19.124 2.056 0.507 0.361 0.912 0.412 CB 1.348 35 residues pruned to eliminate duplicates Z: 26 14.703 2.095 0.471 0.300 0.880 0.480 CB 1.356 26 residues pruned to eliminate duplicates Z: 28 13.461 1.927 0.676 0.295 0.889 0.519 CB 1.135 28 residues pruned to eliminate duplicates Z: 31 15.976 1.991 0.555 0.406 0.900 0.300 CB 1.155 31 residues pruned to eliminate duplicates Z: 50 18.788 2.054 0.549 0.348 0.755 0.449 CB 1.317 50 residues pruned to eliminate duplicates Z: 38 19.485 2.002 0.514 0.386 0.892 0.541 CB 1.338 38 residues pruned to eliminate duplicates Z: 38 19.198 2.020 0.482 0.377 0.919 0.541 CB 1.309 38 residues pruned to eliminate duplicates Z: 40 17.200 1.988 0.478 0.371 0.872 0.487 CB 1.234 40 residues pruned to eliminate duplicates Z: 18 10.886 1.973 0.485 0.327 0.824 0.529 CB 1.323 18 residues pruned to eliminate duplicates Z: 16 12.469 2.054 0.555 0.378 0.933 0.333 CB 1.229 16 residues pruned to eliminate duplicates Z: 12 7.520 2.142 0.398 0.358 0.727 0.273 CB 1.214 12 residues pruned to eliminate duplicates Z: 27 14.815 2.103 0.577 0.318 0.808 0.385 CB 1.325 27 residues pruned to eliminate duplicates Z: 25 13.918 2.113 0.336 0.343 0.917 0.458 CB 1.303 25 residues pruned to eliminate duplicates Z: 22 11.271 1.912 0.437 0.297 0.857 0.333 CB 1.310 22 residues pruned to eliminate duplicates Z: 38 16.935 2.108 0.592 0.317 0.784 0.405 CB 1.296 38 residues pruned to eliminate duplicates Z: 52 22.375 2.039 0.674 0.332 0.804 0.412 CB 1.371 52 residues pruned to eliminate duplicates Z: 66 22.285 1.980 0.587 0.344 0.815 0.492 CB 1.278 66 residues pruned to eliminate duplicates Z: 9 5.792 1.714 0.599 0.324 0.750 0.375 CA 1.208 9 residues pruned to eliminate duplicates Z: 20 12.995 2.129 0.710 0.186 0.842 0.368 CA 1.417 20 residues pruned to eliminate duplicates Z: 19 13.035 2.115 0.732 0.190 0.778 0.444 CA 1.563 19 residues pruned to eliminate duplicates Z: 15 9.760 2.103 0.640 0.195 0.714 0.214 CB 1.525 15 residues pruned to eliminate duplicates Z: 18 15.314 1.994 0.665 0.388 0.882 0.471 CA 1.428 22 residues pruned to eliminate duplicates 7 1.158 1.673 0.063 0.157 0.333 0.000 CB 1.214 ? Z: 6 6.422 1.932 1.141 0.287 0.600 0.400 CB 1.470 6 residues pruned to eliminate duplicates Z: 18 13.110 2.133 0.794 0.180 0.882 0.471 CA 1.385 18 residues pruned to eliminate duplicates Z: 44 29.999 2.082 0.500 0.517 0.930 0.581 CB 1.549 68 residues pruned to eliminate duplicates Z: 7 3.732 1.503 0.429 0.349 0.667 0.167 C 1.254 7 residues pruned to eliminate duplicates Z: 59 22.608 2.045 0.622 0.304 0.828 0.466 CB 1.344 59 residues pruned to eliminate duplicates Z: 8 12.576 1.925 0.936 0.519 1.000 0.429 CA 1.252 8 residues pruned to eliminate duplicates Z: 9 8.830 1.717 0.943 0.343 1.000 0.625 CA 1.110 9 residues pruned to eliminate duplicates Z: 35 22.502 2.032 0.688 0.387 0.912 0.500 CB 1.391 35 residues pruned to eliminate duplicates Z: 54 37.075 2.170 0.667 0.444 0.943 0.491 CB 1.581 54 residues pruned to eliminate duplicates Z: 28 20.481 2.139 0.658 0.372 0.926 0.593 CB 1.376 28 residues pruned to eliminate duplicates Z: 32 17.369 2.031 0.540 0.358 0.871 0.581 CB 1.336 32 residues pruned to eliminate duplicates Z: 29 21.525 2.163 0.617 0.388 0.893 0.643 CB 1.467 29 residues pruned to eliminate duplicates Z: 48 33.568 2.164 0.627 0.492 0.936 0.638 CB 1.497 48 residues pruned to eliminate duplicates Z: 50 36.051 2.128 0.655 0.529 0.918 0.653 CA 1.547 50 residues pruned to eliminate duplicates Z: 55 34.686 2.059 0.611 0.516 0.944 0.667 CB 1.483 55 residues pruned to eliminate duplicates Z: 50 34.988 2.123 0.605 0.482 0.959 0.612 CB 1.557 50 residues pruned to eliminate duplicates Z: 26 34.373 2.139 0.548 0.729 1.000 0.840 CA 1.690 26 residues pruned to eliminate duplicates Z: 26 34.586 2.129 0.626 0.729 1.000 0.840 CA 1.627 26 residues pruned to eliminate duplicates Z: 23 30.114 2.228 0.470 0.655 1.000 0.818 CA 1.697 23 residues pruned to eliminate duplicates Z: 27 33.818 2.089 0.697 0.715 0.923 0.731 CA 1.669 27 residues pruned to eliminate duplicates Z: 26 33.217 2.077 0.590 0.745 0.960 0.880 CB 1.684 26 residues pruned to eliminate duplicates Z: 25 29.797 2.170 0.622 0.588 0.958 0.667 CB 1.657 25 residues pruned to eliminate duplicates Z: 28 36.228 2.077 0.772 0.757 0.963 0.815 CB 1.565 28 residues pruned to eliminate duplicates Z: 26 36.654 2.157 0.705 0.756 0.960 0.800 CB 1.652 26 residues pruned to eliminate duplicates Z: 37 31.276 2.092 0.595 0.598 0.944 0.611 CB 1.507 37 residues pruned to eliminate duplicates Z: 28 35.541 2.188 0.757 0.626 0.926 0.630 CB 1.707 28 residues pruned to eliminate duplicates Z: 30 27.679 2.011 0.581 0.644 0.931 0.690 CB 1.517 30 residues pruned to eliminate duplicates Z: 48 34.215 2.181 0.693 0.440 0.894 0.574 CB 1.609 48 residues pruned to eliminate duplicates Z: 31 29.597 2.017 0.660 0.640 0.933 0.800 CB 1.517 31 residues pruned to eliminate duplicates Z: 28 35.259 2.051 0.647 0.775 1.000 0.815 CB 1.575 28 residues pruned to eliminate duplicates Z: 24 35.886 2.141 0.847 0.652 1.000 0.696 CA 1.643 24 residues pruned to eliminate duplicates Z: 27 32.380 2.074 0.566 0.730 0.962 0.769 CA 1.653 27 residues pruned to eliminate duplicates Z: 28 38.757 2.059 0.871 0.754 1.000 0.741 CB 1.544 28 residues pruned to eliminate duplicates Z: 27 33.741 2.058 0.758 0.746 0.962 0.692 CA 1.528 27 residues pruned to eliminate duplicates Z: 28 36.282 2.081 0.700 0.771 0.963 0.778 CA 1.613 28 residues pruned to eliminate duplicates Z: 30 25.724 2.020 0.771 0.534 0.897 0.517 CB 1.441 30 residues pruned to eliminate duplicates Z: 24 34.247 2.208 0.718 0.676 0.957 0.826 CA 1.674 24 residues pruned to eliminate duplicates Z: 26 28.313 2.125 0.666 0.630 0.880 0.560 CA 1.610 26 residues pruned to eliminate duplicates Z: 51 37.911 2.212 0.689 0.472 0.920 0.640 CB 1.604 51 residues pruned to eliminate duplicates Z: 53 37.378 2.163 0.750 0.486 0.904 0.500 CB 1.537 53 residues pruned to eliminate duplicates Z: 54 37.648 2.145 0.759 0.464 0.925 0.547 CB 1.538 54 residues pruned to eliminate duplicates Z: 53 40.783 2.189 0.828 0.489 0.923 0.577 CB 1.548 53 residues pruned to eliminate duplicates Z: 21 9.278 1.930 0.637 0.210 0.900 0.350 CB 1.028 21 residues pruned to eliminate duplicates Z: 14 11.152 2.173 0.746 0.249 1.000 0.462 CB 1.089 14 residues pruned to eliminate duplicates Z: 53 39.222 2.182 0.745 0.493 0.923 0.596 CB 1.559 53 residues pruned to eliminate duplicates Z: 32 19.134 2.107 0.575 0.364 0.968 0.452 CB 1.238 32 residues pruned to eliminate duplicates Z: 27 21.881 2.209 0.630 0.447 0.885 0.654 CB 1.423 27 residues pruned to eliminate duplicates Z: 16 10.677 2.066 0.536 0.244 0.867 0.467 CB 1.347 16 residues pruned to eliminate duplicates Z: 53 38.585 2.170 0.750 0.481 0.904 0.519 CB 1.590 53 residues pruned to eliminate duplicates Z: 29 21.172 2.091 0.807 0.402 0.857 0.500 CB 1.369 29 residues pruned to eliminate duplicates Z: 31 24.007 2.131 0.682 0.417 0.933 0.533 CB 1.429 31 residues pruned to eliminate duplicates Z: 55 40.177 2.153 0.751 0.473 0.926 0.574 CB 1.609 55 residues pruned to eliminate duplicates Z: 20 14.758 2.047 0.642 0.412 0.789 0.526 CB 1.399 20 residues pruned to eliminate duplicates Z: 26 21.778 2.197 0.714 0.424 0.880 0.520 CB 1.422 27 residues pruned to eliminate duplicates Z: 38 18.884 1.941 0.788 0.298 0.838 0.405 CB 1.339 38 residues pruned to eliminate duplicates Z: 54 42.337 2.186 0.790 0.486 0.962 0.528 CB 1.565 53 residues pruned to eliminate duplicates Z: 7 4.342 1.395 0.309 0.471 1.000 0.833 CA 0.999 7 residues pruned to eliminate duplicates Z: 33 15.315 2.031 0.623 0.345 0.812 0.500 CB 1.196 33 residues pruned to eliminate duplicates Z: 6 5.529 1.717 1.215 0.480 1.000 0.800 CA 0.664 6 residues pruned to eliminate duplicates Z: 11 10.553 2.000 0.580 0.454 0.900 0.700 CB 1.229 11 residues pruned to eliminate duplicates Z: 6 3.917 1.810 0.606 0.386 1.000 0.800 CA 0.680 6 residues pruned to eliminate duplicates Z: 33 15.238 1.993 0.744 0.365 0.781 0.500 CB 1.146 33 residues pruned to eliminate duplicates Z: 13 10.340 2.010 0.535 0.449 0.833 0.667 CB 1.223 13 residues pruned to eliminate duplicates Z: 6 2.020 1.728 0.075 0.463 1.000 0.600 CB 0.505 6 residues pruned to eliminate duplicates Z: 22 11.781 2.023 0.721 0.343 0.762 0.524 CB 1.149 22 residues pruned to eliminate duplicates Z: 12 7.212 2.042 0.488 0.145 0.818 0.364 CB 1.357 12 residues pruned to eliminate duplicates Z: 34 14.288 1.963 0.571 0.324 0.818 0.455 CB 1.197 34 residues pruned to eliminate duplicates Z: 16 9.893 1.989 0.737 0.232 0.800 0.267 CB 1.262 16 residues pruned to eliminate duplicates Z: 11 7.674 1.965 0.576 0.243 0.900 0.400 CB 1.172 11 residues pruned to eliminate duplicates Z: 11 6.832 2.080 0.528 0.153 0.800 0.300 CB 1.301 11 residues pruned to eliminate duplicates Z: 17 12.747 2.114 0.710 0.375 0.812 0.562 CB 1.240 17 residues pruned to eliminate duplicates Z: 23 14.647 2.092 0.653 0.346 0.864 0.545 CB 1.235 23 residues pruned to eliminate duplicates Z: 19 13.144 2.036 0.656 0.342 0.889 0.444 CB 1.228 19 residues pruned to eliminate duplicates Z: 19 14.393 2.100 0.702 0.333 0.889 0.556 CB 1.282 19 residues pruned to eliminate duplicates Z: 10 12.601 2.002 0.706 0.560 0.889 0.556 CB 1.305 10 residues pruned to eliminate duplicates Z: 32 13.903 1.954 0.663 0.351 0.806 0.516 CB 1.119 32 residues pruned to eliminate duplicates Z: 6 7.610 1.625 0.996 0.465 0.800 0.800 CA 1.359 Z: 6 3.192 1.593 -0.068 0.432 1.000 0.400 CB 1.031 Z: 6 8.617 2.060 0.408 0.492 1.000 0.600 CB 1.339 5 residues pruned to eliminate duplicates Z: 6 6.789 1.878 0.748 0.361 0.800 0.600 N 1.343 Z: 6 2.218 1.471 0.131 0.266 0.800 0.200 CA 0.974 Z: 42 30.159 2.064 0.477 0.586 0.951 0.683 CA 1.495 42 residues pruned to eliminate duplicates Z: 40 35.636 2.172 0.700 0.613 0.923 0.641 CB 1.504 40 residues pruned to eliminate duplicates Z: 64 43.621 2.205 0.624 0.567 0.952 0.619 CB 1.509 64 residues pruned to eliminate duplicates Z: 28 33.973 2.208 0.652 0.699 0.963 0.815 CA 1.553 28 residues pruned to eliminate duplicates Z: 48 35.692 2.116 0.634 0.559 0.936 0.553 CA 1.519 48 residues pruned to eliminate duplicates Z: 36 34.198 2.204 0.621 0.624 0.943 0.743 CB 1.526 36 residues pruned to eliminate duplicates Z: 71 41.859 2.142 0.767 0.508 0.914 0.514 CB 1.434 71 residues pruned to eliminate duplicates Z: 33 42.642 2.260 0.681 0.703 1.000 0.688 CB 1.649 33 residues pruned to eliminate duplicates Z: 42 38.833 2.199 0.682 0.664 0.902 0.683 CB 1.561 42 residues pruned to eliminate duplicates Z: 36 37.673 2.176 0.627 0.648 0.971 0.743 CA 1.613 36 residues pruned to eliminate duplicates Z: 44 39.114 2.179 0.628 0.649 0.953 0.721 CB 1.535 44 residues pruned to eliminate duplicates Z: 38 33.087 2.181 0.626 0.620 0.919 0.568 CB 1.490 38 residues pruned to eliminate duplicates Z: 38 37.744 2.158 0.648 0.654 0.973 0.649 CB 1.553 38 residues pruned to eliminate duplicates Z: 36 38.781 2.189 0.754 0.627 0.943 0.686 CA 1.607 36 residues pruned to eliminate duplicates Z: 63 41.771 2.139 0.699 0.538 0.935 0.548 CB 1.503 63 residues pruned to eliminate duplicates Z: 54 40.692 2.220 0.639 0.591 0.943 0.566 CB 1.494 54 residues pruned to eliminate duplicates Z: 37 43.240 2.205 0.926 0.627 0.972 0.556 CB 1.550 50 residues pruned to eliminate duplicates Z: 22 48.494 2.296 0.955 0.909 1.000 0.810 CB 1.673 22 residues pruned to eliminate duplicates Z: 70 50.406 2.193 0.812 0.581 0.942 0.580 CB 1.500 70 residues pruned to eliminate duplicates Z: 17 43.662 2.378 1.034 0.917 0.938 0.750 CB 1.699 17 residues pruned to eliminate duplicates Z: 72 52.914 2.160 0.816 0.606 0.972 0.577 CB 1.490 72 residues pruned to eliminate duplicates Z: 35 44.729 2.239 0.919 0.671 0.971 0.559 CB 1.570 35 residues pruned to eliminate duplicates Z: 63 42.326 2.157 0.709 0.566 0.935 0.581 CB 1.463 63 residues pruned to eliminate duplicates Z: 39 43.562 2.218 0.864 0.694 0.947 0.500 CB 1.512 39 residues pruned to eliminate duplicates Z: 35 40.999 2.238 0.836 0.649 0.941 0.618 CB 1.581 35 residues pruned to eliminate duplicates Z: 38 38.518 2.176 0.769 0.627 0.946 0.568 CB 1.544 38 residues pruned to eliminate duplicates Z: 63 53.477 2.201 0.888 0.598 0.968 0.565 CB 1.538 63 residues pruned to eliminate duplicates Z: 72 49.668 2.182 0.918 0.563 0.873 0.437 CB 1.517 72 residues pruned to eliminate duplicates Z: 48 42.356 2.205 0.845 0.603 0.936 0.447 CB 1.471 48 residues pruned to eliminate duplicates Z: 42 45.763 2.230 0.729 0.672 0.976 0.707 CB 1.621 42 residues pruned to eliminate duplicates Z: 65 45.782 2.174 0.795 0.566 0.922 0.547 CB 1.492 65 residues pruned to eliminate duplicates Z: 9 11.158 2.112 0.099 0.724 1.000 0.875 CB 1.388 9 residues pruned to eliminate duplicates Z: 35 22.468 2.084 0.603 0.484 0.882 0.529 CB 1.329 35 residues pruned to eliminate duplicates Z: 34 25.421 2.154 0.684 0.500 0.909 0.515 CB 1.342 34 residues pruned to eliminate duplicates Z: 40 25.765 1.997 0.825 0.444 0.872 0.538 CB 1.376 40 residues pruned to eliminate duplicates Z: 25 17.483 2.022 0.378 0.506 0.958 0.625 CB 1.328 25 residues pruned to eliminate duplicates Z: 42 31.064 2.120 0.713 0.536 0.927 0.439 CB 1.392 42 residues pruned to eliminate duplicates Z: 10 14.211 2.073 0.258 0.865 1.000 0.778 CB 1.331 10 residues pruned to eliminate duplicates Z: 41 32.547 2.143 0.728 0.562 0.950 0.600 CB 1.377 41 residues pruned to eliminate duplicates Z: 6 6.587 1.790 0.736 0.339 1.000 0.400 CB 1.130 Z: 61 39.235 2.102 0.787 0.519 0.900 0.350 CB 1.470 67 residues pruned to eliminate duplicates Z: 43 27.439 2.064 0.675 0.511 0.881 0.500 CB 1.375 43 residues pruned to eliminate duplicates Z: 33 24.635 2.087 0.867 0.407 0.875 0.469 CB 1.409 33 residues pruned to eliminate duplicates Z: 44 23.836 2.027 0.593 0.489 0.884 0.488 CB 1.288 44 residues pruned to eliminate duplicates Z: 41 23.733 1.973 0.718 0.439 0.900 0.400 CB 1.309 41 residues pruned to eliminate duplicates Z: 36 21.762 2.022 0.890 0.487 0.886 0.543 CB 1.101 36 residues pruned to eliminate duplicates Z: 20 17.095 2.133 0.876 0.304 0.895 0.421 CB 1.362 20 residues pruned to eliminate duplicates Z: 35 21.227 2.047 0.901 0.480 0.853 0.382 CB 1.119 35 residues pruned to eliminate duplicates Z: 35 22.042 2.089 0.804 0.384 0.824 0.471 CB 1.378 35 residues pruned to eliminate duplicates Z: 42 30.729 2.091 0.776 0.521 0.951 0.488 CB 1.331 42 residues pruned to eliminate duplicates Z: 9 13.216 2.000 0.518 0.592 0.875 0.625 CB 1.611 9 residues pruned to eliminate duplicates Z: 14 19.043 1.968 0.689 0.561 0.923 0.615 CA 1.622 14 residues pruned to eliminate duplicates Z: 15 15.918 1.977 0.631 0.506 0.929 0.500 CB 1.413 15 residues pruned to eliminate duplicates Z: 11 9.801 1.728 0.339 0.539 0.900 0.400 CB 1.432 11 residues pruned to eliminate duplicates Z: 23 20.471 2.048 0.803 0.421 0.909 0.364 CB 1.411 23 residues pruned to eliminate duplicates Z: 19 9.636 1.649 0.590 0.347 0.833 0.389 CA 1.228 Z: 6 2.092 1.356 0.176 0.727 0.800 0.400 N 0.598 6 residues pruned to eliminate duplicates Z: 15 6.474 1.741 0.419 0.394 0.714 0.429 CA 1.097 15 residues pruned to eliminate duplicates Z: 10 5.435 1.770 0.489 0.301 0.667 0.333 N 1.287 10 residues pruned to eliminate duplicates Z: 12 6.707 1.919 0.628 0.249 0.636 0.364 CA 1.358 12 residues pruned to eliminate duplicates Z: 19 8.205 1.756 0.482 0.269 0.778 0.389 CB 1.242 15 residues pruned to eliminate duplicates 698 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 6 D: 7 E: 6 F: 16 G: 12 H: 12 I: 15 J: 33 K: 62 L: 8 M: 11 N: 47 O: 6 P: 14 Q: 29 R: 13 S: 49 T: 36 U: 9 V: 123 W: 41 X: 6 Y: 7 Z: 56 Z: 8 Z: 10 Z: 34 Z: 9 CC for partial structure against native data = 27.03 % ------------------------------------------------------------------------------ Global autotracing cycle 6 = 0.300, Contrast = 0.389, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.448, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.747 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.545, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6513 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1290 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 16.649 2.089 0.063 0.918 1.000 0.882 CB 1.283 B: 16 11.747 2.056 0.979 0.308 0.733 0.400 CB 1.259 C: 8 13.435 1.904 0.707 0.799 1.000 1.000 CB 1.202 D: 10 14.197 1.991 0.393 0.857 0.889 0.667 CB 1.414 E: 22 19.299 2.186 0.837 0.299 0.905 0.524 CA 1.451 F: 23 41.613 2.161 0.890 0.860 0.955 0.864 CB 1.674 G: 32 15.681 2.025 0.502 0.354 0.839 0.516 CB 1.293 H: 23 33.414 2.150 0.531 0.862 1.000 0.773 CB 1.589 23 residues pruned to eliminate duplicates I: 21 36.343 2.139 0.768 0.929 1.000 0.950 CB 1.504 21 residues pruned to eliminate duplicates J: 10 16.936 1.916 0.811 0.904 1.000 0.778 CB 1.158 10 residues pruned to eliminate duplicates K: 10 17.930 1.986 0.736 0.919 0.889 0.778 CB 1.374 10 residues pruned to eliminate duplicates L: 21 31.727 2.083 0.574 0.916 1.000 1.000 CB 1.528 21 residues pruned to eliminate duplicates M: 18 18.222 1.904 0.750 0.455 0.941 0.647 CB 1.476 N: 20 26.908 1.988 0.451 0.873 0.947 0.737 CB 1.645 O: 20 26.784 2.164 0.353 0.884 0.947 0.842 CB 1.600 20 residues pruned to eliminate duplicates P: 29 14.862 1.975 0.732 0.343 0.821 0.500 CB 1.186 25 residues pruned to eliminate duplicates Q: 10 16.211 1.913 0.414 0.921 1.000 0.444 CB 1.406 R: 11 32.683 2.326 0.830 0.918 1.000 0.900 CA 1.712 11 residues pruned to eliminate duplicates S: 22 38.970 2.223 0.790 0.893 1.000 0.810 CB 1.535 23 residues pruned to eliminate duplicates T: 18 29.129 2.044 0.803 0.939 1.000 0.824 CA 1.332 U: 7 9.302 1.830 0.101 0.799 1.000 0.667 O 1.450 V: 16 30.183 2.239 0.625 0.909 0.933 0.933 CB 1.629 16 residues pruned to eliminate duplicates W: 18 28.787 2.097 0.665 0.920 1.000 0.882 CB 1.409 18 residues pruned to eliminate duplicates X: 14 27.127 2.156 0.823 0.831 0.923 0.462 CB 1.558 14 residues pruned to eliminate duplicates Y: 14 9.759 2.019 0.464 0.346 0.846 0.615 CB 1.280 Z: 7 10.704 1.858 0.291 0.793 1.000 0.667 CA 1.408 7 residues pruned to eliminate duplicates Z: 8 10.941 1.851 0.503 0.579 0.857 0.429 C 1.607 Z: 21 37.253 2.330 0.586 0.927 0.950 0.900 CB 1.663 21 residues pruned to eliminate duplicates Z: 24 14.639 2.098 0.807 0.364 0.739 0.478 CB 1.260 16 residues pruned to eliminate duplicates Z: 7 9.346 1.788 0.115 0.846 1.000 1.000 O 1.422 7 residues pruned to eliminate duplicates Z: 13 15.064 2.005 0.798 0.459 0.833 0.667 CA 1.510 Z: 18 29.638 2.040 0.577 0.882 0.941 0.647 CB 1.717 18 residues pruned to eliminate duplicates Z: 11 10.699 1.929 0.254 0.805 0.800 0.600 CA 1.339 11 residues pruned to eliminate duplicates Z: 20 26.077 1.958 0.646 0.938 1.000 0.737 CB 1.291 20 residues pruned to eliminate duplicates Z: 13 16.399 2.000 0.765 0.493 1.000 0.500 CA 1.351 Z: 21 30.811 2.005 0.608 0.852 0.950 0.600 CB 1.664 20 residues pruned to eliminate duplicates Z: 19 18.501 2.159 0.674 0.394 0.889 0.556 CA 1.518 13 residues pruned to eliminate duplicates Z: 22 27.998 1.955 0.364 0.914 0.952 0.762 CB 1.701 22 residues pruned to eliminate duplicates Z: 21 39.465 2.333 0.587 0.903 1.000 0.700 CB 1.699 22 residues pruned to eliminate duplicates Z: 12 13.281 2.132 0.268 0.497 0.909 0.545 CB 1.634 Z: 19 21.857 2.012 0.423 0.879 0.944 0.722 CA 1.381 19 residues pruned to eliminate duplicates Z: 54 38.467 2.004 0.706 0.585 0.925 0.585 CA 1.540 36 residues pruned to eliminate duplicates Z: 21 46.867 2.315 0.923 0.929 0.950 0.700 CB 1.734 21 residues pruned to eliminate duplicates Z: 12 11.952 2.035 0.591 0.357 0.818 0.455 CA 1.587 Z: 21 34.488 2.259 0.475 0.897 1.000 0.750 CB 1.658 21 residues pruned to eliminate duplicates Z: 27 12.080 1.893 0.335 0.338 0.846 0.500 CB 1.322 Z: 13 15.066 1.934 0.613 0.635 0.917 0.667 CA 1.340 Z: 18 29.311 2.072 0.820 0.931 0.941 0.824 CA 1.399 22 residues pruned to eliminate duplicates Z: 8 12.567 1.871 0.726 0.498 1.000 0.571 N 1.475 Z: 17 7.338 2.026 -0.027 0.359 0.812 0.625 CB 1.334 17 residues pruned to eliminate duplicates Z: 35 28.739 2.007 0.498 0.625 0.941 0.676 CB 1.549 35 residues pruned to eliminate duplicates Z: 11 12.404 1.909 0.475 0.478 0.900 0.300 N 1.583 Z: 21 37.060 2.292 0.674 0.915 0.950 0.750 CB 1.607 21 residues pruned to eliminate duplicates Z: 17 32.839 2.040 0.831 0.903 1.000 0.750 CA 1.568 17 residues pruned to eliminate duplicates Z: 9 9.793 1.825 0.562 0.761 1.000 0.750 CB 0.963 9 residues pruned to eliminate duplicates Z: 18 12.364 2.009 0.841 0.346 0.824 0.412 CB 1.164 15 residues pruned to eliminate duplicates Z: 8 9.341 1.763 0.044 0.862 1.000 0.714 CA 1.409 7 residues pruned to eliminate duplicates Z: 17 15.992 1.871 0.749 0.514 0.812 0.688 CB 1.483 12 residues pruned to eliminate duplicates Z: 66 37.936 2.014 0.657 0.580 0.892 0.554 CA 1.463 49 residues pruned to eliminate duplicates Z: 20 26.927 1.978 0.688 0.929 1.000 0.684 CB 1.295 20 residues pruned to eliminate duplicates Z: 22 10.225 1.897 0.357 0.376 0.810 0.524 CB 1.223 Z: 10 8.826 1.729 0.614 0.792 0.889 0.778 CA 0.918 6 residues pruned to eliminate duplicates Z: 8 13.127 1.688 0.507 0.856 1.000 0.714 O 1.440 8 residues pruned to eliminate duplicates Z: 8 5.879 1.807 0.389 0.332 1.000 0.571 CB 1.064 8 residues pruned to eliminate duplicates Z: 10 15.713 1.821 0.769 0.852 1.000 0.778 CA 1.203 11 residues pruned to eliminate duplicates Z: 13 12.503 1.756 0.822 0.455 0.833 0.417 CA 1.417 Z: 23 8.974 1.924 0.242 0.347 0.773 0.455 CB 1.223 9 residues pruned to eliminate duplicates Z: 21 27.887 2.004 0.570 0.917 0.850 0.650 CB 1.646 21 residues pruned to eliminate duplicates Z: 10 9.517 1.860 0.214 0.871 0.778 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 9 10.382 1.807 0.544 0.818 1.000 0.750 CB 0.998 9 residues pruned to eliminate duplicates Z: 18 21.100 2.024 0.309 0.903 1.000 0.765 CA 1.376 18 residues pruned to eliminate duplicates Z: 14 28.752 2.268 0.517 0.946 0.923 0.769 CB 1.737 14 residues pruned to eliminate duplicates Z: 25 26.972 2.050 0.539 0.717 1.000 0.708 CA 1.433 25 residues pruned to eliminate duplicates Z: 6 8.656 1.830 0.419 0.661 1.000 1.000 N 1.284 Z: 18 7.925 1.766 0.551 0.358 0.824 0.529 CA 0.994 Z: 32 18.147 2.060 0.412 0.435 0.903 0.581 CB 1.327 26 residues pruned to eliminate duplicates Z: 49 38.498 2.047 0.694 0.691 0.938 0.688 CB 1.436 24 residues pruned to eliminate duplicates Z: 21 42.187 2.326 0.731 0.940 1.000 0.850 CB 1.626 21 residues pruned to eliminate duplicates Z: 12 14.128 2.048 0.741 0.523 0.818 0.636 CA 1.428 13 residues pruned to eliminate duplicates Z: 8 12.319 1.847 0.768 0.655 0.857 0.714 CB 1.440 8 residues pruned to eliminate duplicates Z: 10 10.650 1.775 0.426 0.805 0.778 0.556 CA 1.381 Z: 18 12.761 1.983 0.220 0.436 0.882 0.588 CA 1.549 22 residues pruned to eliminate duplicates Z: 11 13.233 1.827 0.525 0.910 0.800 0.300 CB 1.332 11 residues pruned to eliminate duplicates Z: 28 12.765 1.883 0.245 0.438 0.889 0.481 CA 1.258 28 residues pruned to eliminate duplicates Z: 13 14.849 1.818 0.686 0.582 0.917 0.833 CA 1.410 13 residues pruned to eliminate duplicates Z: 10 5.753 1.702 0.460 0.421 0.667 0.667 CB 1.257 10 residues pruned to eliminate duplicates Z: 24 16.131 1.968 0.455 0.463 0.870 0.565 CB 1.404 23 residues pruned to eliminate duplicates Z: 22 21.397 2.088 0.399 0.857 0.857 0.714 CB 1.374 22 residues pruned to eliminate duplicates Z: 20 27.809 2.005 0.599 0.852 0.895 0.737 CB 1.646 20 residues pruned to eliminate duplicates Z: 20 17.413 2.097 0.787 0.373 0.842 0.579 CA 1.451 20 residues pruned to eliminate duplicates Z: 23 47.258 2.198 1.051 0.906 0.955 0.682 CB 1.665 21 residues pruned to eliminate duplicates Z: 21 38.091 2.321 0.540 0.936 1.000 0.700 CB 1.660 22 residues pruned to eliminate duplicates Z: 18 24.844 2.105 0.574 0.930 1.000 0.941 CB 1.272 18 residues pruned to eliminate duplicates Z: 19 27.335 1.975 0.671 0.869 1.000 0.833 CA 1.426 19 residues pruned to eliminate duplicates Z: 38 26.451 1.941 0.804 0.489 0.919 0.649 CA 1.367 38 residues pruned to eliminate duplicates Z: 26 19.052 1.978 0.763 0.498 0.920 0.600 CB 1.190 30 residues pruned to eliminate duplicates Z: 13 7.037 1.900 0.438 0.281 0.750 0.417 CB 1.268 Z: 23 11.357 1.843 0.268 0.402 0.864 0.591 CB 1.331 23 residues pruned to eliminate duplicates Z: 9 11.692 1.714 0.367 0.894 1.000 1.000 CA 1.266 8 residues pruned to eliminate duplicates Z: 20 23.661 1.959 0.625 0.904 1.000 0.947 CB 1.215 20 residues pruned to eliminate duplicates Z: 22 14.145 2.012 0.707 0.311 0.857 0.524 CA 1.293 22 residues pruned to eliminate duplicates Z: 22 42.840 2.198 0.935 0.935 1.000 0.810 CB 1.532 22 residues pruned to eliminate duplicates Z: 13 12.253 1.877 0.443 0.403 1.000 0.500 CA 1.446 11 residues pruned to eliminate duplicates Z: 8 10.849 1.863 0.516 0.897 1.000 0.857 CB 1.040 8 residues pruned to eliminate duplicates Z: 27 10.383 1.908 0.440 0.331 0.769 0.385 CB 1.160 Z: 10 12.752 1.972 0.300 0.904 0.889 0.889 CB 1.329 10 residues pruned to eliminate duplicates Z: 15 11.313 2.061 0.334 0.372 0.929 0.571 CB 1.358 15 residues pruned to eliminate duplicates Z: 32 14.474 1.851 0.449 0.432 0.839 0.581 CB 1.241 12 residues pruned to eliminate duplicates Z: 23 14.829 2.077 0.782 0.313 0.773 0.409 CB 1.360 24 residues pruned to eliminate duplicates Z: 22 54.352 2.246 1.230 0.897 1.000 0.571 CB 1.696 22 residues pruned to eliminate duplicates Z: 32 20.777 2.086 0.797 0.483 0.871 0.516 CB 1.163 22 residues pruned to eliminate duplicates Z: 22 14.254 1.885 0.417 0.372 1.000 0.524 CB 1.335 18 residues pruned to eliminate duplicates Z: 37 31.129 1.997 0.591 0.603 1.000 0.639 CA 1.480 35 residues pruned to eliminate duplicates Z: 42 33.492 1.942 0.703 0.616 0.902 0.561 CB 1.571 38 residues pruned to eliminate duplicates Z: 17 17.500 1.969 0.630 0.446 1.000 0.625 CB 1.440 18 residues pruned to eliminate duplicates Z: 27 15.181 2.040 0.627 0.335 0.808 0.538 CB 1.329 27 residues pruned to eliminate duplicates Z: 19 13.342 2.143 0.716 0.351 0.778 0.500 CB 1.292 19 residues pruned to eliminate duplicates Z: 54 40.594 2.177 0.749 0.506 0.943 0.623 CB 1.543 50 residues pruned to eliminate duplicates Z: 17 11.840 1.954 0.305 0.422 1.000 0.562 CB 1.259 17 residues pruned to eliminate duplicates Z: 17 15.547 1.861 0.674 0.527 0.875 0.625 CA 1.388 12 residues pruned to eliminate duplicates Z: 38 28.338 2.171 0.633 0.586 0.892 0.595 CB 1.356 38 residues pruned to eliminate duplicates Z: 20 29.009 2.011 0.821 0.900 1.000 0.789 CB 1.298 20 residues pruned to eliminate duplicates Z: 19 21.197 2.015 0.511 0.900 0.944 0.833 CB 1.242 19 residues pruned to eliminate duplicates Z: 19 11.714 1.986 0.413 0.382 0.778 0.444 CB 1.433 19 residues pruned to eliminate duplicates Z: 16 7.618 1.657 0.621 0.370 0.800 0.533 N 1.052 Z: 10 9.785 1.621 0.278 0.773 1.000 0.444 CA 1.236 Z: 23 10.116 1.841 0.207 0.356 0.864 0.409 CB 1.313 23 residues pruned to eliminate duplicates Z: 18 28.063 2.035 0.708 0.933 1.000 0.824 CA 1.366 18 residues pruned to eliminate duplicates Z: 12 12.447 1.978 0.439 0.453 0.909 0.727 CA 1.523 Z: 23 14.993 1.821 0.843 0.531 0.818 0.545 CB 1.130 39 residues pruned to eliminate duplicates Z: 11 15.829 1.807 0.467 0.901 1.000 0.600 CB 1.348 10 residues pruned to eliminate duplicates Z: 20 11.984 1.905 0.524 0.346 0.895 0.579 CB 1.251 Z: 20 12.940 1.978 0.595 0.451 0.842 0.632 CB 1.176 20 residues pruned to eliminate duplicates Z: 11 10.700 1.887 0.205 0.894 0.900 0.800 CB 1.186 11 residues pruned to eliminate duplicates Z: 19 21.091 1.996 0.314 0.861 0.833 0.667 CB 1.671 19 residues pruned to eliminate duplicates Z: 11 12.303 2.098 0.401 0.507 1.000 0.800 CA 1.315 12 residues pruned to eliminate duplicates Z: 9 13.643 1.931 0.400 0.915 1.000 1.000 CA 1.261 9 residues pruned to eliminate duplicates Z: 11 5.425 1.797 0.157 0.363 0.800 0.500 CB 1.194 10 residues pruned to eliminate duplicates Z: 21 39.863 2.245 0.730 0.878 1.000 0.700 CA 1.665 21 residues pruned to eliminate duplicates Z: 9 7.145 1.800 0.203 0.812 0.875 0.625 CA 1.016 9 residues pruned to eliminate duplicates Z: 18 23.054 1.993 0.595 0.916 0.824 0.588 CB 1.509 18 residues pruned to eliminate duplicates Z: 12 5.388 1.724 0.427 0.451 0.636 0.455 CB 1.091 Z: 51 29.578 2.022 0.450 0.621 0.900 0.660 CB 1.414 35 residues pruned to eliminate duplicates Z: 16 27.069 2.041 0.640 0.919 1.000 0.867 CA 1.472 16 residues pruned to eliminate duplicates Z: 31 18.582 2.025 0.612 0.521 0.867 0.500 CB 1.174 31 residues pruned to eliminate duplicates Z: 22 12.394 1.977 0.356 0.454 0.810 0.667 CB 1.307 22 residues pruned to eliminate duplicates Z: 21 28.464 1.948 0.524 0.894 0.950 0.800 CB 1.618 21 residues pruned to eliminate duplicates Z: 30 15.211 2.013 0.392 0.411 0.862 0.552 CB 1.282 30 residues pruned to eliminate duplicates Z: 13 10.141 1.871 0.543 0.456 0.917 0.667 CB 1.157 12 residues pruned to eliminate duplicates Z: 30 23.857 2.124 0.613 0.451 0.966 0.552 CB 1.409 30 residues pruned to eliminate duplicates Z: 12 10.368 2.198 0.469 0.272 0.909 0.455 CB 1.381 12 residues pruned to eliminate duplicates Z: 9 2.769 1.735 0.205 0.220 0.750 0.625 CB 0.867 9 residues pruned to eliminate duplicates Z: 7 3.280 1.759 -0.020 0.164 0.833 0.167 CB 1.404 7 residues pruned to eliminate duplicates Z: 6 2.459 1.553 -0.004 0.286 0.800 0.400 O 1.130 Z: 28 15.024 2.029 0.455 0.386 0.815 0.556 CB 1.356 28 residues pruned to eliminate duplicates Z: 21 16.337 1.853 0.504 0.646 0.950 0.700 CB 1.205 17 residues pruned to eliminate duplicates Z: 9 5.798 1.843 0.522 0.400 0.750 0.375 CA 1.083 9 residues pruned to eliminate duplicates Z: 53 37.964 2.180 0.725 0.475 0.904 0.558 CB 1.588 53 residues pruned to eliminate duplicates Z: 7 14.213 1.780 0.621 0.830 1.000 0.333 CA 1.512 8 residues pruned to eliminate duplicates Z: 11 10.599 1.655 0.409 0.746 0.900 0.600 CA 1.281 Z: 10 10.080 1.735 0.484 0.782 0.889 0.889 CA 1.146 10 residues pruned to eliminate duplicates Z: 14 10.973 1.917 0.355 0.365 1.000 0.462 CA 1.355 14 residues pruned to eliminate duplicates Z: 37 38.478 2.150 0.890 0.632 0.889 0.611 CB 1.567 43 residues pruned to eliminate duplicates Z: 15 13.481 2.126 0.586 0.414 0.857 0.571 CA 1.365 15 residues pruned to eliminate duplicates Z: 12 5.499 1.516 0.681 0.417 0.636 0.364 CB 1.116 Z: 13 11.378 1.779 0.778 0.482 0.833 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 26 36.274 2.088 0.616 0.816 1.000 0.880 CB 1.633 26 residues pruned to eliminate duplicates Z: 9 2.980 1.462 0.431 0.188 0.625 0.375 CA 1.172 Z: 21 14.920 2.015 0.500 0.421 0.800 0.650 CB 1.499 21 residues pruned to eliminate duplicates Z: 23 11.962 2.044 0.122 0.378 0.909 0.545 CB 1.393 23 residues pruned to eliminate duplicates Z: 9 8.734 1.818 0.667 0.560 0.875 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 9 12.819 1.774 0.236 0.877 1.000 0.500 O 1.500 10 residues pruned to eliminate duplicates Z: 54 33.044 2.136 0.696 0.494 0.887 0.566 CB 1.422 54 residues pruned to eliminate duplicates Z: 24 13.998 2.001 0.345 0.383 0.913 0.478 CB 1.345 24 residues pruned to eliminate duplicates Z: 35 19.929 1.984 0.508 0.394 0.941 0.618 CB 1.357 36 residues pruned to eliminate duplicates Z: 22 12.057 1.927 0.237 0.378 0.905 0.571 CA 1.388 22 residues pruned to eliminate duplicates Z: 23 29.713 1.891 0.646 0.894 1.000 0.773 CB 1.460 23 residues pruned to eliminate duplicates Z: 40 23.699 1.865 0.449 0.612 0.872 0.513 CA 1.449 40 residues pruned to eliminate duplicates Z: 16 11.505 1.702 0.613 0.562 0.867 0.533 CB 1.176 Z: 14 4.021 1.588 0.227 0.205 0.769 0.462 CB 1.056 Z: 7 13.797 2.143 1.045 0.523 0.833 0.667 CB 1.507 7 residues pruned to eliminate duplicates Z: 6 5.773 1.522 0.318 0.654 1.000 0.800 CA 1.115 6 residues pruned to eliminate duplicates Z: 27 18.161 1.815 0.799 0.491 0.962 0.692 CB 1.144 27 residues pruned to eliminate duplicates Z: 24 11.182 1.731 0.496 0.385 0.870 0.478 CB 1.170 37 residues pruned to eliminate duplicates Z: 19 28.595 2.038 0.717 0.920 0.944 0.556 CA 1.436 19 residues pruned to eliminate duplicates Z: 38 27.154 1.952 0.611 0.570 0.919 0.541 CB 1.443 38 residues pruned to eliminate duplicates Z: 9 20.419 2.052 0.912 0.839 1.000 1.000 CB 1.375 9 residues pruned to eliminate duplicates Z: 19 46.423 2.291 0.987 0.920 1.000 0.833 CB 1.693 24 residues pruned to eliminate duplicates Z: 13 12.690 1.943 0.777 0.489 0.833 0.667 CB 1.287 13 residues pruned to eliminate duplicates Z: 12 8.370 1.778 0.978 0.297 0.727 0.455 CB 1.237 Z: 33 14.274 1.974 0.362 0.343 0.844 0.656 CA 1.319 33 residues pruned to eliminate duplicates Z: 12 14.340 1.918 0.583 0.515 0.909 0.636 CA 1.543 12 residues pruned to eliminate duplicates Z: 27 11.206 2.033 0.407 0.305 0.692 0.423 CB 1.380 22 residues pruned to eliminate duplicates Z: 8 11.443 1.857 0.649 0.602 0.857 0.571 CB 1.495 8 residues pruned to eliminate duplicates Z: 12 11.956 1.842 0.442 0.683 0.909 0.636 CB 1.262 11 residues pruned to eliminate duplicates Z: 11 5.268 1.852 0.383 0.357 0.700 0.300 CB 1.085 Z: 14 9.373 1.828 0.617 0.410 0.846 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 20 28.038 2.057 0.686 0.921 0.895 0.632 CB 1.459 20 residues pruned to eliminate duplicates Z: 19 26.567 2.003 0.754 0.859 0.944 0.611 CB 1.388 19 residues pruned to eliminate duplicates Z: 8 4.666 1.589 0.704 0.388 0.857 0.571 CB 0.855 Z: 11 7.785 1.908 0.319 0.455 0.900 0.400 CB 1.138 11 residues pruned to eliminate duplicates Z: 16 24.097 2.143 0.735 0.892 0.800 0.467 CB 1.502 16 residues pruned to eliminate duplicates Z: 20 8.679 1.802 0.263 0.332 0.895 0.421 CB 1.176 20 residues pruned to eliminate duplicates Z: 11 13.692 1.890 0.653 0.657 0.900 0.900 CA 1.330 11 residues pruned to eliminate duplicates Z: 23 11.569 1.749 0.504 0.415 0.864 0.500 CB 1.186 17 residues pruned to eliminate duplicates Z: 21 37.703 2.284 0.567 0.934 1.000 0.900 CB 1.643 21 residues pruned to eliminate duplicates Z: 32 17.253 2.041 0.429 0.395 0.871 0.548 CB 1.364 32 residues pruned to eliminate duplicates Z: 12 7.756 1.808 0.576 0.330 0.909 0.636 CB 1.088 Z: 41 36.556 2.037 0.735 0.681 0.950 0.700 CA 1.458 43 residues pruned to eliminate duplicates Z: 13 15.392 1.795 0.915 0.538 0.917 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 26 26.211 2.042 0.467 0.737 0.920 0.720 CB 1.537 26 residues pruned to eliminate duplicates Z: 19 9.202 1.882 0.302 0.373 0.889 0.667 CA 1.141 19 residues pruned to eliminate duplicates Z: 10 10.925 1.891 0.336 0.679 0.889 0.778 CB 1.375 10 residues pruned to eliminate duplicates Z: 18 30.247 2.045 0.830 0.909 1.000 0.824 CA 1.392 18 residues pruned to eliminate duplicates Z: 7 4.624 1.750 0.450 0.416 0.667 0.333 CB 1.218 7 residues pruned to eliminate duplicates Z: 27 16.851 2.059 0.945 0.253 0.769 0.462 CB 1.425 27 residues pruned to eliminate duplicates Z: 15 9.772 1.762 0.604 0.446 0.857 0.571 CA 1.139 15 residues pruned to eliminate duplicates Z: 24 15.189 1.995 0.599 0.368 0.870 0.609 CB 1.314 26 residues pruned to eliminate duplicates Z: 10 6.945 1.880 0.345 0.458 0.778 0.667 CB 1.229 10 residues pruned to eliminate duplicates Z: 12 13.248 1.914 0.557 0.554 0.909 0.727 CA 1.398 Z: 12 15.719 1.934 0.898 0.889 0.636 0.455 CB 1.460 12 residues pruned to eliminate duplicates Z: 9 12.723 1.825 0.611 0.887 1.000 0.875 CA 1.104 9 residues pruned to eliminate duplicates Z: 31 21.487 1.920 0.778 0.464 0.800 0.500 CA 1.490 31 residues pruned to eliminate duplicates Z: 8 5.442 1.683 0.462 0.683 0.857 0.714 CB 0.824 Z: 11 10.905 1.814 0.256 0.468 1.000 0.700 CB 1.564 11 residues pruned to eliminate duplicates Z: 7 4.018 1.647 -0.091 0.675 0.833 0.667 CB 1.119 Z: 14 8.873 1.888 0.306 0.401 0.923 0.615 CA 1.200 Z: 9 7.358 2.100 0.257 0.431 0.875 0.750 CA 1.210 9 residues pruned to eliminate duplicates Z: 10 10.316 1.756 0.241 0.852 1.000 0.778 CA 1.167 10 residues pruned to eliminate duplicates Z: 36 39.410 2.204 0.839 0.626 0.943 0.571 CB 1.548 36 residues pruned to eliminate duplicates Z: 12 15.026 1.741 0.531 0.921 1.000 0.818 CB 1.196 12 residues pruned to eliminate duplicates Z: 6 3.123 1.694 0.176 0.420 1.000 0.600 CB 0.762 Z: 29 14.753 2.090 0.523 0.349 0.786 0.536 CB 1.313 29 residues pruned to eliminate duplicates Z: 12 14.330 1.856 0.702 0.680 0.909 0.727 CA 1.276 12 residues pruned to eliminate duplicates Z: 30 25.366 2.176 0.755 0.473 0.897 0.517 CB 1.414 30 residues pruned to eliminate duplicates Z: 17 22.925 1.961 0.346 0.888 1.000 0.875 CB 1.565 17 residues pruned to eliminate duplicates Z: 11 8.018 1.916 0.335 0.459 0.900 0.700 CA 1.148 11 residues pruned to eliminate duplicates Z: 7 4.002 1.522 0.177 0.536 0.667 0.500 CA 1.320 Z: 32 23.814 2.102 0.700 0.397 0.935 0.548 CB 1.426 32 residues pruned to eliminate duplicates Z: 12 12.011 1.854 0.778 0.615 0.909 0.818 CB 1.084 Z: 8 4.984 1.759 0.420 0.483 0.714 0.714 CB 1.074 8 residues pruned to eliminate duplicates Z: 13 8.466 1.986 0.254 0.364 0.833 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 16 29.964 2.141 0.895 0.896 0.933 0.600 CB 1.463 16 residues pruned to eliminate duplicates Z: 7 6.191 1.700 -0.030 0.723 1.000 1.000 CB 1.253 7 residues pruned to eliminate duplicates 7 1.424 1.456 0.098 0.272 0.667 0.333 CB 0.707 ? Z: 9 10.954 1.786 0.658 0.722 1.000 0.625 CB 1.070 8 residues pruned to eliminate duplicates Z: 15 13.891 2.031 0.616 0.261 0.929 0.357 CB 1.600 15 residues pruned to eliminate duplicates Z: 29 10.315 1.794 0.228 0.341 0.821 0.393 CB 1.281 29 residues pruned to eliminate duplicates Z: 19 10.806 1.670 0.675 0.317 0.833 0.667 CB 1.336 19 residues pruned to eliminate duplicates Z: 8 7.973 1.811 0.505 0.433 0.857 0.571 N 1.383 8 residues pruned to eliminate duplicates Z: 9 9.400 1.569 0.489 0.785 1.000 0.625 CA 1.107 9 residues pruned to eliminate duplicates Z: 41 20.639 1.926 0.602 0.478 0.900 0.525 CB 1.201 48 residues pruned to eliminate duplicates Z: 19 29.544 2.147 0.681 0.883 0.944 0.889 CB 1.477 19 residues pruned to eliminate duplicates Z: 13 7.833 1.949 0.464 0.417 0.750 0.667 CB 1.152 6 residues pruned to eliminate duplicates Z: 19 15.120 2.054 0.572 0.419 0.889 0.667 CA 1.351 19 residues pruned to eliminate duplicates Z: 21 35.135 1.996 0.902 0.907 0.950 0.650 CB 1.549 21 residues pruned to eliminate duplicates Z: 13 18.939 2.070 0.833 0.510 0.917 0.583 CA 1.557 13 residues pruned to eliminate duplicates Z: 7 4.307 1.519 0.133 0.577 0.833 0.667 C 1.138 Z: 20 26.361 2.032 0.762 0.926 0.895 0.526 CB 1.323 20 residues pruned to eliminate duplicates Z: 27 22.339 2.051 0.240 0.672 0.962 0.808 CB 1.528 27 residues pruned to eliminate duplicates Z: 30 18.394 1.839 0.782 0.475 0.931 0.621 CB 1.148 30 residues pruned to eliminate duplicates 6 0.804 1.142 -0.063 0.404 0.800 0.400 CB 0.464 ? Z: 27 33.623 2.092 0.705 0.734 0.962 0.808 CB 1.557 27 residues pruned to eliminate duplicates Z: 10 6.109 1.679 0.479 0.456 0.778 0.444 N 1.103 10 residues pruned to eliminate duplicates Z: 6 6.630 1.788 0.686 0.472 0.800 0.600 CB 1.264 Z: 17 16.488 1.932 0.776 0.474 0.938 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 16 11.243 1.816 0.514 0.382 0.867 0.467 CB 1.382 13 residues pruned to eliminate duplicates Z: 29 11.993 2.076 0.329 0.355 0.786 0.607 CB 1.224 29 residues pruned to eliminate duplicates Z: 10 6.538 1.753 0.231 0.482 0.778 0.556 CA 1.322 10 residues pruned to eliminate duplicates Z: 10 7.262 1.726 0.703 0.462 0.778 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 8 7.105 1.699 0.207 0.581 1.000 0.714 N 1.211 Z: 33 19.224 1.886 0.487 0.514 0.938 0.562 CB 1.274 33 residues pruned to eliminate duplicates Z: 32 19.195 2.092 0.641 0.389 0.839 0.484 CB 1.347 32 residues pruned to eliminate duplicates Z: 13 13.469 1.791 0.627 0.610 0.917 0.667 CA 1.312 12 residues pruned to eliminate duplicates Z: 6 5.646 1.547 0.272 0.640 1.000 0.800 C 1.126 Z: 16 13.007 1.860 0.534 0.371 0.933 0.400 CA 1.447 15 residues pruned to eliminate duplicates Z: 7 3.762 1.410 0.076 0.725 1.000 0.667 CB 0.827 7 residues pruned to eliminate duplicates Z: 13 8.084 1.830 0.734 0.374 0.750 0.583 CB 1.122 13 residues pruned to eliminate duplicates Z: 7 6.740 1.853 0.425 0.480 0.833 0.833 CA 1.276 12 residues pruned to eliminate duplicates Z: 9 12.101 1.900 0.386 0.837 0.875 0.625 CB 1.389 9 residues pruned to eliminate duplicates Z: 6 5.870 1.803 0.830 0.541 0.800 0.600 CA 0.955 7 residues pruned to eliminate duplicates Z: 42 19.014 2.024 0.540 0.362 0.854 0.390 CB 1.295 42 residues pruned to eliminate duplicates Z: 19 26.807 2.029 0.769 0.930 1.000 0.833 CB 1.231 19 residues pruned to eliminate duplicates Z: 6 2.241 1.395 0.270 0.100 1.000 0.400 CB 0.943 6 residues pruned to eliminate duplicates Z: 13 9.964 1.882 0.375 0.486 1.000 0.667 CA 1.128 13 residues pruned to eliminate duplicates Z: 7 5.638 1.736 0.703 0.455 0.833 0.500 CA 0.978 5 residues pruned to eliminate duplicates Z: 16 8.955 1.877 0.286 0.427 0.867 0.667 CB 1.192 16 residues pruned to eliminate duplicates Z: 7 5.275 1.408 0.669 0.479 0.833 0.333 O 1.124 7 residues pruned to eliminate duplicates Z: 6 2.749 1.678 0.380 0.286 0.600 0.400 O 1.126 Z: 10 2.653 1.612 0.379 0.291 0.778 0.222 CA 0.646 14 residues pruned to eliminate duplicates Z: 7 2.612 1.400 -0.105 0.508 0.833 0.667 CA 1.013 Z: 17 15.267 1.894 0.746 0.509 0.938 0.688 CA 1.220 12 residues pruned to eliminate duplicates Z: 20 6.807 1.574 0.571 0.335 0.737 0.368 CB 1.026 14 residues pruned to eliminate duplicates Z: 14 10.977 1.896 0.437 0.427 0.846 0.615 CA 1.425 14 residues pruned to eliminate duplicates 6 1.668 1.255 0.388 0.296 0.600 0.400 CB 0.897 ? Z: 7 5.235 1.484 0.827 0.774 0.833 0.833 CA 0.743 7 residues pruned to eliminate duplicates Z: 10 5.349 1.927 -0.062 0.306 1.000 0.556 CB 1.223 10 residues pruned to eliminate duplicates Z: 32 25.407 2.114 0.714 0.404 1.000 0.516 CB 1.393 32 residues pruned to eliminate duplicates Z: 13 7.817 1.803 0.665 0.523 0.667 0.417 CB 1.103 13 residues pruned to eliminate duplicates Z: 7 4.888 1.774 -0.068 0.610 1.000 0.500 CB 1.088 7 residues pruned to eliminate duplicates Z: 9 8.197 1.837 0.528 0.458 0.875 0.500 CB 1.232 9 residues pruned to eliminate duplicates Z: 35 23.639 1.956 0.709 0.403 0.941 0.500 CA 1.427 46 residues pruned to eliminate duplicates Z: 6 5.114 1.471 0.358 0.772 0.800 0.600 N 1.125 6 residues pruned to eliminate duplicates Z: 20 22.826 1.994 0.464 0.903 0.947 0.684 CB 1.350 20 residues pruned to eliminate duplicates Z: 8 12.591 1.764 0.343 0.799 1.000 0.857 CA 1.546 8 residues pruned to eliminate duplicates Z: 10 5.021 1.510 0.428 0.489 0.889 0.556 CB 0.883 Z: 15 19.072 1.948 0.670 0.925 0.929 0.571 CA 1.184 15 residues pruned to eliminate duplicates Z: 16 14.696 2.023 0.298 0.507 0.933 0.733 CA 1.538 16 residues pruned to eliminate duplicates Z: 8 10.470 1.924 0.292 0.901 1.000 0.429 CB 1.136 8 residues pruned to eliminate duplicates Z: 21 9.388 1.674 0.614 0.455 0.850 0.650 CB 0.958 13 residues pruned to eliminate duplicates Z: 19 11.808 1.839 0.608 0.414 0.833 0.500 CA 1.236 19 residues pruned to eliminate duplicates Z: 6 4.000 1.563 0.272 0.658 0.800 0.600 CB 0.971 Z: 6 4.107 1.840 0.181 0.674 0.800 0.800 CB 0.899 6 residues pruned to eliminate duplicates Z: 12 11.390 2.023 0.577 0.490 0.909 0.636 CA 1.196 13 residues pruned to eliminate duplicates Z: 9 13.032 1.810 0.454 0.898 1.000 0.875 CB 1.252 9 residues pruned to eliminate duplicates Z: 14 8.375 1.746 0.489 0.494 0.923 0.538 CA 0.974 14 residues pruned to eliminate duplicates Z: 8 2.667 1.738 0.351 0.278 0.714 0.286 CB 0.773 8 residues pruned to eliminate duplicates Z: 21 19.064 2.088 0.781 0.363 0.850 0.650 CA 1.563 21 residues pruned to eliminate duplicates Z: 7 2.884 1.334 0.128 0.615 1.000 0.500 CB 0.702 Z: 15 10.429 1.758 0.560 0.491 0.857 0.643 CB 1.196 13 residues pruned to eliminate duplicates Z: 9 6.347 1.781 0.264 0.477 0.875 0.625 CB 1.166 9 residues pruned to eliminate duplicates Z: 6 6.554 1.535 0.704 0.707 0.800 0.600 N 1.160 6 residues pruned to eliminate duplicates Z: 21 30.369 1.972 0.815 0.868 0.950 0.550 CB 1.460 21 residues pruned to eliminate duplicates Z: 10 15.237 2.233 0.798 0.415 1.000 0.556 CB 1.383 10 residues pruned to eliminate duplicates Z: 10 8.829 1.693 0.774 0.796 0.889 0.667 CA 0.850 10 residues pruned to eliminate duplicates Z: 17 16.560 1.946 0.734 0.474 0.938 0.562 CA 1.343 17 residues pruned to eliminate duplicates Z: 9 7.119 1.616 0.377 0.510 0.875 0.250 CA 1.281 8 residues pruned to eliminate duplicates Z: 9 7.506 1.997 0.479 0.332 0.750 0.375 CB 1.440 9 residues pruned to eliminate duplicates Z: 9 9.329 1.963 0.409 0.257 1.000 0.625 CA 1.577 10 residues pruned to eliminate duplicates Z: 16 17.873 2.004 0.696 0.542 0.933 0.600 CB 1.396 16 residues pruned to eliminate duplicates Z: 6 2.446 1.387 0.220 0.427 0.800 0.600 CA 0.872 Z: 18 21.383 2.274 0.829 0.433 0.941 0.529 CB 1.420 18 residues pruned to eliminate duplicates Z: 6 6.792 1.545 0.445 0.817 1.000 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 7 7.619 1.885 0.159 0.708 1.000 0.833 CA 1.179 7 residues pruned to eliminate duplicates Z: 18 10.723 1.932 0.595 0.316 0.824 0.471 CB 1.256 18 residues pruned to eliminate duplicates Z: 12 9.291 1.698 0.195 0.918 1.000 1.000 CB 0.973 Z: 18 10.475 1.916 0.420 0.438 0.765 0.588 CB 1.302 18 residues pruned to eliminate duplicates Z: 10 12.533 1.780 0.496 0.867 1.000 0.667 CA 1.147 10 residues pruned to eliminate duplicates Z: 7 4.516 1.394 0.629 0.497 1.000 0.500 CB 0.814 Z: 33 16.017 1.946 0.485 0.349 0.906 0.500 CB 1.274 33 residues pruned to eliminate duplicates Z: 10 8.874 1.685 0.650 0.787 0.889 0.556 CA 0.930 9 residues pruned to eliminate duplicates Z: 8 11.576 1.870 0.726 0.902 0.857 0.571 CA 1.129 8 residues pruned to eliminate duplicates Z: 9 5.840 1.948 0.271 0.345 0.875 0.250 CB 1.128 9 residues pruned to eliminate duplicates Z: 19 23.458 2.076 0.551 0.888 1.000 0.778 CB 1.238 19 residues pruned to eliminate duplicates Z: 15 9.183 1.908 0.217 0.453 1.000 0.786 CA 1.109 15 residues pruned to eliminate duplicates Z: 62 34.574 2.082 0.654 0.476 0.902 0.541 CB 1.461 62 residues pruned to eliminate duplicates Z: 6 6.087 1.693 0.403 0.601 1.000 0.600 CB 1.041 6 residues pruned to eliminate duplicates Z: 16 8.442 1.719 0.483 0.444 0.867 0.533 CB 1.045 16 residues pruned to eliminate duplicates Z: 9 10.705 1.803 0.441 0.851 1.000 0.875 CA 1.079 9 residues pruned to eliminate duplicates Z: 30 19.852 2.048 0.632 0.431 0.862 0.517 CB 1.374 30 residues pruned to eliminate duplicates Z: 63 36.871 1.964 0.629 0.582 0.935 0.516 CA 1.446 63 residues pruned to eliminate duplicates Z: 14 7.318 1.673 0.411 0.386 0.769 0.462 CB 1.262 14 residues pruned to eliminate duplicates Z: 17 16.766 1.995 0.280 0.862 0.938 0.688 CA 1.286 17 residues pruned to eliminate duplicates Z: 45 22.766 1.827 0.572 0.512 0.841 0.636 CB 1.404 30 residues pruned to eliminate duplicates Z: 15 13.013 1.900 0.482 0.471 0.929 0.714 CA 1.370 15 residues pruned to eliminate duplicates Z: 30 20.068 1.891 0.713 0.481 0.897 0.655 CB 1.308 30 residues pruned to eliminate duplicates Z: 16 10.660 1.794 0.505 0.408 0.867 0.600 CB 1.296 16 residues pruned to eliminate duplicates Z: 6 4.828 1.985 0.130 0.456 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 13 7.992 1.770 0.565 0.529 0.917 0.583 CA 0.883 13 residues pruned to eliminate duplicates Z: 8 5.964 1.560 0.495 0.503 0.857 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 8 3.474 1.497 0.449 0.512 1.000 0.286 CB 0.598 8 residues pruned to eliminate duplicates Z: 9 4.018 1.647 0.072 0.521 0.625 0.375 N 1.261 Z: 7 4.582 1.855 0.311 0.446 0.667 0.500 CA 1.221 5 residues pruned to eliminate duplicates Z: 9 4.424 1.597 0.296 0.521 0.750 0.625 CB 0.986 Z: 34 15.085 1.912 0.630 0.330 0.788 0.485 CB 1.289 41 residues pruned to eliminate duplicates Z: 11 12.431 1.901 0.539 0.633 0.900 0.700 CA 1.318 11 residues pruned to eliminate duplicates Z: 10 11.752 1.703 0.579 0.869 1.000 0.556 CA 1.064 10 residues pruned to eliminate duplicates Z: 42 17.752 1.906 0.654 0.344 0.805 0.488 CB 1.295 40 residues pruned to eliminate duplicates Z: 12 5.180 1.547 0.579 0.215 0.727 0.273 N 1.230 Z: 9 4.097 1.568 0.397 0.341 0.875 0.500 CB 0.899 9 residues pruned to eliminate duplicates Z: 27 28.450 2.029 0.492 0.713 0.962 0.885 CA 1.580 27 residues pruned to eliminate duplicates Z: 13 6.850 1.616 0.264 0.359 0.917 0.417 CA 1.230 13 residues pruned to eliminate duplicates Z: 42 42.266 2.143 0.783 0.664 0.951 0.561 CB 1.561 43 residues pruned to eliminate duplicates Z: 6 6.405 1.881 0.733 0.508 0.800 0.600 CA 1.090 6 residues pruned to eliminate duplicates Z: 10 5.667 1.608 0.284 0.613 1.000 0.667 CB 0.822 Z: 31 13.823 2.018 0.316 0.406 0.833 0.500 CB 1.259 27 residues pruned to eliminate duplicates Z: 26 12.213 1.989 0.279 0.445 0.800 0.520 CB 1.271 26 residues pruned to eliminate duplicates Z: 12 6.864 1.555 0.343 0.412 0.818 0.545 CA 1.329 12 residues pruned to eliminate duplicates Z: 9 7.513 1.837 0.328 0.569 0.875 0.625 CA 1.165 9 residues pruned to eliminate duplicates Z: 7 5.587 1.966 0.345 0.457 0.833 0.667 CB 1.081 7 residues pruned to eliminate duplicates Z: 8 3.829 1.481 0.280 0.444 0.714 0.429 CB 1.132 8 residues pruned to eliminate duplicates Z: 15 18.756 1.966 0.756 0.557 0.929 0.786 CB 1.479 15 residues pruned to eliminate duplicates 7 0.959 1.632 -0.265 0.360 0.500 0.333 CB 0.760 ? Z: 8 7.672 1.811 0.592 0.839 0.714 0.429 CB 1.051 8 residues pruned to eliminate duplicates Z: 19 22.906 1.975 0.741 0.880 0.889 0.500 CB 1.279 19 residues pruned to eliminate duplicates Z: 6 7.683 1.749 0.389 0.754 1.000 0.600 CB 1.128 Z: 6 4.607 1.522 0.435 0.492 0.800 0.600 C 1.189 Z: 8 3.788 1.589 0.120 0.436 0.714 0.714 CB 1.203 Z: 10 9.316 1.788 0.696 0.405 0.889 0.556 CB 1.273 10 residues pruned to eliminate duplicates Z: 19 25.409 2.034 0.786 0.887 0.833 0.500 CA 1.427 19 residues pruned to eliminate duplicates 7 1.103 1.407 -0.320 0.249 0.667 0.500 C 0.943 ? Z: 8 11.889 1.925 0.590 0.861 1.000 0.857 CB 1.078 8 residues pruned to eliminate duplicates Z: 13 9.496 1.972 0.273 0.555 0.917 0.583 CB 1.129 13 residues pruned to eliminate duplicates Z: 13 4.395 1.595 0.455 0.426 0.750 0.500 CB 0.787 9 residues pruned to eliminate duplicates Z: 10 14.950 1.691 0.758 0.849 1.000 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 6 8.214 1.902 0.876 0.664 1.000 0.400 CA 0.885 Z: 13 10.285 1.926 0.699 0.295 0.833 0.500 CA 1.370 13 residues pruned to eliminate duplicates Z: 9 2.498 1.505 0.174 0.303 0.625 0.375 O 0.996 Z: 6 3.814 1.752 0.191 0.389 0.800 0.400 CB 1.149 6 residues pruned to eliminate duplicates Z: 6 3.314 1.471 -0.049 0.442 1.000 0.600 C 1.125 6 residues pruned to eliminate duplicates Z: 13 8.566 1.857 0.461 0.386 0.750 0.417 CA 1.371 13 residues pruned to eliminate duplicates Z: 8 3.800 1.640 0.356 0.636 0.857 0.857 CB 0.663 8 residues pruned to eliminate duplicates Z: 12 7.911 1.886 0.482 0.429 0.818 0.273 CB 1.123 13 residues pruned to eliminate duplicates Z: 6 9.916 1.941 0.288 0.631 1.000 0.400 CB 1.569 6 residues pruned to eliminate duplicates Z: 11 9.117 1.778 0.722 0.437 0.800 0.500 CA 1.256 11 residues pruned to eliminate duplicates Z: 15 16.553 2.147 0.078 0.907 1.000 0.929 CB 1.359 15 residues pruned to eliminate duplicates Z: 20 19.488 2.111 1.036 0.382 0.842 0.684 CB 1.400 20 residues pruned to eliminate duplicates Z: 10 9.865 1.768 0.562 0.709 0.889 0.556 CB 1.108 17 residues pruned to eliminate duplicates Z: 11 5.260 1.789 0.124 0.264 0.800 0.300 CB 1.354 11 residues pruned to eliminate duplicates Z: 9 7.382 1.945 0.227 0.488 1.000 0.250 CA 1.107 9 residues pruned to eliminate duplicates Z: 6 5.025 1.579 0.360 0.571 0.800 0.800 CB 1.221 6 residues pruned to eliminate duplicates Z: 11 14.281 1.778 0.561 0.909 1.000 0.800 CB 1.154 14 residues pruned to eliminate duplicates Z: 15 12.491 1.861 0.449 0.494 0.929 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 12 14.860 1.750 0.614 0.892 1.000 0.818 CB 1.140 12 residues pruned to eliminate duplicates Z: 9 4.421 1.479 0.366 0.291 1.000 0.375 CB 0.978 Z: 12 8.531 1.799 0.452 0.574 0.818 0.455 CB 1.121 12 residues pruned to eliminate duplicates Z: 7 5.871 1.820 0.258 0.674 1.000 0.833 CA 0.892 7 residues pruned to eliminate duplicates Z: 20 21.218 2.148 0.788 0.436 0.947 0.579 CA 1.429 6 residues pruned to eliminate duplicates Z: 7 4.455 1.671 0.008 0.504 0.833 0.667 CB 1.291 Z: 18 11.350 1.839 0.436 0.366 0.882 0.529 CA 1.364 18 residues pruned to eliminate duplicates Z: 8 5.579 1.729 0.528 0.403 0.714 0.571 CA 1.237 8 residues pruned to eliminate duplicates Z: 13 8.107 1.813 0.771 0.346 0.750 0.417 CA 1.149 13 residues pruned to eliminate duplicates Z: 19 31.133 1.974 0.951 0.922 1.000 0.389 CA 1.340 19 residues pruned to eliminate duplicates Z: 8 2.825 1.454 0.302 0.266 0.857 0.286 CB 0.859 6 residues pruned to eliminate duplicates Z: 9 2.675 1.322 0.353 0.255 0.625 0.250 CA 1.120 Z: 10 17.121 2.001 0.731 0.905 0.889 0.889 CA 1.319 10 residues pruned to eliminate duplicates Z: 7 4.469 1.646 0.317 0.599 1.000 0.833 CB 0.765 Z: 11 7.040 1.764 0.354 0.319 0.800 0.500 CA 1.423 11 residues pruned to eliminate duplicates 6 1.821 1.250 -0.081 0.387 0.800 0.400 CA 1.000 ? Z: 14 11.101 1.897 0.318 0.453 1.000 0.769 CA 1.293 14 residues pruned to eliminate duplicates Z: 7 2.758 1.745 -0.019 0.678 0.500 0.333 CB 1.117 7 residues pruned to eliminate duplicates Z: 6 7.649 1.828 0.313 0.729 1.000 1.000 CB 1.159 6 residues pruned to eliminate duplicates Z: 25 31.944 2.131 0.532 0.744 1.000 0.833 CB 1.605 25 residues pruned to eliminate duplicates Z: 9 6.283 1.340 0.826 0.443 0.875 0.500 CB 1.100 Z: 35 36.603 2.099 0.776 0.676 0.941 0.735 CB 1.522 35 residues pruned to eliminate duplicates Z: 7 4.730 1.538 0.373 0.423 0.833 0.333 CB 1.189 Z: 6 6.456 1.725 0.957 0.534 0.800 0.600 CB 1.034 Z: 12 12.693 1.836 0.575 0.639 0.909 0.727 CA 1.279 12 residues pruned to eliminate duplicates Z: 22 19.696 1.938 0.484 0.686 0.905 0.762 CB 1.393 22 residues pruned to eliminate duplicates Z: 21 42.736 2.309 0.777 0.925 1.000 0.750 CB 1.633 21 residues pruned to eliminate duplicates Z: 14 4.125 1.594 0.201 0.271 0.769 0.462 CB 1.008 17 residues pruned to eliminate duplicates Z: 6 5.411 1.548 0.132 0.594 1.000 0.600 C 1.263 6 residues pruned to eliminate duplicates Z: 7 3.516 1.583 0.594 0.393 0.500 0.500 N 1.274 7 residues pruned to eliminate duplicates Z: 6 3.938 1.689 -0.093 0.627 1.000 0.600 CB 1.020 Z: 10 2.823 1.510 0.062 0.218 0.778 0.444 C 1.050 Z: 13 7.618 1.642 0.480 0.531 0.750 0.417 CB 1.170 10 residues pruned to eliminate duplicates Z: 8 2.535 1.432 0.246 0.393 0.714 0.429 O 0.842 Z: 8 4.530 1.504 0.250 0.405 0.857 0.429 CB 1.175 8 residues pruned to eliminate duplicates Z: 31 15.890 1.921 0.503 0.355 0.867 0.633 CB 1.356 33 residues pruned to eliminate duplicates Z: 10 9.200 2.190 0.302 0.248 1.000 0.444 CB 1.438 10 residues pruned to eliminate duplicates Z: 19 24.660 2.057 0.826 0.883 0.889 0.444 CB 1.259 19 residues pruned to eliminate duplicates Z: 30 11.823 1.821 0.312 0.322 0.931 0.448 CB 1.201 27 residues pruned to eliminate duplicates Z: 7 7.198 1.918 0.555 0.472 0.667 0.500 N 1.521 Z: 7 10.267 1.787 0.779 0.844 1.000 1.000 CB 0.981 Z: 36 35.009 2.171 0.631 0.636 0.943 0.629 CB 1.561 36 residues pruned to eliminate duplicates Z: 6 2.030 1.435 0.483 0.450 1.000 1.000 CB 0.449 Z: 11 8.275 1.731 0.568 0.452 0.900 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 7 3.349 1.745 0.569 0.460 0.500 0.333 CA 1.040 Z: 8 4.840 1.569 0.566 0.538 0.714 0.571 CB 1.005 8 residues pruned to eliminate duplicates Z: 12 10.305 1.735 0.539 0.592 0.909 0.545 CB 1.172 12 residues pruned to eliminate duplicates Z: 7 3.953 1.354 0.857 0.307 1.000 0.333 CA 0.796 Z: 15 8.872 1.881 0.519 0.483 0.929 0.571 CB 0.910 15 residues pruned to eliminate duplicates Z: 6 2.266 1.539 -0.232 0.350 1.000 0.400 N 1.010 6 residues pruned to eliminate duplicates Z: 28 14.608 2.073 0.558 0.327 0.852 0.519 CB 1.236 28 residues pruned to eliminate duplicates Z: 7 9.757 1.926 0.460 0.822 0.667 0.333 CA 1.608 7 residues pruned to eliminate duplicates Z: 11 5.240 1.864 0.431 0.430 0.800 0.700 CB 0.834 11 residues pruned to eliminate duplicates Z: 8 2.970 1.552 0.264 0.419 0.857 0.571 CB 0.726 Z: 6 3.372 1.624 0.317 0.299 0.800 0.400 N 1.103 Z: 35 23.835 1.974 0.672 0.500 0.912 0.529 CA 1.358 35 residues pruned to eliminate duplicates Z: 12 8.157 1.795 0.640 0.450 0.727 0.455 CA 1.209 12 residues pruned to eliminate duplicates 6 1.355 1.542 0.007 0.100 0.600 0.200 CB 1.084 ? Z: 8 2.970 1.194 0.197 0.409 0.857 0.714 N 1.008 Z: 18 11.458 2.026 0.459 0.418 0.824 0.647 CB 1.244 18 residues pruned to eliminate duplicates Z: 8 6.523 1.738 0.542 0.509 0.857 0.714 CB 1.063 8 residues pruned to eliminate duplicates Z: 35 34.023 2.036 0.625 0.699 1.000 0.794 CB 1.471 35 residues pruned to eliminate duplicates Z: 13 11.929 1.972 0.505 0.462 0.917 0.583 CA 1.316 12 residues pruned to eliminate duplicates Z: 8 11.640 1.865 0.500 0.845 1.000 0.857 CB 1.168 8 residues pruned to eliminate duplicates Z: 13 14.879 1.755 0.656 0.511 1.000 0.583 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 11.108 2.071 0.896 0.295 0.818 0.545 CB 1.312 12 residues pruned to eliminate duplicates Z: 12 12.897 1.835 0.428 0.728 1.000 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 38 22.239 1.905 0.640 0.484 0.865 0.541 CB 1.374 38 residues pruned to eliminate duplicates Z: 9 7.823 1.905 0.505 0.480 0.875 0.750 CA 1.125 9 residues pruned to eliminate duplicates Z: 10 11.700 1.820 0.580 0.622 0.889 0.778 CB 1.361 10 residues pruned to eliminate duplicates Z: 7 7.216 1.933 0.799 0.615 0.833 0.667 CB 0.912 7 residues pruned to eliminate duplicates Z: 7 9.313 1.859 0.097 0.701 1.000 0.500 CA 1.553 Z: 11 7.938 1.829 0.686 0.457 0.800 0.500 CB 1.064 7 residues pruned to eliminate duplicates Z: 17 5.723 1.768 0.262 0.286 0.688 0.438 CB 1.187 17 residues pruned to eliminate duplicates Z: 20 16.577 1.795 0.660 0.591 0.947 0.474 CA 1.234 18 residues pruned to eliminate duplicates Z: 11 9.478 1.770 0.591 0.576 0.800 0.700 CB 1.236 11 residues pruned to eliminate duplicates Z: 36 14.348 1.748 0.551 0.287 0.829 0.486 CB 1.373 36 residues pruned to eliminate duplicates Z: 14 15.344 2.065 0.192 0.760 1.000 1.000 CB 1.372 14 residues pruned to eliminate duplicates Z: 11 5.745 1.809 0.518 0.307 0.700 0.500 CB 1.172 11 residues pruned to eliminate duplicates Z: 14 8.143 1.633 0.461 0.383 0.923 0.385 N 1.162 14 residues pruned to eliminate duplicates Z: 10 9.396 1.730 0.562 0.556 1.000 0.778 CB 1.098 10 residues pruned to eliminate duplicates 7 0.939 1.272 -0.214 0.370 0.667 0.333 CB 0.661 ? Z: 10 2.318 1.562 0.179 0.241 0.778 0.556 CB 0.727 Z: 8 2.995 1.468 0.377 0.277 0.857 0.714 CB 0.842 Z: 16 4.788 1.614 0.300 0.344 0.667 0.467 CB 1.048 16 residues pruned to eliminate duplicates Z: 6 2.151 1.708 0.614 0.455 0.800 0.400 CB 0.456 6 residues pruned to eliminate duplicates Z: 9 6.788 1.826 0.220 0.372 1.000 0.625 CA 1.235 Z: 27 12.526 1.874 0.437 0.363 0.808 0.462 CB 1.309 27 residues pruned to eliminate duplicates Z: 9 5.161 1.611 0.199 0.535 1.000 0.625 CB 0.913 6 1.622 1.431 0.486 0.252 0.600 0.200 CB 0.756 ? Z: 8 3.224 1.557 0.078 0.235 0.857 0.429 C 1.152 Z: 19 10.767 1.987 0.569 0.427 0.833 0.500 CB 1.053 19 residues pruned to eliminate duplicates Z: 6 5.332 1.713 0.714 0.313 1.000 0.400 CA 0.999 4 residues pruned to eliminate duplicates Z: 9 13.300 1.869 0.644 0.783 1.000 0.750 CB 1.193 8 residues pruned to eliminate duplicates Z: 16 8.399 1.795 0.430 0.387 0.800 0.533 CB 1.191 16 residues pruned to eliminate duplicates 6 1.607 1.296 0.218 0.448 1.000 0.800 CB 0.481 ? Z: 9 4.641 1.613 0.750 0.668 0.625 0.500 CB 0.796 8 residues pruned to eliminate duplicates Z: 18 9.866 1.801 0.575 0.418 0.824 0.529 CA 1.116 18 residues pruned to eliminate duplicates Z: 10 5.698 1.403 0.768 0.342 0.778 0.333 C 1.169 Z: 9 5.391 1.494 0.718 0.409 0.750 0.500 C 1.090 Z: 10 4.424 1.637 0.084 0.481 0.889 0.667 CB 0.954 10 residues pruned to eliminate duplicates Z: 11 6.274 1.676 0.823 0.463 0.900 0.800 CB 0.749 11 residues pruned to eliminate duplicates Z: 6 3.396 1.362 0.081 0.574 1.000 0.800 CA 0.960 Z: 11 5.157 1.598 0.414 0.469 0.800 0.600 CB 0.931 11 residues pruned to eliminate duplicates Z: 17 17.156 1.872 0.869 0.483 0.938 0.750 CB 1.330 17 residues pruned to eliminate duplicates Z: 16 10.686 1.906 0.744 0.416 0.867 0.467 CB 1.046 16 residues pruned to eliminate duplicates Z: 6 2.518 1.405 0.265 0.493 0.800 0.600 CA 0.798 6 1.623 1.339 0.310 0.410 0.600 0.400 CB 0.758 ? Z: 16 12.376 1.777 0.576 0.379 0.933 0.667 CB 1.390 16 residues pruned to eliminate duplicates Z: 13 12.725 2.102 0.398 0.427 0.917 0.500 CB 1.471 13 residues pruned to eliminate duplicates Z: 10 5.265 1.461 0.745 0.385 0.778 0.444 CA 1.001 9 residues pruned to eliminate duplicates Z: 12 21.970 1.964 0.998 0.651 1.000 0.727 CA 1.466 12 residues pruned to eliminate duplicates Z: 6 3.407 1.729 -0.062 0.476 0.800 0.400 C 1.202 Z: 8 3.078 1.417 0.131 0.512 0.857 0.714 CB 0.837 8 residues pruned to eliminate duplicates Z: 8 6.103 1.815 0.345 0.434 0.857 0.571 CA 1.181 8 residues pruned to eliminate duplicates Z: 15 4.992 1.556 0.191 0.354 0.714 0.571 CA 1.181 15 residues pruned to eliminate duplicates Z: 6 3.490 1.561 -0.042 0.624 0.800 0.600 O 1.161 6 residues pruned to eliminate duplicates Z: 20 12.992 1.982 0.281 0.365 0.947 0.632 CB 1.433 20 residues pruned to eliminate duplicates 8 1.904 1.243 0.511 0.356 0.714 0.429 O 0.626 ? Z: 15 10.902 1.912 0.410 0.536 0.857 0.643 CA 1.218 15 residues pruned to eliminate duplicates Z: 21 13.102 1.887 0.350 0.342 0.950 0.550 CA 1.439 21 residues pruned to eliminate duplicates Z: 9 11.538 1.801 0.317 0.829 1.000 0.500 CA 1.294 9 residues pruned to eliminate duplicates Z: 26 10.979 1.815 0.318 0.338 0.840 0.560 CB 1.304 26 residues pruned to eliminate duplicates Z: 8 3.588 1.375 0.648 0.276 0.857 0.714 CA 0.900 Z: 7 9.350 1.829 0.303 0.569 1.000 0.500 CB 1.499 7 residues pruned to eliminate duplicates Z: 6 4.114 1.464 0.469 0.607 0.800 0.400 CA 0.966 Z: 11 5.957 1.820 0.384 0.279 0.700 0.600 CB 1.371 11 residues pruned to eliminate duplicates Z: 10 5.115 1.910 0.210 0.346 0.667 0.444 CA 1.308 10 residues pruned to eliminate duplicates Z: 36 13.775 1.851 0.413 0.356 0.829 0.600 CB 1.256 36 residues pruned to eliminate duplicates Z: 6 5.277 1.405 0.633 0.591 1.000 0.800 N 0.943 Z: 14 4.605 1.574 0.354 0.326 0.615 0.462 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 10.487 1.711 0.848 0.664 0.857 0.571 CA 1.256 8 residues pruned to eliminate duplicates Z: 8 7.252 1.933 0.536 0.339 0.857 0.714 CB 1.284 8 residues pruned to eliminate duplicates Z: 12 14.878 2.000 0.644 0.535 0.909 0.727 CA 1.450 12 residues pruned to eliminate duplicates 6 1.458 1.203 0.255 0.100 0.800 0.600 O 0.900 ? Z: 43 27.930 2.009 0.592 0.541 0.881 0.619 CA 1.470 43 residues pruned to eliminate duplicates Z: 7 6.860 1.515 0.447 0.666 1.000 0.833 CB 1.095 7 residues pruned to eliminate duplicates Z: 53 34.969 1.986 0.649 0.617 0.885 0.692 CA 1.499 54 residues pruned to eliminate duplicates Z: 9 3.622 1.624 0.225 0.279 0.875 0.625 CB 0.944 Z: 17 31.648 2.171 0.756 0.945 1.000 0.875 CB 1.437 17 residues pruned to eliminate duplicates 6 1.928 1.273 0.779 0.528 0.600 0.600 CB 0.617 ? Z: 13 10.329 1.758 0.639 0.529 0.833 0.583 CA 1.208 13 residues pruned to eliminate duplicates Z: 15 13.454 2.105 0.318 0.629 0.929 0.500 CB 1.236 15 residues pruned to eliminate duplicates Z: 13 5.947 1.733 0.314 0.371 0.833 0.417 CB 1.039 12 residues pruned to eliminate duplicates Z: 6 2.321 1.133 0.096 0.456 1.000 0.400 N 0.875 Z: 8 5.940 1.575 0.648 0.316 0.857 0.714 CA 1.236 8 residues pruned to eliminate duplicates 6 1.652 1.576 0.129 0.166 0.600 0.200 C 1.039 ? Z: 6 2.875 1.313 0.053 0.433 1.000 0.600 CA 0.997 Z: 54 37.832 2.132 0.727 0.489 0.925 0.604 CA 1.544 54 residues pruned to eliminate duplicates Z: 27 9.204 1.667 0.585 0.345 0.808 0.462 CB 1.001 37 residues pruned to eliminate duplicates Z: 15 11.073 1.721 0.524 0.480 0.929 0.643 CA 1.240 15 residues pruned to eliminate duplicates 6 1.845 1.491 0.520 0.100 0.600 0.400 CB 1.011 ? Z: 19 15.977 1.858 0.635 0.540 0.889 0.667 CA 1.341 20 residues pruned to eliminate duplicates Z: 6 3.702 1.594 0.606 0.619 0.800 0.400 C 0.722 Z: 12 3.824 1.547 0.045 0.305 0.818 0.545 CB 1.084 12 residues pruned to eliminate duplicates Z: 12 4.234 1.525 0.364 0.203 0.818 0.545 CB 1.066 12 residues pruned to eliminate duplicates Z: 8 10.875 1.913 0.483 0.431 1.000 0.143 CB 1.556 7 residues pruned to eliminate duplicates Z: 6 2.574 1.210 0.185 0.418 1.000 0.600 CB 0.875 Z: 17 17.944 1.943 0.810 0.455 1.000 0.562 CA 1.336 17 residues pruned to eliminate duplicates Z: 18 34.564 2.114 0.909 0.917 1.000 0.882 CB 1.466 18 residues pruned to eliminate duplicates Z: 6 3.984 1.472 0.137 0.704 1.000 1.000 N 0.884 Z: 6 2.096 1.589 -0.105 0.370 0.800 0.800 CA 0.947 Z: 28 15.940 2.107 0.633 0.218 0.926 0.481 CA 1.340 28 residues pruned to eliminate duplicates Z: 25 11.451 1.745 0.690 0.331 0.875 0.458 CB 1.089 25 residues pruned to eliminate duplicates Z: 6 2.224 1.455 -0.040 0.299 0.800 0.600 C 1.114 6 1.725 1.864 -0.088 0.438 0.600 0.200 CB 0.806 ? Z: 13 10.331 1.736 0.953 0.361 0.833 0.500 CB 1.226 13 residues pruned to eliminate duplicates Z: 7 9.626 2.219 0.546 0.307 1.000 0.667 CB 1.419 7 residues pruned to eliminate duplicates 6 1.142 1.479 -0.100 0.292 0.800 0.800 CB 0.606 ? Z: 9 11.533 1.754 0.585 0.843 1.000 0.500 CA 1.092 9 residues pruned to eliminate duplicates 6 1.994 1.437 0.414 0.295 0.800 0.600 CB 0.690 ? Z: 15 19.436 1.993 0.541 0.852 1.000 1.000 CA 1.252 15 residues pruned to eliminate duplicates Z: 12 8.933 1.826 0.219 0.652 0.909 0.636 CA 1.155 12 residues pruned to eliminate duplicates 9 1.588 1.203 0.265 0.184 0.750 0.500 N 0.719 ? Z: 7 3.972 1.626 0.555 0.257 0.833 0.500 CA 1.017 7 residues pruned to eliminate duplicates Z: 17 9.886 1.937 0.315 0.343 1.000 0.562 CA 1.151 17 residues pruned to eliminate duplicates Z: 11 7.452 1.762 0.106 0.858 0.700 0.500 CB 1.272 11 residues pruned to eliminate duplicates Z: 6 2.287 1.385 -0.127 0.340 1.000 0.400 CB 1.008 Z: 19 9.952 1.802 0.434 0.312 0.889 0.611 CA 1.258 19 residues pruned to eliminate duplicates Z: 8 3.066 1.382 0.224 0.435 1.000 0.714 CB 0.733 Z: 13 10.960 1.767 0.599 0.412 0.833 0.500 N 1.472 13 residues pruned to eliminate duplicates Z: 8 15.511 1.761 0.860 0.833 1.000 1.000 CA 1.342 8 residues pruned to eliminate duplicates Z: 13 10.158 1.771 0.446 0.899 1.000 0.500 CB 0.818 13 residues pruned to eliminate duplicates Z: 15 11.191 1.724 0.645 0.501 0.929 0.786 CB 1.135 15 residues pruned to eliminate duplicates Z: 6 3.501 1.367 0.073 0.554 1.000 0.400 N 1.013 Z: 8 7.054 1.749 0.608 0.437 0.857 0.429 CA 1.181 8 residues pruned to eliminate duplicates Z: 12 9.773 1.730 0.696 0.515 0.727 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 17 10.538 1.747 0.585 0.434 0.875 0.562 CB 1.164 17 residues pruned to eliminate duplicates Z: 6 6.513 1.582 0.213 0.638 1.000 0.800 O 1.333 Z: 12 9.997 1.966 0.552 0.513 0.818 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 27 23.124 2.158 0.637 0.458 0.923 0.577 CB 1.453 27 residues pruned to eliminate duplicates Z: 9 2.183 1.246 0.242 0.217 0.875 0.500 O 0.795 Z: 12 11.119 1.864 0.706 0.522 0.818 0.545 CA 1.260 12 residues pruned to eliminate duplicates Z: 10 11.670 1.965 0.536 0.386 1.000 0.444 CA 1.454 10 residues pruned to eliminate duplicates 6 1.432 1.320 0.280 0.286 0.600 0.400 C 0.804 ? Z: 13 8.201 1.699 0.670 0.478 0.833 0.417 CA 1.024 13 residues pruned to eliminate duplicates Z: 31 14.328 2.038 0.426 0.399 0.800 0.500 CB 1.251 31 residues pruned to eliminate duplicates Z: 7 3.052 1.538 0.669 0.261 0.667 0.500 CB 0.956 Z: 10 7.926 1.929 0.523 0.368 0.778 0.444 CA 1.333 10 residues pruned to eliminate duplicates Z: 71 23.185 1.967 0.560 0.315 0.814 0.486 CB 1.360 80 residues pruned to eliminate duplicates Z: 13 6.271 1.670 0.417 0.410 0.833 0.583 CB 1.009 13 residues pruned to eliminate duplicates Z: 6 3.521 1.420 0.563 0.436 0.800 0.200 CB 0.947 Z: 9 3.849 1.649 0.730 0.349 0.750 0.500 N 0.749 Using tripeptides from previous cycle as seeds Z: 10 10.812 1.923 0.533 0.431 0.889 0.667 N 1.478 10 residues pruned to eliminate duplicates Z: 6 7.636 1.672 0.888 0.317 1.000 0.600 CA 1.323 6 residues pruned to eliminate duplicates Z: 10 7.351 1.860 0.538 0.396 0.667 0.667 N 1.435 10 residues pruned to eliminate duplicates Z: 11 7.713 1.794 0.786 0.300 0.800 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 11 11.399 1.732 0.817 0.441 0.900 0.600 N 1.352 11 residues pruned to eliminate duplicates Z: 9 12.940 1.908 0.505 0.673 1.000 0.875 CA 1.359 9 residues pruned to eliminate duplicates Z: 9 14.461 1.913 0.621 0.666 1.000 0.875 CB 1.414 9 residues pruned to eliminate duplicates Z: 10 11.761 1.934 0.620 0.685 0.778 0.556 CB 1.358 13 residues pruned to eliminate duplicates Z: 12 16.276 1.781 0.793 0.836 0.909 0.636 CB 1.265 10 residues pruned to eliminate duplicates Z: 6 5.611 1.583 0.702 0.399 1.000 0.400 CA 1.036 6 residues pruned to eliminate duplicates Z: 10 7.953 1.734 0.368 0.516 0.778 0.667 CB 1.414 10 residues pruned to eliminate duplicates Z: 6 9.475 1.706 1.184 0.490 0.800 0.600 CA 1.437 6 residues pruned to eliminate duplicates Z: 6 4.747 1.404 0.346 0.689 1.000 0.800 CB 0.944 5 residues pruned to eliminate duplicates Z: 7 8.433 1.695 0.761 0.479 1.000 0.667 CB 1.178 7 residues pruned to eliminate duplicates Z: 6 4.829 1.607 1.078 0.383 1.000 0.600 CA 0.732 6 residues pruned to eliminate duplicates Z: 13 20.685 2.074 0.740 0.603 1.000 0.750 CB 1.500 16 residues pruned to eliminate duplicates Z: 6 6.270 1.535 0.744 0.435 1.000 0.800 CA 1.121 6 residues pruned to eliminate duplicates Z: 14 16.159 2.026 0.725 0.568 0.846 0.615 CB 1.419 14 residues pruned to eliminate duplicates Z: 12 19.859 2.044 0.902 0.591 0.909 0.727 CB 1.553 12 residues pruned to eliminate duplicates Z: 14 6.217 1.703 0.488 0.327 0.769 0.538 CA 1.069 14 residues pruned to eliminate duplicates Z: 15 11.184 1.818 0.672 0.405 0.929 0.571 CB 1.171 12 residues pruned to eliminate duplicates Z: 7 3.387 1.449 0.490 0.483 0.833 0.333 CA 0.783 7 residues pruned to eliminate duplicates Z: 11 7.159 2.044 0.562 0.279 0.700 0.600 CA 1.300 11 residues pruned to eliminate duplicates Z: 8 3.735 1.837 0.488 0.251 0.571 0.429 CA 1.203 8 residues pruned to eliminate duplicates Z: 15 6.726 1.914 0.421 0.262 0.643 0.429 CA 1.350 15 residues pruned to eliminate duplicates Z: 14 8.820 1.892 0.432 0.344 0.846 0.538 CA 1.264 14 residues pruned to eliminate duplicates Z: 12 7.852 1.719 0.740 0.390 0.818 0.182 CA 1.087 13 residues pruned to eliminate duplicates Z: 6 3.175 1.601 0.540 0.480 0.800 0.600 CA 0.734 6 residues pruned to eliminate duplicates Z: 14 8.595 1.756 0.567 0.404 0.846 0.385 CB 1.132 15 residues pruned to eliminate duplicates Z: 6 2.920 1.527 0.556 0.168 0.800 0.400 CA 1.028 6 residues pruned to eliminate duplicates Z: 14 6.743 1.921 0.606 0.327 0.692 0.538 CB 1.058 14 residues pruned to eliminate duplicates Z: 25 8.657 1.763 0.622 0.249 0.750 0.375 CB 1.100 25 residues pruned to eliminate duplicates Z: 22 8.353 1.780 0.705 0.281 0.714 0.476 CB 1.076 22 residues pruned to eliminate duplicates Z: 29 9.692 1.862 0.453 0.345 0.714 0.500 CB 1.122 47 residues pruned to eliminate duplicates Z: 7 4.937 1.592 0.531 0.282 0.833 0.333 CA 1.269 7 residues pruned to eliminate duplicates Z: 20 15.678 1.884 0.647 0.500 0.895 0.684 CB 1.296 20 residues pruned to eliminate duplicates Z: 19 15.019 1.867 0.707 0.495 0.889 0.500 CB 1.257 19 residues pruned to eliminate duplicates Z: 34 18.122 1.864 0.563 0.468 0.879 0.545 CB 1.273 34 residues pruned to eliminate duplicates Z: 35 18.658 1.877 0.581 0.468 0.882 0.500 CB 1.263 35 residues pruned to eliminate duplicates Z: 20 14.957 1.894 0.640 0.426 0.947 0.368 CB 1.258 20 residues pruned to eliminate duplicates Z: 14 13.501 1.935 0.480 0.471 0.923 0.385 CB 1.458 15 residues pruned to eliminate duplicates Z: 9 4.635 1.452 0.323 0.555 0.875 0.625 CB 0.924 9 residues pruned to eliminate duplicates Z: 19 14.908 1.879 0.776 0.480 0.944 0.722 CB 1.138 19 residues pruned to eliminate duplicates Z: 6 5.644 1.621 0.872 0.471 1.000 0.800 CA 0.857 6 residues pruned to eliminate duplicates Z: 13 10.107 1.771 0.369 0.499 0.917 0.750 CA 1.315 13 residues pruned to eliminate duplicates Z: 13 10.552 1.821 0.498 0.495 0.917 0.750 CA 1.224 13 residues pruned to eliminate duplicates Z: 7 7.962 2.013 0.028 0.579 1.000 0.833 CA 1.455 7 residues pruned to eliminate duplicates Z: 11 14.794 1.872 0.733 0.671 1.000 0.800 CA 1.232 13 residues pruned to eliminate duplicates Z: 6 6.686 1.782 0.542 0.356 1.000 0.600 CB 1.271 6 residues pruned to eliminate duplicates Z: 62 33.646 2.040 0.487 0.586 0.869 0.557 CB 1.506 62 residues pruned to eliminate duplicates Z: 26 33.014 2.083 0.671 0.773 1.000 0.800 CB 1.489 26 residues pruned to eliminate duplicates Z: 63 40.672 2.043 0.680 0.596 0.903 0.645 CB 1.520 63 residues pruned to eliminate duplicates Z: 58 38.274 2.047 0.713 0.572 0.912 0.649 CA 1.479 58 residues pruned to eliminate duplicates Z: 31 30.914 2.006 0.659 0.681 0.967 0.700 CA 1.485 31 residues pruned to eliminate duplicates Z: 31 29.418 1.925 0.802 0.635 0.967 0.567 CB 1.412 31 residues pruned to eliminate duplicates Z: 28 28.469 2.064 0.733 0.677 0.963 0.667 CB 1.351 28 residues pruned to eliminate duplicates Z: 18 24.901 2.147 0.533 0.821 1.000 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 32 26.054 1.983 0.597 0.589 0.903 0.548 CB 1.502 32 residues pruned to eliminate duplicates Z: 27 34.011 2.125 0.778 0.686 0.962 0.731 CB 1.548 27 residues pruned to eliminate duplicates Z: 28 29.508 2.058 0.865 0.704 0.963 0.556 CB 1.276 28 residues pruned to eliminate duplicates Z: 64 46.120 2.027 0.745 0.614 0.952 0.587 CB 1.548 67 residues pruned to eliminate duplicates Z: 30 32.024 2.043 0.902 0.665 0.862 0.483 CB 1.524 30 residues pruned to eliminate duplicates Z: 62 38.747 1.995 0.785 0.590 0.918 0.525 CB 1.392 35 residues pruned to eliminate duplicates Z: 18 25.932 2.044 0.731 0.897 0.941 0.294 CB 1.352 18 residues pruned to eliminate duplicates Z: 65 41.308 2.027 0.717 0.587 0.922 0.547 CB 1.480 65 residues pruned to eliminate duplicates Z: 27 25.040 2.072 0.793 0.687 0.885 0.577 CB 1.259 27 residues pruned to eliminate duplicates Z: 41 29.631 1.952 0.856 0.620 0.850 0.550 CB 1.358 41 residues pruned to eliminate duplicates Z: 37 30.907 2.011 0.773 0.698 0.917 0.611 CB 1.315 26 residues pruned to eliminate duplicates Z: 19 34.235 2.070 0.907 0.938 0.944 0.444 CB 1.505 19 residues pruned to eliminate duplicates Z: 12 6.345 1.695 0.530 0.277 0.909 0.636 CB 1.045 12 residues pruned to eliminate duplicates Z: 52 36.752 1.950 0.907 0.658 0.922 0.588 CB 1.297 40 residues pruned to eliminate duplicates Z: 34 22.471 1.950 0.646 0.561 0.939 0.545 CB 1.222 34 residues pruned to eliminate duplicates Z: 12 7.768 1.667 0.367 0.451 0.909 0.636 CA 1.188 12 residues pruned to eliminate duplicates Z: 15 7.979 1.657 0.532 0.274 0.857 0.357 CB 1.266 15 residues pruned to eliminate duplicates Z: 57 26.803 1.921 0.534 0.452 0.911 0.607 CA 1.402 57 residues pruned to eliminate duplicates Z: 50 39.572 2.009 0.758 0.698 0.939 0.612 CB 1.424 49 residues pruned to eliminate duplicates Z: 11 11.060 1.736 0.295 0.842 1.000 0.800 CA 1.160 11 residues pruned to eliminate duplicates Z: 19 13.424 1.811 0.222 0.619 0.944 0.722 CB 1.353 19 residues pruned to eliminate duplicates Z: 24 22.621 1.900 0.672 0.610 0.957 0.783 CB 1.399 24 residues pruned to eliminate duplicates Z: 64 43.540 2.013 0.771 0.582 0.952 0.587 CA 1.494 64 residues pruned to eliminate duplicates Z: 37 25.110 2.017 0.603 0.469 0.889 0.528 CB 1.503 37 residues pruned to eliminate duplicates Z: 25 22.589 1.909 0.617 0.641 0.917 0.417 CA 1.428 25 residues pruned to eliminate duplicates Z: 61 32.659 2.009 0.695 0.539 0.833 0.483 CB 1.430 61 residues pruned to eliminate duplicates Z: 55 26.411 1.910 0.598 0.462 0.889 0.537 CA 1.377 55 residues pruned to eliminate duplicates Z: 23 20.676 1.812 0.632 0.609 0.955 0.500 CA 1.409 23 residues pruned to eliminate duplicates Z: 58 38.553 2.015 0.737 0.594 0.912 0.526 CB 1.462 52 residues pruned to eliminate duplicates Z: 6 6.719 1.833 0.460 0.397 1.000 0.400 CA 1.252 6 residues pruned to eliminate duplicates Z: 50 40.330 2.031 0.874 0.670 0.898 0.592 CB 1.440 50 residues pruned to eliminate duplicates Z: 47 31.418 2.066 0.610 0.501 0.913 0.652 CB 1.524 47 residues pruned to eliminate duplicates Z: 21 16.341 2.083 0.700 0.314 0.850 0.500 CA 1.492 21 residues pruned to eliminate duplicates Z: 20 16.741 2.095 0.788 0.376 0.842 0.526 CA 1.390 20 residues pruned to eliminate duplicates Z: 14 18.338 2.146 0.850 0.444 0.923 0.615 CA 1.471 14 residues pruned to eliminate duplicates Z: 47 31.322 2.029 0.619 0.563 0.913 0.630 CB 1.450 47 residues pruned to eliminate duplicates Z: 23 15.509 2.060 0.642 0.339 0.773 0.500 CA 1.507 23 residues pruned to eliminate duplicates Z: 23 23.266 2.149 0.825 0.413 0.864 0.500 CA 1.605 23 residues pruned to eliminate duplicates Z: 21 15.550 2.061 0.764 0.336 0.850 0.500 CA 1.347 21 residues pruned to eliminate duplicates Z: 18 18.632 2.181 0.622 0.411 0.941 0.529 CA 1.490 18 residues pruned to eliminate duplicates Z: 45 26.264 2.008 0.701 0.440 0.886 0.568 CB 1.391 45 residues pruned to eliminate duplicates Z: 40 27.496 2.048 0.665 0.445 0.949 0.667 CB 1.440 40 residues pruned to eliminate duplicates Z: 62 42.466 2.051 0.823 0.600 0.902 0.574 CB 1.467 62 residues pruned to eliminate duplicates Z: 45 36.412 2.113 0.661 0.561 0.932 0.705 CA 1.582 45 residues pruned to eliminate duplicates Z: 20 16.043 2.119 0.817 0.353 0.737 0.526 CA 1.520 20 residues pruned to eliminate duplicates Z: 63 42.438 2.050 0.787 0.537 0.919 0.629 CB 1.542 63 residues pruned to eliminate duplicates Z: 56 40.784 2.065 0.671 0.594 0.945 0.673 CB 1.540 56 residues pruned to eliminate duplicates Z: 58 40.935 2.055 0.741 0.559 0.930 0.702 CA 1.539 24 residues pruned to eliminate duplicates Z: 7 7.048 1.859 0.683 0.744 0.833 0.167 CA 0.887 7 residues pruned to eliminate duplicates Z: 8 6.416 1.774 0.779 0.539 0.714 0.429 CA 1.036 8 residues pruned to eliminate duplicates Z: 7 6.207 1.978 0.401 0.561 0.667 0.333 CA 1.293 7 residues pruned to eliminate duplicates Z: 8 10.690 1.951 0.927 0.444 0.857 0.429 CA 1.329 18 residues pruned to eliminate duplicates Z: 8 8.442 1.818 0.921 0.596 0.857 0.429 CB 0.972 8 residues pruned to eliminate duplicates Z: 7 14.291 2.042 0.951 0.551 1.000 0.333 CA 1.393 8 residues pruned to eliminate duplicates Z: 6 5.602 1.721 0.097 0.627 1.000 0.600 CB 1.177 6 residues pruned to eliminate duplicates Z: 12 12.175 1.862 0.319 0.687 1.000 0.636 CB 1.259 12 residues pruned to eliminate duplicates Z: 10 11.457 1.947 0.493 0.691 0.889 0.667 CB 1.241 10 residues pruned to eliminate duplicates Z: 33 32.768 2.056 0.740 0.679 0.938 0.750 CA 1.465 33 residues pruned to eliminate duplicates Z: 9 7.892 1.971 0.420 0.286 1.000 0.625 CB 1.268 9 residues pruned to eliminate duplicates Z: 73 39.361 1.977 0.739 0.529 0.889 0.556 CA 1.475 73 residues pruned to eliminate duplicates Z: 35 33.820 2.055 0.715 0.627 0.971 0.471 CB 1.504 35 residues pruned to eliminate duplicates Z: 34 28.372 2.035 0.535 0.647 1.000 0.697 CA 1.378 34 residues pruned to eliminate duplicates Z: 8 6.626 1.834 0.474 0.386 0.857 0.571 CA 1.220 8 residues pruned to eliminate duplicates Z: 37 30.139 2.008 0.624 0.601 0.944 0.639 CA 1.481 35 residues pruned to eliminate duplicates Z: 13 11.553 1.699 0.400 0.707 0.917 0.833 CA 1.267 13 residues pruned to eliminate duplicates Z: 37 32.358 1.994 0.765 0.716 0.861 0.611 CA 1.463 37 residues pruned to eliminate duplicates Z: 60 36.503 2.025 0.569 0.610 0.915 0.542 CA 1.472 60 residues pruned to eliminate duplicates Z: 58 36.907 2.035 0.686 0.579 0.912 0.456 CA 1.448 58 residues pruned to eliminate duplicates Z: 46 34.588 1.944 0.791 0.644 0.933 0.600 CA 1.387 46 residues pruned to eliminate duplicates Z: 16 24.774 2.046 0.725 0.710 0.933 0.600 CB 1.604 16 residues pruned to eliminate duplicates Z: 32 22.386 2.013 0.614 0.443 0.903 0.484 CA 1.452 32 residues pruned to eliminate duplicates Z: 39 22.981 1.964 0.576 0.501 0.895 0.658 CA 1.344 37 residues pruned to eliminate duplicates Z: 12 19.027 1.971 0.760 0.867 0.909 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 76 37.831 1.974 0.650 0.568 0.853 0.560 CA 1.471 76 residues pruned to eliminate duplicates Z: 11 16.787 1.968 0.745 0.616 0.900 0.300 CA 1.539 11 residues pruned to eliminate duplicates Z: 41 31.862 1.934 0.656 0.669 0.900 0.575 CB 1.494 41 residues pruned to eliminate duplicates Z: 7 6.887 1.794 0.996 0.363 0.667 0.167 CB 1.364 7 residues pruned to eliminate duplicates Z: 28 18.775 1.965 0.639 0.501 0.815 0.481 CB 1.376 28 residues pruned to eliminate duplicates Z: 49 34.797 1.981 0.697 0.674 0.854 0.479 CA 1.489 49 residues pruned to eliminate duplicates Z: 20 20.400 1.941 0.877 0.615 0.737 0.474 CB 1.563 20 residues pruned to eliminate duplicates Z: 46 29.566 1.978 0.708 0.559 0.867 0.600 CA 1.422 46 residues pruned to eliminate duplicates Z: 29 20.365 2.002 0.661 0.481 0.786 0.536 CA 1.502 17 residues pruned to eliminate duplicates Z: 6 3.711 1.448 0.798 0.380 0.800 0.600 C 0.905 6 residues pruned to eliminate duplicates Z: 34 26.754 2.045 0.537 0.630 0.909 0.727 CA 1.442 34 residues pruned to eliminate duplicates Z: 19 14.166 1.952 0.576 0.448 0.833 0.556 CA 1.373 19 residues pruned to eliminate duplicates Z: 36 22.682 1.957 0.477 0.562 0.914 0.629 CA 1.366 36 residues pruned to eliminate duplicates Z: 16 12.163 2.049 0.422 0.498 0.867 0.600 CA 1.247 16 residues pruned to eliminate duplicates Z: 16 16.668 2.093 0.558 0.474 0.933 0.400 CA 1.452 16 residues pruned to eliminate duplicates Z: 18 13.528 1.952 0.560 0.421 0.882 0.412 CA 1.327 18 residues pruned to eliminate duplicates Z: 17 22.484 2.114 0.653 0.764 0.938 0.750 CA 1.357 17 residues pruned to eliminate duplicates Z: 41 28.287 1.981 0.458 0.612 0.975 0.600 CA 1.429 41 residues pruned to eliminate duplicates Z: 27 29.826 1.997 0.689 0.658 1.000 0.654 CA 1.497 27 residues pruned to eliminate duplicates Z: 35 33.245 2.026 0.735 0.636 0.971 0.676 CB 1.471 35 residues pruned to eliminate duplicates Z: 33 28.725 1.993 0.661 0.664 0.969 0.688 CA 1.360 33 residues pruned to eliminate duplicates Z: 72 37.173 1.973 0.618 0.538 0.887 0.634 CA 1.501 72 residues pruned to eliminate duplicates Z: 43 32.142 2.030 0.565 0.645 0.905 0.667 CA 1.507 43 residues pruned to eliminate duplicates Z: 34 33.877 2.009 0.776 0.668 0.970 0.636 CA 1.458 34 residues pruned to eliminate duplicates Z: 40 28.547 1.908 0.635 0.602 0.949 0.641 CB 1.401 40 residues pruned to eliminate duplicates Z: 17 8.159 1.820 0.397 0.261 0.812 0.375 CA 1.297 17 residues pruned to eliminate duplicates Z: 22 20.727 2.027 0.654 0.583 0.810 0.190 CA 1.539 20 residues pruned to eliminate duplicates Z: 10 8.621 1.876 0.791 0.637 0.778 0.333 CA 0.967 10 residues pruned to eliminate duplicates Z: 18 16.489 1.979 0.504 0.599 0.941 0.529 CA 1.299 19 residues pruned to eliminate duplicates Z: 8 8.566 1.720 0.688 0.808 0.857 0.429 CA 0.995 8 residues pruned to eliminate duplicates Z: 14 15.511 2.004 0.605 0.549 0.923 0.538 CA 1.382 14 residues pruned to eliminate duplicates Z: 10 12.176 1.746 0.695 0.822 1.000 0.222 CA 1.037 10 residues pruned to eliminate duplicates Z: 19 11.555 1.820 0.483 0.455 0.833 0.333 CA 1.268 19 residues pruned to eliminate duplicates Z: 11 8.709 1.918 0.574 0.566 0.700 0.400 CA 1.222 11 residues pruned to eliminate duplicates Z: 18 11.627 1.874 0.371 0.490 0.882 0.412 CA 1.257 18 residues pruned to eliminate duplicates Z: 23 15.161 1.766 0.632 0.479 0.818 0.545 CA 1.399 19 residues pruned to eliminate duplicates Z: 7 2.642 1.872 0.551 0.252 0.833 0.333 CB 0.592 7 residues pruned to eliminate duplicates Z: 34 15.662 1.958 0.525 0.353 0.818 0.515 CB 1.309 24 residues pruned to eliminate duplicates Z: 6 4.820 1.726 0.442 0.313 0.800 0.800 CA 1.332 Z: 9 7.866 1.523 0.401 0.620 1.000 0.750 N 1.163 9 residues pruned to eliminate duplicates Z: 25 16.971 1.917 0.507 0.425 0.917 0.625 CB 1.415 32 residues pruned to eliminate duplicates Z: 6 4.032 1.733 0.169 0.467 1.000 0.600 CA 0.921 6 1.937 1.272 0.757 0.265 0.800 0.600 CA 0.633 ? Z: 7 5.219 1.649 0.362 0.322 1.000 0.500 N 1.154 Z: 27 16.389 2.029 0.617 0.340 0.846 0.577 CB 1.379 34 residues pruned to eliminate duplicates Z: 32 15.199 2.072 0.441 0.351 0.839 0.484 CB 1.282 32 residues pruned to eliminate duplicates Z: 20 13.564 2.056 0.561 0.406 0.789 0.474 CB 1.355 20 residues pruned to eliminate duplicates Z: 31 16.704 2.000 0.494 0.372 0.900 0.467 CB 1.301 31 residues pruned to eliminate duplicates Z: 13 8.064 1.854 0.316 0.351 0.833 0.500 CB 1.345 13 residues pruned to eliminate duplicates Z: 30 15.474 2.095 0.493 0.340 0.828 0.517 CB 1.321 30 residues pruned to eliminate duplicates Z: 24 12.307 2.002 0.460 0.404 0.739 0.435 CB 1.315 24 residues pruned to eliminate duplicates Z: 30 14.014 2.018 0.363 0.311 0.897 0.517 CB 1.300 30 residues pruned to eliminate duplicates Z: 26 15.080 1.980 0.576 0.361 0.840 0.640 CB 1.336 26 residues pruned to eliminate duplicates Z: 31 10.670 1.925 0.353 0.292 0.767 0.433 CB 1.232 31 residues pruned to eliminate duplicates Z: 16 14.343 1.848 0.703 0.441 0.867 0.533 CA 1.442 16 residues pruned to eliminate duplicates Z: 6 5.870 1.773 0.575 0.445 0.800 0.200 CA 1.244 6 residues pruned to eliminate duplicates Z: 14 13.024 1.898 0.555 0.414 0.923 0.385 CA 1.451 14 residues pruned to eliminate duplicates Z: 19 11.247 1.810 0.446 0.314 0.833 0.556 CA 1.494 19 residues pruned to eliminate duplicates Z: 14 13.770 1.890 0.497 0.419 0.923 0.615 CA 1.591 14 residues pruned to eliminate duplicates Z: 15 11.116 1.797 0.521 0.406 0.929 0.643 CB 1.293 15 residues pruned to eliminate duplicates Z: 21 12.810 1.725 0.507 0.400 0.950 0.500 CA 1.288 17 residues pruned to eliminate duplicates Z: 15 11.158 1.848 0.433 0.401 0.857 0.571 CB 1.458 15 residues pruned to eliminate duplicates Z: 23 10.891 1.739 0.447 0.301 0.864 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 6 4.654 1.618 0.258 0.377 1.000 0.000 CB 1.167 6 residues pruned to eliminate duplicates Z: 21 7.738 1.873 0.294 0.275 0.950 0.450 CB 0.969 21 residues pruned to eliminate duplicates Z: 20 11.588 1.969 0.300 0.401 0.947 0.579 CB 1.217 21 residues pruned to eliminate duplicates Z: 24 12.914 1.998 0.377 0.379 0.870 0.565 CA 1.281 24 residues pruned to eliminate duplicates Z: 20 11.967 1.957 0.374 0.379 0.895 0.684 CB 1.298 20 residues pruned to eliminate duplicates Z: 20 10.147 1.937 0.217 0.270 0.947 0.421 CA 1.353 18 residues pruned to eliminate duplicates Z: 19 7.299 1.848 0.417 0.292 0.778 0.444 CA 1.066 19 residues pruned to eliminate duplicates Z: 33 15.182 1.975 0.418 0.335 0.875 0.594 CA 1.312 33 residues pruned to eliminate duplicates Z: 31 15.492 1.991 0.439 0.362 0.867 0.567 CA 1.321 31 residues pruned to eliminate duplicates Z: 20 9.454 1.927 0.200 0.356 0.895 0.526 CA 1.225 20 residues pruned to eliminate duplicates Z: 35 16.722 1.992 0.498 0.377 0.853 0.618 CA 1.285 35 residues pruned to eliminate duplicates Z: 17 9.723 1.862 0.410 0.407 0.938 0.688 CA 1.090 17 residues pruned to eliminate duplicates Z: 27 17.713 1.989 0.555 0.452 0.923 0.692 CA 1.278 27 residues pruned to eliminate duplicates Z: 21 10.379 1.910 0.375 0.270 1.000 0.550 CA 1.148 21 residues pruned to eliminate duplicates Z: 19 7.579 1.861 0.244 0.294 0.778 0.500 CA 1.250 19 residues pruned to eliminate duplicates Z: 27 12.993 1.898 0.515 0.282 0.846 0.500 CA 1.339 27 residues pruned to eliminate duplicates Z: 34 18.942 2.008 0.602 0.377 0.879 0.667 CA 1.330 34 residues pruned to eliminate duplicates Z: 23 9.143 1.896 0.323 0.248 0.864 0.500 CA 1.202 23 residues pruned to eliminate duplicates Z: 35 15.415 1.991 0.559 0.328 0.794 0.588 CA 1.296 35 residues pruned to eliminate duplicates Z: 22 9.032 1.886 0.327 0.243 0.810 0.619 CB 1.310 22 residues pruned to eliminate duplicates Z: 34 19.826 1.974 0.541 0.420 0.939 0.667 CA 1.313 34 residues pruned to eliminate duplicates Z: 16 16.485 1.951 0.713 0.502 0.933 0.600 CB 1.362 16 residues pruned to eliminate duplicates Z: 16 15.219 1.989 0.788 0.435 0.867 0.533 CB 1.363 16 residues pruned to eliminate duplicates Z: 36 16.838 1.939 0.474 0.384 0.914 0.600 CA 1.232 36 residues pruned to eliminate duplicates Z: 17 17.255 1.983 0.713 0.448 0.938 0.500 CB 1.428 17 residues pruned to eliminate duplicates Z: 16 18.859 1.977 0.808 0.545 0.933 0.667 CB 1.397 16 residues pruned to eliminate duplicates Z: 48 16.737 1.934 0.395 0.408 0.872 0.511 CA 1.142 48 residues pruned to eliminate duplicates Z: 15 16.857 2.047 0.843 0.426 0.857 0.571 CA 1.505 15 residues pruned to eliminate duplicates Z: 13 17.074 2.011 0.907 0.456 0.917 0.417 CB 1.466 13 residues pruned to eliminate duplicates Z: 46 22.412 1.960 0.574 0.425 0.933 0.600 CB 1.254 46 residues pruned to eliminate duplicates Z: 18 16.890 1.924 0.889 0.416 0.882 0.471 CB 1.394 18 residues pruned to eliminate duplicates Z: 11 18.458 2.085 0.983 0.548 0.900 0.600 CA 1.497 11 residues pruned to eliminate duplicates Z: 11 18.460 2.094 1.015 0.561 0.900 0.500 CA 1.448 11 residues pruned to eliminate duplicates Z: 15 10.584 1.964 0.447 0.473 0.929 0.714 CA 1.101 15 residues pruned to eliminate duplicates Z: 14 10.894 2.002 0.535 0.478 0.923 0.615 CA 1.089 14 residues pruned to eliminate duplicates Z: 15 11.324 1.891 0.576 0.427 1.000 0.714 CA 1.095 15 residues pruned to eliminate duplicates Z: 31 21.277 1.969 0.735 0.452 0.933 0.633 CB 1.279 31 residues pruned to eliminate duplicates Z: 26 17.862 1.995 0.710 0.474 0.880 0.560 CA 1.221 26 residues pruned to eliminate duplicates Z: 16 9.686 1.876 0.412 0.446 0.933 0.667 CB 1.070 16 residues pruned to eliminate duplicates Z: 13 9.893 1.951 0.397 0.489 0.917 0.667 CA 1.156 13 residues pruned to eliminate duplicates Z: 14 10.140 1.949 0.568 0.408 0.846 0.538 CA 1.197 13 residues pruned to eliminate duplicates Z: 6 2.642 1.739 0.101 0.441 1.000 0.600 CA 0.656 Z: 20 10.679 1.775 0.534 0.447 0.947 0.632 CA 1.003 21 residues pruned to eliminate duplicates Z: 22 16.125 1.953 0.405 0.421 1.000 0.571 CA 1.392 23 residues pruned to eliminate duplicates Z: 6 6.391 1.912 0.010 0.510 1.000 0.600 N 1.466 6 residues pruned to eliminate duplicates Z: 22 12.300 1.930 0.152 0.408 0.952 0.429 CA 1.396 22 residues pruned to eliminate duplicates Z: 21 10.947 1.906 0.357 0.361 0.850 0.550 CA 1.294 21 residues pruned to eliminate duplicates Z: 22 10.830 1.932 0.216 0.387 0.857 0.667 CA 1.324 22 residues pruned to eliminate duplicates Z: 22 15.184 1.886 0.331 0.430 1.000 0.476 CB 1.420 22 residues pruned to eliminate duplicates Z: 23 11.439 1.856 0.381 0.331 0.864 0.545 CB 1.326 23 residues pruned to eliminate duplicates Z: 28 12.081 1.973 0.496 0.274 0.778 0.481 CB 1.309 36 residues pruned to eliminate duplicates Z: 7 4.363 1.713 0.423 0.471 0.833 0.667 CA 0.902 7 residues pruned to eliminate duplicates Z: 19 13.122 1.904 0.454 0.379 0.944 0.556 CA 1.345 19 residues pruned to eliminate duplicates Z: 21 12.462 1.938 0.336 0.387 0.900 0.550 CB 1.348 21 residues pruned to eliminate duplicates Z: 16 12.750 1.980 0.519 0.415 0.933 0.667 CB 1.282 16 residues pruned to eliminate duplicates Z: 31 12.802 1.969 0.376 0.300 0.767 0.567 CB 1.408 31 residues pruned to eliminate duplicates Z: 16 10.593 1.941 0.483 0.296 0.933 0.533 CB 1.279 16 residues pruned to eliminate duplicates Z: 30 13.356 2.041 0.323 0.296 0.828 0.621 CB 1.394 30 residues pruned to eliminate duplicates Z: 30 13.848 2.021 0.438 0.296 0.759 0.552 CB 1.464 32 residues pruned to eliminate duplicates Z: 6 3.907 1.548 0.619 0.267 0.800 0.800 N 1.136 6 residues pruned to eliminate duplicates Z: 14 8.894 1.790 0.552 0.392 0.769 0.462 CA 1.295 13 residues pruned to eliminate duplicates Z: 6 2.065 1.556 0.858 0.144 0.800 0.600 CA 0.620 6 residues pruned to eliminate duplicates Z: 19 12.259 1.939 0.478 0.450 0.889 0.667 CB 1.194 32 residues pruned to eliminate duplicates Z: 6 6.365 2.002 0.518 0.331 1.000 0.400 CA 1.128 6 residues pruned to eliminate duplicates Z: 33 14.517 1.816 0.503 0.370 0.875 0.500 CB 1.234 33 residues pruned to eliminate duplicates Z: 11 4.397 1.855 0.389 0.205 0.900 0.300 CB 0.850 11 residues pruned to eliminate duplicates Z: 34 19.652 1.956 0.678 0.401 0.939 0.576 CB 1.231 33 residues pruned to eliminate duplicates Z: 7 3.675 1.400 0.786 0.251 0.833 0.167 N 0.959 7 residues pruned to eliminate duplicates Z: 11 8.569 1.952 0.463 0.210 0.900 0.300 N 1.486 11 residues pruned to eliminate duplicates Z: 29 15.081 2.050 0.341 0.415 0.893 0.571 CB 1.269 29 residues pruned to eliminate duplicates Z: 22 12.653 1.717 0.592 0.310 0.952 0.571 CB 1.309 22 residues pruned to eliminate duplicates Z: 15 11.877 1.990 0.670 0.408 0.857 0.643 CB 1.227 15 residues pruned to eliminate duplicates Z: 11 12.817 2.112 0.727 0.411 1.000 0.400 CB 1.219 11 residues pruned to eliminate duplicates Z: 28 17.283 2.048 0.556 0.371 0.889 0.444 CB 1.348 28 residues pruned to eliminate duplicates Z: 25 11.649 2.073 0.370 0.248 0.792 0.458 CB 1.415 25 residues pruned to eliminate duplicates Z: 21 13.669 1.910 0.528 0.375 1.000 0.550 CB 1.196 21 residues pruned to eliminate duplicates Z: 39 16.527 2.045 0.404 0.370 0.842 0.526 CB 1.275 39 residues pruned to eliminate duplicates Z: 26 14.861 2.112 0.242 0.342 0.880 0.440 CB 1.529 26 residues pruned to eliminate duplicates Z: 34 15.391 2.026 0.484 0.387 0.788 0.545 CB 1.276 34 residues pruned to eliminate duplicates Z: 28 18.194 2.067 0.493 0.408 0.926 0.481 CB 1.350 28 residues pruned to eliminate duplicates Z: 37 15.740 2.052 0.389 0.324 0.833 0.611 CB 1.339 37 residues pruned to eliminate duplicates Z: 30 16.949 2.027 0.418 0.381 0.897 0.621 CB 1.386 30 residues pruned to eliminate duplicates Z: 15 12.625 2.194 0.310 0.343 0.857 0.500 CB 1.624 15 residues pruned to eliminate duplicates Z: 13 12.342 2.215 0.438 0.400 0.833 0.583 CB 1.491 13 residues pruned to eliminate duplicates Z: 46 19.970 2.065 0.488 0.334 0.822 0.422 CB 1.414 46 residues pruned to eliminate duplicates Z: 13 11.410 2.132 0.355 0.436 0.833 0.417 CB 1.463 13 residues pruned to eliminate duplicates Z: 16 8.310 1.879 0.366 0.365 0.867 0.467 CB 1.114 16 residues pruned to eliminate duplicates Z: 38 19.537 2.049 0.572 0.364 0.892 0.486 CB 1.293 38 residues pruned to eliminate duplicates Z: 19 7.589 2.009 0.100 0.351 0.722 0.500 CB 1.316 19 residues pruned to eliminate duplicates Z: 24 7.718 1.873 0.261 0.255 0.696 0.348 CA 1.297 24 residues pruned to eliminate duplicates Z: 33 12.828 2.072 0.426 0.271 0.688 0.344 CB 1.448 33 residues pruned to eliminate duplicates Z: 45 16.045 1.994 0.484 0.339 0.750 0.409 CB 1.299 45 residues pruned to eliminate duplicates Z: 31 11.888 2.102 0.426 0.261 0.700 0.367 CB 1.360 31 residues pruned to eliminate duplicates Z: 27 15.820 2.152 0.500 0.298 0.808 0.462 CB 1.491 27 residues pruned to eliminate duplicates Z: 51 19.603 2.067 0.567 0.300 0.800 0.500 CB 1.337 51 residues pruned to eliminate duplicates Z: 14 7.388 2.130 0.478 0.153 0.692 0.231 CA 1.441 14 residues pruned to eliminate duplicates Z: 13 9.285 2.097 0.590 0.207 0.750 0.417 CA 1.516 13 residues pruned to eliminate duplicates Z: 18 6.737 1.803 0.511 0.175 0.765 0.353 CB 1.163 18 residues pruned to eliminate duplicates Z: 35 12.419 1.879 0.488 0.381 0.735 0.441 CB 1.176 35 residues pruned to eliminate duplicates Z: 20 9.278 1.947 0.639 0.229 0.632 0.211 CB 1.448 20 residues pruned to eliminate duplicates Z: 12 9.280 2.096 0.465 0.285 0.818 0.364 CB 1.418 12 residues pruned to eliminate duplicates Z: 24 11.214 2.061 0.386 0.252 0.783 0.348 CA 1.391 24 residues pruned to eliminate duplicates Z: 14 8.746 2.030 0.495 0.300 0.769 0.308 CB 1.299 14 residues pruned to eliminate duplicates Z: 49 16.082 2.061 0.373 0.275 0.771 0.375 CB 1.373 49 residues pruned to eliminate duplicates Z: 12 12.497 2.028 0.619 0.237 0.909 0.364 N 1.713 12 residues pruned to eliminate duplicates Z: 25 15.604 1.970 0.588 0.423 0.792 0.458 CB 1.393 25 residues pruned to eliminate duplicates Z: 21 13.011 2.009 0.683 0.167 0.850 0.300 CA 1.519 21 residues pruned to eliminate duplicates Z: 13 9.880 1.762 0.362 0.511 0.917 0.500 CA 1.283 Z: 10 8.141 1.845 0.529 0.550 0.778 0.667 CB 1.178 10 residues pruned to eliminate duplicates Z: 13 7.677 1.818 0.560 0.364 0.750 0.417 CA 1.206 13 residues pruned to eliminate duplicates Z: 35 30.450 2.010 0.552 0.677 0.941 0.676 CB 1.510 35 residues pruned to eliminate duplicates Z: 44 26.325 2.051 0.439 0.527 0.837 0.605 CB 1.582 44 residues pruned to eliminate duplicates Z: 29 26.168 2.030 0.478 0.696 0.929 0.750 CB 1.484 29 residues pruned to eliminate duplicates Z: 50 37.629 2.148 0.603 0.503 0.959 0.653 CB 1.623 50 residues pruned to eliminate duplicates Z: 6 3.796 1.530 0.428 0.378 0.800 0.800 CA 1.106 Z: 28 30.806 2.067 0.621 0.695 0.963 0.852 CB 1.538 33 residues pruned to eliminate duplicates Z: 21 20.680 2.019 0.305 0.838 1.000 0.800 CB 1.311 21 residues pruned to eliminate duplicates Z: 22 24.085 2.085 0.514 0.702 0.905 0.714 CB 1.531 22 residues pruned to eliminate duplicates Z: 29 29.113 2.045 0.560 0.742 0.964 0.786 CB 1.440 28 residues pruned to eliminate duplicates Z: 20 21.824 1.961 0.548 0.886 1.000 0.579 CB 1.190 20 residues pruned to eliminate duplicates Z: 22 31.367 2.211 0.535 0.684 1.000 0.810 CA 1.704 22 residues pruned to eliminate duplicates Z: 24 35.709 2.156 0.650 0.786 1.000 0.783 CB 1.628 24 residues pruned to eliminate duplicates Z: 29 34.011 2.020 0.682 0.748 1.000 0.714 CB 1.516 29 residues pruned to eliminate duplicates Z: 27 32.020 2.045 0.698 0.760 0.923 0.654 CB 1.555 27 residues pruned to eliminate duplicates Z: 26 23.979 2.011 0.728 0.618 0.880 0.600 CB 1.403 26 residues pruned to eliminate duplicates Z: 35 28.062 1.911 0.688 0.666 0.912 0.676 CB 1.403 35 residues pruned to eliminate duplicates Z: 27 25.031 1.968 0.668 0.661 0.923 0.654 CB 1.396 27 residues pruned to eliminate duplicates Z: 27 31.297 2.050 0.698 0.753 0.923 0.654 CB 1.524 27 residues pruned to eliminate duplicates Z: 26 21.872 2.057 0.611 0.480 0.880 0.400 CB 1.531 26 residues pruned to eliminate duplicates Z: 25 33.672 2.179 0.738 0.635 0.958 0.542 CB 1.667 25 residues pruned to eliminate duplicates Z: 50 37.236 2.208 0.688 0.494 0.918 0.531 CB 1.563 50 residues pruned to eliminate duplicates Z: 33 22.399 2.121 0.662 0.349 0.938 0.469 CB 1.411 33 residues pruned to eliminate duplicates Z: 55 36.817 2.160 0.606 0.479 0.963 0.611 CB 1.531 29 residues pruned to eliminate duplicates Z: 6 8.220 1.699 1.369 0.342 1.000 0.600 CB 1.085 6 residues pruned to eliminate duplicates Z: 34 19.879 2.072 0.676 0.366 0.818 0.424 CB 1.406 34 residues pruned to eliminate duplicates Z: 29 21.190 2.047 0.732 0.397 0.893 0.679 CB 1.411 29 residues pruned to eliminate duplicates Z: 29 24.301 2.226 0.658 0.417 0.929 0.571 CB 1.462 29 residues pruned to eliminate duplicates Z: 26 24.689 2.245 0.630 0.445 0.960 0.680 CB 1.488 26 residues pruned to eliminate duplicates Z: 54 39.756 2.191 0.765 0.507 0.887 0.566 CB 1.582 54 residues pruned to eliminate duplicates Z: 27 25.549 2.203 0.754 0.430 0.923 0.577 CA 1.511 27 residues pruned to eliminate duplicates Z: 57 37.433 2.137 0.650 0.485 0.929 0.571 CA 1.550 57 residues pruned to eliminate duplicates Z: 54 37.789 2.183 0.698 0.474 0.943 0.547 CB 1.523 54 residues pruned to eliminate duplicates Z: 28 26.244 2.236 0.752 0.391 0.926 0.481 CB 1.563 28 residues pruned to eliminate duplicates Z: 37 22.743 2.080 0.616 0.424 0.833 0.417 CB 1.464 37 residues pruned to eliminate duplicates Z: 6 4.605 1.633 0.354 0.350 1.000 0.800 CA 1.095 6 residues pruned to eliminate duplicates Z: 27 24.833 2.210 0.707 0.420 0.923 0.500 CA 1.520 27 residues pruned to eliminate duplicates Z: 66 34.905 2.094 0.692 0.422 0.877 0.492 CB 1.512 66 residues pruned to eliminate duplicates Z: 33 23.844 2.143 0.582 0.378 0.969 0.469 CB 1.461 33 residues pruned to eliminate duplicates Z: 11 11.398 1.873 0.553 0.631 0.900 0.600 CB 1.217 11 residues pruned to eliminate duplicates Z: 30 23.443 2.133 0.707 0.407 0.931 0.552 CB 1.416 30 residues pruned to eliminate duplicates Z: 27 24.921 2.211 0.739 0.460 0.923 0.654 CB 1.434 27 residues pruned to eliminate duplicates Z: 9 12.302 1.788 0.508 0.877 1.000 0.750 CA 1.171 9 residues pruned to eliminate duplicates Z: 54 40.041 2.152 0.800 0.478 0.925 0.453 CB 1.570 54 residues pruned to eliminate duplicates Z: 31 26.793 2.182 0.864 0.360 0.900 0.467 CB 1.554 31 residues pruned to eliminate duplicates Z: 27 26.108 2.213 0.772 0.410 0.923 0.462 CB 1.554 27 residues pruned to eliminate duplicates Z: 17 8.812 1.692 0.601 0.372 0.875 0.500 CB 1.067 17 residues pruned to eliminate duplicates Z: 12 12.271 1.997 0.558 0.469 0.909 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 8 7.755 1.684 1.054 0.417 0.857 0.571 CB 1.077 7 residues pruned to eliminate duplicates Z: 6 4.100 1.691 0.229 0.409 1.000 0.600 CA 0.970 6 residues pruned to eliminate duplicates Z: 12 9.742 1.991 0.552 0.388 0.818 0.364 CB 1.309 12 residues pruned to eliminate duplicates Z: 15 8.816 1.847 0.736 0.339 0.714 0.429 CB 1.225 15 residues pruned to eliminate duplicates Z: 11 9.947 2.017 0.630 0.426 0.800 0.700 CB 1.292 11 residues pruned to eliminate duplicates Z: 12 9.456 1.889 0.567 0.395 0.818 0.636 CA 1.315 12 residues pruned to eliminate duplicates Z: 18 8.289 2.018 0.585 0.248 0.765 0.412 CB 1.099 18 residues pruned to eliminate duplicates Z: 12 7.365 2.065 0.702 0.206 0.818 0.182 CB 1.093 12 residues pruned to eliminate duplicates Z: 30 13.699 1.980 0.637 0.367 0.793 0.552 CB 1.142 31 residues pruned to eliminate duplicates Z: 7 6.527 2.020 0.510 0.387 0.833 0.667 CB 1.182 7 residues pruned to eliminate duplicates Z: 19 10.486 1.990 0.696 0.326 0.833 0.556 CB 1.065 19 residues pruned to eliminate duplicates Z: 17 9.788 1.973 0.636 0.337 0.875 0.562 CB 1.035 17 residues pruned to eliminate duplicates Z: 21 9.627 1.994 0.700 0.299 0.800 0.400 CB 0.994 21 residues pruned to eliminate duplicates Z: 8 7.079 2.108 0.806 0.230 0.857 0.429 CB 1.122 8 residues pruned to eliminate duplicates Z: 32 13.511 1.955 0.621 0.378 0.839 0.548 CB 1.040 32 residues pruned to eliminate duplicates Z: 30 13.436 1.976 0.636 0.351 0.862 0.483 CB 1.051 30 residues pruned to eliminate duplicates Z: 18 11.814 1.987 0.734 0.350 0.941 0.588 CB 1.039 18 residues pruned to eliminate duplicates Z: 16 9.518 1.963 0.714 0.371 0.933 0.533 CB 0.898 16 residues pruned to eliminate duplicates Z: 14 8.942 1.971 0.821 0.399 0.769 0.538 CB 0.999 14 residues pruned to eliminate duplicates Z: 6 10.329 1.943 0.764 0.712 1.000 0.800 CB 1.111 6 residues pruned to eliminate duplicates Z: 15 12.843 1.819 0.750 0.577 0.857 0.500 CA 1.168 15 residues pruned to eliminate duplicates Z: 29 15.500 1.948 0.725 0.380 0.821 0.464 CA 1.207 29 residues pruned to eliminate duplicates Z: 26 16.437 1.942 0.808 0.387 0.840 0.400 CB 1.256 26 residues pruned to eliminate duplicates Z: 31 12.761 1.908 0.566 0.358 0.833 0.500 CB 1.091 31 residues pruned to eliminate duplicates Z: 11 7.093 1.855 0.377 0.480 0.800 0.600 CA 1.120 11 residues pruned to eliminate duplicates Z: 9 9.127 1.806 0.572 0.408 0.875 0.500 CA 1.430 9 residues pruned to eliminate duplicates Z: 13 6.189 1.829 0.572 0.342 0.750 0.250 CA 0.984 13 residues pruned to eliminate duplicates Z: 12 9.021 1.873 0.636 0.408 0.818 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 12 7.636 1.824 0.677 0.456 0.727 0.455 CA 1.082 12 residues pruned to eliminate duplicates Z: 30 14.321 1.942 0.771 0.380 0.828 0.414 CB 1.062 31 residues pruned to eliminate duplicates Z: 7 6.845 1.497 0.646 0.485 1.000 0.833 O 1.151 7 residues pruned to eliminate duplicates Z: 11 8.703 1.834 0.815 0.499 0.700 0.500 CA 1.182 11 residues pruned to eliminate duplicates Z: 14 7.368 1.770 0.506 0.420 0.692 0.385 CA 1.203 14 residues pruned to eliminate duplicates Z: 9 5.899 1.555 0.830 0.608 0.625 0.500 CB 1.058 8 residues pruned to eliminate duplicates Z: 7 6.959 1.565 0.502 0.476 1.000 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 8 11.390 1.890 0.749 0.481 1.000 0.857 CB 1.327 8 residues pruned to eliminate duplicates Z: 15 10.970 2.020 0.288 0.438 0.929 0.571 CA 1.294 10 residues pruned to eliminate duplicates Z: 9 5.173 1.948 0.206 0.326 1.000 0.375 CB 0.942 9 residues pruned to eliminate duplicates Z: 16 10.604 2.010 0.360 0.450 0.867 0.533 CB 1.216 16 residues pruned to eliminate duplicates Z: 14 8.899 1.943 0.342 0.370 1.000 0.385 CB 1.089 14 residues pruned to eliminate duplicates Z: 7 4.020 1.661 0.577 0.239 0.667 0.333 CB 1.272 7 residues pruned to eliminate duplicates Z: 27 19.231 2.070 0.789 0.372 0.846 0.462 CB 1.380 34 residues pruned to eliminate duplicates Z: 23 16.531 2.139 0.809 0.332 0.864 0.500 CB 1.268 23 residues pruned to eliminate duplicates Z: 25 15.264 2.066 0.724 0.390 0.833 0.500 CB 1.180 25 residues pruned to eliminate duplicates Z: 22 19.232 2.219 0.823 0.359 0.810 0.476 CB 1.492 22 residues pruned to eliminate duplicates Z: 61 38.365 2.157 0.657 0.557 0.950 0.633 CB 1.380 32 residues pruned to eliminate duplicates Z: 7 2.856 1.549 -0.026 0.452 1.000 0.333 CB 0.812 7 residues pruned to eliminate duplicates Z: 21 19.468 2.241 1.028 0.356 0.850 0.500 CB 1.316 21 residues pruned to eliminate duplicates Z: 29 22.398 2.121 0.781 0.447 0.857 0.536 CB 1.380 29 residues pruned to eliminate duplicates Z: 28 19.820 2.139 0.754 0.477 0.815 0.519 CB 1.277 28 residues pruned to eliminate duplicates Z: 71 46.014 2.121 0.788 0.572 0.914 0.629 CB 1.480 71 residues pruned to eliminate duplicates Z: 26 20.028 2.102 1.131 0.303 0.800 0.480 CB 1.392 26 residues pruned to eliminate duplicates Z: 22 20.890 2.155 1.100 0.324 0.905 0.476 CB 1.351 22 residues pruned to eliminate duplicates Z: 22 19.019 2.186 0.826 0.384 0.905 0.429 CB 1.300 22 residues pruned to eliminate duplicates Z: 31 21.666 2.097 0.731 0.408 0.867 0.433 CB 1.386 31 residues pruned to eliminate duplicates Z: 16 12.998 2.059 0.832 0.344 0.867 0.333 CB 1.216 16 residues pruned to eliminate duplicates Z: 22 18.860 2.191 0.997 0.335 0.857 0.429 CB 1.315 22 residues pruned to eliminate duplicates Z: 15 15.339 2.183 0.861 0.390 0.857 0.500 CB 1.322 15 residues pruned to eliminate duplicates Z: 36 23.279 2.041 0.648 0.441 0.914 0.457 CB 1.359 36 residues pruned to eliminate duplicates Z: 27 17.698 2.084 0.808 0.264 0.846 0.269 CB 1.426 27 residues pruned to eliminate duplicates Z: 62 37.065 2.160 0.639 0.538 0.885 0.639 CB 1.459 56 residues pruned to eliminate duplicates Z: 6 3.025 1.478 1.031 0.362 0.800 0.600 CA 0.654 Z: 6 3.814 1.572 0.915 0.335 0.600 0.600 CA 1.131 Z: 23 43.140 2.240 0.739 0.887 1.000 0.773 CB 1.702 23 residues pruned to eliminate duplicates Z: 37 40.324 2.161 0.738 0.654 0.972 0.722 CB 1.595 58 residues pruned to eliminate duplicates Z: 23 40.747 2.152 0.800 0.867 1.000 0.773 CA 1.640 23 residues pruned to eliminate duplicates Z: 37 36.054 2.187 0.722 0.623 0.917 0.750 CB 1.550 37 residues pruned to eliminate duplicates Z: 47 33.129 2.078 0.563 0.589 0.957 0.652 CB 1.444 39 residues pruned to eliminate duplicates Z: 21 40.311 2.337 0.611 0.919 1.000 0.800 CB 1.687 21 residues pruned to eliminate duplicates Z: 38 31.987 2.175 0.609 0.603 0.892 0.595 CB 1.527 38 residues pruned to eliminate duplicates Z: 41 29.687 2.090 0.616 0.573 0.875 0.525 CA 1.481 41 residues pruned to eliminate duplicates Z: 38 33.358 2.180 0.670 0.627 0.892 0.595 CB 1.499 38 residues pruned to eliminate duplicates Z: 36 34.188 2.188 0.667 0.624 0.914 0.629 CB 1.542 36 residues pruned to eliminate duplicates Z: 35 39.706 2.191 0.632 0.670 1.000 0.647 CB 1.628 35 residues pruned to eliminate duplicates Z: 41 35.741 2.131 0.655 0.599 0.950 0.525 CB 1.535 41 residues pruned to eliminate duplicates Z: 38 32.891 2.185 0.635 0.620 0.919 0.595 CB 1.471 38 residues pruned to eliminate duplicates Z: 36 35.667 2.167 0.668 0.630 0.943 0.600 CA 1.565 36 residues pruned to eliminate duplicates Z: 43 37.719 2.142 0.744 0.637 0.929 0.571 CB 1.476 43 residues pruned to eliminate duplicates Z: 36 37.215 2.195 0.807 0.635 0.914 0.486 CA 1.528 36 residues pruned to eliminate duplicates Z: 71 40.975 2.116 0.739 0.527 0.900 0.543 CB 1.439 71 residues pruned to eliminate duplicates Z: 43 37.984 2.127 0.655 0.685 0.952 0.619 CB 1.475 43 residues pruned to eliminate duplicates Z: 40 32.332 2.098 0.698 0.576 0.923 0.590 CB 1.464 40 residues pruned to eliminate duplicates Z: 36 36.984 2.166 0.781 0.621 0.914 0.457 CB 1.582 36 residues pruned to eliminate duplicates Z: 62 47.226 2.199 0.800 0.583 0.918 0.557 CB 1.536 62 residues pruned to eliminate duplicates Z: 37 34.610 2.206 0.643 0.609 0.917 0.472 CB 1.567 37 residues pruned to eliminate duplicates Z: 39 36.736 2.151 0.915 0.578 0.895 0.421 CB 1.501 39 residues pruned to eliminate duplicates Z: 43 33.975 2.139 0.648 0.658 0.905 0.667 CB 1.420 43 residues pruned to eliminate duplicates Z: 42 42.815 2.181 0.736 0.670 0.976 0.561 CB 1.548 42 residues pruned to eliminate duplicates Z: 8 10.993 2.043 0.526 0.574 0.714 0.429 CA 1.737 Z: 8 13.033 1.723 0.711 0.650 1.000 0.429 N 1.452 8 residues pruned to eliminate duplicates Z: 10 12.382 1.910 0.477 0.527 0.889 0.444 CB 1.602 10 residues pruned to eliminate duplicates Z: 11 10.050 1.899 0.289 0.436 0.900 0.400 CB 1.542 10 residues pruned to eliminate duplicates Z: 9 9.373 1.970 0.362 0.472 0.750 0.250 O 1.694 9 residues pruned to eliminate duplicates Z: 16 8.077 1.772 0.328 0.347 0.867 0.267 CB 1.208 25 residues pruned to eliminate duplicates Z: 15 6.794 1.743 0.367 0.340 0.714 0.286 CA 1.271 Z: 12 4.659 1.771 0.155 0.371 0.636 0.364 CA 1.238 12 residues pruned to eliminate duplicates Z: 13 4.099 1.809 0.259 0.323 0.667 0.250 CB 0.948 13 residues pruned to eliminate duplicates Z: 12 8.637 1.978 0.431 0.218 0.818 0.455 N 1.565 40 residues pruned to eliminate duplicates Z: 12 7.815 1.911 0.507 0.295 0.909 0.273 CB 1.132 Z: 13 8.422 1.872 0.613 0.242 0.833 0.333 CB 1.301 12 residues pruned to eliminate duplicates Z: 8 7.395 1.965 0.388 0.304 0.857 0.429 CB 1.487 8 residues pruned to eliminate duplicates Z: 10 5.834 1.907 0.425 0.248 0.667 0.444 CB 1.435 10 residues pruned to eliminate duplicates Z: 35 17.602 1.913 0.637 0.361 0.853 0.559 CB 1.312 35 residues pruned to eliminate duplicates Z: 11 6.884 1.781 0.422 0.358 0.800 0.500 CB 1.253 11 residues pruned to eliminate duplicates Z: 34 16.736 1.936 0.435 0.403 0.909 0.667 CB 1.277 34 residues pruned to eliminate duplicates Z: 9 9.020 1.924 0.638 0.412 0.875 0.500 CB 1.267 9 residues pruned to eliminate duplicates Z: 35 17.580 1.936 0.465 0.382 0.853 0.588 CB 1.414 34 residues pruned to eliminate duplicates Z: 8 4.267 1.859 0.224 0.390 0.857 0.571 CB 0.929 8 residues pruned to eliminate duplicates Z: 35 17.173 1.932 0.522 0.370 0.882 0.588 CB 1.304 35 residues pruned to eliminate duplicates Z: 7 6.661 1.960 -0.013 0.593 1.000 0.500 CA 1.286 7 residues pruned to eliminate duplicates Z: 20 11.968 1.829 0.591 0.355 0.842 0.684 CA 1.310 20 residues pruned to eliminate duplicates Z: 12 9.145 1.907 0.372 0.416 0.909 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 26 16.128 1.915 0.513 0.381 0.920 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 25 13.904 1.975 0.372 0.362 0.875 0.500 CB 1.388 25 residues pruned to eliminate duplicates Z: 10 5.109 1.833 0.270 0.388 0.667 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 32 18.620 2.000 0.552 0.384 0.903 0.548 CB 1.350 32 residues pruned to eliminate duplicates Z: 17 13.611 2.006 0.558 0.395 0.938 0.625 CB 1.298 17 residues pruned to eliminate duplicates Z: 23 15.410 2.001 0.481 0.404 0.909 0.545 CB 1.349 23 residues pruned to eliminate duplicates Z: 21 10.068 1.832 0.551 0.277 0.800 0.450 CB 1.275 21 residues pruned to eliminate duplicates Z: 21 13.251 1.976 0.509 0.379 0.850 0.550 CB 1.330 21 residues pruned to eliminate duplicates Z: 24 17.118 1.982 0.571 0.391 0.913 0.522 CB 1.409 24 residues pruned to eliminate duplicates Z: 23 16.030 1.977 0.505 0.424 0.909 0.591 CB 1.367 23 residues pruned to eliminate duplicates Z: 11 6.656 1.919 0.457 0.318 0.700 0.400 CA 1.314 11 residues pruned to eliminate duplicates Z: 26 13.935 1.928 0.495 0.347 0.880 0.560 CB 1.297 25 residues pruned to eliminate duplicates Z: 6 2.658 1.554 0.046 0.431 1.000 0.800 CB 0.786 6 residues pruned to eliminate duplicates Z: 25 11.865 1.957 0.422 0.345 0.875 0.542 CB 1.177 25 residues pruned to eliminate duplicates Z: 26 15.079 1.989 0.463 0.324 0.880 0.400 CB 1.429 26 residues pruned to eliminate duplicates Z: 6 4.358 1.778 0.156 0.482 0.800 0.800 CB 1.206 6 residues pruned to eliminate duplicates Z: 29 15.133 1.887 0.440 0.373 0.929 0.571 CB 1.299 26 residues pruned to eliminate duplicates Z: 8 6.015 1.680 0.245 0.781 0.714 0.571 CA 1.187 8 residues pruned to eliminate duplicates Z: 15 12.275 1.849 0.576 0.443 0.786 0.500 CB 1.520 14 residues pruned to eliminate duplicates Z: 8 14.083 1.846 0.406 0.815 1.000 0.429 CA 1.560 8 residues pruned to eliminate duplicates Z: 13 10.291 1.849 0.337 0.482 0.917 0.417 CA 1.335 13 residues pruned to eliminate duplicates Z: 15 10.195 1.818 0.588 0.464 0.786 0.214 CB 1.247 15 residues pruned to eliminate duplicates Z: 9 6.955 1.918 0.296 0.540 0.625 0.000 CA 1.522 9 residues pruned to eliminate duplicates Z: 14 12.300 1.950 0.662 0.475 0.692 0.308 CB 1.560 14 residues pruned to eliminate duplicates 717 residues left after pruning, divided into chains as follows: A: 12 B: 7 C: 8 D: 14 E: 14 F: 15 G: 39 H: 31 I: 58 J: 7 K: 76 L: 29 M: 13 N: 49 O: 31 P: 6 Q: 118 R: 7 S: 41 T: 16 U: 7 V: 61 W: 10 X: 39 Y: 9 CC for partial structure against native data = 27.31 % ------------------------------------------------------------------------------ Global autotracing cycle 7 = 0.300, Contrast = 0.388, Connect. = 0.691 for dens.mod. cycle 1 = 0.300, Contrast = 0.448, Connect. = 0.715 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.748 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.751 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.755 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.760 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.762 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.763 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6491 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1313 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 14.488 2.039 0.814 0.727 1.000 0.750 CB 1.129 B: 15 19.318 2.153 0.162 0.870 1.000 0.786 CA 1.508 C: 52 19.844 1.979 0.430 0.283 0.882 0.529 CA 1.422 15 residues pruned to eliminate duplicates D: 21 35.952 2.299 0.516 0.936 1.000 0.900 CB 1.606 E: 33 24.285 2.123 0.523 0.544 0.906 0.562 CB 1.403 F: 11 18.665 1.962 0.750 0.925 1.000 0.900 CB 1.206 G: 29 11.873 1.899 0.470 0.349 0.786 0.536 CB 1.205 H: 11 13.586 1.954 0.565 0.869 0.800 0.800 CB 1.283 11 residues pruned to eliminate duplicates I: 21 35.490 2.297 0.502 0.916 0.950 0.900 CB 1.709 21 residues pruned to eliminate duplicates J: 21 41.364 2.286 0.752 0.924 1.000 0.900 CB 1.621 21 residues pruned to eliminate duplicates K: 16 15.706 1.960 0.681 0.534 0.867 0.733 CB 1.374 L: 8 8.819 1.860 0.145 0.769 0.857 0.857 CA 1.439 8 residues pruned to eliminate duplicates M: 18 28.047 2.049 0.650 0.934 1.000 0.765 CA 1.403 N: 17 24.592 1.880 0.769 0.922 1.000 0.812 CB 1.300 O: 11 19.866 2.051 0.436 0.801 1.000 0.900 CB 1.640 11 residues pruned to eliminate duplicates P: 15 17.027 1.999 0.714 0.524 0.929 0.643 CB 1.398 Q: 21 45.790 2.301 0.891 0.918 1.000 0.650 CB 1.659 21 residues pruned to eliminate duplicates R: 21 39.251 2.308 0.618 0.927 1.000 0.900 CB 1.647 21 residues pruned to eliminate duplicates S: 20 37.106 2.313 0.583 0.925 1.000 0.895 CB 1.632 20 residues pruned to eliminate duplicates T: 18 23.067 2.083 0.388 0.933 1.000 0.882 CA 1.350 18 residues pruned to eliminate duplicates U: 35 20.495 1.982 0.405 0.403 0.941 0.441 CA 1.485 V: 14 18.129 2.233 0.140 0.862 1.000 0.615 CB 1.451 14 residues pruned to eliminate duplicates W: 19 22.427 2.049 0.515 0.918 1.000 0.722 CB 1.201 19 residues pruned to eliminate duplicates X: 26 13.347 1.934 0.588 0.336 0.800 0.480 CA 1.300 Y: 10 13.595 1.897 0.641 0.886 0.889 0.444 CB 1.181 Z: 15 15.390 1.899 0.554 0.424 1.000 0.500 CB 1.508 Z: 12 15.452 1.988 0.620 0.927 0.909 0.818 CA 1.115 12 residues pruned to eliminate duplicates Z: 11 24.587 2.153 0.481 0.918 1.000 0.900 CB 1.720 12 residues pruned to eliminate duplicates Z: 21 44.861 2.356 0.828 0.915 0.950 0.600 CB 1.734 21 residues pruned to eliminate duplicates Z: 20 45.134 2.287 0.885 0.923 1.000 0.632 CB 1.688 21 residues pruned to eliminate duplicates Z: 14 9.818 1.997 0.843 0.327 0.769 0.462 CB 1.164 14 residues pruned to eliminate duplicates Z: 22 39.871 2.189 0.709 0.944 1.000 0.857 CB 1.611 22 residues pruned to eliminate duplicates Z: 21 13.316 1.764 0.650 0.394 0.950 0.700 CB 1.205 16 residues pruned to eliminate duplicates Z: 16 19.830 1.988 0.939 0.600 0.867 0.333 CB 1.393 11 residues pruned to eliminate duplicates Z: 11 13.361 1.949 0.506 0.516 1.000 0.800 CA 1.418 Z: 49 37.593 2.049 0.676 0.628 0.958 0.500 CB 1.462 42 residues pruned to eliminate duplicates Z: 38 32.408 1.951 0.707 0.593 1.000 0.757 CB 1.463 18 residues pruned to eliminate duplicates Z: 15 10.380 2.030 0.119 0.418 0.857 0.643 CA 1.552 Z: 9 9.793 1.809 0.553 0.516 0.875 0.625 CB 1.387 Z: 13 15.254 1.931 0.612 0.757 0.833 0.500 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 15.018 1.956 0.517 0.873 1.000 0.800 CB 1.166 11 residues pruned to eliminate duplicates Z: 14 13.025 1.881 0.223 0.879 1.000 0.846 CB 1.138 Z: 12 19.718 2.021 0.375 0.892 1.000 0.818 CB 1.538 12 residues pruned to eliminate duplicates Z: 10 10.992 1.849 0.544 0.670 1.000 0.667 CB 1.098 10 residues pruned to eliminate duplicates Z: 21 43.702 2.325 0.801 0.935 0.950 0.600 CB 1.712 21 residues pruned to eliminate duplicates Z: 7 10.650 2.060 0.262 0.762 1.000 0.833 CB 1.326 7 residues pruned to eliminate duplicates Z: 18 23.752 2.045 0.621 0.916 0.941 0.706 CA 1.304 18 residues pruned to eliminate duplicates Z: 18 24.043 2.093 0.562 0.902 0.941 0.765 CA 1.351 18 residues pruned to eliminate duplicates Z: 11 7.711 1.731 0.520 0.439 0.900 0.600 CB 1.097 11 residues pruned to eliminate duplicates Z: 12 13.202 1.791 0.392 0.872 1.000 0.818 CA 1.163 12 residues pruned to eliminate duplicates Z: 9 5.749 1.657 0.461 0.319 0.875 0.375 CA 1.172 Z: 22 41.886 2.196 0.847 0.893 1.000 0.524 CB 1.618 22 residues pruned to eliminate duplicates Z: 20 22.034 2.162 0.601 0.558 0.895 0.789 CB 1.543 15 residues pruned to eliminate duplicates Z: 19 19.500 1.849 0.535 0.914 0.944 0.833 CB 1.213 17 residues pruned to eliminate duplicates Z: 27 22.325 1.995 0.340 0.614 0.923 0.808 CA 1.593 19 residues pruned to eliminate duplicates Z: 17 16.118 1.901 0.370 0.878 0.938 0.750 CB 1.197 17 residues pruned to eliminate duplicates Z: 27 14.043 1.789 0.620 0.344 0.885 0.462 CB 1.273 Z: 20 12.669 1.880 0.284 0.376 1.000 0.474 CB 1.374 10 residues pruned to eliminate duplicates Z: 25 15.413 1.831 0.460 0.497 0.833 0.500 CA 1.417 17 residues pruned to eliminate duplicates Z: 10 10.323 1.879 0.839 0.673 0.889 0.667 CB 0.955 10 residues pruned to eliminate duplicates Z: 7 10.289 1.954 0.354 0.869 0.833 0.500 CB 1.392 7 residues pruned to eliminate duplicates Z: 10 9.150 1.766 0.616 0.758 0.889 0.556 CA 0.955 10 residues pruned to eliminate duplicates Z: 10 10.878 1.762 0.467 0.850 0.889 0.667 CA 1.169 11 residues pruned to eliminate duplicates Z: 10 12.180 1.879 0.829 0.458 1.000 0.556 CA 1.233 13 residues pruned to eliminate duplicates Z: 22 42.391 2.215 0.818 0.910 0.952 0.476 CB 1.711 22 residues pruned to eliminate duplicates Z: 30 19.848 1.972 0.840 0.410 0.862 0.586 CB 1.295 15 residues pruned to eliminate duplicates Z: 10 11.353 2.032 0.152 0.888 1.000 0.556 CB 1.164 10 residues pruned to eliminate duplicates Z: 16 8.467 1.791 0.384 0.296 0.867 0.333 CB 1.279 16 residues pruned to eliminate duplicates Z: 8 8.651 1.981 0.386 0.487 0.857 0.714 CB 1.408 Z: 6 3.726 1.609 0.060 0.477 0.800 0.600 N 1.250 6 residues pruned to eliminate duplicates Z: 26 12.101 1.852 0.459 0.286 0.920 0.520 CA 1.238 6 residues pruned to eliminate duplicates Z: 33 26.349 2.106 0.768 0.503 0.969 0.500 CB 1.287 33 residues pruned to eliminate duplicates Z: 24 12.049 1.837 0.346 0.346 0.913 0.478 CA 1.315 21 residues pruned to eliminate duplicates Z: 7 5.012 1.874 0.172 0.384 0.833 0.667 CA 1.266 7 residues pruned to eliminate duplicates Z: 18 30.886 2.084 0.897 0.938 1.000 0.824 CB 1.318 32 residues pruned to eliminate duplicates Z: 39 25.667 2.054 0.682 0.468 0.947 0.500 CB 1.314 33 residues pruned to eliminate duplicates Z: 8 4.109 1.559 0.173 0.648 0.714 0.429 CB 1.036 Z: 18 21.589 2.098 0.341 0.921 1.000 0.941 CB 1.310 18 residues pruned to eliminate duplicates Z: 35 21.743 1.985 0.576 0.406 0.912 0.529 CA 1.444 35 residues pruned to eliminate duplicates Z: 9 12.116 1.936 0.676 0.868 1.000 0.750 CA 0.965 9 residues pruned to eliminate duplicates Z: 19 21.530 2.057 0.345 0.911 1.000 0.944 CA 1.301 19 residues pruned to eliminate duplicates Z: 18 22.352 2.109 0.438 0.942 1.000 0.941 CB 1.240 18 residues pruned to eliminate duplicates Z: 11 7.979 1.939 0.170 0.464 0.800 0.800 CA 1.442 9 residues pruned to eliminate duplicates Z: 8 6.578 1.820 0.041 0.734 0.714 0.429 O 1.489 Z: 18 15.022 2.072 0.491 0.362 0.882 0.471 CA 1.551 18 residues pruned to eliminate duplicates Z: 22 35.070 2.176 0.689 0.874 0.952 0.857 CB 1.591 22 residues pruned to eliminate duplicates Z: 17 7.331 1.960 0.033 0.396 0.812 0.500 CB 1.243 15 residues pruned to eliminate duplicates Z: 34 13.902 1.892 0.519 0.274 0.848 0.455 CB 1.283 23 residues pruned to eliminate duplicates Z: 10 16.343 2.074 0.442 0.860 1.000 0.889 CB 1.339 10 residues pruned to eliminate duplicates Z: 9 10.680 1.914 0.323 0.831 0.750 0.625 CB 1.493 9 residues pruned to eliminate duplicates Z: 21 11.153 1.937 0.193 0.368 0.900 0.500 CB 1.382 21 residues pruned to eliminate duplicates Z: 14 10.054 2.014 0.579 0.436 0.769 0.615 CB 1.217 14 residues pruned to eliminate duplicates Z: 59 36.652 2.004 0.638 0.555 0.931 0.655 CA 1.493 58 residues pruned to eliminate duplicates Z: 11 8.384 2.009 0.579 0.444 0.800 0.500 CA 1.106 11 residues pruned to eliminate duplicates Z: 21 24.080 1.940 0.609 0.861 0.950 0.700 CA 1.335 21 residues pruned to eliminate duplicates Z: 8 8.770 1.973 0.099 0.533 1.000 0.714 CB 1.479 8 residues pruned to eliminate duplicates Z: 13 15.331 1.943 0.494 0.484 1.000 0.500 N 1.548 14 residues pruned to eliminate duplicates Z: 64 38.801 2.127 0.663 0.544 0.905 0.571 CB 1.464 64 residues pruned to eliminate duplicates Z: 21 14.476 1.881 0.465 0.471 0.950 0.650 CB 1.274 14 residues pruned to eliminate duplicates Z: 11 7.677 1.852 0.348 0.504 0.900 0.600 CB 1.076 Z: 12 7.880 1.691 0.805 0.384 0.818 0.455 CB 1.076 Z: 58 36.398 1.977 0.665 0.566 0.947 0.649 CA 1.450 58 residues pruned to eliminate duplicates Z: 21 29.624 2.243 0.252 0.937 1.000 1.000 CA 1.642 21 residues pruned to eliminate duplicates Z: 21 31.149 2.285 0.622 0.894 0.900 0.600 CB 1.498 21 residues pruned to eliminate duplicates Z: 19 11.302 1.959 0.394 0.358 0.889 0.556 CA 1.280 19 residues pruned to eliminate duplicates Z: 10 16.888 1.929 0.532 0.887 1.000 0.889 CA 1.373 10 residues pruned to eliminate duplicates Z: 20 12.727 1.909 0.466 0.388 0.895 0.368 CB 1.313 20 residues pruned to eliminate duplicates Z: 47 44.000 2.201 0.731 0.651 0.957 0.543 CB 1.546 47 residues pruned to eliminate duplicates Z: 11 6.913 1.894 0.172 0.310 0.900 0.600 CB 1.350 11 residues pruned to eliminate duplicates Z: 20 12.874 1.934 0.730 0.313 0.842 0.579 CB 1.289 10 residues pruned to eliminate duplicates Z: 66 40.114 2.042 0.702 0.572 0.923 0.600 CA 1.447 75 residues pruned to eliminate duplicates Z: 44 16.654 1.947 0.451 0.338 0.814 0.512 CB 1.318 21 residues pruned to eliminate duplicates Z: 11 10.974 1.677 0.400 0.847 1.000 0.700 CA 1.097 10 residues pruned to eliminate duplicates Z: 10 11.429 1.932 0.394 0.901 0.778 0.667 CB 1.299 10 residues pruned to eliminate duplicates Z: 14 6.186 1.960 -0.056 0.414 0.692 0.538 CB 1.466 14 residues pruned to eliminate duplicates Z: 16 8.385 2.053 -0.084 0.412 0.800 0.533 CA 1.577 16 residues pruned to eliminate duplicates Z: 38 26.076 1.972 0.638 0.478 0.919 0.649 CA 1.477 38 residues pruned to eliminate duplicates Z: 14 12.792 1.852 0.417 0.458 1.000 0.462 CA 1.411 15 residues pruned to eliminate duplicates Z: 7 9.046 2.052 0.188 0.514 1.000 0.333 CB 1.494 7 residues pruned to eliminate duplicates Z: 20 10.426 1.863 0.194 0.370 0.895 0.579 CA 1.382 20 residues pruned to eliminate duplicates Z: 24 12.808 1.645 0.735 0.414 0.870 0.739 CB 1.177 24 residues pruned to eliminate duplicates Z: 27 29.432 2.069 0.685 0.711 0.962 0.654 CA 1.423 27 residues pruned to eliminate duplicates Z: 37 18.608 1.925 0.592 0.361 0.861 0.472 CA 1.364 37 residues pruned to eliminate duplicates Z: 16 24.970 2.039 0.813 0.837 0.867 0.400 CB 1.506 16 residues pruned to eliminate duplicates Z: 46 29.180 1.963 0.621 0.615 0.889 0.600 CA 1.379 46 residues pruned to eliminate duplicates Z: 10 8.910 1.640 1.200 0.422 0.889 0.444 CA 1.004 12 residues pruned to eliminate duplicates Z: 16 21.442 1.896 0.828 0.572 0.933 0.600 CB 1.597 24 residues pruned to eliminate duplicates Z: 13 6.698 1.998 0.252 0.293 0.750 0.583 CB 1.300 13 residues pruned to eliminate duplicates Z: 16 11.972 1.839 0.491 0.436 0.867 0.600 CB 1.389 16 residues pruned to eliminate duplicates Z: 18 21.832 2.029 0.479 0.919 1.000 0.765 CB 1.243 18 residues pruned to eliminate duplicates Z: 12 12.693 1.726 0.545 0.861 0.818 0.727 CB 1.289 11 residues pruned to eliminate duplicates Z: 16 14.157 1.810 0.834 0.452 0.867 0.667 CB 1.335 17 residues pruned to eliminate duplicates Z: 6 5.454 2.089 0.695 0.495 0.600 0.600 CB 1.154 6 residues pruned to eliminate duplicates Z: 28 14.981 1.986 0.482 0.344 0.852 0.630 CB 1.363 28 residues pruned to eliminate duplicates Z: 8 6.813 1.918 0.315 0.866 0.571 0.571 CB 1.309 8 residues pruned to eliminate duplicates Z: 9 11.775 1.798 0.286 0.914 1.000 1.000 CA 1.273 9 residues pruned to eliminate duplicates Z: 40 15.096 1.881 0.539 0.271 0.795 0.385 CB 1.362 32 residues pruned to eliminate duplicates Z: 6 8.765 1.999 0.123 0.866 1.000 0.600 CB 1.279 6 residues pruned to eliminate duplicates Z: 10 13.562 1.937 0.289 0.905 1.000 0.778 CA 1.288 10 residues pruned to eliminate duplicates Z: 20 11.683 1.947 0.365 0.340 0.895 0.526 CA 1.342 20 residues pruned to eliminate duplicates Z: 14 8.199 1.820 0.483 0.432 0.769 0.538 CB 1.175 12 residues pruned to eliminate duplicates Z: 7 12.175 1.986 0.672 0.569 0.833 0.833 CB 1.680 8 residues pruned to eliminate duplicates Z: 10 10.813 1.667 0.469 0.577 1.000 0.778 CB 1.366 Z: 30 16.343 2.024 0.601 0.339 0.828 0.621 CB 1.348 31 residues pruned to eliminate duplicates Z: 9 13.534 1.772 0.411 0.876 1.000 0.500 O 1.391 Z: 27 24.633 1.950 0.547 0.661 1.000 0.846 CB 1.380 27 residues pruned to eliminate duplicates Z: 31 15.253 2.027 0.514 0.352 0.833 0.500 CB 1.278 31 residues pruned to eliminate duplicates Z: 33 21.963 2.064 0.629 0.375 0.906 0.594 CB 1.456 33 residues pruned to eliminate duplicates Z: 16 12.529 1.899 0.690 0.461 0.933 0.733 CB 1.124 16 residues pruned to eliminate duplicates Z: 8 4.813 2.109 0.232 0.410 0.714 0.571 CB 1.077 8 residues pruned to eliminate duplicates Z: 33 21.643 2.080 0.590 0.535 0.875 0.688 CB 1.277 33 residues pruned to eliminate duplicates Z: 7 14.973 1.913 0.494 0.879 1.000 0.833 CA 1.551 8 residues pruned to eliminate duplicates Z: 18 24.665 2.001 0.647 0.905 1.000 0.706 CB 1.292 18 residues pruned to eliminate duplicates Z: 21 42.809 2.259 0.893 0.927 0.950 0.650 CB 1.651 21 residues pruned to eliminate duplicates Z: 6 6.997 1.780 0.283 0.671 1.000 1.000 CB 1.170 6 residues pruned to eliminate duplicates Z: 19 11.790 1.835 0.422 0.381 1.000 0.667 CB 1.208 19 residues pruned to eliminate duplicates Z: 20 9.557 1.769 0.475 0.313 0.895 0.737 CB 1.155 20 residues pruned to eliminate duplicates Z: 30 12.985 1.851 0.556 0.297 0.828 0.414 CB 1.269 16 residues pruned to eliminate duplicates Z: 27 24.478 2.174 0.679 0.461 0.923 0.692 CB 1.483 27 residues pruned to eliminate duplicates Z: 15 8.151 2.078 0.083 0.348 0.786 0.500 CB 1.453 16 residues pruned to eliminate duplicates Z: 14 22.083 2.003 0.644 0.935 1.000 1.000 CA 1.297 14 residues pruned to eliminate duplicates Z: 21 43.830 2.292 0.722 0.937 1.000 0.650 CB 1.728 21 residues pruned to eliminate duplicates Z: 13 18.991 2.036 0.886 0.624 0.833 0.417 CB 1.525 13 residues pruned to eliminate duplicates Z: 19 23.224 1.815 0.741 0.870 0.944 0.667 CB 1.339 19 residues pruned to eliminate duplicates Z: 12 13.405 1.850 0.586 0.523 0.909 0.636 C 1.481 12 residues pruned to eliminate duplicates Z: 39 26.231 1.932 0.723 0.463 0.921 0.474 CA 1.442 39 residues pruned to eliminate duplicates Z: 9 12.299 1.850 0.838 0.541 1.000 0.625 CA 1.228 9 residues pruned to eliminate duplicates Z: 16 13.810 1.936 0.601 0.413 0.933 0.533 CA 1.351 16 residues pruned to eliminate duplicates Z: 20 8.876 1.869 0.233 0.327 0.842 0.579 CB 1.268 20 residues pruned to eliminate duplicates Z: 28 18.475 1.943 0.637 0.402 0.926 0.481 CB 1.338 28 residues pruned to eliminate duplicates Z: 42 37.392 2.157 0.638 0.659 0.951 0.732 CB 1.499 42 residues pruned to eliminate duplicates Z: 33 16.251 1.993 0.483 0.329 0.906 0.562 CA 1.295 33 residues pruned to eliminate duplicates Z: 12 7.865 1.867 0.756 0.374 0.909 0.545 CB 0.910 12 residues pruned to eliminate duplicates Z: 10 2.822 1.371 0.191 0.253 0.778 0.333 N 0.984 Z: 32 14.287 2.023 0.522 0.327 0.774 0.484 CB 1.302 32 residues pruned to eliminate duplicates Z: 22 20.931 2.221 0.782 0.305 0.905 0.524 CB 1.584 22 residues pruned to eliminate duplicates Z: 21 45.297 2.265 0.990 0.915 0.950 0.850 CB 1.672 21 residues pruned to eliminate duplicates Z: 45 40.619 2.143 0.745 0.683 0.955 0.591 CB 1.451 45 residues pruned to eliminate duplicates Z: 13 9.558 1.941 0.526 0.508 0.750 0.667 CB 1.232 13 residues pruned to eliminate duplicates Z: 11 15.784 1.912 0.403 0.886 1.000 1.000 CA 1.342 11 residues pruned to eliminate duplicates Z: 23 13.380 1.944 0.512 0.448 0.773 0.636 CB 1.324 23 residues pruned to eliminate duplicates Z: 9 12.106 1.751 0.679 0.810 1.000 0.875 CA 1.111 9 residues pruned to eliminate duplicates Z: 9 10.079 1.760 1.168 0.428 0.875 0.750 CA 1.150 7 residues pruned to eliminate duplicates Z: 15 9.295 2.069 0.141 0.495 0.786 0.357 CB 1.345 15 residues pruned to eliminate duplicates Z: 13 11.746 2.029 0.345 0.467 1.000 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 34 14.595 1.955 0.456 0.342 0.879 0.545 CB 1.206 34 residues pruned to eliminate duplicates Z: 13 3.972 1.773 0.160 0.272 0.667 0.250 CB 1.083 13 residues pruned to eliminate duplicates Z: 34 14.712 1.958 0.468 0.346 0.818 0.485 CB 1.287 9 residues pruned to eliminate duplicates Z: 7 11.150 1.913 0.553 0.651 0.833 0.667 CB 1.598 7 residues pruned to eliminate duplicates Z: 13 2.443 1.646 -0.161 0.265 0.667 0.500 CA 1.001 13 residues pruned to eliminate duplicates Z: 13 8.854 1.758 0.525 0.335 0.917 0.500 CA 1.245 31 residues pruned to eliminate duplicates Z: 19 32.679 2.079 0.864 0.912 1.000 0.611 CA 1.407 19 residues pruned to eliminate duplicates Z: 15 9.156 1.787 0.591 0.451 0.929 0.714 CB 0.975 Z: 13 14.430 2.129 0.847 0.357 0.917 0.500 CB 1.348 13 residues pruned to eliminate duplicates Z: 16 14.636 1.816 0.624 0.487 0.933 0.467 CA 1.392 15 residues pruned to eliminate duplicates Z: 13 10.349 1.958 0.582 0.415 0.833 0.583 CA 1.265 13 residues pruned to eliminate duplicates Z: 22 43.274 2.203 0.943 0.902 0.952 0.476 CB 1.652 22 residues pruned to eliminate duplicates Z: 48 30.524 1.943 0.580 0.608 0.894 0.617 CA 1.465 48 residues pruned to eliminate duplicates Z: 26 27.333 2.206 0.695 0.480 0.920 0.640 CB 1.622 26 residues pruned to eliminate duplicates Z: 13 9.106 1.854 0.596 0.501 0.917 0.667 CB 0.968 13 residues pruned to eliminate duplicates Z: 19 24.500 2.055 0.423 0.939 1.000 0.944 CA 1.372 19 residues pruned to eliminate duplicates Z: 7 2.406 1.367 -0.142 0.355 1.000 0.333 O 0.980 7 residues pruned to eliminate duplicates Z: 29 22.015 2.131 0.817 0.399 0.821 0.571 CB 1.455 29 residues pruned to eliminate duplicates Z: 12 17.246 2.031 0.526 0.597 1.000 0.727 CB 1.528 Z: 12 10.159 1.989 0.456 0.523 0.909 0.545 CB 1.137 14 residues pruned to eliminate duplicates Z: 7 2.660 1.498 0.396 0.432 0.500 0.333 CB 1.115 7 residues pruned to eliminate duplicates Z: 6 3.675 1.616 0.229 0.679 1.000 1.000 CB 0.702 Z: 11 6.687 1.765 0.539 0.351 0.800 0.500 N 1.143 Z: 28 10.783 2.032 0.369 0.291 0.704 0.444 CB 1.341 28 residues pruned to eliminate duplicates Z: 13 7.039 1.805 0.390 0.377 0.833 0.333 CB 1.109 13 residues pruned to eliminate duplicates Z: 16 12.642 2.022 0.362 0.405 0.867 0.600 CA 1.512 16 residues pruned to eliminate duplicates Z: 13 11.902 1.874 0.363 0.599 1.000 0.417 CB 1.225 13 residues pruned to eliminate duplicates Z: 9 7.889 1.788 0.203 0.421 1.000 0.250 CB 1.408 9 residues pruned to eliminate duplicates Z: 8 4.793 1.927 0.154 0.374 1.000 0.857 CB 0.932 8 residues pruned to eliminate duplicates Z: 7 4.900 1.723 0.019 0.398 1.000 0.500 O 1.270 Z: 32 16.421 1.964 0.613 0.365 0.935 0.645 CB 1.151 21 residues pruned to eliminate duplicates Z: 6 4.244 1.588 0.005 0.756 0.800 0.600 N 1.183 6 residues pruned to eliminate duplicates Z: 11 15.319 1.857 0.710 0.694 1.000 0.800 CA 1.278 Z: 10 10.057 1.642 0.501 0.865 1.000 0.889 CA 0.996 10 residues pruned to eliminate duplicates Z: 12 11.110 1.767 0.379 0.457 1.000 0.545 O 1.437 12 residues pruned to eliminate duplicates Z: 17 20.637 1.875 0.422 0.910 1.000 0.812 CB 1.372 17 residues pruned to eliminate duplicates Z: 13 11.468 1.607 0.470 0.764 0.917 0.500 CB 1.210 13 residues pruned to eliminate duplicates Z: 18 16.947 1.856 0.920 0.448 0.941 0.647 CB 1.293 30 residues pruned to eliminate duplicates Z: 13 8.510 2.001 0.390 0.424 0.833 0.500 CB 1.148 13 residues pruned to eliminate duplicates Z: 19 17.097 1.930 0.534 0.661 0.944 0.500 CB 1.242 19 residues pruned to eliminate duplicates Z: 33 17.668 1.971 0.546 0.380 0.812 0.406 CA 1.433 33 residues pruned to eliminate duplicates Z: 24 12.728 1.733 0.591 0.339 0.913 0.522 CB 1.257 24 residues pruned to eliminate duplicates Z: 17 23.664 1.904 0.707 0.883 1.000 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 11 7.308 1.811 0.289 0.539 0.800 0.500 CB 1.190 Z: 7 5.363 1.610 0.331 0.456 1.000 0.667 O 1.069 Z: 9 8.671 1.840 0.461 0.395 0.875 0.625 CA 1.456 9 residues pruned to eliminate duplicates Z: 28 32.827 2.032 0.680 0.765 1.000 0.815 CB 1.464 28 residues pruned to eliminate duplicates Z: 11 8.162 1.956 0.409 0.461 0.900 0.600 CA 1.083 11 residues pruned to eliminate duplicates Z: 9 8.946 1.690 0.829 0.473 0.875 0.625 CB 1.202 9 residues pruned to eliminate duplicates Z: 7 4.598 1.513 -0.085 0.602 1.000 0.333 CB 1.230 7 residues pruned to eliminate duplicates Z: 10 8.376 1.933 -0.220 0.898 1.000 0.889 CB 1.325 10 residues pruned to eliminate duplicates Z: 24 32.134 2.138 0.494 0.758 1.000 0.826 CB 1.668 24 residues pruned to eliminate duplicates Z: 8 4.857 1.700 0.320 0.571 0.857 0.429 CB 0.892 Z: 12 9.961 1.803 0.539 0.541 0.909 0.727 CB 1.143 12 residues pruned to eliminate duplicates Z: 10 12.935 2.018 0.217 0.826 0.889 0.667 CB 1.489 10 residues pruned to eliminate duplicates Z: 9 12.235 1.826 0.669 0.659 0.875 0.750 CA 1.399 9 residues pruned to eliminate duplicates Z: 73 37.920 2.042 0.564 0.574 0.889 0.500 CA 1.466 73 residues pruned to eliminate duplicates Z: 30 22.824 1.936 0.483 0.643 0.931 0.793 CB 1.387 30 residues pruned to eliminate duplicates Z: 9 9.996 1.820 0.582 0.463 1.000 0.750 CB 1.275 8 residues pruned to eliminate duplicates Z: 8 2.621 1.385 0.501 0.567 0.714 0.286 N 0.625 Z: 10 7.674 1.763 0.751 0.373 0.778 0.444 CB 1.221 8 residues pruned to eliminate duplicates Z: 12 9.980 1.794 0.271 0.719 1.000 0.545 CB 1.083 11 residues pruned to eliminate duplicates Z: 11 14.330 1.753 0.632 0.836 0.900 0.800 CB 1.317 10 residues pruned to eliminate duplicates Z: 13 9.938 1.764 0.391 0.520 0.833 0.583 N 1.375 13 residues pruned to eliminate duplicates Z: 10 12.371 2.025 0.525 0.528 0.889 0.778 CA 1.461 10 residues pruned to eliminate duplicates Z: 10 10.277 1.624 0.398 0.751 1.000 0.667 CA 1.206 9 residues pruned to eliminate duplicates Z: 6 3.714 1.581 0.412 0.457 0.800 0.400 CB 0.972 Z: 12 6.171 1.637 0.544 0.469 0.909 0.545 CB 0.836 12 residues pruned to eliminate duplicates Z: 18 35.110 2.202 0.840 0.886 0.941 0.529 CB 1.611 18 residues pruned to eliminate duplicates Z: 46 30.195 2.071 0.722 0.427 0.867 0.467 CB 1.571 53 residues pruned to eliminate duplicates Z: 7 6.896 1.602 0.220 0.664 1.000 0.667 CB 1.238 Z: 18 11.447 1.971 0.228 0.393 0.941 0.529 CA 1.365 Z: 12 13.730 1.820 0.459 0.882 1.000 0.909 CB 1.128 12 residues pruned to eliminate duplicates Z: 6 6.083 1.513 0.152 0.865 1.000 1.000 O 1.144 6 residues pruned to eliminate duplicates Z: 17 20.727 1.912 0.581 0.896 1.000 0.750 CA 1.228 17 residues pruned to eliminate duplicates Z: 40 34.178 2.070 0.647 0.676 0.923 0.641 CA 1.479 40 residues pruned to eliminate duplicates Z: 9 7.218 1.810 0.338 0.724 0.750 0.375 CB 1.148 9 residues pruned to eliminate duplicates Z: 26 18.142 1.908 0.236 0.686 0.960 0.760 CB 1.352 26 residues pruned to eliminate duplicates Z: 7 2.391 1.667 0.036 0.467 0.667 0.333 CB 0.878 Z: 16 7.611 1.750 0.301 0.359 0.867 0.400 CB 1.160 16 residues pruned to eliminate duplicates Z: 6 3.376 1.553 0.262 0.730 0.800 0.600 CA 0.784 Z: 9 7.482 1.771 0.265 0.420 1.000 0.750 CA 1.283 9 residues pruned to eliminate duplicates Z: 18 23.721 1.876 0.627 0.911 1.000 0.824 CB 1.336 18 residues pruned to eliminate duplicates Z: 26 18.438 2.086 0.713 0.421 0.920 0.440 CB 1.217 26 residues pruned to eliminate duplicates Z: 8 12.607 2.005 0.799 0.496 1.000 0.571 CA 1.327 8 residues pruned to eliminate duplicates Z: 15 17.830 2.230 0.175 0.765 0.929 0.857 CB 1.548 15 residues pruned to eliminate duplicates Z: 31 20.932 2.126 0.562 0.450 0.900 0.633 CB 1.347 31 residues pruned to eliminate duplicates Z: 12 8.012 1.758 0.390 0.517 0.818 0.545 CB 1.188 8 residues pruned to eliminate duplicates Z: 6 4.122 1.471 0.383 0.484 0.800 0.600 CA 1.151 7 residues pruned to eliminate duplicates Z: 11 8.054 1.933 0.522 0.409 0.800 0.500 CB 1.190 11 residues pruned to eliminate duplicates Z: 16 8.437 1.737 0.572 0.499 0.867 0.600 CB 0.921 16 residues pruned to eliminate duplicates Z: 12 6.785 1.759 0.412 0.314 0.818 0.636 CA 1.237 4 residues pruned to eliminate duplicates Z: 9 6.663 1.682 0.621 0.553 0.875 0.500 CA 0.938 9 residues pruned to eliminate duplicates Z: 18 25.224 2.061 0.714 0.902 0.941 0.824 CB 1.312 18 residues pruned to eliminate duplicates Z: 9 13.764 1.810 0.808 0.773 1.000 0.875 CB 1.168 9 residues pruned to eliminate duplicates Z: 10 9.259 1.681 0.965 0.470 0.889 0.556 CB 1.083 Z: 9 9.069 1.691 0.399 0.871 1.000 1.000 CA 0.989 9 residues pruned to eliminate duplicates Z: 10 12.155 1.760 0.530 0.803 0.778 0.667 CA 1.484 10 residues pruned to eliminate duplicates Z: 33 16.680 1.937 0.525 0.405 0.938 0.625 CA 1.177 33 residues pruned to eliminate duplicates Z: 23 12.113 1.858 0.476 0.350 0.909 0.409 CA 1.219 27 residues pruned to eliminate duplicates Z: 6 5.371 1.611 0.424 0.600 0.800 0.600 CA 1.189 6 residues pruned to eliminate duplicates Z: 13 17.830 1.823 0.801 0.887 1.000 0.583 CB 1.130 13 residues pruned to eliminate duplicates Z: 12 9.792 1.844 0.364 0.755 0.727 0.182 CB 1.286 12 residues pruned to eliminate duplicates Z: 8 7.725 1.867 0.207 0.495 1.000 0.714 CB 1.302 8 residues pruned to eliminate duplicates Z: 21 27.074 2.134 0.410 0.873 0.950 0.800 CB 1.542 21 residues pruned to eliminate duplicates Z: 13 7.072 1.823 0.480 0.380 0.833 0.417 CB 1.032 4 residues pruned to eliminate duplicates Z: 20 39.684 2.222 0.783 0.937 1.000 0.895 CA 1.600 20 residues pruned to eliminate duplicates Z: 23 28.110 1.848 0.887 0.834 0.909 0.636 CA 1.418 23 residues pruned to eliminate duplicates Z: 18 21.069 2.069 0.550 0.906 1.000 0.588 CB 1.134 18 residues pruned to eliminate duplicates Z: 19 9.621 1.876 0.546 0.253 0.889 0.444 CB 1.168 10 residues pruned to eliminate duplicates Z: 24 17.212 1.930 0.331 0.572 0.957 0.696 CB 1.363 24 residues pruned to eliminate duplicates Z: 7 2.287 1.705 0.690 0.660 1.000 0.667 CB 0.279 7 residues pruned to eliminate duplicates Z: 14 11.829 2.016 0.364 0.477 0.923 0.692 CA 1.323 18 residues pruned to eliminate duplicates Z: 30 17.903 1.913 0.662 0.357 0.862 0.483 CB 1.415 31 residues pruned to eliminate duplicates Z: 8 5.745 1.645 0.308 0.382 0.857 0.857 N 1.334 7 residues pruned to eliminate duplicates Z: 14 11.576 1.842 0.617 0.466 0.923 0.615 CB 1.209 14 residues pruned to eliminate duplicates Z: 11 12.241 1.906 0.620 0.476 0.900 0.700 CB 1.427 12 residues pruned to eliminate duplicates Z: 7 2.368 1.535 0.216 0.380 0.667 0.667 CB 0.883 Z: 12 4.654 1.498 0.869 0.253 0.727 0.545 CB 0.915 16 residues pruned to eliminate duplicates Z: 11 8.661 1.856 0.361 0.459 1.000 0.600 CB 1.130 11 residues pruned to eliminate duplicates Z: 16 10.920 1.814 0.508 0.442 0.867 0.467 CB 1.264 14 residues pruned to eliminate duplicates Z: 8 7.901 1.778 0.991 0.439 0.714 0.429 CB 1.258 8 residues pruned to eliminate duplicates Z: 6 3.137 1.739 -0.153 0.655 1.000 0.800 CB 0.825 6 residues pruned to eliminate duplicates 6 1.187 1.779 -0.043 0.144 0.600 0.600 CB 0.807 ? Z: 8 3.657 1.618 0.465 0.417 0.571 0.286 N 1.114 Z: 25 13.766 1.925 0.598 0.506 0.833 0.417 CB 1.090 25 residues pruned to eliminate duplicates Z: 21 15.955 1.952 0.306 0.494 0.950 0.500 CB 1.482 21 residues pruned to eliminate duplicates Z: 8 4.826 1.954 0.466 0.237 0.571 0.429 CB 1.513 Z: 13 4.266 1.620 0.063 0.345 0.750 0.500 CB 1.128 Z: 17 27.447 1.876 0.926 0.889 1.000 0.438 CB 1.367 17 residues pruned to eliminate duplicates Z: 10 4.514 1.502 0.450 0.273 0.778 0.222 C 1.149 Z: 10 16.764 1.942 0.753 0.804 1.000 0.889 CA 1.259 10 residues pruned to eliminate duplicates Z: 19 13.498 1.966 0.737 0.243 1.000 0.611 CB 1.254 19 residues pruned to eliminate duplicates Z: 10 7.068 1.721 0.651 0.388 0.889 0.556 CB 1.050 10 residues pruned to eliminate duplicates Z: 16 7.523 1.790 0.671 0.323 0.733 0.467 CB 1.077 9 residues pruned to eliminate duplicates Z: 6 3.914 1.538 0.552 0.334 0.800 0.400 N 1.099 Z: 9 10.517 1.940 0.302 0.874 1.000 0.500 CA 1.071 9 residues pruned to eliminate duplicates Z: 9 10.372 1.937 0.636 0.811 1.000 0.625 CA 0.883 9 residues pruned to eliminate duplicates Z: 9 6.781 1.632 0.681 0.537 0.875 0.500 CB 0.964 Z: 21 6.817 1.715 0.486 0.231 0.700 0.400 CB 1.169 21 residues pruned to eliminate duplicates Z: 11 11.073 1.870 0.554 0.502 1.000 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 11 5.038 1.568 0.716 0.226 0.900 0.500 CB 0.906 11 residues pruned to eliminate duplicates Z: 12 7.696 1.913 0.347 0.334 0.818 0.455 CB 1.320 Z: 34 19.238 2.006 0.499 0.427 0.939 0.667 CA 1.280 34 residues pruned to eliminate duplicates Z: 11 7.957 1.593 0.313 0.668 1.000 0.700 CA 1.030 11 residues pruned to eliminate duplicates Z: 21 19.035 2.084 0.667 0.485 0.850 0.700 CB 1.463 21 residues pruned to eliminate duplicates Z: 8 5.934 1.568 0.046 0.492 1.000 0.714 O 1.379 Z: 10 10.858 1.849 0.686 0.503 0.778 0.556 N 1.489 10 residues pruned to eliminate duplicates Z: 13 14.581 1.881 0.635 0.633 0.917 0.583 CA 1.318 13 residues pruned to eliminate duplicates Z: 15 28.848 1.982 1.052 0.917 1.000 0.500 CA 1.338 15 residues pruned to eliminate duplicates Z: 21 16.774 1.980 0.494 0.578 0.900 0.800 CB 1.306 21 residues pruned to eliminate duplicates Z: 10 14.224 1.929 0.865 0.653 0.889 0.667 CB 1.286 10 residues pruned to eliminate duplicates Z: 32 45.931 2.255 0.853 0.717 0.968 0.516 CB 1.675 32 residues pruned to eliminate duplicates Z: 40 35.305 2.144 0.651 0.671 0.949 0.692 CB 1.437 40 residues pruned to eliminate duplicates Z: 15 13.173 2.089 0.817 0.362 0.857 0.500 CA 1.255 15 residues pruned to eliminate duplicates Z: 12 4.185 1.472 0.179 0.301 0.727 0.455 CB 1.248 12 residues pruned to eliminate duplicates Z: 20 13.252 1.853 0.662 0.356 0.895 0.684 CB 1.289 16 residues pruned to eliminate duplicates Z: 8 5.142 1.835 0.221 0.466 0.857 0.286 CA 1.048 8 residues pruned to eliminate duplicates Z: 11 4.804 1.466 0.272 0.419 0.900 0.500 CB 0.985 8 residues pruned to eliminate duplicates Z: 19 11.670 1.752 0.497 0.354 0.833 0.444 CA 1.473 37 residues pruned to eliminate duplicates Z: 13 17.465 2.190 0.898 0.358 1.000 0.583 CB 1.413 13 residues pruned to eliminate duplicates Z: 16 8.306 1.815 0.548 0.233 0.733 0.533 CA 1.421 16 residues pruned to eliminate duplicates Z: 11 5.917 1.979 -0.008 0.418 0.700 0.500 CB 1.484 11 residues pruned to eliminate duplicates Z: 10 10.873 1.950 0.428 0.656 1.000 0.778 CA 1.126 11 residues pruned to eliminate duplicates Z: 9 4.076 1.855 0.373 0.380 0.750 0.375 CA 0.858 9 residues pruned to eliminate duplicates Z: 17 12.287 1.785 0.916 0.390 1.000 0.500 CB 1.009 20 residues pruned to eliminate duplicates Z: 16 15.985 1.975 0.782 0.505 0.867 0.533 CA 1.347 16 residues pruned to eliminate duplicates Z: 7 5.348 1.648 0.798 0.690 0.667 0.667 CA 0.929 Z: 6 4.360 1.775 -0.225 0.789 0.800 0.800 C 1.375 Z: 7 5.043 1.729 -0.021 0.534 0.833 0.500 CB 1.412 8 residues pruned to eliminate duplicates Z: 41 20.467 1.900 0.531 0.391 0.900 0.600 CB 1.387 41 residues pruned to eliminate duplicates Z: 22 8.562 1.912 0.290 0.297 0.810 0.476 CB 1.174 22 residues pruned to eliminate duplicates Z: 11 6.088 1.816 0.515 0.346 0.900 0.300 CB 0.919 11 residues pruned to eliminate duplicates Z: 6 5.372 1.633 0.775 0.584 0.800 0.600 CB 0.956 Z: 7 6.014 1.459 0.978 0.560 0.833 0.667 CA 0.964 7 residues pruned to eliminate duplicates Z: 6 3.783 1.502 0.346 0.687 1.000 0.600 CB 0.704 Z: 14 7.835 1.785 0.465 0.423 0.846 0.231 CB 1.064 17 residues pruned to eliminate duplicates Z: 16 10.277 1.717 0.433 0.473 0.867 0.533 CB 1.279 16 residues pruned to eliminate duplicates Z: 13 5.799 1.688 0.568 0.505 0.833 0.500 CA 0.755 13 residues pruned to eliminate duplicates Z: 16 21.167 1.965 0.769 0.916 1.000 0.533 CB 1.110 16 residues pruned to eliminate duplicates Z: 7 5.134 1.899 -0.056 0.362 1.000 0.333 CA 1.355 7 residues pruned to eliminate duplicates Z: 7 4.393 1.672 -0.145 0.609 0.833 0.333 N 1.357 7 residues pruned to eliminate duplicates Z: 11 6.552 1.900 0.533 0.298 0.700 0.500 CB 1.274 Z: 6 3.428 1.622 0.664 0.480 0.800 0.600 CA 0.724 Z: 10 4.465 1.567 0.380 0.444 0.556 0.444 N 1.313 Z: 6 2.893 1.312 0.470 0.549 0.800 0.600 CA 0.799 Z: 11 6.567 1.654 0.484 0.325 0.900 0.300 CB 1.140 11 residues pruned to eliminate duplicates Z: 9 2.957 1.610 0.061 0.349 0.750 0.500 CA 0.961 Z: 6 3.606 1.550 0.552 0.481 0.600 0.600 C 1.138 Z: 30 28.425 1.974 0.579 0.635 0.966 0.828 CB 1.545 30 residues pruned to eliminate duplicates Z: 12 7.417 1.843 0.350 0.381 0.818 0.545 CB 1.247 12 residues pruned to eliminate duplicates Z: 8 6.922 2.013 0.188 0.293 0.857 0.429 CA 1.610 8 residues pruned to eliminate duplicates Z: 23 12.069 1.758 0.662 0.411 0.773 0.682 CB 1.251 25 residues pruned to eliminate duplicates Z: 17 25.280 1.964 0.557 0.904 1.000 0.750 CA 1.472 17 residues pruned to eliminate duplicates Z: 10 15.405 1.887 0.934 0.666 1.000 0.778 CA 1.207 10 residues pruned to eliminate duplicates Z: 9 5.561 1.491 0.632 0.445 0.750 0.375 CB 1.141 Z: 7 5.312 1.558 0.844 0.480 0.667 0.333 CA 1.155 7 residues pruned to eliminate duplicates Z: 9 5.699 1.639 0.532 0.585 0.750 0.625 CB 0.986 Z: 7 3.252 1.344 0.637 0.368 0.833 0.500 CB 0.834 Z: 7 10.193 1.713 0.779 0.705 0.833 0.833 CA 1.360 7 residues pruned to eliminate duplicates Z: 6 2.980 1.606 0.249 0.334 0.600 0.600 C 1.327 7 residues pruned to eliminate duplicates Z: 14 14.013 2.077 0.748 0.447 0.846 0.615 CA 1.335 14 residues pruned to eliminate duplicates Z: 11 15.421 1.896 0.312 0.909 1.000 0.600 CB 1.391 12 residues pruned to eliminate duplicates Z: 13 11.803 1.949 0.546 0.538 0.917 0.583 CB 1.188 13 residues pruned to eliminate duplicates Z: 10 3.414 1.376 0.345 0.404 0.889 0.333 CB 0.765 Z: 6 6.688 1.733 0.207 0.697 1.000 1.000 CA 1.194 5 residues pruned to eliminate duplicates Z: 11 8.021 1.850 0.228 0.465 0.800 0.800 CB 1.445 11 residues pruned to eliminate duplicates Z: 10 9.437 1.846 0.422 0.886 0.778 0.667 CB 1.111 10 residues pruned to eliminate duplicates Z: 6 4.827 1.906 0.025 0.430 1.000 0.800 CA 1.187 6 residues pruned to eliminate duplicates Z: 16 10.640 1.852 0.523 0.454 0.933 0.667 CB 1.094 13 residues pruned to eliminate duplicates Z: 11 7.741 1.725 0.654 0.418 0.800 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 20 10.300 1.886 0.398 0.325 0.842 0.526 CA 1.290 20 residues pruned to eliminate duplicates Z: 19 31.121 2.112 0.924 0.884 0.944 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 13 25.361 2.129 0.702 0.931 1.000 0.917 CA 1.412 13 residues pruned to eliminate duplicates Z: 11 11.540 1.810 0.619 0.671 1.000 0.800 CA 1.064 11 residues pruned to eliminate duplicates Z: 12 18.187 1.853 0.669 0.941 1.000 0.727 CB 1.231 11 residues pruned to eliminate duplicates Z: 21 11.994 1.844 0.510 0.274 0.900 0.500 CB 1.382 24 residues pruned to eliminate duplicates Z: 27 12.305 1.998 0.332 0.324 0.808 0.500 CB 1.362 27 residues pruned to eliminate duplicates Z: 19 22.577 2.027 0.627 0.914 0.944 0.833 CA 1.208 19 residues pruned to eliminate duplicates Z: 13 8.906 1.690 0.571 0.398 0.917 0.417 CB 1.177 13 residues pruned to eliminate duplicates Z: 26 14.790 1.906 0.545 0.355 0.840 0.480 CB 1.398 26 residues pruned to eliminate duplicates Z: 23 8.216 1.731 0.258 0.237 0.909 0.364 CB 1.200 23 residues pruned to eliminate duplicates Z: 26 17.008 2.092 0.546 0.443 0.880 0.520 CB 1.267 26 residues pruned to eliminate duplicates Z: 14 10.784 1.957 0.431 0.347 0.846 0.308 CA 1.489 14 residues pruned to eliminate duplicates Z: 22 23.537 1.823 0.741 0.896 0.952 0.524 CB 1.217 19 residues pruned to eliminate duplicates Z: 20 19.008 2.048 0.580 0.505 0.842 0.421 CB 1.591 20 residues pruned to eliminate duplicates Z: 9 4.788 1.584 0.226 0.473 0.750 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 12 10.661 1.882 0.395 0.466 0.909 0.636 CB 1.393 13 residues pruned to eliminate duplicates Z: 9 8.368 1.673 0.556 0.792 0.875 0.500 CA 1.005 9 residues pruned to eliminate duplicates Z: 6 3.336 1.427 0.194 0.482 0.800 0.600 CB 1.114 6 residues pruned to eliminate duplicates Z: 7 2.741 1.396 0.243 0.488 0.833 0.500 N 0.783 Z: 8 2.001 1.596 -0.020 0.300 0.857 0.571 CB 0.706 Z: 10 16.032 2.035 0.450 0.914 0.889 0.667 CB 1.442 10 residues pruned to eliminate duplicates Z: 15 10.557 1.730 0.765 0.464 0.786 0.571 CA 1.220 15 residues pruned to eliminate duplicates Z: 6 9.431 1.592 0.689 0.871 1.000 1.000 CA 1.144 6 residues pruned to eliminate duplicates Z: 39 10.069 1.855 0.434 0.275 0.658 0.342 CB 1.205 28 residues pruned to eliminate duplicates Z: 35 14.548 1.898 0.498 0.325 0.824 0.529 CB 1.292 35 residues pruned to eliminate duplicates Z: 9 8.389 2.062 0.581 0.373 0.875 0.500 CB 1.192 9 residues pruned to eliminate duplicates Z: 13 11.796 1.647 0.597 0.529 0.917 0.583 CB 1.373 9 residues pruned to eliminate duplicates 7 1.987 1.403 -0.113 0.310 0.833 0.667 N 0.966 ? Z: 15 8.621 1.695 0.441 0.337 0.857 0.571 CB 1.315 Z: 7 7.397 1.467 0.469 0.791 1.000 0.333 O 1.085 7 residues pruned to eliminate duplicates Z: 34 24.699 1.938 0.431 0.631 1.000 0.697 CB 1.372 23 residues pruned to eliminate duplicates Z: 10 2.538 1.549 0.510 0.249 0.444 0.222 CB 1.086 Z: 6 3.344 1.476 0.321 0.292 0.800 0.400 CB 1.211 Z: 6 2.572 1.404 0.649 0.486 0.600 0.600 N 0.840 Z: 6 2.827 1.604 -0.077 0.409 1.000 0.600 CB 0.939 Z: 23 17.331 2.079 0.394 0.601 0.955 0.636 CB 1.212 23 residues pruned to eliminate duplicates Z: 9 3.479 1.470 0.322 0.541 0.750 0.250 CB 0.811 Z: 41 35.622 2.177 0.561 0.634 0.950 0.650 CB 1.539 41 residues pruned to eliminate duplicates 6 1.739 1.709 0.360 0.138 0.600 0.600 CB 0.874 ? Z: 23 16.601 1.830 0.645 0.524 0.955 0.500 CA 1.203 23 residues pruned to eliminate duplicates Z: 12 5.764 1.686 0.592 0.337 0.727 0.545 CB 1.063 7 residues pruned to eliminate duplicates Z: 23 20.379 1.930 0.739 0.723 0.955 0.682 CB 1.109 23 residues pruned to eliminate duplicates Z: 17 12.222 1.896 0.639 0.394 0.875 0.562 CB 1.256 17 residues pruned to eliminate duplicates Z: 7 3.757 1.500 0.584 0.479 0.833 0.500 CB 0.792 7 residues pruned to eliminate duplicates Z: 8 5.939 1.310 0.737 0.408 1.000 0.571 O 1.086 Z: 8 6.083 1.828 0.167 0.724 1.000 0.857 CB 0.881 8 residues pruned to eliminate duplicates Z: 18 33.305 2.057 1.034 0.919 1.000 0.588 CA 1.361 18 residues pruned to eliminate duplicates Z: 9 6.352 1.832 0.419 0.345 0.875 0.375 CB 1.169 9 residues pruned to eliminate duplicates Z: 34 16.343 1.899 0.595 0.396 0.848 0.576 CB 1.236 34 residues pruned to eliminate duplicates Z: 41 30.859 1.968 0.582 0.677 0.950 0.750 CA 1.402 41 residues pruned to eliminate duplicates Z: 8 9.310 1.988 0.302 0.565 1.000 0.571 CA 1.278 8 residues pruned to eliminate duplicates Z: 35 30.921 2.172 0.602 0.647 0.912 0.735 CB 1.458 35 residues pruned to eliminate duplicates Z: 34 17.621 1.945 0.549 0.366 0.818 0.455 CB 1.438 34 residues pruned to eliminate duplicates Z: 9 3.138 1.325 0.409 0.291 0.750 0.375 N 1.002 Z: 69 44.985 2.129 0.767 0.575 0.941 0.588 CB 1.434 67 residues pruned to eliminate duplicates Z: 47 32.162 1.889 0.661 0.710 0.957 0.652 CB 1.305 21 residues pruned to eliminate duplicates Z: 10 5.800 1.577 0.786 0.333 0.889 0.556 CB 0.927 Z: 9 13.803 1.948 0.696 0.785 1.000 0.875 CB 1.150 9 residues pruned to eliminate duplicates Z: 20 14.179 2.013 0.493 0.336 0.895 0.474 CA 1.447 20 residues pruned to eliminate duplicates Z: 6 3.718 1.536 0.730 0.711 0.800 0.600 CA 0.646 6 residues pruned to eliminate duplicates Z: 7 3.784 1.204 0.464 0.735 0.833 0.500 N 0.851 Z: 18 27.962 2.055 0.982 0.928 1.000 0.647 CB 1.166 18 residues pruned to eliminate duplicates Z: 6 2.037 1.175 0.889 0.299 0.600 0.400 CA 0.856 Z: 29 21.397 1.939 0.564 0.506 0.964 0.643 CA 1.375 29 residues pruned to eliminate duplicates Z: 18 7.997 1.869 0.147 0.278 0.824 0.412 CB 1.411 18 residues pruned to eliminate duplicates Z: 8 3.237 1.570 0.368 0.766 0.857 0.571 CB 0.525 Z: 6 6.401 1.544 0.668 0.646 1.000 1.000 CB 0.970 Z: 6 2.492 1.474 0.419 0.311 0.600 0.400 CA 1.094 Z: 6 3.525 1.778 0.162 0.531 1.000 0.800 CB 0.740 5 residues pruned to eliminate duplicates Z: 13 9.474 1.907 0.538 0.479 0.750 0.667 CB 1.269 13 residues pruned to eliminate duplicates Z: 21 10.816 1.830 0.270 0.361 0.900 0.450 CB 1.343 21 residues pruned to eliminate duplicates Z: 18 14.730 1.938 0.586 0.502 0.882 0.706 CB 1.315 18 residues pruned to eliminate duplicates Z: 7 7.647 1.697 0.592 0.666 0.833 0.833 CB 1.189 Z: 32 15.760 1.980 0.500 0.395 0.774 0.484 CB 1.376 32 residues pruned to eliminate duplicates Z: 21 16.144 2.031 0.699 0.353 0.850 0.550 CA 1.442 21 residues pruned to eliminate duplicates Z: 8 13.504 2.053 0.529 0.715 1.000 0.714 CB 1.338 8 residues pruned to eliminate duplicates Z: 12 13.778 1.818 0.600 0.694 0.909 0.818 CA 1.315 12 residues pruned to eliminate duplicates Z: 20 15.998 1.829 0.454 0.807 0.842 0.474 CA 1.254 20 residues pruned to eliminate duplicates Z: 11 5.227 1.721 0.185 0.336 0.800 0.700 CB 1.212 11 residues pruned to eliminate duplicates Z: 39 16.285 1.897 0.475 0.363 0.842 0.526 CB 1.300 39 residues pruned to eliminate duplicates Z: 18 18.923 1.963 0.594 0.525 0.941 0.706 CA 1.521 12 residues pruned to eliminate duplicates Z: 7 6.199 1.675 0.738 0.687 0.667 0.333 CA 1.099 7 residues pruned to eliminate duplicates Z: 6 6.066 1.338 0.376 0.725 1.000 0.600 O 1.203 Z: 7 4.257 1.576 0.285 0.396 0.833 0.500 CB 1.149 6 residues pruned to eliminate duplicates Z: 11 7.580 1.730 0.518 0.439 0.900 0.700 CA 1.080 11 residues pruned to eliminate duplicates Z: 8 2.841 1.671 0.155 0.204 0.857 0.429 CA 0.922 8 residues pruned to eliminate duplicates 6 1.616 1.439 -0.255 0.440 0.800 0.600 CB 0.897 ? Z: 24 16.041 1.912 0.636 0.414 0.913 0.609 CB 1.281 24 residues pruned to eliminate duplicates Z: 6 2.892 1.464 0.162 0.459 0.800 0.600 CB 0.991 Z: 7 10.165 1.996 0.553 0.821 0.667 0.167 CB 1.520 7 residues pruned to eliminate duplicates Z: 6 4.380 1.775 0.279 0.498 0.800 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 7 3.806 1.286 0.881 0.554 0.667 0.333 CA 0.915 Z: 9 6.163 1.582 0.883 0.272 0.750 0.250 CA 1.263 Z: 17 19.520 1.944 0.510 0.890 0.875 0.625 CB 1.366 17 residues pruned to eliminate duplicates Z: 7 7.148 1.948 0.478 0.303 0.833 0.667 CA 1.514 10 residues pruned to eliminate duplicates Z: 14 4.937 1.607 0.483 0.217 0.692 0.308 CB 1.157 15 residues pruned to eliminate duplicates 6 1.571 1.447 -0.105 0.461 0.600 0.600 N 0.940 ? Z: 15 6.934 1.768 0.450 0.333 0.786 0.429 CB 1.104 15 residues pruned to eliminate duplicates Z: 10 7.817 1.832 0.582 0.548 0.889 0.556 CB 0.964 11 residues pruned to eliminate duplicates Z: 6 4.233 1.540 0.728 0.470 0.800 0.800 CB 0.918 Z: 14 5.231 1.647 0.306 0.390 0.692 0.385 CB 1.095 14 residues pruned to eliminate duplicates Z: 11 9.263 1.608 0.354 0.798 1.000 0.800 CA 1.037 11 residues pruned to eliminate duplicates Z: 9 4.471 1.450 0.668 0.569 0.750 0.625 CB 0.815 6 residues pruned to eliminate duplicates Z: 7 3.821 1.597 0.768 0.239 0.667 0.333 CB 1.121 7 residues pruned to eliminate duplicates Z: 8 8.711 1.784 0.350 0.580 0.857 0.714 CA 1.476 8 residues pruned to eliminate duplicates Z: 10 9.728 1.814 0.784 0.513 1.000 0.778 CB 0.989 10 residues pruned to eliminate duplicates Z: 6 3.473 1.779 0.279 0.454 0.600 0.600 CB 1.192 12 residues pruned to eliminate duplicates Z: 17 21.309 2.094 0.401 0.920 0.938 0.812 CB 1.364 17 residues pruned to eliminate duplicates Z: 28 22.453 1.968 0.476 0.542 0.926 0.630 CB 1.542 28 residues pruned to eliminate duplicates Z: 9 14.629 1.844 0.479 0.885 1.000 0.375 CB 1.369 9 residues pruned to eliminate duplicates Z: 14 8.603 1.819 0.620 0.516 0.769 0.538 CB 1.036 14 residues pruned to eliminate duplicates 7 1.800 1.420 0.250 0.229 0.833 0.667 CB 0.682 ? Z: 8 10.346 1.753 0.511 0.598 1.000 0.714 CB 1.345 Z: 14 12.535 1.851 0.712 0.480 0.846 0.538 CB 1.323 15 residues pruned to eliminate duplicates Z: 6 4.739 1.517 0.458 0.461 1.000 0.600 C 0.997 Z: 13 10.528 1.791 0.460 0.552 0.917 0.583 CB 1.205 12 residues pruned to eliminate duplicates Z: 7 3.872 1.476 0.197 0.737 0.833 0.667 CB 0.868 Z: 21 8.274 1.736 0.470 0.334 0.750 0.450 CB 1.159 21 residues pruned to eliminate duplicates Z: 13 4.520 1.481 0.531 0.299 0.833 0.417 CA 0.865 Z: 7 3.955 1.585 0.716 0.508 1.000 0.833 CB 0.588 7 residues pruned to eliminate duplicates Z: 8 8.652 1.738 1.048 0.538 0.857 0.714 CA 1.032 8 residues pruned to eliminate duplicates Z: 7 6.825 1.569 1.237 0.579 0.833 0.500 CB 0.883 13 residues pruned to eliminate duplicates Z: 11 11.752 2.207 0.774 0.256 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 6 3.845 1.826 -0.264 0.640 0.800 0.800 CA 1.405 6 residues pruned to eliminate duplicates Z: 7 5.028 1.572 0.491 0.801 1.000 0.667 N 0.673 Z: 10 5.017 1.598 0.184 0.440 0.889 0.556 CA 1.058 10 residues pruned to eliminate duplicates Z: 8 5.548 1.451 0.559 0.685 1.000 0.857 CB 0.782 Z: 6 3.610 1.563 0.700 0.411 0.800 0.400 CB 0.834 6 residues pruned to eliminate duplicates Z: 6 5.319 1.477 0.281 0.655 1.000 0.600 N 1.088 6 1.752 1.276 0.380 0.340 0.800 0.600 N 0.663 ? 6 1.722 1.225 0.353 0.291 0.600 0.400 N 0.979 ? Z: 20 20.254 1.824 0.647 0.863 0.947 0.474 CB 1.198 20 residues pruned to eliminate duplicates Z: 7 4.721 1.584 0.516 0.649 0.833 0.833 CB 0.838 Z: 13 8.064 1.741 0.416 0.467 0.833 0.583 CA 1.172 13 residues pruned to eliminate duplicates Z: 6 2.859 1.479 0.123 0.425 1.000 0.400 CB 0.832 6 residues pruned to eliminate duplicates Z: 23 7.917 1.806 0.398 0.271 0.682 0.500 CB 1.272 23 residues pruned to eliminate duplicates Z: 55 38.944 2.147 0.686 0.601 0.926 0.685 CB 1.436 55 residues pruned to eliminate duplicates Z: 13 13.407 1.865 0.844 0.490 0.833 0.667 CB 1.364 13 residues pruned to eliminate duplicates Z: 26 12.781 1.972 0.316 0.340 0.840 0.600 CB 1.395 26 residues pruned to eliminate duplicates Z: 33 19.099 1.969 0.563 0.502 0.812 0.281 CB 1.347 33 residues pruned to eliminate duplicates Z: 6 5.789 1.777 0.606 0.684 0.800 0.600 CA 0.958 6 residues pruned to eliminate duplicates Z: 6 2.461 1.368 0.452 0.450 0.600 0.600 CA 0.972 6 residues pruned to eliminate duplicates Z: 9 2.413 1.476 0.424 0.187 0.625 0.250 C 0.944 Z: 7 2.784 1.317 0.196 0.247 1.000 0.500 C 0.966 7 residues pruned to eliminate duplicates Z: 11 9.619 1.723 0.842 0.646 0.900 0.800 CA 0.929 11 residues pruned to eliminate duplicates Z: 8 13.033 1.858 0.629 0.682 1.000 0.857 CB 1.378 17 residues pruned to eliminate duplicates Z: 8 9.924 1.761 0.647 0.673 1.000 0.714 CA 1.102 8 residues pruned to eliminate duplicates Z: 11 3.816 1.585 0.512 0.341 0.900 0.500 CA 0.666 11 residues pruned to eliminate duplicates Z: 9 5.651 1.534 0.603 0.606 0.875 0.625 CB 0.839 Z: 6 4.357 1.585 0.462 0.814 1.000 0.800 CB 0.640 6 residues pruned to eliminate duplicates Z: 24 10.637 1.843 0.222 0.351 0.957 0.522 CB 1.210 24 residues pruned to eliminate duplicates Z: 21 19.482 1.955 0.438 0.631 1.000 0.900 CB 1.370 21 residues pruned to eliminate duplicates Z: 36 31.379 2.107 0.642 0.694 0.943 0.514 CB 1.361 35 residues pruned to eliminate duplicates Z: 6 4.323 1.367 0.289 0.797 1.000 0.800 CB 0.846 8 1.131 1.381 0.030 0.381 0.714 0.286 CB 0.477 ? Z: 64 36.866 2.045 0.624 0.584 0.937 0.603 CA 1.378 64 residues pruned to eliminate duplicates Z: 13 13.233 1.984 0.663 0.540 0.917 0.833 CB 1.215 13 residues pruned to eliminate duplicates Z: 7 5.053 1.793 0.702 0.542 0.667 0.500 CB 0.972 Z: 15 7.935 1.787 0.241 0.318 0.929 0.500 CB 1.260 15 residues pruned to eliminate duplicates Z: 6 5.418 1.393 0.292 0.828 1.000 0.800 CA 1.014 6 residues pruned to eliminate duplicates Z: 9 2.710 1.663 0.149 0.343 0.500 0.375 C 1.190 8 residues pruned to eliminate duplicates Z: 10 6.413 1.661 0.526 0.487 0.889 0.778 CB 0.961 10 residues pruned to eliminate duplicates Z: 14 11.814 1.901 0.787 0.469 0.846 0.615 CB 1.176 14 residues pruned to eliminate duplicates Z: 8 7.141 1.386 0.604 0.778 1.000 0.714 CA 0.950 Z: 16 7.276 1.907 0.672 0.236 0.733 0.400 CB 1.091 Z: 30 11.691 1.887 0.522 0.298 0.793 0.517 CB 1.194 30 residues pruned to eliminate duplicates 6 1.770 1.491 0.181 0.168 0.600 0.200 C 1.122 ? Z: 7 3.442 1.257 0.711 0.246 1.000 0.667 CB 0.876 Z: 9 5.133 1.430 0.945 0.615 0.875 0.750 CB 0.669 Z: 12 11.689 1.700 0.495 0.813 0.909 0.455 CB 1.162 12 residues pruned to eliminate duplicates Z: 7 3.146 1.184 1.198 0.363 0.833 0.333 CB 0.686 Z: 6 3.049 1.367 0.213 0.616 1.000 0.600 CB 0.737 Z: 7 4.864 1.675 0.359 0.473 0.833 0.667 CB 1.075 7 residues pruned to eliminate duplicates Z: 16 9.026 1.758 0.504 0.467 0.867 0.600 CA 1.052 13 residues pruned to eliminate duplicates 6 1.490 1.101 0.355 0.342 0.600 0.400 N 0.884 ? Z: 6 3.974 1.735 0.179 0.382 1.000 0.400 CB 0.985 Z: 8 8.583 1.988 0.313 0.570 1.000 0.571 CA 1.161 8 residues pruned to eliminate duplicates Z: 10 12.790 2.010 0.721 0.577 0.889 0.667 CA 1.288 10 residues pruned to eliminate duplicates Z: 7 2.262 1.577 0.004 0.434 0.833 0.333 CB 0.750 Z: 6 2.380 1.488 0.435 0.406 0.600 0.400 N 0.917 Z: 29 24.983 2.062 0.644 0.546 0.929 0.643 CA 1.434 29 residues pruned to eliminate duplicates Z: 18 17.199 1.952 0.431 0.715 0.941 0.824 CB 1.306 18 residues pruned to eliminate duplicates Z: 8 4.845 1.747 -0.037 0.555 1.000 0.571 CB 1.032 8 residues pruned to eliminate duplicates Z: 20 10.386 1.817 0.385 0.366 0.947 0.632 CA 1.155 20 residues pruned to eliminate duplicates Z: 7 4.064 1.634 0.540 0.384 1.000 0.500 CA 0.746 7 residues pruned to eliminate duplicates Z: 10 10.089 1.655 0.907 0.474 0.889 0.556 CA 1.231 10 residues pruned to eliminate duplicates Z: 11 11.130 1.719 0.439 0.848 1.000 0.800 CB 1.055 10 residues pruned to eliminate duplicates Z: 32 28.693 2.032 0.727 0.722 0.935 0.774 CA 1.285 32 residues pruned to eliminate duplicates Z: 10 2.537 1.690 0.688 0.165 0.333 0.222 CB 1.337 Z: 6 3.424 1.631 0.561 0.224 0.800 0.200 CB 1.038 Z: 9 2.079 1.423 0.328 0.320 0.750 0.375 CB 0.632 Z: 8 5.338 1.518 0.403 0.568 1.000 0.714 CA 0.886 7 residues pruned to eliminate duplicates Z: 10 9.296 2.011 0.616 0.453 0.778 0.667 CA 1.287 11 residues pruned to eliminate duplicates Z: 19 14.722 1.931 0.874 0.356 0.833 0.722 CB 1.344 19 residues pruned to eliminate duplicates Z: 7 2.605 1.408 0.722 0.467 0.500 0.333 CB 0.907 Z: 11 3.071 1.429 0.469 0.293 0.600 0.300 CB 0.972 Z: 11 10.524 1.776 0.226 0.692 1.000 0.900 CB 1.282 11 residues pruned to eliminate duplicates Z: 23 22.275 1.742 0.644 0.901 1.000 0.773 CB 1.183 23 residues pruned to eliminate duplicates Z: 7 4.920 1.520 0.703 0.366 0.833 0.667 CA 1.075 Z: 6 3.049 1.204 0.723 0.642 0.800 0.800 N 0.719 Z: 6 2.683 1.361 0.084 0.521 0.800 0.400 C 0.995 Z: 8 11.856 1.851 0.603 0.712 1.000 0.857 CA 1.246 8 residues pruned to eliminate duplicates Z: 6 3.213 1.163 0.429 0.579 0.800 0.800 CB 1.001 Z: 8 2.244 1.289 0.171 0.368 0.857 0.714 CA 0.756 Z: 17 11.814 1.968 0.332 0.399 0.875 0.562 CB 1.433 17 residues pruned to eliminate duplicates Z: 16 8.642 1.793 0.552 0.412 0.867 0.533 CB 1.014 14 residues pruned to eliminate duplicates Z: 11 11.846 1.955 0.166 0.815 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 43 28.829 2.024 0.629 0.523 0.881 0.429 CB 1.497 43 residues pruned to eliminate duplicates Z: 7 2.695 1.362 0.263 0.354 0.667 0.500 CB 1.123 6 1.547 1.162 0.100 0.442 0.800 0.600 CB 0.718 ? Z: 18 7.537 1.731 0.381 0.384 0.706 0.588 CB 1.226 18 residues pruned to eliminate duplicates Z: 10 8.976 1.751 0.497 0.518 0.778 0.556 C 1.442 10 residues pruned to eliminate duplicates Z: 17 10.017 1.807 0.497 0.345 0.812 0.438 CA 1.350 17 residues pruned to eliminate duplicates Z: 9 9.207 1.826 0.386 0.549 0.875 0.625 CA 1.402 9 residues pruned to eliminate duplicates Z: 12 7.026 1.794 0.165 0.387 0.818 0.273 CA 1.396 12 residues pruned to eliminate duplicates Z: 18 22.053 1.899 0.666 0.924 0.882 0.529 CB 1.345 18 residues pruned to eliminate duplicates Z: 27 22.925 1.945 0.351 0.703 0.962 0.808 CA 1.479 27 residues pruned to eliminate duplicates Z: 6 3.305 1.336 0.071 0.694 1.000 0.600 CA 0.865 Z: 14 8.442 1.979 0.217 0.326 0.846 0.615 CB 1.390 14 residues pruned to eliminate duplicates Z: 15 12.972 1.895 0.752 0.561 0.786 0.286 CB 1.253 28 residues pruned to eliminate duplicates Z: 6 3.680 1.886 0.260 0.164 0.800 0.600 CB 1.303 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 11.980 1.882 0.317 0.690 1.000 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 10.409 1.744 0.353 0.549 1.000 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 12 9.675 1.847 0.492 0.603 0.818 0.455 CB 1.172 12 residues pruned to eliminate duplicates Z: 11 13.178 1.866 0.502 0.735 0.900 0.600 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 11.868 1.742 0.413 0.605 1.000 0.500 CB 1.260 11 residues pruned to eliminate duplicates Z: 12 13.147 1.895 0.575 0.602 0.909 0.636 CB 1.326 13 residues pruned to eliminate duplicates Z: 13 12.478 1.792 0.530 0.619 0.917 0.583 CB 1.281 13 residues pruned to eliminate duplicates Z: 11 13.896 1.860 0.459 0.746 1.000 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 12 13.928 1.894 0.406 0.681 1.000 0.818 CB 1.335 12 residues pruned to eliminate duplicates Z: 13 10.984 1.794 0.439 0.636 0.833 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 18 15.402 1.717 0.601 0.656 0.882 0.471 CB 1.332 Z: 12 15.871 1.857 0.480 0.911 1.000 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 10 14.284 1.867 0.578 0.803 1.000 0.667 CB 1.240 11 residues pruned to eliminate duplicates Z: 10 19.601 1.935 0.633 0.902 1.000 0.444 CB 1.474 10 residues pruned to eliminate duplicates Z: 9 18.673 2.047 0.610 0.899 1.000 0.625 CB 1.432 9 residues pruned to eliminate duplicates 6 1.907 1.024 0.546 0.470 0.800 0.800 N 0.694 ? Z: 6 4.939 1.362 1.219 0.482 0.800 0.600 CA 0.930 6 residues pruned to eliminate duplicates Z: 10 8.866 1.797 0.491 0.471 0.889 0.667 CB 1.278 10 residues pruned to eliminate duplicates Z: 7 7.240 1.588 0.842 0.430 1.000 0.833 CB 1.087 7 residues pruned to eliminate duplicates Z: 13 9.428 1.937 0.535 0.337 0.833 0.583 CA 1.312 13 residues pruned to eliminate duplicates Z: 13 10.712 1.994 0.394 0.393 0.917 0.583 CB 1.360 13 residues pruned to eliminate duplicates Z: 17 6.674 1.796 0.389 0.281 0.750 0.500 CB 1.142 17 residues pruned to eliminate duplicates Z: 16 8.217 1.869 0.442 0.358 0.733 0.467 CB 1.252 16 residues pruned to eliminate duplicates Z: 15 6.004 1.810 0.524 0.271 0.714 0.429 CB 1.056 15 residues pruned to eliminate duplicates Z: 14 9.955 1.919 0.703 0.369 0.846 0.462 CB 1.150 14 residues pruned to eliminate duplicates Z: 14 10.074 1.948 0.436 0.403 0.846 0.538 CB 1.308 14 residues pruned to eliminate duplicates Z: 17 10.018 1.714 0.410 0.443 0.875 0.438 CA 1.256 17 residues pruned to eliminate duplicates Z: 8 3.515 1.519 0.666 0.229 0.714 0.429 CA 1.007 7 residues pruned to eliminate duplicates Z: 6 2.450 1.159 0.919 0.455 1.000 0.600 CA 0.516 6 residues pruned to eliminate duplicates Z: 12 19.113 2.083 0.812 0.569 1.000 0.818 CB 1.428 15 residues pruned to eliminate duplicates Z: 6 3.344 1.604 0.201 0.376 1.000 0.600 CA 0.886 6 residues pruned to eliminate duplicates Z: 17 15.771 1.976 0.620 0.524 0.875 0.688 CB 1.375 17 residues pruned to eliminate duplicates Z: 7 4.359 1.484 0.758 0.391 1.000 0.667 CA 0.766 7 residues pruned to eliminate duplicates Z: 13 19.662 2.102 0.835 0.587 0.917 0.750 CB 1.477 13 residues pruned to eliminate duplicates Z: 6 2.980 1.584 0.700 0.294 0.600 0.400 C 1.039 5 residues pruned to eliminate duplicates Z: 6 3.084 1.417 0.359 0.288 1.000 0.800 CA 0.910 6 residues pruned to eliminate duplicates Z: 14 9.792 2.025 0.566 0.354 0.769 0.615 CA 1.303 14 residues pruned to eliminate duplicates Z: 11 6.487 1.861 0.515 0.267 0.900 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 14 10.628 2.044 0.579 0.356 0.769 0.538 CA 1.386 13 residues pruned to eliminate duplicates Z: 6 2.373 1.342 0.352 0.347 0.800 0.600 CA 0.863 6 residues pruned to eliminate duplicates Z: 6 3.514 1.548 0.854 0.299 0.800 0.600 CA 0.857 6 residues pruned to eliminate duplicates Z: 15 9.813 1.868 0.658 0.371 0.786 0.214 CB 1.238 14 residues pruned to eliminate duplicates Z: 12 9.369 1.885 0.629 0.364 0.818 0.364 CA 1.301 12 residues pruned to eliminate duplicates Z: 20 7.649 1.793 0.426 0.321 0.684 0.263 CB 1.222 20 residues pruned to eliminate duplicates Z: 13 9.776 1.814 0.775 0.299 0.833 0.333 CA 1.317 14 residues pruned to eliminate duplicates Z: 6 3.626 1.633 0.228 0.256 1.000 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 31 8.467 1.724 0.549 0.281 0.767 0.467 CB 0.967 34 residues pruned to eliminate duplicates Z: 6 8.644 1.593 1.095 0.390 1.000 0.400 O 1.301 6 residues pruned to eliminate duplicates Z: 9 6.419 1.666 0.804 0.353 0.750 0.500 CA 1.180 9 residues pruned to eliminate duplicates Z: 10 4.674 1.727 0.558 0.359 0.556 0.333 CA 1.214 10 residues pruned to eliminate duplicates Z: 14 9.758 1.950 0.793 0.383 0.692 0.462 CB 1.266 14 residues pruned to eliminate duplicates Z: 7 6.187 1.499 0.741 0.316 1.000 0.500 N 1.186 7 residues pruned to eliminate duplicates Z: 39 11.515 1.856 0.558 0.286 0.711 0.368 CB 1.156 39 residues pruned to eliminate duplicates Z: 8 9.833 1.937 0.482 0.381 1.000 0.714 CA 1.469 8 residues pruned to eliminate duplicates Z: 22 8.276 1.835 0.544 0.245 0.714 0.238 CB 1.199 22 residues pruned to eliminate duplicates Z: 25 12.359 1.914 0.550 0.343 0.792 0.458 CB 1.275 26 residues pruned to eliminate duplicates Z: 7 7.152 1.878 0.510 0.369 0.833 0.500 CB 1.423 7 residues pruned to eliminate duplicates Z: 32 17.388 1.866 0.519 0.454 0.903 0.581 CB 1.279 35 residues pruned to eliminate duplicates Z: 7 9.004 1.641 0.724 0.694 0.833 0.667 N 1.306 7 residues pruned to eliminate duplicates Z: 14 16.938 1.952 0.593 0.493 1.000 0.692 N 1.521 14 residues pruned to eliminate duplicates Z: 7 6.579 1.759 0.440 0.383 0.833 0.333 CA 1.442 7 residues pruned to eliminate duplicates Z: 19 14.098 1.919 0.432 0.466 0.944 0.556 CB 1.325 19 residues pruned to eliminate duplicates Z: 13 16.880 1.996 0.601 0.485 1.000 0.583 N 1.548 13 residues pruned to eliminate duplicates Z: 6 4.579 1.519 0.767 0.431 0.800 0.200 CA 1.025 Z: 6 3.799 1.587 1.072 0.193 1.000 0.400 CA 0.745 7 residues pruned to eliminate duplicates Z: 13 16.234 1.936 0.299 0.856 0.917 0.667 CA 1.498 13 residues pruned to eliminate duplicates Z: 28 24.910 1.965 0.526 0.551 0.963 0.704 CA 1.579 28 residues pruned to eliminate duplicates Z: 44 27.402 2.008 0.430 0.570 0.907 0.581 CA 1.500 44 residues pruned to eliminate duplicates Z: 29 15.228 1.923 0.420 0.464 0.786 0.643 CB 1.392 29 residues pruned to eliminate duplicates Z: 33 19.394 1.937 0.409 0.505 0.875 0.719 CA 1.429 33 residues pruned to eliminate duplicates Z: 11 3.133 1.422 0.399 0.148 0.800 0.500 CB 0.961 11 residues pruned to eliminate duplicates Z: 20 16.698 1.968 0.373 0.616 0.947 0.474 CA 1.341 20 residues pruned to eliminate duplicates Z: 37 26.967 2.013 0.622 0.458 0.944 0.583 CB 1.522 37 residues pruned to eliminate duplicates Z: 34 29.037 2.011 0.744 0.539 0.970 0.667 CA 1.431 34 residues pruned to eliminate duplicates Z: 37 24.361 2.017 0.595 0.469 0.889 0.472 CA 1.464 37 residues pruned to eliminate duplicates Z: 41 21.931 1.943 0.507 0.434 0.875 0.550 CA 1.449 41 residues pruned to eliminate duplicates Z: 38 27.036 2.018 0.633 0.481 0.946 0.568 CA 1.453 38 residues pruned to eliminate duplicates Z: 38 25.128 1.989 0.548 0.466 0.946 0.514 CA 1.468 38 residues pruned to eliminate duplicates Z: 64 42.692 1.983 0.721 0.611 0.968 0.556 CB 1.464 64 residues pruned to eliminate duplicates Z: 39 24.947 1.997 0.655 0.451 0.895 0.553 CA 1.439 39 residues pruned to eliminate duplicates Z: 37 28.665 2.025 0.714 0.477 0.972 0.639 CA 1.449 37 residues pruned to eliminate duplicates Z: 37 28.931 2.027 0.749 0.492 0.944 0.556 CA 1.452 37 residues pruned to eliminate duplicates Z: 36 28.513 2.026 0.777 0.506 0.914 0.543 CA 1.456 36 residues pruned to eliminate duplicates Z: 61 42.628 2.031 0.784 0.588 0.933 0.633 CB 1.496 61 residues pruned to eliminate duplicates Z: 25 19.409 2.103 0.861 0.328 0.917 0.500 CA 1.333 25 residues pruned to eliminate duplicates Z: 61 37.315 1.978 0.758 0.560 0.950 0.517 CB 1.376 61 residues pruned to eliminate duplicates Z: 39 29.870 1.991 0.823 0.483 0.947 0.526 CA 1.433 39 residues pruned to eliminate duplicates Z: 37 28.349 2.016 0.726 0.496 0.944 0.556 CA 1.443 37 residues pruned to eliminate duplicates Z: 38 26.264 2.007 0.730 0.450 0.892 0.514 CA 1.467 38 residues pruned to eliminate duplicates Z: 21 15.266 2.071 0.720 0.312 0.900 0.500 CA 1.312 21 residues pruned to eliminate duplicates Z: 21 15.436 2.063 0.604 0.349 0.850 0.600 CA 1.446 21 residues pruned to eliminate duplicates Z: 22 16.365 2.079 0.636 0.326 0.857 0.476 CB 1.483 22 residues pruned to eliminate duplicates Z: 21 17.250 2.035 0.764 0.337 0.950 0.550 CA 1.352 21 residues pruned to eliminate duplicates Z: 44 27.521 1.947 0.642 0.518 0.907 0.628 CA 1.422 44 residues pruned to eliminate duplicates Z: 39 27.244 1.939 0.814 0.440 0.895 0.553 CA 1.494 39 residues pruned to eliminate duplicates Z: 38 28.717 1.968 0.774 0.457 0.973 0.541 CA 1.453 38 residues pruned to eliminate duplicates Z: 21 15.857 2.113 0.649 0.343 0.850 0.600 CA 1.420 21 residues pruned to eliminate duplicates Z: 57 27.078 1.907 0.716 0.427 0.839 0.554 CB 1.422 57 residues pruned to eliminate duplicates Z: 21 13.875 2.051 0.728 0.278 0.850 0.500 CA 1.323 21 residues pruned to eliminate duplicates Z: 40 24.504 1.967 0.753 0.454 0.846 0.564 CA 1.409 40 residues pruned to eliminate duplicates Z: 40 29.794 2.017 0.579 0.592 0.949 0.615 CB 1.446 40 residues pruned to eliminate duplicates Z: 38 21.408 1.931 0.684 0.443 0.865 0.595 CA 1.327 38 residues pruned to eliminate duplicates Z: 60 39.983 2.013 0.689 0.589 0.932 0.678 CB 1.508 60 residues pruned to eliminate duplicates Z: 46 33.999 2.050 0.649 0.573 0.956 0.667 CA 1.462 28 residues pruned to eliminate duplicates 6 1.378 1.060 1.242 0.409 0.800 0.400 C 0.357 ? Z: 6 3.074 1.567 0.940 0.446 0.800 0.600 CB 0.598 Z: 25 28.321 2.047 0.552 0.754 0.958 0.833 CB 1.515 25 residues pruned to eliminate duplicates Z: 30 25.997 1.954 0.552 0.680 0.931 0.759 CA 1.449 30 residues pruned to eliminate duplicates Z: 26 29.950 2.040 0.641 0.727 1.000 0.840 CB 1.458 26 residues pruned to eliminate duplicates Z: 29 25.536 1.958 0.621 0.660 0.929 0.750 CA 1.411 29 residues pruned to eliminate duplicates Z: 26 25.881 2.049 0.660 0.722 0.960 0.640 CB 1.297 26 residues pruned to eliminate duplicates Z: 24 30.743 2.068 0.724 0.770 1.000 0.783 CB 1.416 24 residues pruned to eliminate duplicates Z: 21 20.160 1.957 0.675 0.724 0.900 0.600 CB 1.248 21 residues pruned to eliminate duplicates Z: 35 25.248 1.881 0.691 0.677 0.971 0.647 CB 1.191 35 residues pruned to eliminate duplicates Z: 26 28.866 2.008 0.741 0.712 0.960 0.680 CB 1.419 26 residues pruned to eliminate duplicates Z: 26 22.725 2.046 0.626 0.714 0.880 0.760 CB 1.279 26 residues pruned to eliminate duplicates Z: 28 29.591 2.032 0.672 0.694 0.963 0.741 CB 1.458 28 residues pruned to eliminate duplicates Z: 32 28.393 1.891 0.924 0.590 0.903 0.645 CA 1.423 32 residues pruned to eliminate duplicates Z: 11 9.074 1.885 0.728 0.398 0.900 0.500 CB 1.090 18 residues pruned to eliminate duplicates Z: 7 10.039 1.830 0.954 0.570 0.833 0.500 CA 1.285 7 residues pruned to eliminate duplicates Z: 10 9.596 1.882 0.759 0.391 0.889 0.444 CA 1.221 11 residues pruned to eliminate duplicates Z: 9 8.847 1.625 1.125 0.569 1.000 0.625 CB 0.848 9 residues pruned to eliminate duplicates Z: 8 10.116 1.868 1.118 0.461 0.857 0.429 CA 1.173 8 residues pruned to eliminate duplicates Z: 31 31.230 2.063 0.798 0.539 0.967 0.800 CA 1.530 31 residues pruned to eliminate duplicates Z: 35 29.184 2.008 0.658 0.650 0.912 0.765 CA 1.433 35 residues pruned to eliminate duplicates Z: 33 26.161 2.013 0.526 0.656 0.969 0.719 CA 1.344 33 residues pruned to eliminate duplicates Z: 27 27.004 2.045 0.663 0.661 0.923 0.731 CA 1.454 27 residues pruned to eliminate duplicates Z: 50 34.838 1.990 0.714 0.654 0.898 0.633 CA 1.408 50 residues pruned to eliminate duplicates Z: 44 38.710 2.006 0.783 0.689 0.953 0.674 CA 1.456 44 residues pruned to eliminate duplicates Z: 35 30.925 2.041 0.790 0.653 0.941 0.765 CA 1.337 35 residues pruned to eliminate duplicates Z: 24 32.439 2.123 0.839 0.748 0.957 0.826 CA 1.452 24 residues pruned to eliminate duplicates Z: 65 37.340 2.058 0.578 0.538 0.953 0.562 CA 1.452 65 residues pruned to eliminate duplicates Z: 32 27.769 1.987 0.707 0.592 0.935 0.613 CA 1.439 32 residues pruned to eliminate duplicates Z: 35 32.045 2.008 0.788 0.627 0.912 0.559 CA 1.489 35 residues pruned to eliminate duplicates Z: 35 34.180 2.025 0.780 0.618 0.971 0.588 CB 1.498 35 residues pruned to eliminate duplicates Z: 42 33.436 2.004 0.621 0.678 0.927 0.585 CA 1.473 42 residues pruned to eliminate duplicates Z: 34 31.495 2.051 0.684 0.648 0.939 0.606 CA 1.472 34 residues pruned to eliminate duplicates Z: 36 29.946 2.007 0.600 0.720 0.914 0.571 CA 1.413 36 residues pruned to eliminate duplicates Z: 46 35.897 2.002 0.779 0.693 0.911 0.667 CA 1.382 46 residues pruned to eliminate duplicates Z: 33 33.068 2.080 0.756 0.677 0.969 0.594 CA 1.404 33 residues pruned to eliminate duplicates Z: 47 43.195 2.030 0.799 0.680 0.957 0.609 CB 1.546 57 residues pruned to eliminate duplicates Z: 18 31.437 2.106 0.800 0.950 1.000 0.824 CA 1.388 18 residues pruned to eliminate duplicates Z: 38 31.189 1.973 0.809 0.582 0.892 0.676 CA 1.489 38 residues pruned to eliminate duplicates Z: 30 35.738 2.039 0.937 0.724 0.931 0.655 CA 1.474 31 residues pruned to eliminate duplicates Z: 18 31.508 2.109 0.883 0.941 1.000 0.941 CA 1.336 18 residues pruned to eliminate duplicates Z: 42 37.711 2.070 0.750 0.711 0.927 0.732 CA 1.448 42 residues pruned to eliminate duplicates Z: 34 32.759 2.054 0.683 0.661 0.970 0.636 CA 1.465 34 residues pruned to eliminate duplicates Z: 25 12.216 1.750 0.526 0.335 0.875 0.583 CB 1.278 25 residues pruned to eliminate duplicates Z: 48 33.995 2.041 0.742 0.548 0.894 0.532 CA 1.488 35 residues pruned to eliminate duplicates Z: 22 27.005 2.022 0.732 0.810 0.952 0.619 CA 1.349 22 residues pruned to eliminate duplicates Z: 40 29.125 1.946 0.761 0.582 0.897 0.590 CA 1.402 40 residues pruned to eliminate duplicates Z: 43 34.686 2.013 0.707 0.671 0.952 0.738 CA 1.397 43 residues pruned to eliminate duplicates Z: 33 35.429 2.066 0.761 0.777 0.938 0.562 CA 1.438 33 residues pruned to eliminate duplicates Z: 33 30.224 2.079 0.704 0.685 0.938 0.750 CA 1.358 33 residues pruned to eliminate duplicates Z: 47 40.851 2.046 0.854 0.692 0.891 0.543 CA 1.495 47 residues pruned to eliminate duplicates Z: 19 27.494 2.047 0.931 0.682 0.944 0.444 CA 1.469 19 residues pruned to eliminate duplicates Z: 42 39.638 2.059 0.790 0.701 0.951 0.683 CA 1.471 42 residues pruned to eliminate duplicates Z: 41 34.505 2.051 0.794 0.617 0.900 0.500 CA 1.474 41 residues pruned to eliminate duplicates Z: 35 31.777 2.042 0.642 0.744 0.941 0.588 CA 1.388 35 residues pruned to eliminate duplicates Z: 41 36.909 2.065 0.629 0.714 0.975 0.600 CA 1.466 41 residues pruned to eliminate duplicates Z: 42 36.544 2.029 0.775 0.690 0.951 0.561 CA 1.399 42 residues pruned to eliminate duplicates Z: 59 38.420 2.071 0.647 0.584 0.931 0.517 CA 1.465 59 residues pruned to eliminate duplicates Z: 72 42.970 2.081 0.729 0.600 0.915 0.563 CA 1.407 80 residues pruned to eliminate duplicates Z: 13 18.652 1.895 0.630 0.726 0.917 0.583 CB 1.551 13 residues pruned to eliminate duplicates Z: 76 33.163 1.974 0.627 0.470 0.853 0.520 CA 1.440 76 residues pruned to eliminate duplicates Z: 31 25.008 2.065 0.736 0.474 0.900 0.433 CA 1.454 31 residues pruned to eliminate duplicates Z: 68 37.059 2.031 0.707 0.550 0.851 0.433 CA 1.462 68 residues pruned to eliminate duplicates Z: 25 17.658 2.076 0.645 0.357 0.875 0.500 CA 1.406 25 residues pruned to eliminate duplicates Z: 24 14.339 2.057 0.537 0.291 0.826 0.348 CA 1.447 24 residues pruned to eliminate duplicates Z: 32 20.518 2.067 0.580 0.381 0.903 0.484 CA 1.417 32 residues pruned to eliminate duplicates Z: 62 36.508 2.074 0.648 0.559 0.869 0.492 CA 1.486 62 residues pruned to eliminate duplicates Z: 66 42.606 2.088 0.772 0.575 0.862 0.569 CA 1.542 66 residues pruned to eliminate duplicates Z: 31 15.565 1.937 0.563 0.276 0.900 0.500 CA 1.345 31 residues pruned to eliminate duplicates Z: 19 15.630 2.060 0.342 0.401 1.000 0.444 CA 1.479 19 residues pruned to eliminate duplicates Z: 18 17.927 2.143 0.513 0.372 0.941 0.529 CA 1.635 18 residues pruned to eliminate duplicates Z: 17 15.507 2.124 0.449 0.371 0.875 0.500 CA 1.653 18 residues pruned to eliminate duplicates Z: 6 3.678 1.596 0.524 0.312 0.800 0.400 N 1.040 6 residues pruned to eliminate duplicates Z: 74 37.970 1.988 0.741 0.464 0.890 0.452 CA 1.496 74 residues pruned to eliminate duplicates Z: 14 13.736 2.111 0.550 0.348 0.923 0.385 CA 1.488 14 residues pruned to eliminate duplicates Z: 31 24.256 2.049 0.685 0.401 0.933 0.367 CA 1.525 18 residues pruned to eliminate duplicates Z: 11 7.920 1.828 0.459 0.511 0.800 0.400 CA 1.162 11 residues pruned to eliminate duplicates Z: 26 19.026 1.992 0.465 0.425 0.920 0.520 CB 1.532 26 residues pruned to eliminate duplicates Z: 25 16.123 2.067 0.654 0.332 0.833 0.500 CA 1.390 25 residues pruned to eliminate duplicates Z: 30 15.701 1.976 0.445 0.390 0.862 0.345 CA 1.330 30 residues pruned to eliminate duplicates Z: 10 8.901 1.733 0.569 0.772 0.889 0.667 CA 0.965 10 residues pruned to eliminate duplicates Z: 26 18.988 2.066 0.521 0.447 0.880 0.480 CA 1.451 26 residues pruned to eliminate duplicates Z: 29 18.364 1.980 0.507 0.405 0.893 0.357 CA 1.440 26 residues pruned to eliminate duplicates Z: 11 10.617 1.695 0.701 0.742 0.900 0.600 CA 1.042 11 residues pruned to eliminate duplicates Z: 23 16.551 2.065 0.528 0.434 0.864 0.409 CA 1.386 23 residues pruned to eliminate duplicates Z: 61 28.727 1.868 0.589 0.504 0.917 0.550 CA 1.357 61 residues pruned to eliminate duplicates Z: 18 4.960 1.591 0.377 0.177 0.647 0.471 CB 1.254 24 residues pruned to eliminate duplicates Z: 9 7.692 1.511 1.052 0.484 0.875 0.625 N 1.018 9 residues pruned to eliminate duplicates Z: 34 16.049 1.982 0.485 0.347 0.879 0.545 CB 1.275 34 residues pruned to eliminate duplicates Z: 17 7.445 1.829 0.462 0.356 0.812 0.438 CB 1.001 17 residues pruned to eliminate duplicates Z: 30 12.520 1.973 0.363 0.355 0.862 0.448 CB 1.173 30 residues pruned to eliminate duplicates Z: 18 12.211 2.032 0.480 0.377 0.824 0.412 CB 1.363 18 residues pruned to eliminate duplicates Z: 32 13.798 1.955 0.377 0.322 0.871 0.516 CB 1.286 32 residues pruned to eliminate duplicates Z: 33 14.889 1.986 0.423 0.331 0.875 0.531 CB 1.281 33 residues pruned to eliminate duplicates Z: 32 14.391 1.893 0.537 0.308 0.839 0.452 CB 1.310 32 residues pruned to eliminate duplicates Z: 30 15.561 2.024 0.471 0.340 0.862 0.586 CB 1.340 30 residues pruned to eliminate duplicates Z: 33 12.877 1.880 0.517 0.320 0.812 0.438 CB 1.198 33 residues pruned to eliminate duplicates Z: 29 12.756 1.975 0.580 0.306 0.714 0.536 CB 1.341 29 residues pruned to eliminate duplicates Z: 37 15.243 1.909 0.535 0.319 0.861 0.444 CB 1.230 37 residues pruned to eliminate duplicates Z: 33 12.345 1.909 0.510 0.330 0.750 0.469 CB 1.216 33 residues pruned to eliminate duplicates Z: 30 15.250 2.057 0.411 0.401 0.828 0.483 CB 1.309 30 residues pruned to eliminate duplicates Z: 35 16.970 1.994 0.540 0.361 0.824 0.588 CB 1.337 24 residues pruned to eliminate duplicates Z: 6 6.184 1.858 0.863 0.284 0.800 0.600 CA 1.274 Z: 6 3.423 1.520 0.219 0.522 0.800 0.200 CB 1.010 Z: 6 3.301 1.703 -0.041 0.475 1.000 0.800 CA 0.927 Z: 31 15.018 1.980 0.466 0.299 0.867 0.567 CB 1.364 37 residues pruned to eliminate duplicates Z: 14 15.442 1.890 0.629 0.515 0.923 0.615 CA 1.484 30 residues pruned to eliminate duplicates Z: 7 5.730 1.603 0.520 0.411 0.833 0.500 CA 1.265 7 residues pruned to eliminate duplicates Z: 20 14.017 1.795 0.476 0.337 1.000 0.526 CB 1.449 13 residues pruned to eliminate duplicates Z: 6 5.704 1.675 1.040 0.380 0.800 0.400 CA 1.060 6 residues pruned to eliminate duplicates Z: 14 11.470 1.898 0.324 0.493 0.923 0.538 CB 1.382 14 residues pruned to eliminate duplicates Z: 15 11.028 1.835 0.439 0.456 0.857 0.500 CB 1.361 15 residues pruned to eliminate duplicates Z: 16 13.044 1.829 0.748 0.446 0.867 0.467 CA 1.284 16 residues pruned to eliminate duplicates Z: 13 15.283 1.980 0.561 0.531 0.917 0.417 CA 1.510 13 residues pruned to eliminate duplicates Z: 16 10.380 1.768 0.486 0.410 0.867 0.600 CB 1.294 16 residues pruned to eliminate duplicates Z: 17 13.074 1.867 0.550 0.387 0.875 0.562 CB 1.455 17 residues pruned to eliminate duplicates Z: 13 12.900 2.009 0.431 0.405 1.000 0.583 CB 1.431 13 residues pruned to eliminate duplicates Z: 20 12.239 1.988 0.447 0.296 0.895 0.474 CA 1.369 20 residues pruned to eliminate duplicates Z: 7 4.267 1.739 0.523 0.347 1.000 0.500 CA 0.776 7 residues pruned to eliminate duplicates Z: 17 11.994 2.001 0.377 0.362 1.000 0.562 CA 1.262 17 residues pruned to eliminate duplicates Z: 19 8.147 1.875 0.320 0.319 0.833 0.667 CA 1.137 19 residues pruned to eliminate duplicates Z: 36 17.771 1.993 0.456 0.348 0.886 0.629 CB 1.378 36 residues pruned to eliminate duplicates Z: 27 10.696 1.881 0.361 0.320 0.808 0.500 CA 1.237 27 residues pruned to eliminate duplicates Z: 17 9.493 1.965 0.285 0.304 1.000 0.562 CA 1.169 17 residues pruned to eliminate duplicates Z: 18 11.332 1.899 0.459 0.386 0.941 0.647 CA 1.189 18 residues pruned to eliminate duplicates Z: 17 10.482 1.978 0.385 0.345 0.938 0.750 CA 1.207 17 residues pruned to eliminate duplicates Z: 20 12.360 1.893 0.513 0.371 0.947 0.474 CA 1.200 21 residues pruned to eliminate duplicates Z: 6 3.425 1.593 0.381 0.288 0.800 0.400 CA 1.105 6 residues pruned to eliminate duplicates Z: 17 15.970 1.978 0.636 0.462 0.938 0.500 CB 1.368 17 residues pruned to eliminate duplicates Z: 16 17.968 1.962 0.828 0.482 0.933 0.533 CA 1.411 16 residues pruned to eliminate duplicates Z: 15 20.554 2.032 0.877 0.555 0.929 0.714 CA 1.471 15 residues pruned to eliminate duplicates Z: 11 14.345 1.992 0.688 0.570 1.000 0.500 CA 1.261 11 residues pruned to eliminate duplicates Z: 33 16.290 1.981 0.404 0.398 0.906 0.656 CA 1.272 33 residues pruned to eliminate duplicates Z: 17 17.124 1.975 0.888 0.427 0.938 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 10 24.011 2.173 1.008 0.648 1.000 0.667 CA 1.597 10 residues pruned to eliminate duplicates Z: 12 17.588 2.018 0.972 0.536 0.909 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 28 18.527 1.926 0.728 0.490 0.926 0.630 CB 1.169 28 residues pruned to eliminate duplicates Z: 13 14.030 2.028 0.668 0.470 1.000 0.667 CA 1.234 14 residues pruned to eliminate duplicates Z: 13 12.149 2.011 0.739 0.462 0.917 0.750 CB 1.137 13 residues pruned to eliminate duplicates Z: 47 26.564 2.029 0.641 0.481 0.891 0.696 CB 1.345 96 residues pruned to eliminate duplicates Z: 30 20.758 1.996 0.693 0.470 0.931 0.621 CB 1.263 Z: 14 9.768 1.970 0.430 0.455 0.846 0.692 CB 1.190 14 residues pruned to eliminate duplicates Z: 14 9.806 1.982 0.479 0.417 0.923 0.615 CA 1.096 14 residues pruned to eliminate duplicates Z: 13 12.300 1.959 0.670 0.418 1.000 0.583 CB 1.182 14 residues pruned to eliminate duplicates Z: 15 9.620 1.885 0.506 0.414 0.929 0.643 CB 1.067 15 residues pruned to eliminate duplicates Z: 13 11.956 2.007 0.642 0.475 0.917 0.667 CA 1.172 13 residues pruned to eliminate duplicates Z: 32 17.729 1.921 0.642 0.436 0.903 0.548 CB 1.194 32 residues pruned to eliminate duplicates Z: 14 13.417 1.999 0.806 0.460 1.000 0.615 CB 1.073 14 residues pruned to eliminate duplicates Z: 16 11.211 1.868 0.693 0.438 0.933 0.600 CB 1.046 13 residues pruned to eliminate duplicates Z: 6 2.308 1.747 0.175 0.407 0.800 0.400 CA 0.693 6 residues pruned to eliminate duplicates Z: 22 12.689 1.958 0.261 0.424 0.905 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 23 11.961 1.879 0.237 0.410 0.909 0.636 CA 1.326 23 residues pruned to eliminate duplicates Z: 25 13.502 1.809 0.454 0.376 0.917 0.542 CB 1.304 25 residues pruned to eliminate duplicates Z: 24 11.834 1.842 0.290 0.393 0.913 0.565 CA 1.274 24 residues pruned to eliminate duplicates Z: 22 12.412 1.923 0.290 0.382 0.952 0.619 CA 1.299 22 residues pruned to eliminate duplicates Z: 25 10.720 1.803 0.289 0.378 0.875 0.375 CB 1.227 25 residues pruned to eliminate duplicates Z: 23 11.076 1.857 0.201 0.365 0.955 0.636 CA 1.283 23 residues pruned to eliminate duplicates Z: 24 9.265 1.830 0.274 0.242 0.870 0.652 CA 1.285 24 residues pruned to eliminate duplicates Z: 27 9.428 1.757 0.287 0.319 0.808 0.462 CB 1.237 27 residues pruned to eliminate duplicates Z: 22 15.343 1.942 0.460 0.371 1.000 0.476 CA 1.355 22 residues pruned to eliminate duplicates Z: 16 10.616 1.932 0.495 0.290 0.933 0.533 CB 1.287 16 residues pruned to eliminate duplicates Z: 29 12.262 1.804 0.393 0.332 0.857 0.607 CB 1.293 29 residues pruned to eliminate duplicates Z: 15 10.710 1.938 0.536 0.338 0.929 0.643 CA 1.235 15 residues pruned to eliminate duplicates Z: 23 12.450 1.862 0.367 0.372 0.909 0.545 CA 1.315 23 residues pruned to eliminate duplicates Z: 19 12.068 2.026 0.187 0.364 0.944 0.500 CA 1.449 19 residues pruned to eliminate duplicates Z: 18 10.609 1.835 0.554 0.404 0.824 0.588 CA 1.211 18 residues pruned to eliminate duplicates Z: 21 12.783 1.923 0.415 0.286 0.950 0.400 CA 1.407 21 residues pruned to eliminate duplicates Z: 32 13.311 1.991 0.358 0.308 0.774 0.516 CB 1.412 32 residues pruned to eliminate duplicates Z: 33 14.011 1.957 0.348 0.294 0.844 0.500 CB 1.401 33 residues pruned to eliminate duplicates Z: 28 11.521 1.939 0.285 0.334 0.815 0.481 CB 1.310 28 residues pruned to eliminate duplicates Z: 6 5.042 2.163 0.461 0.576 0.600 0.600 CB 1.105 6 residues pruned to eliminate duplicates Z: 12 5.157 1.963 0.464 0.266 0.636 0.455 CB 1.110 12 residues pruned to eliminate duplicates Z: 13 8.299 1.890 0.427 0.348 0.750 0.333 CB 1.397 13 residues pruned to eliminate duplicates Z: 10 7.470 2.066 0.283 0.372 0.778 0.444 CB 1.385 10 residues pruned to eliminate duplicates Z: 10 3.933 2.073 0.508 0.286 0.444 0.444 CB 1.201 10 residues pruned to eliminate duplicates Z: 10 7.247 2.052 0.578 0.379 0.667 0.444 CB 1.273 10 residues pruned to eliminate duplicates Z: 10 8.073 2.120 0.659 0.338 0.667 0.556 CB 1.369 10 residues pruned to eliminate duplicates Z: 12 5.098 1.975 0.494 0.298 0.636 0.545 CB 1.026 12 residues pruned to eliminate duplicates Z: 15 5.898 1.796 0.488 0.250 0.643 0.429 CB 1.224 15 residues pruned to eliminate duplicates Z: 16 10.429 1.712 0.572 0.435 0.867 0.533 CB 1.235 Z: 9 7.660 1.781 0.309 0.563 0.875 0.625 CA 1.249 18 residues pruned to eliminate duplicates Z: 13 9.716 1.752 0.410 0.493 0.833 0.500 CB 1.372 13 residues pruned to eliminate duplicates Z: 10 11.570 1.683 0.589 0.670 0.889 0.667 C 1.386 9 residues pruned to eliminate duplicates Z: 7 5.615 1.630 0.618 0.347 0.833 0.500 CA 1.230 7 residues pruned to eliminate duplicates Z: 9 8.790 1.915 0.572 0.432 0.875 0.625 CA 1.266 9 residues pruned to eliminate duplicates Z: 9 11.606 1.967 0.625 0.422 0.875 0.625 N 1.591 9 residues pruned to eliminate duplicates Z: 17 9.664 1.901 0.467 0.365 0.875 0.562 CB 1.145 17 residues pruned to eliminate duplicates Z: 50 16.797 1.957 0.371 0.287 0.857 0.531 CB 1.325 50 residues pruned to eliminate duplicates Z: 20 10.464 1.890 0.522 0.332 0.842 0.474 CB 1.191 20 residues pruned to eliminate duplicates Z: 17 7.675 1.817 0.415 0.324 0.812 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 21 5.236 1.485 0.539 0.203 0.750 0.350 CB 0.971 21 residues pruned to eliminate duplicates Z: 8 6.809 2.019 0.593 0.235 0.857 0.286 CB 1.270 8 residues pruned to eliminate duplicates Z: 9 6.801 1.960 0.868 0.242 0.750 0.375 CB 1.180 9 residues pruned to eliminate duplicates Z: 9 5.644 1.956 0.726 0.243 0.750 0.125 CB 1.061 9 residues pruned to eliminate duplicates Z: 22 9.345 1.789 0.564 0.320 0.714 0.429 CB 1.244 22 residues pruned to eliminate duplicates Z: 33 17.940 1.964 0.577 0.360 0.906 0.500 CB 1.315 35 residues pruned to eliminate duplicates Z: 8 4.110 1.380 0.554 0.381 0.857 0.429 CB 0.959 8 residues pruned to eliminate duplicates Z: 31 10.835 1.932 0.559 0.284 0.767 0.400 CB 1.093 31 residues pruned to eliminate duplicates Z: 24 15.251 2.002 0.496 0.319 0.913 0.435 CA 1.420 24 residues pruned to eliminate duplicates Z: 25 14.767 1.901 0.395 0.370 0.958 0.458 CA 1.364 25 residues pruned to eliminate duplicates Z: 40 17.278 2.013 0.413 0.318 0.872 0.487 CB 1.364 40 residues pruned to eliminate duplicates Z: 42 17.796 1.950 0.460 0.349 0.902 0.463 CB 1.273 42 residues pruned to eliminate duplicates Z: 19 11.766 1.902 0.723 0.315 0.833 0.500 CA 1.246 19 residues pruned to eliminate duplicates Z: 18 14.238 1.986 0.577 0.416 0.941 0.529 CB 1.279 18 residues pruned to eliminate duplicates Z: 34 16.945 1.891 0.670 0.274 0.879 0.485 CB 1.374 34 residues pruned to eliminate duplicates Z: 35 16.712 1.986 0.449 0.319 0.853 0.500 CB 1.425 35 residues pruned to eliminate duplicates Z: 13 8.883 2.047 0.437 0.197 0.917 0.333 CB 1.364 13 residues pruned to eliminate duplicates Z: 20 14.675 1.990 0.439 0.360 0.947 0.632 CA 1.443 20 residues pruned to eliminate duplicates Z: 12 10.946 2.047 0.560 0.198 0.909 0.455 CB 1.630 12 residues pruned to eliminate duplicates Z: 30 13.977 1.998 0.363 0.319 0.828 0.448 CB 1.407 30 residues pruned to eliminate duplicates Z: 17 14.229 1.983 0.627 0.361 0.938 0.500 CA 1.365 17 residues pruned to eliminate duplicates Z: 31 14.025 2.042 0.363 0.324 0.833 0.433 CB 1.339 31 residues pruned to eliminate duplicates Z: 26 14.490 1.940 0.575 0.341 0.880 0.480 CB 1.283 26 residues pruned to eliminate duplicates Z: 26 11.666 1.900 0.514 0.328 0.800 0.520 CA 1.224 26 residues pruned to eliminate duplicates Z: 32 14.635 1.994 0.445 0.255 0.839 0.452 CB 1.441 32 residues pruned to eliminate duplicates Z: 30 15.061 1.993 0.521 0.317 0.793 0.483 CB 1.425 30 residues pruned to eliminate duplicates Z: 32 16.474 2.009 0.380 0.334 0.903 0.516 CA 1.417 32 residues pruned to eliminate duplicates Z: 17 9.357 2.055 0.266 0.292 0.812 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 7 2.658 1.811 0.070 0.196 0.667 0.500 CB 1.207 7 residues pruned to eliminate duplicates Z: 15 9.301 2.111 0.350 0.228 0.714 0.571 CB 1.679 15 residues pruned to eliminate duplicates Z: 17 9.631 2.009 0.382 0.251 0.750 0.438 CB 1.540 17 residues pruned to eliminate duplicates Z: 18 10.334 1.966 0.312 0.327 0.824 0.529 CA 1.426 18 residues pruned to eliminate duplicates Z: 42 17.390 1.971 0.448 0.322 0.854 0.488 CB 1.357 42 residues pruned to eliminate duplicates Z: 19 10.108 1.978 0.190 0.367 0.778 0.389 CB 1.500 19 residues pruned to eliminate duplicates Z: 16 8.206 2.008 0.198 0.372 0.733 0.533 CB 1.378 16 residues pruned to eliminate duplicates Z: 31 16.624 1.980 0.419 0.402 0.867 0.467 CA 1.381 31 residues pruned to eliminate duplicates Z: 15 12.286 2.103 0.256 0.397 0.929 0.429 CB 1.492 16 residues pruned to eliminate duplicates Z: 8 4.109 1.534 0.092 0.399 0.857 0.571 CA 1.203 8 residues pruned to eliminate duplicates Z: 17 11.530 1.983 0.219 0.388 0.938 0.562 CB 1.432 17 residues pruned to eliminate duplicates Z: 51 18.639 1.993 0.516 0.337 0.780 0.400 CB 1.337 128 residues pruned to eliminate duplicates Z: 32 19.136 2.031 0.650 0.350 0.806 0.548 CA 1.495 Z: 6 2.168 1.415 0.446 0.292 0.800 0.200 CA 0.748 Z: 7 3.242 1.740 0.547 0.220 0.833 0.333 CA 0.820 5 residues pruned to eliminate duplicates Z: 11 4.634 1.527 0.989 0.307 0.700 0.400 CA 0.854 7 residues pruned to eliminate duplicates Z: 6 5.344 1.787 0.557 0.395 0.800 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 22 11.552 1.948 0.662 0.219 0.857 0.286 CB 1.264 12 residues pruned to eliminate duplicates Z: 15 9.710 2.177 0.361 0.219 0.786 0.500 CB 1.550 15 residues pruned to eliminate duplicates Z: 13 9.087 2.089 0.670 0.245 0.750 0.500 CA 1.345 13 residues pruned to eliminate duplicates Z: 19 12.181 2.070 0.706 0.209 0.778 0.389 CA 1.475 22 residues pruned to eliminate duplicates Z: 22 10.848 1.933 0.644 0.277 0.810 0.333 CB 1.185 20 residues pruned to eliminate duplicates Z: 39 15.710 2.042 0.503 0.297 0.763 0.342 CB 1.366 39 residues pruned to eliminate duplicates Z: 17 14.132 2.142 0.637 0.306 0.812 0.500 CB 1.539 17 residues pruned to eliminate duplicates Z: 14 8.951 1.882 0.488 0.286 0.846 0.538 CB 1.332 14 residues pruned to eliminate duplicates Z: 16 11.877 2.133 0.738 0.224 0.800 0.333 CA 1.429 16 residues pruned to eliminate duplicates Z: 11 2.553 1.622 0.820 0.104 0.500 0.000 CB 0.905 6 1.535 1.580 0.932 0.405 0.600 0.200 CA 0.414 ? Z: 9 3.780 1.481 0.730 0.481 0.625 0.250 CA 0.851 7 residues pruned to eliminate duplicates Z: 44 27.691 2.072 0.550 0.537 0.884 0.698 CB 1.435 74 residues pruned to eliminate duplicates Z: 17 25.145 2.207 0.490 0.818 1.000 0.812 CB 1.451 17 residues pruned to eliminate duplicates Z: 30 32.068 1.989 0.658 0.749 0.966 0.897 CB 1.498 30 residues pruned to eliminate duplicates Z: 27 31.377 2.028 0.596 0.787 1.000 0.731 CB 1.477 27 residues pruned to eliminate duplicates Z: 30 27.575 2.022 0.639 0.627 0.897 0.586 CB 1.528 30 residues pruned to eliminate duplicates Z: 22 28.006 2.138 0.592 0.680 0.952 0.762 CB 1.598 22 residues pruned to eliminate duplicates Z: 21 24.741 2.108 0.767 0.611 0.850 0.550 CB 1.573 21 residues pruned to eliminate duplicates Z: 25 33.331 2.110 0.578 0.786 1.000 0.708 CB 1.589 25 residues pruned to eliminate duplicates Z: 28 35.472 2.034 0.756 0.793 1.000 0.815 CB 1.478 28 residues pruned to eliminate duplicates Z: 24 35.612 2.148 0.696 0.764 1.000 0.696 CB 1.613 24 residues pruned to eliminate duplicates Z: 28 31.860 2.051 0.632 0.768 0.963 0.815 CB 1.500 28 residues pruned to eliminate duplicates Z: 32 27.582 1.983 0.532 0.713 0.968 0.677 CB 1.389 32 residues pruned to eliminate duplicates Z: 28 31.844 2.038 0.667 0.711 0.963 0.667 CB 1.547 28 residues pruned to eliminate duplicates Z: 35 28.022 1.939 0.658 0.671 0.912 0.676 CB 1.401 35 residues pruned to eliminate duplicates Z: 23 31.429 2.147 0.721 0.690 0.955 0.727 CB 1.597 23 residues pruned to eliminate duplicates Z: 54 35.151 2.175 0.618 0.484 0.887 0.623 CB 1.573 54 residues pruned to eliminate duplicates Z: 23 28.350 2.074 0.623 0.668 0.955 0.409 CB 1.610 23 residues pruned to eliminate duplicates Z: 31 22.455 2.153 0.594 0.386 0.933 0.533 CB 1.445 31 residues pruned to eliminate duplicates Z: 56 38.597 2.147 0.715 0.480 0.945 0.527 CB 1.525 56 residues pruned to eliminate duplicates Z: 32 24.998 2.150 0.748 0.381 0.935 0.484 CB 1.451 32 residues pruned to eliminate duplicates Z: 19 12.523 2.067 0.735 0.208 0.889 0.500 CB 1.307 19 residues pruned to eliminate duplicates Z: 54 43.523 2.166 0.845 0.509 0.925 0.642 CB 1.605 54 residues pruned to eliminate duplicates Z: 62 37.412 2.135 0.719 0.476 0.885 0.590 CB 1.510 62 residues pruned to eliminate duplicates Z: 26 24.361 2.225 0.714 0.440 0.880 0.600 CB 1.545 26 residues pruned to eliminate duplicates Z: 27 11.688 1.880 0.696 0.326 0.885 0.577 CB 0.984 27 residues pruned to eliminate duplicates Z: 26 26.477 2.246 0.744 0.462 0.920 0.640 CB 1.527 26 residues pruned to eliminate duplicates Z: 32 23.821 2.136 0.746 0.377 0.871 0.516 CB 1.502 32 residues pruned to eliminate duplicates Z: 32 24.631 2.162 0.709 0.357 0.903 0.645 CA 1.546 32 residues pruned to eliminate duplicates Z: 30 20.613 2.178 0.644 0.397 0.828 0.586 CB 1.439 30 residues pruned to eliminate duplicates Z: 28 20.589 2.142 0.579 0.428 0.889 0.593 CB 1.421 28 residues pruned to eliminate duplicates Z: 34 24.713 2.149 0.680 0.461 0.848 0.545 CB 1.461 34 residues pruned to eliminate duplicates Z: 64 34.932 2.125 0.617 0.421 0.889 0.603 CB 1.565 64 residues pruned to eliminate duplicates Z: 30 22.881 2.219 0.646 0.354 0.862 0.586 CB 1.580 30 residues pruned to eliminate duplicates Z: 21 14.096 2.074 0.545 0.392 0.800 0.450 CB 1.379 21 residues pruned to eliminate duplicates Z: 30 21.915 2.169 0.576 0.330 0.966 0.552 CB 1.486 30 residues pruned to eliminate duplicates Z: 29 23.620 2.201 0.709 0.391 0.893 0.571 CB 1.492 29 residues pruned to eliminate duplicates Z: 34 20.087 2.067 0.590 0.349 0.879 0.424 CB 1.425 34 residues pruned to eliminate duplicates Z: 30 23.741 2.184 0.680 0.377 0.897 0.621 CB 1.528 30 residues pruned to eliminate duplicates Z: 31 24.252 2.163 0.733 0.340 0.933 0.500 CB 1.507 31 residues pruned to eliminate duplicates Z: 27 28.092 2.217 0.823 0.408 0.962 0.462 CB 1.561 27 residues pruned to eliminate duplicates Z: 9 12.111 1.769 0.608 0.867 1.000 0.375 CA 1.101 9 residues pruned to eliminate duplicates Z: 26 26.509 2.219 0.886 0.418 0.920 0.520 CB 1.500 26 residues pruned to eliminate duplicates Z: 12 12.052 1.576 0.463 0.822 1.000 0.182 CB 1.193 12 residues pruned to eliminate duplicates Z: 14 8.609 1.749 0.739 0.418 0.692 0.462 CB 1.236 14 residues pruned to eliminate duplicates Z: 7 8.613 1.733 0.812 0.492 1.000 0.500 CB 1.129 7 residues pruned to eliminate duplicates Z: 14 9.459 1.894 0.630 0.374 0.769 0.538 CA 1.263 14 residues pruned to eliminate duplicates Z: 12 9.370 1.936 0.518 0.391 0.818 0.636 CB 1.318 12 residues pruned to eliminate duplicates Z: 14 10.300 1.885 0.499 0.426 0.846 0.462 CA 1.291 14 residues pruned to eliminate duplicates Z: 7 2.753 1.643 0.152 0.317 0.667 0.500 CA 1.091 7 residues pruned to eliminate duplicates Z: 12 9.718 1.864 0.549 0.393 0.909 0.545 CB 1.250 12 residues pruned to eliminate duplicates Z: 15 8.909 1.790 0.509 0.371 0.857 0.500 CA 1.181 15 residues pruned to eliminate duplicates Z: 14 7.376 1.887 0.464 0.359 0.692 0.615 CB 1.245 14 residues pruned to eliminate duplicates Z: 14 10.499 1.930 0.579 0.417 0.846 0.692 CB 1.232 14 residues pruned to eliminate duplicates Z: 7 7.291 1.996 0.388 0.410 0.833 0.667 N 1.417 8 residues pruned to eliminate duplicates Z: 7 7.366 1.508 0.982 0.542 1.000 0.667 N 0.966 7 residues pruned to eliminate duplicates Z: 18 10.371 1.966 0.841 0.333 0.765 0.588 CB 1.092 16 residues pruned to eliminate duplicates Z: 24 11.108 1.979 0.511 0.280 0.783 0.435 CB 1.269 25 residues pruned to eliminate duplicates Z: 7 4.953 1.902 0.267 0.358 0.833 0.500 N 1.173 7 residues pruned to eliminate duplicates Z: 16 12.952 1.933 0.718 0.443 0.933 0.533 CB 1.144 16 residues pruned to eliminate duplicates Z: 7 2.111 1.386 0.470 0.417 0.500 0.333 N 0.923 7 residues pruned to eliminate duplicates Z: 14 12.499 1.906 0.743 0.417 0.923 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 8 8.053 1.809 1.002 0.540 0.857 0.571 CA 0.943 8 residues pruned to eliminate duplicates Z: 6 3.959 1.769 0.874 0.460 0.600 0.600 CB 0.928 6 residues pruned to eliminate duplicates Z: 6 2.855 1.445 0.933 0.423 1.000 0.400 CA 0.495 Z: 6 4.366 1.614 0.955 0.287 0.800 0.800 CA 0.982 5 residues pruned to eliminate duplicates Z: 7 5.006 1.502 0.826 0.490 0.833 0.667 CB 0.903 7 residues pruned to eliminate duplicates Z: 10 7.854 1.925 0.727 0.554 0.778 0.667 CB 0.960 9 residues pruned to eliminate duplicates Z: 6 9.670 2.102 0.543 0.484 1.000 0.600 CB 1.355 Z: 6 4.726 1.542 0.312 0.303 1.000 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 16 8.068 1.747 0.433 0.341 0.800 0.400 CB 1.236 16 residues pruned to eliminate duplicates Z: 10 6.516 1.761 0.401 0.388 0.778 0.667 CA 1.274 9 residues pruned to eliminate duplicates 6 1.889 1.412 -0.098 0.414 0.800 0.600 CA 0.907 ? Z: 22 46.334 2.256 0.903 0.923 1.000 0.762 CB 1.655 22 residues pruned to eliminate duplicates Z: 54 36.734 2.124 0.607 0.564 0.925 0.453 CB 1.503 54 residues pruned to eliminate duplicates Z: 50 38.247 2.152 0.583 0.633 0.939 0.510 CB 1.507 41 residues pruned to eliminate duplicates Z: 22 38.583 2.212 0.788 0.909 0.952 0.571 CB 1.587 22 residues pruned to eliminate duplicates Z: 40 31.880 2.063 0.622 0.609 0.974 0.590 CB 1.412 40 residues pruned to eliminate duplicates Z: 40 42.596 2.199 0.719 0.688 0.949 0.615 CB 1.601 40 residues pruned to eliminate duplicates Z: 34 39.860 2.210 0.736 0.679 0.970 0.485 CB 1.582 34 residues pruned to eliminate duplicates Z: 41 38.581 2.160 0.816 0.634 0.925 0.475 CB 1.483 41 residues pruned to eliminate duplicates Z: 77 42.325 2.094 0.689 0.530 0.934 0.500 CB 1.427 77 residues pruned to eliminate duplicates Z: 21 40.162 2.297 0.992 0.925 0.850 0.450 CB 1.621 21 residues pruned to eliminate duplicates Z: 62 43.243 2.171 0.731 0.562 0.951 0.574 CB 1.460 72 residues pruned to eliminate duplicates Z: 24 41.071 2.200 0.903 0.799 0.957 0.478 CB 1.646 39 residues pruned to eliminate duplicates Z: 7 2.686 1.560 0.162 0.287 0.833 0.167 CB 0.923 7 residues pruned to eliminate duplicates Z: 56 43.244 2.166 0.671 0.647 0.945 0.564 CB 1.486 47 residues pruned to eliminate duplicates Z: 11 10.126 1.972 0.176 0.586 0.900 0.800 CA 1.413 11 residues pruned to eliminate duplicates Z: 63 46.237 2.202 0.691 0.589 0.952 0.597 CB 1.521 63 residues pruned to eliminate duplicates Z: 43 43.917 2.185 0.890 0.690 0.952 0.548 CB 1.448 43 residues pruned to eliminate duplicates Z: 41 19.035 1.982 0.608 0.449 0.825 0.525 CB 1.207 41 residues pruned to eliminate duplicates Z: 34 21.898 2.098 0.459 0.472 0.879 0.545 CA 1.458 34 residues pruned to eliminate duplicates Z: 64 42.882 2.171 0.756 0.567 0.937 0.476 CB 1.418 64 residues pruned to eliminate duplicates Z: 15 9.359 1.762 0.385 0.592 0.786 0.429 CB 1.194 15 residues pruned to eliminate duplicates Z: 32 24.673 2.139 0.605 0.519 0.935 0.484 CB 1.354 32 residues pruned to eliminate duplicates Z: 21 20.474 2.007 0.594 0.647 0.950 0.650 CB 1.313 21 residues pruned to eliminate duplicates Z: 37 23.535 2.031 0.630 0.465 0.944 0.472 CB 1.300 37 residues pruned to eliminate duplicates Z: 34 21.633 2.023 0.547 0.530 0.939 0.455 CB 1.244 34 residues pruned to eliminate duplicates Z: 32 21.222 2.124 0.683 0.495 0.839 0.516 CB 1.278 32 residues pruned to eliminate duplicates Z: 29 20.206 2.197 0.560 0.485 0.857 0.464 CB 1.320 29 residues pruned to eliminate duplicates Z: 63 45.625 2.186 0.794 0.576 0.952 0.597 CB 1.443 63 residues pruned to eliminate duplicates Z: 23 18.246 2.122 0.456 0.588 0.955 0.545 CB 1.212 23 residues pruned to eliminate duplicates Z: 25 19.423 2.087 0.875 0.407 0.958 0.542 CB 1.165 25 residues pruned to eliminate duplicates Z: 34 26.052 2.107 0.636 0.545 0.909 0.606 CB 1.384 34 residues pruned to eliminate duplicates Z: 21 18.517 2.199 0.992 0.302 0.850 0.450 CB 1.386 21 residues pruned to eliminate duplicates Z: 62 43.129 2.206 0.818 0.566 0.902 0.459 CB 1.432 34 residues pruned to eliminate duplicates Z: 21 12.883 1.976 0.630 0.370 0.900 0.450 CB 1.142 13 residues pruned to eliminate duplicates Z: 7 5.463 1.316 1.298 0.376 0.833 0.000 CA 1.010 7 residues pruned to eliminate duplicates Z: 56 42.583 2.195 0.926 0.580 0.909 0.545 CB 1.383 56 residues pruned to eliminate duplicates Z: 67 35.713 2.040 0.693 0.545 0.909 0.394 CB 1.340 67 residues pruned to eliminate duplicates Z: 14 13.701 2.191 0.910 0.396 0.769 0.462 CB 1.318 14 residues pruned to eliminate duplicates Z: 62 40.811 2.186 0.720 0.549 0.902 0.541 CB 1.469 59 residues pruned to eliminate duplicates Z: 6 3.315 1.689 0.550 0.213 0.800 0.400 CA 0.992 6 residues pruned to eliminate duplicates Z: 57 33.356 2.119 0.413 0.598 0.964 0.661 CB 1.406 57 residues pruned to eliminate duplicates Z: 29 27.366 2.074 0.556 0.566 1.000 0.714 CB 1.503 29 residues pruned to eliminate duplicates Z: 48 37.779 2.167 0.833 0.581 0.894 0.617 CB 1.437 48 residues pruned to eliminate duplicates Z: 61 36.520 2.135 0.696 0.479 0.900 0.567 CB 1.478 61 residues pruned to eliminate duplicates Z: 61 40.312 2.198 0.556 0.581 0.933 0.650 CB 1.508 61 residues pruned to eliminate duplicates Z: 21 31.027 2.218 0.726 0.679 0.950 0.750 CA 1.617 21 residues pruned to eliminate duplicates Z: 76 40.603 2.084 0.675 0.549 0.920 0.573 CB 1.391 76 residues pruned to eliminate duplicates Z: 33 37.324 2.230 0.632 0.699 0.938 0.750 CB 1.613 33 residues pruned to eliminate duplicates Z: 66 40.953 2.107 0.656 0.610 0.938 0.692 CB 1.397 66 residues pruned to eliminate duplicates Z: 67 40.466 2.139 0.622 0.577 0.924 0.652 CB 1.443 67 residues pruned to eliminate duplicates Z: 14 9.509 1.930 0.610 0.289 0.769 0.308 CB 1.399 15 residues pruned to eliminate duplicates Z: 6 3.929 1.690 0.385 0.287 1.000 0.000 CA 0.953 6 residues pruned to eliminate duplicates Z: 15 11.036 1.923 0.646 0.251 0.857 0.429 CB 1.447 17 residues pruned to eliminate duplicates Z: 7 2.770 1.581 0.570 0.226 0.667 0.000 CB 0.941 7 residues pruned to eliminate duplicates Z: 13 8.095 1.787 0.523 0.293 0.833 0.500 CA 1.299 13 residues pruned to eliminate duplicates Z: 18 7.138 1.643 0.455 0.296 0.765 0.353 CA 1.189 18 residues pruned to eliminate duplicates Z: 12 9.703 1.717 0.321 0.519 0.909 0.545 CB 1.393 12 residues pruned to eliminate duplicates Z: 11 7.754 1.842 0.322 0.500 0.800 0.600 CB 1.259 11 residues pruned to eliminate duplicates Z: 35 18.566 1.921 0.534 0.370 0.853 0.529 CB 1.456 35 residues pruned to eliminate duplicates Z: 11 10.408 1.819 0.391 0.422 1.000 0.200 N 1.412 11 residues pruned to eliminate duplicates Z: 19 8.900 1.908 0.193 0.298 0.833 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 38 15.836 1.865 0.477 0.285 0.865 0.378 CB 1.392 38 residues pruned to eliminate duplicates Z: 46 17.302 1.878 0.510 0.328 0.822 0.467 CB 1.336 46 residues pruned to eliminate duplicates Z: 37 14.814 1.865 0.302 0.326 0.889 0.444 CB 1.384 37 residues pruned to eliminate duplicates Z: 31 15.250 1.895 0.479 0.321 0.867 0.533 CB 1.396 30 residues pruned to eliminate duplicates Z: 6 5.902 1.951 0.144 0.512 1.000 0.600 CB 1.169 6 residues pruned to eliminate duplicates Z: 41 15.754 1.824 0.520 0.324 0.875 0.600 CB 1.246 41 residues pruned to eliminate duplicates Z: 34 17.440 1.946 0.591 0.347 0.848 0.485 CB 1.364 34 residues pruned to eliminate duplicates Z: 16 9.414 1.849 0.230 0.397 0.867 0.533 CA 1.375 16 residues pruned to eliminate duplicates Z: 36 18.383 1.912 0.572 0.345 0.886 0.543 CB 1.382 36 residues pruned to eliminate duplicates Z: 24 14.937 1.954 0.588 0.398 0.870 0.609 CB 1.285 24 residues pruned to eliminate duplicates Z: 32 17.228 1.945 0.547 0.336 0.871 0.581 CB 1.412 32 residues pruned to eliminate duplicates Z: 15 8.669 1.927 0.372 0.340 0.857 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 17 9.038 1.889 0.371 0.330 0.812 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 36 19.055 1.900 0.520 0.366 0.914 0.514 CB 1.410 36 residues pruned to eliminate duplicates Z: 25 16.295 1.996 0.559 0.353 0.875 0.542 CB 1.432 25 residues pruned to eliminate duplicates Z: 36 14.980 1.864 0.567 0.334 0.771 0.514 CB 1.347 36 residues pruned to eliminate duplicates Z: 36 18.797 1.929 0.571 0.317 0.886 0.514 CB 1.449 36 residues pruned to eliminate duplicates Z: 39 17.225 1.884 0.489 0.354 0.895 0.526 CB 1.303 39 residues pruned to eliminate duplicates Z: 24 14.458 2.006 0.469 0.365 0.826 0.652 CB 1.432 24 residues pruned to eliminate duplicates Z: 30 14.919 1.892 0.440 0.289 0.931 0.483 CB 1.385 30 residues pruned to eliminate duplicates Z: 23 15.867 2.018 0.493 0.396 0.864 0.682 CB 1.452 23 residues pruned to eliminate duplicates Z: 12 5.575 1.838 0.658 0.232 0.636 0.273 CB 1.183 12 residues pruned to eliminate duplicates Z: 36 18.259 1.917 0.628 0.345 0.829 0.571 CB 1.412 36 residues pruned to eliminate duplicates Z: 27 13.294 1.937 0.430 0.293 0.846 0.500 CB 1.402 27 residues pruned to eliminate duplicates Z: 21 11.730 1.969 0.346 0.325 0.850 0.400 CB 1.411 21 residues pruned to eliminate duplicates Z: 34 15.091 1.857 0.458 0.322 0.909 0.545 CB 1.299 34 residues pruned to eliminate duplicates Z: 11 6.876 1.881 0.525 0.182 0.800 0.300 CA 1.389 11 residues pruned to eliminate duplicates Z: 28 15.127 1.941 0.421 0.318 0.926 0.444 CB 1.394 28 residues pruned to eliminate duplicates Z: 25 14.492 1.930 0.529 0.374 0.875 0.583 CB 1.311 25 residues pruned to eliminate duplicates Z: 11 10.973 1.876 0.145 0.544 1.000 0.400 CB 1.548 11 residues pruned to eliminate duplicates Z: 16 6.276 1.836 0.296 0.355 0.667 0.333 CB 1.195 16 residues pruned to eliminate duplicates Z: 13 14.302 1.923 0.475 0.576 0.917 0.583 CB 1.477 11 residues pruned to eliminate duplicates Z: 10 10.770 1.695 0.350 0.774 1.000 0.222 CA 1.231 10 residues pruned to eliminate duplicates Z: 28 21.453 2.056 0.695 0.412 0.852 0.556 CA 1.524 28 residues pruned to eliminate duplicates Z: 7 4.217 1.768 0.290 0.291 0.667 0.167 O 1.432 7 residues pruned to eliminate duplicates Z: 15 9.512 1.796 0.471 0.418 0.786 0.143 CB 1.334 15 residues pruned to eliminate duplicates 646 residues left after pruning, divided into chains as follows: A: 34 B: 7 C: 7 D: 12 E: 8 F: 7 G: 14 H: 15 I: 56 J: 62 K: 10 L: 59 M: 12 N: 29 O: 20 P: 30 Q: 7 R: 106 S: 30 T: 6 U: 17 V: 35 W: 6 X: 11 Y: 39 Z: 7 CC for partial structure against native data = 24.66 % ------------------------------------------------------------------------------ Global autotracing cycle 8 = 0.300, Contrast = 0.390, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.451, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6564 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1282 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 16.383 2.169 0.726 0.288 0.850 0.450 CA 1.461 B: 11 15.706 1.969 0.835 0.894 0.800 0.700 CB 1.232 C: 19 13.019 2.024 0.365 0.383 0.833 0.500 CA 1.509 D: 9 15.781 2.041 0.358 0.914 1.000 0.875 CA 1.424 9 residues pruned to eliminate duplicates E: 22 35.365 2.145 0.646 0.882 1.000 0.905 CB 1.581 F: 13 24.333 2.284 0.384 0.923 1.000 0.917 CA 1.562 G: 19 22.940 2.011 0.566 0.923 0.944 0.667 CB 1.278 13 residues pruned to eliminate duplicates H: 9 8.752 1.843 0.654 0.666 0.875 0.750 CB 0.994 I: 49 40.357 2.180 0.624 0.641 0.938 0.688 CB 1.538 22 residues pruned to eliminate duplicates J: 12 20.542 2.015 0.604 0.871 0.909 0.545 CA 1.538 11 residues pruned to eliminate duplicates K: 19 29.305 2.127 0.654 0.862 1.000 0.778 CA 1.442 19 residues pruned to eliminate duplicates L: 18 26.298 2.009 0.485 0.930 0.941 0.824 CB 1.588 M: 60 42.602 2.195 0.606 0.591 0.949 0.610 CB 1.520 49 residues pruned to eliminate duplicates N: 20 22.369 1.959 0.559 0.881 0.947 0.789 CA 1.285 O: 27 25.374 2.163 0.945 0.335 0.923 0.462 CB 1.536 21 residues pruned to eliminate duplicates P: 22 34.220 2.236 0.627 0.866 0.952 0.667 CB 1.578 22 residues pruned to eliminate duplicates Q: 20 18.543 1.953 0.334 0.912 1.000 0.895 CB 1.156 19 residues pruned to eliminate duplicates R: 22 39.015 2.196 0.722 0.907 1.000 0.952 CB 1.600 22 residues pruned to eliminate duplicates S: 12 21.618 2.075 0.431 0.862 1.000 0.818 CB 1.612 12 residues pruned to eliminate duplicates T: 10 10.434 1.779 0.287 0.852 1.000 0.667 CB 1.124 U: 22 31.456 2.134 0.488 0.882 1.000 0.810 CB 1.565 22 residues pruned to eliminate duplicates V: 17 29.706 2.107 0.869 0.937 1.000 0.750 CA 1.312 20 residues pruned to eliminate duplicates W: 12 15.039 1.963 0.435 0.857 0.818 0.545 CA 1.449 12 residues pruned to eliminate duplicates X: 13 13.755 2.074 0.779 0.370 0.833 0.583 CA 1.485 Y: 11 31.847 2.322 0.810 0.924 0.900 0.900 CB 1.870 11 residues pruned to eliminate duplicates Z: 48 40.551 2.075 0.771 0.702 0.915 0.553 CA 1.464 29 residues pruned to eliminate duplicates Z: 18 14.361 2.004 0.051 0.917 0.941 0.941 CB 1.241 18 residues pruned to eliminate duplicates Z: 22 43.801 2.233 0.810 0.927 1.000 0.667 CB 1.657 22 residues pruned to eliminate duplicates Z: 12 21.543 1.987 0.516 0.882 1.000 0.727 CA 1.560 12 residues pruned to eliminate duplicates Z: 31 16.726 1.980 0.526 0.410 0.900 0.500 CB 1.233 Z: 29 22.446 2.053 0.716 0.449 0.964 0.571 CB 1.317 31 residues pruned to eliminate duplicates Z: 17 14.022 2.055 0.260 0.457 0.938 0.562 CA 1.509 Z: 77 35.101 1.979 0.670 0.467 0.895 0.553 CA 1.408 48 residues pruned to eliminate duplicates Z: 12 9.082 1.700 0.620 0.466 0.909 0.818 CB 1.132 Z: 20 26.059 1.971 0.403 0.903 0.947 0.737 CB 1.626 20 residues pruned to eliminate duplicates Z: 18 27.838 2.021 0.523 0.925 0.941 0.882 CB 1.635 18 residues pruned to eliminate duplicates Z: 12 24.096 2.072 0.536 0.896 1.000 1.000 CB 1.634 12 residues pruned to eliminate duplicates Z: 20 13.181 2.092 0.716 0.345 0.684 0.421 CA 1.457 12 residues pruned to eliminate duplicates Z: 22 40.734 2.239 0.740 0.896 1.000 0.667 CB 1.634 22 residues pruned to eliminate duplicates Z: 20 28.911 1.970 0.895 0.925 1.000 0.842 CB 1.247 20 residues pruned to eliminate duplicates Z: 17 28.938 2.094 0.740 0.919 1.000 0.938 CA 1.399 17 residues pruned to eliminate duplicates Z: 19 12.537 1.818 0.496 0.426 0.889 0.611 CA 1.320 Z: 26 21.307 1.866 0.626 0.529 0.960 0.480 CA 1.421 6 residues pruned to eliminate duplicates Z: 21 32.822 2.172 0.676 0.934 0.900 0.750 CB 1.562 21 residues pruned to eliminate duplicates Z: 19 22.001 1.986 0.646 0.925 1.000 0.778 CB 1.113 19 residues pruned to eliminate duplicates Z: 19 24.158 2.084 0.506 0.911 1.000 0.833 CA 1.285 19 residues pruned to eliminate duplicates Z: 11 13.793 2.024 0.726 0.404 0.900 0.600 CB 1.534 12 residues pruned to eliminate duplicates Z: 7 5.056 1.644 0.072 0.849 0.667 0.667 C 1.302 Z: 21 35.563 2.290 0.578 0.916 0.950 0.800 CB 1.637 21 residues pruned to eliminate duplicates Z: 6 6.948 2.189 0.813 0.555 0.800 0.600 CB 0.928 6 residues pruned to eliminate duplicates Z: 18 8.500 1.661 0.506 0.374 0.824 0.471 CB 1.145 Z: 21 46.926 2.317 0.826 0.931 1.000 0.650 CB 1.732 21 residues pruned to eliminate duplicates Z: 37 15.601 1.944 0.427 0.298 0.833 0.500 CB 1.410 Z: 8 12.174 1.961 0.249 0.874 1.000 0.571 CB 1.368 Z: 28 14.478 2.004 0.534 0.388 0.815 0.481 CB 1.252 9 residues pruned to eliminate duplicates Z: 13 23.182 2.291 0.446 0.899 0.917 0.833 CB 1.574 13 residues pruned to eliminate duplicates Z: 20 11.826 1.970 0.115 0.441 1.000 0.632 CB 1.312 Z: 11 7.630 2.016 0.115 0.413 0.800 0.400 CA 1.470 11 residues pruned to eliminate duplicates Z: 36 14.358 1.903 0.405 0.319 0.829 0.486 CB 1.337 20 residues pruned to eliminate duplicates Z: 22 37.997 2.165 0.665 0.912 1.000 0.952 CA 1.629 22 residues pruned to eliminate duplicates Z: 61 37.488 2.033 0.703 0.528 0.867 0.517 CA 1.569 35 residues pruned to eliminate duplicates Z: 13 12.739 2.082 0.236 0.468 1.000 0.667 CB 1.476 13 residues pruned to eliminate duplicates Z: 8 12.483 1.891 0.735 0.848 1.000 0.714 CA 1.067 8 residues pruned to eliminate duplicates Z: 31 15.202 1.841 0.368 0.474 0.933 0.533 CA 1.212 19 residues pruned to eliminate duplicates Z: 14 8.874 2.051 0.419 0.234 0.923 0.385 CB 1.247 Z: 11 12.687 1.948 0.359 0.904 0.800 0.300 CB 1.349 9 residues pruned to eliminate duplicates Z: 6 6.680 1.682 0.230 0.651 1.000 0.400 N 1.255 6 residues pruned to eliminate duplicates Z: 11 12.540 1.908 0.580 0.849 0.800 0.800 CA 1.219 8 residues pruned to eliminate duplicates Z: 6 10.731 1.935 0.488 0.835 0.800 0.400 CB 1.561 7 residues pruned to eliminate duplicates Z: 12 17.190 1.925 0.385 0.853 1.000 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 18 26.589 2.060 0.630 0.936 0.941 0.706 CA 1.420 18 residues pruned to eliminate duplicates Z: 11 14.651 1.852 0.576 0.901 1.000 0.700 CB 1.133 10 residues pruned to eliminate duplicates Z: 21 39.571 2.289 0.702 0.922 0.950 0.700 CB 1.681 21 residues pruned to eliminate duplicates Z: 7 11.990 1.962 0.189 0.747 1.000 0.667 CA 1.683 Z: 22 44.085 2.223 0.842 0.898 1.000 0.524 CB 1.679 22 residues pruned to eliminate duplicates Z: 9 5.315 1.881 -0.103 0.462 0.875 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 7 10.464 1.821 0.501 0.538 1.000 0.833 CB 1.505 Z: 9 6.576 1.885 0.356 0.579 0.875 0.625 CB 0.963 Z: 10 16.214 1.812 0.660 0.817 0.889 0.889 N 1.534 10 residues pruned to eliminate duplicates Z: 48 38.658 2.006 0.755 0.680 0.957 0.532 CB 1.418 43 residues pruned to eliminate duplicates Z: 17 11.890 1.850 0.467 0.360 0.875 0.438 CA 1.455 Z: 16 10.320 1.886 0.261 0.378 1.000 0.600 CA 1.276 16 residues pruned to eliminate duplicates Z: 14 12.331 1.795 0.314 0.609 0.846 0.769 CB 1.546 18 residues pruned to eliminate duplicates Z: 19 14.331 1.822 0.861 0.407 0.889 0.611 CB 1.235 17 residues pruned to eliminate duplicates Z: 12 12.990 1.813 0.294 0.847 0.909 0.636 CB 1.364 12 residues pruned to eliminate duplicates Z: 22 44.605 2.198 1.096 0.922 0.952 0.429 CB 1.561 22 residues pruned to eliminate duplicates Z: 29 19.877 2.022 0.739 0.519 0.893 0.607 CB 1.174 29 residues pruned to eliminate duplicates Z: 8 12.367 1.917 0.575 0.657 0.857 0.714 CB 1.560 7 residues pruned to eliminate duplicates Z: 20 10.670 1.931 0.083 0.363 0.947 0.526 CA 1.432 20 residues pruned to eliminate duplicates Z: 11 11.680 1.858 0.600 0.378 0.900 0.800 CA 1.572 11 residues pruned to eliminate duplicates Z: 15 12.843 1.896 0.453 0.445 0.929 0.571 N 1.421 15 residues pruned to eliminate duplicates Z: 11 5.036 1.869 0.293 0.337 0.700 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 30 19.405 1.896 0.667 0.433 0.862 0.448 CB 1.417 30 residues pruned to eliminate duplicates Z: 19 24.705 1.929 0.531 0.907 1.000 0.833 CA 1.402 19 residues pruned to eliminate duplicates Z: 54 40.197 2.145 0.714 0.529 0.925 0.698 CB 1.579 60 residues pruned to eliminate duplicates Z: 16 12.159 1.872 0.364 0.387 0.867 0.667 CB 1.599 17 residues pruned to eliminate duplicates Z: 9 9.523 1.758 0.562 0.610 1.000 0.500 CA 1.105 9 residues pruned to eliminate duplicates Z: 37 28.058 2.024 0.654 0.511 0.917 0.611 CB 1.508 38 residues pruned to eliminate duplicates Z: 21 36.915 2.280 0.677 0.934 0.950 0.750 CB 1.585 21 residues pruned to eliminate duplicates Z: 10 11.572 1.797 0.462 0.807 0.889 0.667 CA 1.264 10 residues pruned to eliminate duplicates Z: 15 7.308 1.836 0.350 0.317 0.786 0.429 CB 1.226 16 residues pruned to eliminate duplicates Z: 15 11.481 1.930 0.422 0.382 0.857 0.429 CA 1.479 18 residues pruned to eliminate duplicates Z: 27 26.861 2.169 0.761 0.452 0.962 0.769 CB 1.506 27 residues pruned to eliminate duplicates Z: 20 31.634 2.041 0.916 0.885 0.947 0.789 CA 1.414 20 residues pruned to eliminate duplicates Z: 13 12.587 1.824 0.304 0.783 0.917 0.667 CB 1.298 13 residues pruned to eliminate duplicates Z: 9 14.203 1.902 0.387 0.915 1.000 1.000 CA 1.344 9 residues pruned to eliminate duplicates Z: 20 28.315 2.029 0.776 0.903 1.000 0.842 CA 1.285 20 residues pruned to eliminate duplicates Z: 38 27.025 1.970 0.635 0.524 0.946 0.595 CA 1.424 38 residues pruned to eliminate duplicates Z: 11 13.883 1.992 0.483 0.843 1.000 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 14 16.818 2.010 0.811 0.507 0.923 0.615 CB 1.378 Z: 25 14.216 1.763 0.655 0.492 0.875 0.625 CA 1.145 25 residues pruned to eliminate duplicates Z: 11 6.987 1.882 0.252 0.495 0.900 0.500 CB 1.047 11 residues pruned to eliminate duplicates Z: 38 30.891 2.077 0.678 0.488 0.919 0.432 CB 1.605 38 residues pruned to eliminate duplicates Z: 18 9.814 2.036 0.082 0.439 0.824 0.529 CB 1.397 18 residues pruned to eliminate duplicates Z: 20 23.388 1.927 0.561 0.869 0.947 0.632 CB 1.375 20 residues pruned to eliminate duplicates Z: 28 15.387 1.938 0.587 0.344 0.815 0.481 CB 1.400 25 residues pruned to eliminate duplicates Z: 16 14.364 1.918 0.540 0.437 0.933 0.533 CB 1.436 16 residues pruned to eliminate duplicates Z: 20 19.367 1.939 0.408 0.883 1.000 0.842 CB 1.176 20 residues pruned to eliminate duplicates Z: 18 25.680 1.969 0.899 0.922 1.000 0.412 CB 1.172 18 residues pruned to eliminate duplicates Z: 14 13.360 1.705 0.588 0.833 1.000 0.769 CB 1.027 14 residues pruned to eliminate duplicates Z: 8 8.034 2.170 0.259 0.371 0.857 0.429 CB 1.489 8 residues pruned to eliminate duplicates Z: 60 43.877 2.174 0.688 0.580 0.932 0.559 CB 1.546 60 residues pruned to eliminate duplicates Z: 23 8.918 1.881 0.467 0.360 0.727 0.500 CB 1.102 10 residues pruned to eliminate duplicates Z: 16 23.066 2.090 0.606 0.882 0.933 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 10 7.182 2.083 0.539 0.337 0.667 0.444 CA 1.337 10 residues pruned to eliminate duplicates Z: 40 25.872 2.017 0.564 0.479 0.846 0.513 CB 1.585 40 residues pruned to eliminate duplicates Z: 41 37.119 2.112 0.829 0.586 0.875 0.575 CB 1.599 41 residues pruned to eliminate duplicates Z: 15 13.519 2.224 0.809 0.295 0.786 0.500 CA 1.437 15 residues pruned to eliminate duplicates Z: 19 12.496 2.008 0.423 0.398 0.778 0.611 CB 1.476 19 residues pruned to eliminate duplicates Z: 10 13.414 1.995 0.541 0.786 0.889 0.778 CA 1.273 10 residues pruned to eliminate duplicates Z: 30 25.112 2.121 0.652 0.439 0.931 0.552 CB 1.522 30 residues pruned to eliminate duplicates Z: 13 12.231 1.949 0.483 0.454 0.917 0.750 CA 1.398 14 residues pruned to eliminate duplicates Z: 7 6.718 1.627 0.078 0.847 1.000 0.833 CA 1.161 7 residues pruned to eliminate duplicates Z: 40 23.309 2.035 0.674 0.498 0.769 0.487 CA 1.427 40 residues pruned to eliminate duplicates Z: 13 12.118 1.718 0.753 0.495 0.833 0.500 CB 1.401 8 residues pruned to eliminate duplicates Z: 15 7.931 1.814 0.586 0.415 0.857 0.786 CB 0.940 Z: 49 42.877 2.212 0.564 0.658 0.979 0.646 CB 1.579 49 residues pruned to eliminate duplicates 6 1.880 1.472 0.344 0.298 0.600 0.400 CB 0.887 ? Z: 20 13.703 1.890 0.403 0.342 0.947 0.579 CB 1.487 15 residues pruned to eliminate duplicates Z: 14 11.139 1.934 0.794 0.427 0.846 0.615 CB 1.135 15 residues pruned to eliminate duplicates Z: 9 17.754 1.927 0.605 0.887 1.000 0.875 CB 1.463 9 residues pruned to eliminate duplicates Z: 30 20.288 2.025 0.729 0.453 0.931 0.552 CB 1.212 30 residues pruned to eliminate duplicates Z: 16 20.927 2.019 0.320 0.909 1.000 0.800 CA 1.440 16 residues pruned to eliminate duplicates Z: 27 21.789 2.071 0.472 0.623 0.846 0.654 CB 1.476 27 residues pruned to eliminate duplicates Z: 16 10.701 2.001 0.253 0.332 0.867 0.400 CB 1.529 16 residues pruned to eliminate duplicates Z: 10 15.702 2.042 0.578 0.905 0.889 0.778 CB 1.301 10 residues pruned to eliminate duplicates Z: 25 13.178 1.906 0.477 0.336 0.875 0.583 CB 1.307 19 residues pruned to eliminate duplicates Z: 16 15.410 2.015 0.622 0.451 0.867 0.600 CA 1.477 16 residues pruned to eliminate duplicates Z: 19 29.266 1.959 0.578 0.901 1.000 0.722 CB 1.593 19 residues pruned to eliminate duplicates Z: 15 28.173 2.103 0.883 0.923 1.000 0.714 CB 1.336 15 residues pruned to eliminate duplicates Z: 13 9.926 1.866 0.424 0.562 0.750 0.500 CB 1.355 Z: 14 14.271 1.956 0.779 0.434 0.846 0.692 CA 1.439 14 residues pruned to eliminate duplicates Z: 15 14.636 1.953 0.770 0.472 0.857 0.357 CA 1.358 15 residues pruned to eliminate duplicates Z: 33 15.741 1.981 0.453 0.360 0.812 0.562 CB 1.382 34 residues pruned to eliminate duplicates Z: 7 4.162 1.727 -0.419 0.616 1.000 0.500 O 1.518 Z: 22 24.360 1.877 0.624 0.893 0.857 0.714 CB 1.461 22 residues pruned to eliminate duplicates Z: 7 11.078 1.681 0.805 0.614 1.000 1.000 C 1.338 Z: 9 8.276 2.013 0.172 0.776 0.875 0.500 CB 1.111 9 residues pruned to eliminate duplicates Z: 20 14.544 1.869 0.428 0.401 1.000 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 9 15.950 1.857 0.620 0.757 1.000 1.000 CB 1.491 Z: 55 40.286 2.139 0.607 0.595 0.963 0.630 CB 1.512 55 residues pruned to eliminate duplicates Z: 45 32.096 2.040 0.612 0.576 0.909 0.659 CB 1.504 45 residues pruned to eliminate duplicates Z: 7 15.725 1.919 0.621 0.820 1.000 0.833 CA 1.563 Z: 10 10.623 1.909 1.025 0.447 0.778 0.667 CB 1.244 9 residues pruned to eliminate duplicates Z: 9 11.393 1.863 0.422 0.812 0.875 0.625 CA 1.325 9 residues pruned to eliminate duplicates Z: 14 9.270 1.737 0.536 0.440 0.769 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 24 14.392 1.958 0.392 0.418 0.870 0.609 CB 1.380 24 residues pruned to eliminate duplicates Z: 33 13.270 1.838 0.558 0.284 0.781 0.469 CB 1.337 33 residues pruned to eliminate duplicates Z: 16 12.876 2.027 0.427 0.492 0.800 0.467 CB 1.448 16 residues pruned to eliminate duplicates Z: 20 9.404 1.939 0.630 0.212 0.842 0.526 CB 1.138 20 residues pruned to eliminate duplicates Z: 15 9.194 1.856 0.490 0.451 0.786 0.500 CB 1.190 15 residues pruned to eliminate duplicates Z: 15 10.701 2.136 0.360 0.269 0.786 0.571 CB 1.629 15 residues pruned to eliminate duplicates Z: 22 29.966 2.166 0.423 0.871 0.952 0.905 CB 1.625 22 residues pruned to eliminate duplicates Z: 6 8.301 1.874 -0.062 0.822 1.000 1.000 N 1.598 6 residues pruned to eliminate duplicates Z: 43 35.744 2.153 0.494 0.628 1.000 0.643 CB 1.521 43 residues pruned to eliminate duplicates Z: 9 9.718 1.798 0.241 0.814 1.000 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 10 4.658 1.464 0.588 0.414 0.778 0.333 CB 0.939 10 residues pruned to eliminate duplicates Z: 22 35.452 2.206 0.833 0.893 0.857 0.476 CB 1.602 22 residues pruned to eliminate duplicates Z: 18 29.675 2.113 0.744 0.928 1.000 0.824 CA 1.368 18 residues pruned to eliminate duplicates Z: 15 8.673 1.817 0.510 0.488 0.857 0.500 CB 0.997 15 residues pruned to eliminate duplicates Z: 18 28.224 1.972 0.664 0.921 1.000 0.706 CB 1.468 18 residues pruned to eliminate duplicates Z: 8 14.178 1.949 0.926 0.443 1.000 0.571 CB 1.513 8 residues pruned to eliminate duplicates Z: 11 14.963 2.109 0.691 0.568 1.000 0.800 CB 1.243 11 residues pruned to eliminate duplicates Z: 15 10.468 1.816 0.619 0.405 0.857 0.429 CA 1.228 15 residues pruned to eliminate duplicates Z: 22 9.320 1.817 0.173 0.350 0.857 0.476 CB 1.309 22 residues pruned to eliminate duplicates Z: 15 10.434 1.863 0.455 0.443 0.857 0.571 CB 1.273 12 residues pruned to eliminate duplicates Z: 22 39.375 2.236 0.788 0.880 0.952 0.905 CB 1.635 22 residues pruned to eliminate duplicates Z: 52 41.919 2.191 0.788 0.514 0.922 0.549 CB 1.604 52 residues pruned to eliminate duplicates Z: 22 23.263 1.975 0.589 0.818 0.952 0.762 CB 1.288 22 residues pruned to eliminate duplicates Z: 8 7.310 1.850 0.276 0.586 0.857 0.571 CB 1.258 9 residues pruned to eliminate duplicates Z: 11 13.577 1.814 0.711 0.721 1.000 0.700 CA 1.133 10 residues pruned to eliminate duplicates Z: 29 17.792 1.967 0.662 0.374 0.857 0.429 CB 1.373 29 residues pruned to eliminate duplicates Z: 11 10.686 1.805 0.336 0.488 0.900 0.500 CB 1.575 11 residues pruned to eliminate duplicates Z: 8 9.683 1.827 0.694 0.464 0.857 0.714 N 1.432 Z: 8 17.357 1.971 0.719 0.887 1.000 0.571 CB 1.396 8 residues pruned to eliminate duplicates Z: 21 30.644 1.970 0.741 0.915 1.000 0.750 CA 1.412 21 residues pruned to eliminate duplicates Z: 12 6.855 1.899 0.537 0.384 0.727 0.545 CB 1.101 Z: 14 9.634 1.776 0.585 0.448 0.846 0.615 N 1.183 14 residues pruned to eliminate duplicates Z: 42 35.370 2.017 0.741 0.681 0.951 0.732 CA 1.400 42 residues pruned to eliminate duplicates Z: 22 33.919 2.207 0.445 0.882 1.000 0.857 CA 1.679 22 residues pruned to eliminate duplicates Z: 6 7.158 1.765 -0.049 0.771 1.000 0.600 CA 1.501 7 residues pruned to eliminate duplicates Z: 35 18.601 1.969 0.556 0.367 0.882 0.471 CB 1.361 34 residues pruned to eliminate duplicates Z: 10 9.771 1.886 0.435 0.738 0.889 0.556 CB 1.093 11 residues pruned to eliminate duplicates 6 1.771 1.516 -0.198 0.461 0.600 0.400 CB 1.129 ? Z: 18 28.862 2.085 0.780 0.928 0.941 0.647 CA 1.403 18 residues pruned to eliminate duplicates Z: 30 13.736 1.987 0.692 0.369 0.724 0.552 CB 1.206 22 residues pruned to eliminate duplicates Z: 28 15.671 2.031 0.480 0.339 0.852 0.519 CA 1.403 28 residues pruned to eliminate duplicates Z: 18 9.280 1.769 0.544 0.364 0.824 0.471 CB 1.159 18 residues pruned to eliminate duplicates Z: 8 3.879 1.630 0.437 0.261 0.857 0.571 CB 0.960 Z: 20 9.666 1.874 0.184 0.359 0.895 0.684 CA 1.299 20 residues pruned to eliminate duplicates Z: 25 21.753 2.120 0.494 0.518 0.958 0.667 CB 1.438 25 residues pruned to eliminate duplicates Z: 29 20.927 1.995 0.716 0.464 0.929 0.536 CB 1.290 30 residues pruned to eliminate duplicates Z: 21 15.238 2.020 0.522 0.381 0.900 0.500 CB 1.397 21 residues pruned to eliminate duplicates Z: 11 15.082 1.948 0.523 0.548 1.000 0.900 C 1.534 11 residues pruned to eliminate duplicates Z: 12 5.447 1.818 0.370 0.265 0.636 0.455 N 1.355 12 residues pruned to eliminate duplicates Z: 42 31.941 2.001 0.693 0.648 0.951 0.463 CA 1.349 42 residues pruned to eliminate duplicates Z: 27 16.599 1.998 0.737 0.437 0.923 0.538 CB 1.084 27 residues pruned to eliminate duplicates Z: 19 30.357 1.982 0.724 0.928 1.000 0.722 CB 1.466 19 residues pruned to eliminate duplicates Z: 6 2.360 1.472 0.375 0.294 0.600 0.400 CA 1.095 6 residues pruned to eliminate duplicates Z: 48 46.605 2.197 0.671 0.674 0.979 0.617 CB 1.612 48 residues pruned to eliminate duplicates Z: 20 35.994 2.234 0.607 0.939 1.000 0.895 CB 1.599 20 residues pruned to eliminate duplicates Z: 9 3.291 1.729 -0.272 0.487 0.875 0.500 CB 1.070 Z: 9 12.187 1.824 0.651 0.788 0.875 0.625 CB 1.270 9 residues pruned to eliminate duplicates Z: 10 5.769 1.708 0.269 0.539 0.889 0.556 CB 0.961 10 residues pruned to eliminate duplicates Z: 8 8.477 1.812 0.679 0.396 1.000 0.714 CB 1.175 Z: 9 14.062 1.894 0.390 0.881 1.000 0.875 CA 1.367 9 residues pruned to eliminate duplicates Z: 6 3.753 1.788 0.396 0.421 0.600 0.400 CA 1.217 6 residues pruned to eliminate duplicates Z: 18 13.328 1.828 0.513 0.446 0.941 0.588 CB 1.312 18 residues pruned to eliminate duplicates Z: 11 10.592 1.833 0.330 0.928 1.000 0.800 CB 0.963 11 residues pruned to eliminate duplicates 9 1.945 1.507 0.028 0.243 0.625 0.375 CB 0.957 ? Z: 17 28.405 2.098 0.716 0.911 0.938 0.625 CB 1.491 17 residues pruned to eliminate duplicates Z: 8 9.275 1.893 0.988 0.389 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates Z: 55 34.087 2.161 0.569 0.468 0.870 0.481 CB 1.623 55 residues pruned to eliminate duplicates Z: 22 47.582 2.239 1.005 0.909 1.000 0.429 CB 1.642 22 residues pruned to eliminate duplicates Z: 9 7.740 1.776 0.138 0.601 0.875 0.750 CA 1.406 8 residues pruned to eliminate duplicates Z: 23 24.811 1.944 0.794 0.606 0.955 0.636 CB 1.437 23 residues pruned to eliminate duplicates Z: 14 14.263 1.876 0.563 0.768 0.923 0.615 CA 1.153 14 residues pruned to eliminate duplicates Z: 8 11.028 1.729 0.552 0.880 1.000 1.000 CA 1.125 8 residues pruned to eliminate duplicates 7 1.777 1.367 0.077 0.363 0.667 0.333 C 0.857 ? Z: 13 9.097 1.941 0.254 0.440 1.000 0.417 CB 1.148 Z: 30 21.337 2.149 0.751 0.385 0.897 0.586 CB 1.327 30 residues pruned to eliminate duplicates Z: 10 12.144 1.751 0.413 0.811 0.889 0.778 CA 1.404 10 residues pruned to eliminate duplicates Z: 21 7.769 1.869 0.267 0.331 0.700 0.400 CB 1.261 21 residues pruned to eliminate duplicates Z: 15 11.506 1.924 0.654 0.445 0.929 0.571 CB 1.101 15 residues pruned to eliminate duplicates Z: 18 28.516 2.059 0.747 0.910 1.000 0.824 CB 1.364 18 residues pruned to eliminate duplicates Z: 36 28.036 2.178 0.590 0.459 0.886 0.457 CB 1.611 36 residues pruned to eliminate duplicates Z: 7 2.591 1.501 0.532 0.402 0.667 0.667 C 0.765 7 residues pruned to eliminate duplicates Z: 7 4.564 1.652 0.042 0.642 0.833 0.333 CB 1.137 Z: 10 4.226 1.778 0.199 0.442 0.778 0.556 CB 0.901 10 residues pruned to eliminate duplicates Z: 36 25.328 1.993 0.520 0.569 0.914 0.686 CB 1.445 36 residues pruned to eliminate duplicates Z: 7 4.928 1.437 0.014 0.802 1.000 0.833 O 1.061 7 residues pruned to eliminate duplicates Z: 6 5.499 1.761 -0.067 0.616 1.000 0.800 CA 1.341 6 residues pruned to eliminate duplicates Z: 11 8.177 1.720 0.470 0.409 1.000 0.500 CB 1.125 7 residues pruned to eliminate duplicates Z: 12 10.827 1.909 0.736 0.460 0.909 0.273 CB 1.128 12 residues pruned to eliminate duplicates Z: 9 13.386 1.732 0.637 0.859 1.000 0.875 CA 1.228 9 residues pruned to eliminate duplicates Z: 14 11.595 1.947 0.574 0.445 0.846 0.385 CA 1.312 12 residues pruned to eliminate duplicates Z: 31 18.202 2.005 0.653 0.440 0.833 0.500 CB 1.281 31 residues pruned to eliminate duplicates Z: 51 46.113 2.193 0.716 0.632 0.980 0.660 CB 1.562 54 residues pruned to eliminate duplicates Z: 30 13.642 1.966 0.398 0.344 0.828 0.448 CB 1.320 26 residues pruned to eliminate duplicates Z: 15 9.544 1.892 0.317 0.351 1.000 0.643 CB 1.203 15 residues pruned to eliminate duplicates Z: 17 23.220 2.010 0.774 0.873 1.000 0.625 CB 1.186 17 residues pruned to eliminate duplicates Z: 8 3.512 1.802 -0.292 0.626 0.714 0.429 CA 1.295 Z: 8 10.439 1.825 0.623 0.579 0.857 0.571 CA 1.440 8 residues pruned to eliminate duplicates Z: 7 2.430 1.559 0.296 0.249 0.667 0.500 CB 0.983 Z: 9 10.492 1.746 0.323 0.730 1.000 0.375 CA 1.307 8 residues pruned to eliminate duplicates Z: 9 6.024 1.722 0.518 0.581 1.000 0.750 CB 0.754 Z: 16 14.939 1.981 0.527 0.456 1.000 0.667 CA 1.334 12 residues pruned to eliminate duplicates Z: 11 8.063 1.786 0.348 0.643 0.900 0.700 CB 1.029 11 residues pruned to eliminate duplicates Z: 20 29.733 1.994 0.894 0.852 0.895 0.684 CA 1.493 20 residues pruned to eliminate duplicates Z: 8 4.143 1.695 0.489 0.298 0.714 0.571 CA 1.089 8 residues pruned to eliminate duplicates Z: 16 9.052 1.752 0.634 0.323 0.800 0.467 CB 1.240 9 residues pruned to eliminate duplicates Z: 32 13.900 1.878 0.526 0.325 0.742 0.419 CB 1.423 32 residues pruned to eliminate duplicates Z: 27 13.467 1.917 0.486 0.295 0.846 0.423 CB 1.378 27 residues pruned to eliminate duplicates Z: 12 8.626 2.074 0.390 0.395 0.727 0.545 CB 1.386 12 residues pruned to eliminate duplicates Z: 6 8.895 1.951 1.254 0.572 1.000 0.600 CB 0.843 6 residues pruned to eliminate duplicates Z: 9 3.168 1.625 0.209 0.342 0.875 0.750 CB 0.773 9 residues pruned to eliminate duplicates Z: 15 6.814 1.848 0.324 0.421 0.786 0.571 CB 1.028 15 residues pruned to eliminate duplicates Z: 10 4.971 1.798 0.108 0.336 0.889 0.333 CA 1.120 10 residues pruned to eliminate duplicates Z: 6 3.115 1.436 0.040 0.566 1.000 1.000 N 0.875 6 residues pruned to eliminate duplicates Z: 9 9.555 1.763 0.645 0.578 0.875 0.750 CB 1.235 9 residues pruned to eliminate duplicates Z: 10 5.172 1.738 0.113 0.606 1.000 0.778 CB 0.806 Z: 6 4.528 1.696 0.094 0.599 1.000 0.800 CB 0.992 Z: 11 7.491 2.118 0.490 0.283 0.700 0.400 CB 1.370 11 residues pruned to eliminate duplicates Z: 9 5.974 1.655 0.345 0.378 0.875 0.625 CB 1.234 9 residues pruned to eliminate duplicates Z: 12 16.270 2.034 0.648 0.854 0.818 0.727 CA 1.321 12 residues pruned to eliminate duplicates Z: 19 27.431 2.002 0.495 0.902 0.944 0.667 CB 1.631 19 residues pruned to eliminate duplicates Z: 6 6.246 1.720 0.187 0.746 0.800 0.600 CB 1.372 Z: 20 27.122 1.934 0.846 0.824 0.895 0.526 CA 1.471 20 residues pruned to eliminate duplicates Z: 21 11.922 1.882 0.227 0.402 0.950 0.650 CA 1.347 21 residues pruned to eliminate duplicates Z: 28 29.579 1.997 0.789 0.718 0.963 0.815 CB 1.359 28 residues pruned to eliminate duplicates Z: 24 14.886 1.948 0.462 0.361 0.913 0.478 CB 1.386 24 residues pruned to eliminate duplicates Z: 6 4.711 1.769 -0.426 0.819 1.000 0.800 C 1.572 6 residues pruned to eliminate duplicates Z: 12 16.314 2.198 0.427 0.475 0.909 0.727 CB 1.768 12 residues pruned to eliminate duplicates Z: 26 21.015 1.973 0.255 0.663 0.960 0.760 CB 1.520 34 residues pruned to eliminate duplicates Z: 12 8.785 1.754 0.629 0.442 0.818 0.455 CB 1.202 12 residues pruned to eliminate duplicates Z: 6 2.427 1.490 0.344 0.445 0.800 0.600 CB 0.717 Z: 8 7.524 1.720 0.466 0.704 0.857 0.857 CB 1.093 8 residues pruned to eliminate duplicates Z: 8 7.033 1.625 0.521 0.583 0.857 0.714 CB 1.159 Z: 17 11.578 2.093 0.309 0.429 0.750 0.625 CB 1.516 17 residues pruned to eliminate duplicates Z: 43 35.595 2.081 0.737 0.651 0.952 0.429 CB 1.386 43 residues pruned to eliminate duplicates Z: 60 35.588 2.099 0.607 0.560 0.932 0.576 CB 1.390 60 residues pruned to eliminate duplicates Z: 17 15.758 2.006 0.109 0.878 0.938 0.562 CB 1.371 17 residues pruned to eliminate duplicates Z: 23 10.637 1.914 0.318 0.330 0.818 0.636 CB 1.324 24 residues pruned to eliminate duplicates Z: 15 7.900 1.790 0.621 0.374 0.714 0.500 CB 1.165 15 residues pruned to eliminate duplicates Z: 9 13.182 1.979 0.651 0.525 0.875 0.500 CA 1.590 9 residues pruned to eliminate duplicates Z: 24 14.934 1.953 0.594 0.433 0.957 0.609 CB 1.121 24 residues pruned to eliminate duplicates Z: 7 4.330 1.660 0.016 0.528 0.833 0.500 CA 1.224 Z: 6 7.372 1.835 0.040 0.776 1.000 0.600 CA 1.354 Z: 29 18.388 2.003 0.735 0.436 0.821 0.464 CB 1.300 29 residues pruned to eliminate duplicates Z: 19 21.501 1.920 0.416 0.857 0.944 0.833 CB 1.454 19 residues pruned to eliminate duplicates Z: 10 11.232 1.932 0.141 0.868 1.000 0.778 CA 1.242 10 residues pruned to eliminate duplicates Z: 22 33.651 2.194 0.777 0.880 0.905 0.524 CB 1.508 22 residues pruned to eliminate duplicates Z: 29 19.875 2.013 0.593 0.512 0.929 0.571 CB 1.247 29 residues pruned to eliminate duplicates Z: 17 12.090 1.961 0.358 0.564 0.812 0.625 CA 1.313 17 residues pruned to eliminate duplicates Z: 13 7.259 1.599 0.673 0.287 0.833 0.333 N 1.195 13 residues pruned to eliminate duplicates Z: 8 8.754 1.856 0.217 0.560 0.857 0.714 CB 1.612 7 residues pruned to eliminate duplicates Z: 21 48.280 2.319 1.103 0.943 0.950 0.750 CB 1.616 21 residues pruned to eliminate duplicates Z: 11 14.812 1.811 0.357 0.873 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 10 6.656 1.713 0.760 0.304 0.889 0.778 CA 1.030 10 residues pruned to eliminate duplicates Z: 7 2.901 1.605 0.336 0.358 0.667 0.500 N 0.966 7 residues pruned to eliminate duplicates Z: 6 5.498 1.779 0.535 0.485 0.800 0.800 CB 1.143 6 residues pruned to eliminate duplicates Z: 17 11.242 1.819 0.386 0.350 1.000 0.438 CB 1.312 16 residues pruned to eliminate duplicates Z: 17 6.428 1.657 0.552 0.296 0.750 0.500 CA 1.047 17 residues pruned to eliminate duplicates Z: 6 4.568 1.496 0.502 0.611 0.800 0.600 CB 1.022 Z: 8 2.919 1.563 0.587 0.318 0.571 0.429 CA 0.952 Z: 22 11.813 1.868 0.502 0.315 0.905 0.524 CB 1.246 22 residues pruned to eliminate duplicates Z: 23 11.352 1.911 0.520 0.334 0.818 0.545 CB 1.221 24 residues pruned to eliminate duplicates Z: 21 34.692 2.144 0.744 0.919 0.950 0.800 CB 1.539 21 residues pruned to eliminate duplicates Z: 8 4.997 1.699 0.596 0.457 0.571 0.429 CB 1.273 Z: 23 12.162 1.892 0.490 0.355 0.818 0.682 CB 1.315 23 residues pruned to eliminate duplicates Z: 6 2.473 1.651 -0.315 0.518 0.800 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 11 7.602 1.680 0.690 0.424 0.800 0.600 CA 1.146 11 residues pruned to eliminate duplicates Z: 21 32.377 2.011 0.877 0.897 1.000 0.850 CA 1.372 21 residues pruned to eliminate duplicates Z: 6 2.207 1.385 -0.047 0.401 0.800 0.400 O 1.038 Z: 6 3.742 1.735 -0.200 0.614 0.800 0.600 CB 1.353 8 residues pruned to eliminate duplicates Z: 13 11.152 2.004 0.406 0.515 0.917 0.667 CB 1.228 15 residues pruned to eliminate duplicates Z: 7 5.354 1.745 -0.177 0.541 1.000 0.500 O 1.462 7 residues pruned to eliminate duplicates Z: 10 9.453 1.783 0.632 0.846 0.889 0.667 CB 0.905 10 residues pruned to eliminate duplicates Z: 7 3.746 1.274 0.503 0.661 0.833 0.333 CB 0.826 Z: 18 24.172 2.098 0.673 0.926 0.941 0.941 CA 1.245 18 residues pruned to eliminate duplicates Z: 6 3.106 1.314 0.378 0.795 0.800 0.600 N 0.740 Z: 7 6.685 1.746 0.002 0.673 1.000 0.500 CA 1.330 Z: 14 11.610 1.979 0.579 0.438 0.846 0.385 CA 1.298 14 residues pruned to eliminate duplicates Z: 7 3.775 1.671 0.482 0.364 0.667 0.500 CB 1.081 8 residues pruned to eliminate duplicates Z: 6 2.351 1.424 0.491 0.295 0.800 0.600 CA 0.779 Z: 6 2.877 1.465 0.371 0.628 0.800 0.600 CA 0.710 Z: 8 8.603 1.885 0.474 0.499 0.857 0.571 CB 1.367 8 residues pruned to eliminate duplicates Z: 6 6.759 1.969 0.509 0.520 0.800 0.600 CB 1.247 6 residues pruned to eliminate duplicates Z: 6 4.152 1.683 0.405 0.412 1.000 0.400 CB 0.861 6 residues pruned to eliminate duplicates Z: 39 39.314 2.099 0.667 0.647 0.974 0.684 CA 1.632 12 residues pruned to eliminate duplicates Z: 17 13.755 1.886 0.477 0.308 0.938 0.500 CB 1.630 19 residues pruned to eliminate duplicates 7 1.657 1.510 -0.102 0.538 0.833 0.500 CB 0.576 ? Z: 19 28.661 2.011 0.627 0.910 0.944 0.611 CB 1.550 18 residues pruned to eliminate duplicates Z: 14 17.193 2.096 0.421 0.554 0.923 0.769 CB 1.646 14 residues pruned to eliminate duplicates Z: 7 6.913 1.713 0.598 0.637 1.000 0.833 CB 0.906 7 residues pruned to eliminate duplicates Z: 18 11.423 1.807 0.442 0.449 0.882 0.588 CB 1.269 19 residues pruned to eliminate duplicates Z: 7 2.330 1.637 -0.321 0.653 0.833 0.667 CB 0.892 Z: 19 26.614 1.944 0.804 0.883 0.889 0.500 CB 1.455 18 residues pruned to eliminate duplicates Z: 9 6.526 1.532 0.506 0.480 0.875 0.500 CA 1.167 6 residues pruned to eliminate duplicates Z: 7 4.148 1.296 0.058 0.694 1.000 1.000 CA 1.034 7 residues pruned to eliminate duplicates Z: 25 19.067 1.985 0.736 0.498 0.958 0.625 CB 1.181 25 residues pruned to eliminate duplicates Z: 8 7.713 1.925 0.441 0.374 0.857 0.714 CB 1.403 6 residues pruned to eliminate duplicates Z: 33 23.223 2.152 0.616 0.367 0.938 0.594 CB 1.453 33 residues pruned to eliminate duplicates Z: 7 4.247 1.540 0.400 0.552 0.833 0.667 N 0.917 Z: 43 22.612 1.945 0.648 0.408 0.905 0.452 CB 1.325 35 residues pruned to eliminate duplicates Z: 21 18.733 2.065 0.505 0.540 0.850 0.750 CB 1.524 21 residues pruned to eliminate duplicates Z: 9 15.397 2.111 0.628 0.861 0.875 0.375 CA 1.330 9 residues pruned to eliminate duplicates Z: 29 15.949 2.011 0.529 0.373 0.893 0.571 CB 1.257 29 residues pruned to eliminate duplicates Z: 13 6.044 1.628 0.430 0.475 0.833 0.667 CB 0.923 Z: 8 4.308 1.552 0.091 0.491 0.857 0.429 CA 1.131 6 residues pruned to eliminate duplicates Z: 39 32.882 2.200 0.462 0.584 0.974 0.579 CB 1.571 39 residues pruned to eliminate duplicates Z: 12 14.840 1.941 0.393 0.706 1.000 0.636 CB 1.372 12 residues pruned to eliminate duplicates Z: 14 3.431 1.402 0.376 0.228 0.692 0.385 CB 0.978 Z: 9 5.408 1.580 0.317 0.476 0.875 0.750 N 1.076 Z: 19 24.166 2.190 0.668 0.562 0.944 0.667 CB 1.555 19 residues pruned to eliminate duplicates Z: 8 12.889 1.793 0.623 0.560 1.000 0.714 CB 1.579 8 residues pruned to eliminate duplicates Z: 7 3.814 1.432 -0.207 0.776 1.000 0.667 O 1.075 5 residues pruned to eliminate duplicates Z: 10 10.296 1.902 0.234 0.612 1.000 0.444 CB 1.315 9 residues pruned to eliminate duplicates Z: 19 8.843 1.831 0.289 0.329 0.889 0.556 CB 1.199 19 residues pruned to eliminate duplicates Z: 9 4.023 1.710 -0.071 0.387 0.875 0.500 CA 1.154 Z: 26 17.587 1.957 0.540 0.368 0.920 0.640 CB 1.462 38 residues pruned to eliminate duplicates Z: 13 8.090 1.873 0.608 0.228 0.833 0.500 CB 1.277 13 residues pruned to eliminate duplicates Z: 12 4.523 1.801 0.046 0.363 0.727 0.364 CB 1.154 12 residues pruned to eliminate duplicates Z: 7 2.343 1.612 0.174 0.409 0.667 0.667 CA 0.834 6 residues pruned to eliminate duplicates Z: 21 19.601 2.051 0.768 0.418 0.900 0.350 CA 1.463 21 residues pruned to eliminate duplicates Z: 12 8.501 2.126 0.589 0.252 0.818 0.364 CB 1.233 12 residues pruned to eliminate duplicates Z: 7 4.414 1.445 0.204 0.701 1.000 0.833 CB 0.862 7 residues pruned to eliminate duplicates Z: 11 8.572 1.660 0.455 0.492 0.800 0.600 CA 1.414 10 residues pruned to eliminate duplicates Z: 20 11.434 1.863 0.693 0.324 0.737 0.474 CB 1.369 20 residues pruned to eliminate duplicates Z: 16 17.456 1.887 0.746 0.870 0.933 0.600 CB 1.070 16 residues pruned to eliminate duplicates Z: 17 22.600 2.174 0.562 0.597 0.938 0.562 CB 1.617 17 residues pruned to eliminate duplicates Z: 10 6.254 1.868 0.389 0.402 1.000 0.667 CB 0.891 10 residues pruned to eliminate duplicates Z: 31 15.805 2.011 0.445 0.448 0.767 0.533 CB 1.367 31 residues pruned to eliminate duplicates Z: 31 20.513 2.038 0.655 0.512 0.900 0.700 CB 1.219 31 residues pruned to eliminate duplicates Z: 7 5.591 1.620 0.559 0.486 0.833 0.667 N 1.100 Z: 8 12.380 1.918 0.459 0.858 1.000 0.429 CA 1.231 8 residues pruned to eliminate duplicates Z: 20 25.110 1.985 0.770 0.922 1.000 0.737 CB 1.153 20 residues pruned to eliminate duplicates Z: 15 11.142 2.144 0.400 0.300 0.786 0.429 CB 1.578 15 residues pruned to eliminate duplicates Z: 10 10.731 1.625 0.361 0.874 1.000 0.778 CA 1.177 8 residues pruned to eliminate duplicates Z: 17 12.175 1.980 0.695 0.389 0.812 0.500 CB 1.256 17 residues pruned to eliminate duplicates Z: 15 11.002 1.872 0.237 0.439 1.000 0.786 CB 1.352 21 residues pruned to eliminate duplicates Z: 14 10.559 2.040 0.308 0.346 0.846 0.615 CB 1.532 14 residues pruned to eliminate duplicates Z: 21 28.857 1.968 0.844 0.903 0.850 0.450 CB 1.491 21 residues pruned to eliminate duplicates Z: 7 6.001 1.559 0.834 0.557 0.833 0.833 N 0.972 5 residues pruned to eliminate duplicates Z: 14 7.716 1.632 0.417 0.460 0.846 0.154 CB 1.139 14 residues pruned to eliminate duplicates Z: 36 39.598 2.181 0.702 0.689 0.971 0.629 CB 1.561 36 residues pruned to eliminate duplicates Z: 23 13.406 1.945 0.396 0.351 0.818 0.500 CB 1.512 23 residues pruned to eliminate duplicates Z: 23 16.615 2.032 0.438 0.502 0.864 0.636 CA 1.401 23 residues pruned to eliminate duplicates Z: 17 12.885 1.776 0.388 0.566 0.938 0.625 CB 1.308 17 residues pruned to eliminate duplicates Z: 34 15.739 1.888 0.551 0.303 0.818 0.455 CB 1.423 29 residues pruned to eliminate duplicates Z: 55 41.175 2.117 0.741 0.563 0.926 0.463 CB 1.545 54 residues pruned to eliminate duplicates Z: 10 4.496 1.891 0.356 0.392 0.778 0.444 CB 0.842 10 residues pruned to eliminate duplicates Z: 19 26.284 1.962 0.545 0.907 1.000 0.556 CB 1.453 19 residues pruned to eliminate duplicates Z: 6 4.674 1.357 0.490 0.581 1.000 0.800 CA 0.956 Z: 17 26.404 2.038 0.763 0.906 1.000 0.938 CB 1.306 17 residues pruned to eliminate duplicates Z: 7 8.684 1.744 0.489 0.659 1.000 0.833 CB 1.178 7 residues pruned to eliminate duplicates Z: 24 11.735 1.825 0.619 0.309 0.783 0.522 CB 1.308 24 residues pruned to eliminate duplicates Z: 6 4.511 1.699 0.035 0.649 1.000 0.800 CB 0.998 7 residues pruned to eliminate duplicates Z: 45 38.032 1.947 0.745 0.635 0.955 0.591 CB 1.558 46 residues pruned to eliminate duplicates Z: 7 3.255 1.625 0.352 0.361 0.667 0.500 CB 1.053 Z: 19 16.881 1.936 0.573 0.587 0.833 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 16 19.542 2.028 0.447 0.876 1.000 0.733 CB 1.249 16 residues pruned to eliminate duplicates Z: 6 5.450 1.857 0.297 0.470 0.800 0.800 CB 1.304 6 residues pruned to eliminate duplicates Z: 11 10.581 1.789 0.574 0.455 0.900 0.600 N 1.382 11 residues pruned to eliminate duplicates Z: 17 17.911 1.910 0.555 0.865 1.000 0.625 CB 1.105 17 residues pruned to eliminate duplicates Z: 10 5.177 1.721 0.261 0.504 1.000 0.333 CB 0.792 Z: 27 16.180 1.998 0.633 0.410 0.808 0.423 CA 1.323 27 residues pruned to eliminate duplicates Z: 12 7.419 2.063 0.246 0.390 0.909 0.545 CA 1.076 12 residues pruned to eliminate duplicates Z: 9 4.221 1.445 0.423 0.406 0.750 0.500 CB 1.068 Z: 6 2.976 1.600 0.560 0.236 0.600 0.200 N 1.207 6 residues pruned to eliminate duplicates Z: 8 12.483 1.840 0.742 0.855 0.857 0.429 N 1.268 8 residues pruned to eliminate duplicates Z: 10 4.180 1.577 0.124 0.266 0.778 0.556 O 1.320 5 residues pruned to eliminate duplicates Z: 8 6.324 1.805 0.018 0.516 1.000 0.714 CA 1.280 8 residues pruned to eliminate duplicates Z: 9 11.369 1.779 0.249 0.868 1.000 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 59 39.627 2.132 0.604 0.571 0.966 0.621 CB 1.471 59 residues pruned to eliminate duplicates Z: 7 10.268 1.830 0.852 0.538 0.833 0.667 CB 1.430 7 residues pruned to eliminate duplicates Z: 6 2.775 1.519 0.537 0.293 0.600 0.400 CB 1.118 Z: 22 42.405 2.232 0.967 0.920 0.905 0.571 CB 1.641 22 residues pruned to eliminate duplicates Z: 19 12.656 1.945 0.523 0.366 0.889 0.611 CA 1.309 19 residues pruned to eliminate duplicates Z: 66 42.274 2.143 0.664 0.555 0.938 0.569 CB 1.485 66 residues pruned to eliminate duplicates Z: 6 6.448 1.342 0.602 0.786 1.000 0.800 CB 1.043 6 residues pruned to eliminate duplicates Z: 7 5.719 1.810 0.323 0.561 1.000 0.833 CA 0.919 7 residues pruned to eliminate duplicates Z: 7 3.342 1.504 0.529 0.607 0.667 0.500 CB 0.804 Z: 7 5.928 1.636 0.497 0.347 0.833 0.500 CA 1.400 8 residues pruned to eliminate duplicates Z: 11 7.323 1.779 0.295 0.429 0.800 0.600 CB 1.353 11 residues pruned to eliminate duplicates Z: 8 7.916 1.625 0.760 0.554 0.714 0.714 C 1.389 7 residues pruned to eliminate duplicates Z: 52 29.972 1.916 0.682 0.545 0.882 0.510 CB 1.412 52 residues pruned to eliminate duplicates 7 1.864 1.414 0.419 0.258 0.667 0.667 N 0.750 ? Z: 26 29.259 2.036 0.517 0.733 0.960 0.840 CB 1.600 26 residues pruned to eliminate duplicates Z: 19 11.866 1.780 0.574 0.466 0.889 0.611 CB 1.163 19 residues pruned to eliminate duplicates Z: 9 5.208 1.460 0.336 0.450 0.875 0.625 CA 1.136 9 residues pruned to eliminate duplicates Z: 9 8.956 1.713 0.519 0.884 0.875 0.875 CA 1.005 9 residues pruned to eliminate duplicates Z: 11 5.377 1.571 0.466 0.314 0.900 0.600 CA 1.007 Z: 20 13.839 2.033 0.369 0.400 0.842 0.632 CA 1.505 12 residues pruned to eliminate duplicates Z: 23 17.419 2.000 0.394 0.412 0.909 0.409 CA 1.606 23 residues pruned to eliminate duplicates Z: 14 7.948 1.768 0.428 0.304 0.846 0.308 CB 1.283 14 residues pruned to eliminate duplicates Z: 34 21.295 1.860 0.648 0.457 0.939 0.545 CB 1.345 33 residues pruned to eliminate duplicates Z: 24 15.601 1.866 0.473 0.493 0.913 0.652 CA 1.305 24 residues pruned to eliminate duplicates Z: 10 5.771 1.551 0.553 0.498 0.889 0.667 CB 0.900 11 residues pruned to eliminate duplicates Z: 8 4.820 1.434 0.388 0.629 0.714 0.571 CA 1.135 8 residues pruned to eliminate duplicates Z: 12 10.074 1.744 0.388 0.360 1.000 0.636 C 1.459 13 residues pruned to eliminate duplicates Z: 46 33.830 2.176 0.455 0.634 0.978 0.667 CB 1.437 46 residues pruned to eliminate duplicates Z: 7 5.221 1.551 0.159 0.642 1.000 0.667 CB 1.039 Z: 8 3.544 1.386 0.726 0.459 1.000 0.429 CB 0.584 5 residues pruned to eliminate duplicates Z: 21 20.456 1.927 0.411 0.844 1.000 0.750 CA 1.251 21 residues pruned to eliminate duplicates Z: 11 17.345 1.877 0.469 0.899 1.000 0.900 CB 1.422 12 residues pruned to eliminate duplicates Z: 46 29.729 2.113 0.472 0.505 1.000 0.511 CB 1.418 46 residues pruned to eliminate duplicates Z: 15 5.769 1.648 0.265 0.347 1.000 0.786 CB 0.873 11 residues pruned to eliminate duplicates Z: 18 24.618 1.919 0.445 0.898 1.000 0.765 CB 1.540 18 residues pruned to eliminate duplicates Z: 10 3.942 1.517 -0.048 0.396 0.889 0.667 C 1.143 Z: 18 10.138 1.799 0.417 0.442 0.765 0.353 CB 1.340 18 residues pruned to eliminate duplicates Z: 9 2.236 1.489 0.133 0.183 0.750 0.250 CA 0.914 Z: 8 5.131 1.624 0.372 0.453 0.714 0.571 CA 1.279 Z: 23 18.981 1.944 0.678 0.437 0.955 0.682 CB 1.388 23 residues pruned to eliminate duplicates Z: 12 10.271 1.964 0.540 0.291 0.909 0.636 CA 1.423 12 residues pruned to eliminate duplicates Z: 19 14.268 1.899 0.837 0.285 0.833 0.389 CA 1.474 19 residues pruned to eliminate duplicates Z: 20 14.342 1.885 0.564 0.355 0.895 0.579 CB 1.459 20 residues pruned to eliminate duplicates Z: 6 3.638 1.255 0.846 0.470 0.800 0.400 CA 0.904 Z: 16 11.449 1.817 0.345 0.477 0.800 0.667 CB 1.547 16 residues pruned to eliminate duplicates 6 1.701 1.439 0.117 0.497 0.800 0.600 CB 0.593 ? Z: 13 10.738 2.013 0.710 0.220 0.833 0.250 CB 1.500 14 residues pruned to eliminate duplicates Z: 18 23.357 2.002 0.477 0.900 0.941 0.471 CB 1.454 18 residues pruned to eliminate duplicates Z: 6 2.454 1.450 0.303 0.310 0.800 0.600 CB 0.897 Z: 8 4.857 1.658 0.277 0.331 0.857 0.714 CA 1.217 8 residues pruned to eliminate duplicates Z: 12 6.243 1.825 0.198 0.316 0.909 0.545 CA 1.161 12 residues pruned to eliminate duplicates Z: 8 5.006 1.772 0.359 0.349 0.857 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 11 6.752 1.722 0.341 0.513 1.000 0.900 CA 0.913 11 residues pruned to eliminate duplicates 8 1.805 1.417 0.531 0.201 0.571 0.429 CB 0.785 ? Z: 7 2.849 1.494 0.559 0.358 0.833 0.667 CB 0.698 Z: 24 13.214 1.894 0.445 0.382 0.913 0.609 CB 1.249 24 residues pruned to eliminate duplicates Z: 11 6.247 1.766 -0.009 0.487 0.900 0.600 CB 1.271 11 residues pruned to eliminate duplicates Z: 8 3.781 1.614 0.203 0.232 1.000 0.429 CA 1.006 Z: 7 2.168 1.366 0.358 0.246 0.833 0.333 CB 0.768 Z: 15 6.453 1.749 0.282 0.295 0.786 0.429 CA 1.232 15 residues pruned to eliminate duplicates Z: 13 16.812 1.992 0.660 0.656 0.833 0.333 CA 1.524 13 residues pruned to eliminate duplicates Z: 7 7.532 1.651 0.654 0.807 1.000 0.667 CA 0.861 Z: 33 26.316 2.044 0.645 0.470 0.875 0.594 CA 1.630 33 residues pruned to eliminate duplicates Z: 7 3.784 1.562 0.258 0.473 0.833 0.333 N 0.970 Z: 16 15.761 2.096 0.610 0.428 0.867 0.667 CB 1.499 16 residues pruned to eliminate duplicates Z: 8 4.051 1.631 0.351 0.334 0.857 0.571 CB 0.972 8 residues pruned to eliminate duplicates Z: 9 2.741 1.397 0.379 0.291 0.750 0.250 N 0.848 Z: 21 41.161 2.165 0.900 0.919 1.000 0.750 CB 1.577 21 residues pruned to eliminate duplicates Z: 13 14.472 1.828 0.365 0.808 1.000 0.750 CA 1.281 13 residues pruned to eliminate duplicates Z: 6 5.037 1.934 0.125 0.381 0.800 0.600 CB 1.468 6 residues pruned to eliminate duplicates Z: 26 26.052 2.031 0.494 0.726 0.920 0.840 CB 1.522 26 residues pruned to eliminate duplicates Z: 8 5.259 1.665 0.434 0.467 0.857 0.429 CA 1.005 7 residues pruned to eliminate duplicates Z: 13 13.082 1.964 0.524 0.494 0.917 0.500 CB 1.384 12 residues pruned to eliminate duplicates Z: 17 26.196 1.988 0.754 0.887 0.938 0.375 CB 1.445 17 residues pruned to eliminate duplicates Z: 9 11.164 1.741 0.312 0.765 1.000 0.625 O 1.365 9 residues pruned to eliminate duplicates Z: 7 9.981 1.857 0.522 0.611 0.833 0.667 CA 1.557 7 residues pruned to eliminate duplicates Z: 30 12.680 1.981 0.724 0.329 0.724 0.448 CB 1.149 30 residues pruned to eliminate duplicates Z: 17 11.255 1.815 0.473 0.536 0.938 0.562 CB 1.083 17 residues pruned to eliminate duplicates Z: 9 4.935 1.390 0.312 0.572 0.875 0.625 O 1.020 Z: 11 4.074 1.398 0.340 0.375 0.800 0.400 C 0.983 Z: 8 3.726 1.548 0.109 0.407 0.857 0.286 CB 1.054 4 residues pruned to eliminate duplicates Z: 8 3.575 1.627 0.182 0.363 0.714 0.429 CB 1.140 6 1.525 1.394 0.172 0.199 0.600 0.200 O 0.996 ? Z: 10 11.052 2.044 0.192 0.479 1.000 0.444 CA 1.544 18 residues pruned to eliminate duplicates Z: 7 2.597 1.087 0.654 0.349 0.833 0.500 N 0.833 Z: 7 4.972 1.504 0.480 0.658 0.833 0.833 CA 0.946 7 residues pruned to eliminate duplicates Z: 8 4.554 1.492 0.435 0.374 0.857 0.286 CB 1.073 Z: 12 11.597 1.959 0.419 0.603 0.818 0.545 CB 1.393 12 residues pruned to eliminate duplicates Z: 6 9.465 1.845 0.879 0.400 1.000 0.600 CB 1.357 6 residues pruned to eliminate duplicates Z: 8 2.095 1.646 0.440 0.277 0.857 0.429 CB 0.502 Z: 6 2.192 1.392 0.086 0.409 0.800 0.600 O 0.892 Z: 21 25.672 1.917 0.600 0.889 0.950 0.600 CB 1.419 20 residues pruned to eliminate duplicates Z: 8 3.115 1.527 0.174 0.373 0.714 0.429 CB 1.052 Z: 9 2.928 1.255 0.442 0.372 0.875 0.375 CB 0.750 Z: 9 8.882 1.690 0.604 0.714 0.875 0.875 CA 1.090 9 residues pruned to eliminate duplicates Z: 7 3.414 1.506 0.196 0.447 1.000 1.000 CB 0.817 7 residues pruned to eliminate duplicates Z: 24 19.487 1.977 0.509 0.521 0.913 0.696 CB 1.461 24 residues pruned to eliminate duplicates Z: 55 36.953 2.162 0.646 0.569 0.889 0.556 CB 1.487 55 residues pruned to eliminate duplicates Z: 8 2.866 1.292 0.304 0.290 0.857 0.714 CB 0.949 6 0.859 1.272 0.060 0.312 0.800 0.400 CB 0.439 ? Z: 6 7.237 1.519 0.976 0.574 0.800 0.600 CB 1.255 Z: 10 6.328 1.671 0.450 0.579 0.778 0.333 CB 1.037 10 residues pruned to eliminate duplicates Z: 17 12.730 2.019 0.292 0.332 0.875 0.438 CB 1.677 17 residues pruned to eliminate duplicates Z: 31 17.866 1.955 0.474 0.405 0.933 0.600 CB 1.340 31 residues pruned to eliminate duplicates Z: 8 6.848 1.712 0.477 0.449 1.000 0.857 CB 1.078 8 residues pruned to eliminate duplicates Z: 21 14.081 1.854 0.471 0.369 0.900 0.550 CB 1.477 20 residues pruned to eliminate duplicates Z: 6 4.335 1.195 0.695 0.721 1.000 0.600 N 0.784 Z: 7 5.588 1.679 -0.007 0.713 0.833 0.833 CB 1.354 7 residues pruned to eliminate duplicates Z: 9 4.479 1.747 -0.060 0.378 0.875 0.750 CB 1.255 9 residues pruned to eliminate duplicates 6 1.183 1.318 -0.166 0.423 0.600 0.600 CB 0.870 ? Z: 41 13.035 1.920 0.305 0.291 0.800 0.550 CB 1.301 41 residues pruned to eliminate duplicates Z: 19 35.699 2.037 1.103 0.872 1.000 0.556 CA 1.431 19 residues pruned to eliminate duplicates Z: 6 3.105 1.531 0.089 0.436 0.800 0.600 CB 1.112 6 1.230 1.520 0.409 0.100 0.400 0.200 CB 1.070 ? Z: 10 5.845 1.459 0.221 0.472 1.000 0.444 CB 1.126 4 residues pruned to eliminate duplicates Z: 19 15.662 1.877 0.845 0.531 0.889 0.722 CB 1.163 19 residues pruned to eliminate duplicates Z: 20 13.271 1.880 0.264 0.443 1.000 0.474 CA 1.358 20 residues pruned to eliminate duplicates Z: 20 11.471 1.879 0.323 0.350 0.895 0.579 CA 1.392 20 residues pruned to eliminate duplicates Z: 8 2.771 1.481 0.162 0.327 0.714 0.429 CB 1.030 Z: 52 19.153 1.826 0.585 0.393 0.843 0.549 CB 1.230 57 residues pruned to eliminate duplicates Z: 10 4.305 1.423 0.533 0.378 0.667 0.556 CA 1.124 6 residues pruned to eliminate duplicates Z: 7 4.030 1.119 0.907 0.457 1.000 0.500 CA 0.805 Z: 15 12.497 2.097 0.270 0.400 1.000 0.571 CA 1.393 15 residues pruned to eliminate duplicates Z: 14 6.372 1.598 0.330 0.388 1.000 0.538 CB 0.936 14 residues pruned to eliminate duplicates Z: 10 3.419 1.448 0.584 0.299 0.667 0.444 CB 0.934 5 residues pruned to eliminate duplicates Z: 22 12.254 1.928 0.423 0.337 0.857 0.571 CA 1.358 22 residues pruned to eliminate duplicates Z: 19 30.227 2.116 0.750 0.905 1.000 0.722 CA 1.369 19 residues pruned to eliminate duplicates Z: 46 34.381 2.143 0.577 0.620 0.978 0.667 CB 1.385 46 residues pruned to eliminate duplicates Z: 13 5.992 1.604 0.206 0.534 1.000 0.750 CB 0.865 13 residues pruned to eliminate duplicates 6 1.885 1.313 0.281 0.397 0.800 0.600 CB 0.698 ? Z: 7 7.287 2.113 0.807 0.256 0.667 0.667 CB 1.545 7 residues pruned to eliminate duplicates Z: 25 12.345 2.101 0.632 0.205 0.708 0.333 CA 1.471 25 residues pruned to eliminate duplicates Z: 7 3.381 1.491 0.533 0.202 0.833 0.167 CB 1.032 Z: 11 10.023 1.837 0.421 0.644 0.800 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 26 19.510 1.913 0.631 0.479 0.880 0.480 CA 1.451 26 residues pruned to eliminate duplicates Z: 17 8.610 1.777 0.297 0.455 0.812 0.438 CA 1.203 17 residues pruned to eliminate duplicates Z: 12 3.431 1.542 0.295 0.216 0.909 0.545 CA 0.796 12 residues pruned to eliminate duplicates 8 1.913 1.216 0.481 0.386 0.714 0.571 CB 0.634 ? Z: 16 7.887 1.550 0.672 0.533 0.800 0.333 CB 0.951 16 residues pruned to eliminate duplicates Z: 18 6.638 1.471 0.409 0.414 0.941 0.412 CB 0.903 Z: 7 3.809 1.318 0.500 0.474 1.000 0.500 CB 0.807 Z: 24 13.963 1.952 0.404 0.335 0.870 0.478 CA 1.463 24 residues pruned to eliminate duplicates 8 1.900 1.418 -0.031 0.369 0.714 0.429 CB 0.842 ? Z: 9 5.000 1.576 0.436 0.525 0.875 0.625 CB 0.871 9 residues pruned to eliminate duplicates Z: 24 15.202 1.927 0.358 0.410 0.913 0.609 CB 1.457 24 residues pruned to eliminate duplicates Z: 7 3.933 1.432 0.636 0.434 0.833 0.500 CB 0.880 Z: 12 10.106 1.861 0.531 0.576 0.818 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 9 4.268 1.423 0.292 0.271 0.875 0.750 CB 1.217 Z: 9 6.488 1.680 0.572 0.408 0.750 0.625 CB 1.276 9 residues pruned to eliminate duplicates Z: 14 5.161 1.478 0.681 0.397 0.615 0.385 CB 1.044 Z: 53 41.249 2.169 0.614 0.611 0.981 0.577 CB 1.499 53 residues pruned to eliminate duplicates Z: 6 3.030 1.622 0.290 0.388 0.800 0.600 CB 0.912 Z: 10 6.766 1.515 0.557 0.508 0.778 0.667 C 1.219 10 residues pruned to eliminate duplicates Z: 8 5.213 1.568 -0.006 0.467 1.000 0.571 CA 1.307 8 residues pruned to eliminate duplicates Z: 63 31.781 1.845 0.845 0.573 0.903 0.484 CB 1.224 63 residues pruned to eliminate duplicates Z: 11 12.919 1.889 0.386 0.674 1.000 0.700 CB 1.329 11 residues pruned to eliminate duplicates Z: 16 19.658 2.069 0.453 0.594 0.933 0.867 CA 1.653 16 residues pruned to eliminate duplicates Z: 18 13.059 1.882 0.630 0.376 0.941 0.529 CB 1.252 18 residues pruned to eliminate duplicates Z: 16 27.285 2.131 0.699 0.852 0.933 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 9 13.488 1.812 0.894 0.884 0.875 0.750 CB 1.147 Z: 8 3.362 1.457 0.428 0.403 0.714 0.286 CA 0.947 8 residues pruned to eliminate duplicates Z: 14 5.822 1.794 0.260 0.437 0.769 0.538 CA 0.991 14 residues pruned to eliminate duplicates Z: 7 5.623 1.797 0.283 0.557 1.000 0.833 CB 0.942 Z: 20 28.791 1.970 0.947 0.941 0.947 0.526 CB 1.261 20 residues pruned to eliminate duplicates Z: 9 5.867 1.631 0.475 0.563 0.875 0.625 CB 0.927 16 residues pruned to eliminate duplicates 7 1.458 1.155 -0.051 0.437 0.833 0.500 O 0.696 ? Z: 8 2.970 1.602 0.208 0.371 0.571 0.429 CA 1.165 Z: 22 16.506 1.731 0.667 0.483 0.952 0.667 CA 1.334 22 residues pruned to eliminate duplicates Z: 8 6.439 1.444 0.402 0.616 1.000 0.714 CA 1.078 Z: 7 4.496 1.835 0.054 0.400 1.000 0.500 CB 1.054 Z: 6 2.425 1.378 0.122 0.495 0.800 0.600 CA 0.881 Z: 16 7.809 1.770 0.302 0.375 0.867 0.533 CA 1.154 16 residues pruned to eliminate duplicates Z: 19 9.123 1.918 0.559 0.292 0.778 0.500 CA 1.167 19 residues pruned to eliminate duplicates Z: 7 6.632 1.622 0.436 0.456 1.000 0.500 O 1.216 8 residues pruned to eliminate duplicates Z: 9 4.400 1.600 0.178 0.421 0.750 0.500 CA 1.194 9 residues pruned to eliminate duplicates Z: 24 11.174 1.851 0.357 0.341 0.826 0.522 CB 1.336 24 residues pruned to eliminate duplicates Z: 9 4.438 1.782 0.452 0.393 0.625 0.125 CA 1.087 9 residues pruned to eliminate duplicates 6 0.834 1.085 -0.079 0.300 1.000 0.400 CB 0.467 ? Z: 22 9.434 1.688 0.214 0.379 0.952 0.571 CB 1.200 22 residues pruned to eliminate duplicates Z: 6 4.351 1.491 0.264 0.453 1.000 0.400 N 1.083 6 1.095 1.315 0.520 0.274 0.600 0.200 CB 0.528 ? Z: 8 8.281 1.779 0.796 0.391 1.000 0.429 CB 1.099 6 residues pruned to eliminate duplicates Z: 7 5.300 1.705 0.344 0.386 0.833 0.833 CB 1.279 7 residues pruned to eliminate duplicates Z: 8 5.141 1.849 -0.126 0.520 0.857 0.714 CB 1.376 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 8.239 1.799 0.134 0.412 0.900 0.550 CA 1.101 21 residues pruned to eliminate duplicates Z: 11 6.720 1.658 0.135 0.473 0.900 0.600 CA 1.290 11 residues pruned to eliminate duplicates Z: 21 12.136 1.899 0.265 0.448 0.950 0.750 CA 1.256 21 residues pruned to eliminate duplicates Z: 20 13.680 1.915 0.445 0.419 0.947 0.737 CB 1.303 20 residues pruned to eliminate duplicates Z: 21 14.158 1.924 0.290 0.434 1.000 0.700 CA 1.365 21 residues pruned to eliminate duplicates Z: 7 8.618 1.882 0.453 0.415 1.000 0.500 CA 1.406 7 residues pruned to eliminate duplicates Z: 21 13.501 1.930 0.280 0.437 1.000 0.450 CA 1.305 21 residues pruned to eliminate duplicates Z: 19 12.365 1.992 0.168 0.384 1.000 0.556 CB 1.417 19 residues pruned to eliminate duplicates Z: 22 12.886 1.895 0.333 0.384 0.905 0.571 CB 1.392 22 residues pruned to eliminate duplicates Z: 22 12.712 1.873 0.280 0.365 0.952 0.429 CA 1.404 22 residues pruned to eliminate duplicates Z: 20 12.597 1.972 0.167 0.396 1.000 0.579 CB 1.403 20 residues pruned to eliminate duplicates Z: 28 11.490 1.959 0.335 0.302 0.815 0.481 CB 1.294 28 residues pruned to eliminate duplicates Z: 14 8.945 1.990 0.153 0.353 1.000 0.692 CA 1.268 14 residues pruned to eliminate duplicates Z: 27 12.302 1.941 0.280 0.314 0.885 0.462 CB 1.348 27 residues pruned to eliminate duplicates Z: 15 10.023 1.990 0.300 0.301 0.929 0.714 CB 1.392 15 residues pruned to eliminate duplicates Z: 17 7.133 1.867 0.214 0.215 0.875 0.562 CB 1.258 17 residues pruned to eliminate duplicates Z: 27 13.660 1.916 0.278 0.371 1.000 0.423 CB 1.257 27 residues pruned to eliminate duplicates Z: 22 11.488 2.043 0.345 0.354 0.857 0.476 CB 1.247 22 residues pruned to eliminate duplicates Z: 33 14.830 1.926 0.312 0.321 0.875 0.406 CB 1.445 33 residues pruned to eliminate duplicates Z: 32 16.532 2.001 0.421 0.344 0.839 0.452 CB 1.476 33 residues pruned to eliminate duplicates Z: 6 4.909 1.619 0.659 0.419 0.800 0.800 CA 1.112 6 residues pruned to eliminate duplicates Z: 31 11.762 1.926 0.395 0.295 0.767 0.500 CB 1.311 31 residues pruned to eliminate duplicates Z: 30 12.385 1.920 0.427 0.263 0.828 0.517 CB 1.329 30 residues pruned to eliminate duplicates Z: 12 6.711 2.021 0.637 0.273 0.636 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 13 7.321 1.954 0.771 0.280 0.667 0.417 CB 1.174 13 residues pruned to eliminate duplicates Z: 30 11.447 1.973 0.322 0.294 0.793 0.448 CB 1.294 30 residues pruned to eliminate duplicates Z: 22 8.919 1.787 0.728 0.256 0.667 0.429 CB 1.250 12 residues pruned to eliminate duplicates Z: 9 4.156 1.815 0.563 0.127 0.750 0.375 CB 1.101 9 residues pruned to eliminate duplicates Z: 11 4.713 1.602 0.654 0.214 0.700 0.400 CB 1.126 11 residues pruned to eliminate duplicates Z: 7 7.325 1.950 0.708 0.474 0.667 0.667 CA 1.383 7 residues pruned to eliminate duplicates Z: 33 12.982 1.864 0.659 0.326 0.812 0.438 CB 1.107 32 residues pruned to eliminate duplicates Z: 9 6.956 1.560 0.307 0.563 0.875 0.625 CA 1.296 9 residues pruned to eliminate duplicates Z: 9 9.909 1.882 0.322 0.524 1.000 0.750 N 1.376 9 residues pruned to eliminate duplicates Z: 8 7.273 1.840 0.496 0.542 0.857 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 47 35.546 1.991 0.679 0.612 0.978 0.696 CA 1.440 47 residues pruned to eliminate duplicates Z: 12 14.606 1.996 0.367 0.654 1.000 0.545 CB 1.400 12 residues pruned to eliminate duplicates Z: 13 11.391 1.836 0.418 0.578 0.833 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 49 32.109 1.971 0.624 0.601 0.958 0.500 CA 1.372 49 residues pruned to eliminate duplicates Z: 12 11.733 1.977 0.428 0.608 0.818 0.636 CB 1.382 12 residues pruned to eliminate duplicates Z: 13 10.960 1.824 0.411 0.553 0.833 0.500 CB 1.402 13 residues pruned to eliminate duplicates Z: 13 10.882 1.895 0.383 0.557 0.833 0.583 CB 1.361 13 residues pruned to eliminate duplicates Z: 12 13.339 1.971 0.403 0.627 0.909 0.545 CB 1.420 12 residues pruned to eliminate duplicates Z: 12 13.378 1.967 0.442 0.637 0.909 0.636 CB 1.376 12 residues pruned to eliminate duplicates Z: 13 10.459 1.846 0.373 0.584 0.917 0.500 CB 1.198 13 residues pruned to eliminate duplicates Z: 11 12.121 1.978 0.213 0.783 0.900 0.700 CB 1.383 11 residues pruned to eliminate duplicates Z: 13 18.970 1.913 0.897 0.651 0.917 0.500 CB 1.430 11 residues pruned to eliminate duplicates Z: 13 16.025 1.727 0.613 0.828 1.000 0.750 CB 1.251 13 residues pruned to eliminate duplicates Z: 11 14.967 1.921 0.584 0.706 0.900 0.400 CB 1.433 11 residues pruned to eliminate duplicates Z: 11 15.966 1.794 0.623 0.856 0.900 0.600 N 1.420 11 residues pruned to eliminate duplicates Z: 13 14.432 1.923 0.500 0.754 0.833 0.583 CB 1.382 13 residues pruned to eliminate duplicates Z: 8 11.209 1.891 0.533 0.608 0.857 0.714 CA 1.539 8 residues pruned to eliminate duplicates Z: 9 10.129 1.807 0.659 0.505 0.875 0.500 CB 1.359 8 residues pruned to eliminate duplicates Z: 7 4.026 1.593 0.234 0.485 1.000 0.833 CB 0.849 7 residues pruned to eliminate duplicates Z: 15 10.725 1.971 0.567 0.431 0.857 0.643 CB 1.163 17 residues pruned to eliminate duplicates Z: 7 10.207 1.716 0.872 0.651 0.833 0.333 N 1.352 6 residues pruned to eliminate duplicates Z: 6 5.389 1.456 1.043 0.432 1.000 0.400 CA 0.869 5 residues pruned to eliminate duplicates Z: 6 2.103 1.610 0.263 0.236 0.800 0.400 CB 0.786 6 residues pruned to eliminate duplicates Z: 16 10.316 1.955 0.579 0.330 0.800 0.533 CA 1.299 16 residues pruned to eliminate duplicates Z: 8 3.247 1.561 0.470 0.299 1.000 0.286 CA 0.670 8 residues pruned to eliminate duplicates Z: 14 7.954 2.122 0.313 0.351 0.769 0.538 CA 1.209 14 residues pruned to eliminate duplicates Z: 10 8.713 2.033 0.369 0.310 0.889 0.333 CA 1.449 10 residues pruned to eliminate duplicates Z: 19 14.262 1.872 0.640 0.391 0.944 0.444 CA 1.300 19 residues pruned to eliminate duplicates Z: 6 3.153 1.855 0.772 0.337 0.400 0.200 CA 1.281 6 residues pruned to eliminate duplicates Z: 34 16.821 1.816 0.462 0.435 0.909 0.424 CB 1.298 34 residues pruned to eliminate duplicates 6 1.564 1.308 0.662 0.220 0.800 0.400 CA 0.558 ? Z: 7 5.063 1.407 0.275 0.461 1.000 0.500 N 1.200 7 residues pruned to eliminate duplicates Z: 11 12.421 1.712 0.696 0.574 1.000 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 10 12.976 1.817 0.810 0.608 1.000 0.889 CA 1.187 10 residues pruned to eliminate duplicates Z: 17 11.087 1.724 0.643 0.457 0.812 0.688 CA 1.259 17 residues pruned to eliminate duplicates Z: 32 12.025 1.809 0.612 0.340 0.742 0.548 CB 1.189 32 residues pruned to eliminate duplicates Z: 11 4.102 1.925 0.237 0.214 0.700 0.400 CB 1.090 11 residues pruned to eliminate duplicates Z: 9 4.517 1.912 0.009 0.272 0.750 0.750 CB 1.429 9 residues pruned to eliminate duplicates Z: 10 4.326 1.997 0.219 0.238 0.556 0.444 CB 1.445 10 residues pruned to eliminate duplicates Z: 30 13.319 1.868 0.487 0.417 0.793 0.655 CB 1.225 30 residues pruned to eliminate duplicates Z: 8 5.713 2.045 0.181 0.313 0.714 0.714 CB 1.539 8 residues pruned to eliminate duplicates Z: 10 4.418 1.881 0.197 0.319 0.778 0.556 CB 1.027 10 residues pruned to eliminate duplicates Z: 12 5.307 1.930 0.451 0.225 0.727 0.364 CB 1.084 12 residues pruned to eliminate duplicates Z: 16 9.239 2.006 0.546 0.386 0.733 0.600 CB 1.183 16 residues pruned to eliminate duplicates Z: 24 11.144 1.978 0.622 0.293 0.739 0.522 CB 1.235 24 residues pruned to eliminate duplicates Z: 18 7.327 1.708 0.560 0.276 0.824 0.235 CB 1.043 18 residues pruned to eliminate duplicates Z: 9 6.990 1.788 0.544 0.420 0.875 0.250 CB 1.113 9 residues pruned to eliminate duplicates Z: 7 7.575 1.983 0.769 0.344 0.667 0.500 CA 1.568 7 residues pruned to eliminate duplicates Z: 16 8.538 1.991 0.486 0.369 0.667 0.333 CB 1.287 16 residues pruned to eliminate duplicates Z: 7 9.635 1.856 0.688 0.510 0.833 0.500 CA 1.492 7 residues pruned to eliminate duplicates Z: 15 10.685 2.104 0.615 0.385 0.786 0.429 CB 1.210 15 residues pruned to eliminate duplicates Z: 15 9.748 2.041 0.536 0.354 0.786 0.500 CB 1.238 15 residues pruned to eliminate duplicates Z: 14 15.417 2.122 0.745 0.450 0.846 0.538 CB 1.437 14 residues pruned to eliminate duplicates Z: 6 3.816 1.187 0.731 0.432 1.000 0.600 CA 0.891 6 residues pruned to eliminate duplicates Z: 9 10.326 2.028 0.317 0.351 1.000 0.250 CA 1.607 9 residues pruned to eliminate duplicates Z: 9 8.005 1.979 0.514 0.252 0.875 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 10 5.913 1.957 0.314 0.306 0.778 0.222 CB 1.222 10 residues pruned to eliminate duplicates Z: 15 8.204 1.817 0.477 0.216 0.857 0.429 CB 1.332 8 residues pruned to eliminate duplicates Z: 45 33.467 2.029 0.584 0.674 0.909 0.705 CA 1.472 45 residues pruned to eliminate duplicates Z: 30 30.701 2.033 0.664 0.651 0.897 0.690 CB 1.634 30 residues pruned to eliminate duplicates Z: 29 30.881 2.093 0.602 0.662 0.929 0.607 CB 1.613 29 residues pruned to eliminate duplicates Z: 35 28.229 2.008 0.640 0.598 0.882 0.529 CB 1.518 35 residues pruned to eliminate duplicates Z: 31 32.462 2.057 0.649 0.630 0.967 0.533 CA 1.600 31 residues pruned to eliminate duplicates Z: 27 33.470 2.078 0.716 0.726 1.000 0.808 CB 1.502 27 residues pruned to eliminate duplicates Z: 24 32.065 2.148 0.673 0.764 0.913 0.609 CB 1.612 24 residues pruned to eliminate duplicates Z: 29 28.128 2.023 0.668 0.656 0.893 0.643 CB 1.527 29 residues pruned to eliminate duplicates Z: 26 31.914 2.072 0.799 0.694 0.920 0.560 CB 1.559 26 residues pruned to eliminate duplicates Z: 33 32.786 2.006 0.707 0.580 0.938 0.469 CA 1.670 33 residues pruned to eliminate duplicates Z: 29 34.741 2.097 0.740 0.678 0.929 0.679 CB 1.645 29 residues pruned to eliminate duplicates Z: 25 23.400 2.016 0.671 0.655 0.875 0.500 CB 1.403 25 residues pruned to eliminate duplicates Z: 27 27.012 1.990 0.581 0.693 0.962 0.615 CB 1.468 27 residues pruned to eliminate duplicates Z: 24 30.996 2.144 0.596 0.751 0.957 0.696 CB 1.578 24 residues pruned to eliminate duplicates Z: 34 27.130 2.026 0.615 0.580 0.879 0.545 CB 1.521 34 residues pruned to eliminate duplicates Z: 32 29.250 1.981 0.672 0.613 0.903 0.645 CB 1.577 32 residues pruned to eliminate duplicates Z: 24 30.566 2.134 0.581 0.752 0.957 0.739 CB 1.576 24 residues pruned to eliminate duplicates Z: 62 41.432 2.037 0.636 0.604 0.918 0.607 CA 1.570 62 residues pruned to eliminate duplicates Z: 67 39.326 1.991 0.637 0.568 0.924 0.561 CB 1.505 67 residues pruned to eliminate duplicates Z: 42 29.921 1.942 0.582 0.582 0.902 0.585 CB 1.558 42 residues pruned to eliminate duplicates Z: 25 17.774 1.916 0.524 0.553 0.917 0.625 CA 1.287 25 residues pruned to eliminate duplicates Z: 17 21.366 1.915 0.688 0.678 1.000 0.500 CB 1.402 17 residues pruned to eliminate duplicates Z: 48 43.384 2.046 0.723 0.677 0.957 0.660 CB 1.593 48 residues pruned to eliminate duplicates Z: 61 44.547 2.066 0.730 0.627 0.917 0.567 CB 1.557 61 residues pruned to eliminate duplicates Z: 49 41.976 2.005 0.659 0.696 0.958 0.667 CB 1.590 49 residues pruned to eliminate duplicates Z: 23 22.614 1.981 0.696 0.593 0.955 0.682 CA 1.375 23 residues pruned to eliminate duplicates Z: 31 19.747 1.968 0.515 0.453 0.900 0.567 CA 1.410 31 residues pruned to eliminate duplicates Z: 37 29.907 2.031 0.753 0.494 0.917 0.583 CA 1.537 37 residues pruned to eliminate duplicates Z: 20 19.609 1.900 0.561 0.573 1.000 0.632 CB 1.415 20 residues pruned to eliminate duplicates Z: 38 27.166 1.991 0.670 0.493 0.946 0.649 CA 1.430 38 residues pruned to eliminate duplicates Z: 25 22.828 1.932 0.609 0.573 0.958 0.583 CA 1.458 25 residues pruned to eliminate duplicates Z: 46 38.262 2.007 0.711 0.694 0.911 0.644 CB 1.528 46 residues pruned to eliminate duplicates Z: 18 18.719 1.879 0.594 0.624 0.941 0.588 CB 1.433 18 residues pruned to eliminate duplicates Z: 66 46.245 2.001 0.766 0.607 0.954 0.646 CB 1.537 66 residues pruned to eliminate duplicates Z: 23 25.518 1.945 0.853 0.561 0.909 0.636 CB 1.565 23 residues pruned to eliminate duplicates Z: 24 29.559 2.008 0.759 0.629 1.000 0.696 CA 1.546 24 residues pruned to eliminate duplicates Z: 48 32.515 1.964 0.794 0.476 0.957 0.553 CA 1.440 58 residues pruned to eliminate duplicates Z: 36 30.598 2.039 0.806 0.490 0.971 0.543 CA 1.459 36 residues pruned to eliminate duplicates Z: 40 25.713 1.969 0.616 0.431 0.949 0.564 CA 1.465 40 residues pruned to eliminate duplicates Z: 41 24.415 2.039 0.439 0.499 0.925 0.725 CA 1.424 41 residues pruned to eliminate duplicates Z: 24 17.921 2.044 0.602 0.346 0.913 0.478 CA 1.477 24 residues pruned to eliminate duplicates Z: 22 15.654 2.024 0.577 0.331 0.857 0.524 CA 1.503 22 residues pruned to eliminate duplicates Z: 18 21.371 2.189 0.797 0.408 1.000 0.647 CA 1.451 18 residues pruned to eliminate duplicates Z: 22 15.651 1.953 0.809 0.360 0.857 0.524 CB 1.311 22 residues pruned to eliminate duplicates Z: 49 34.286 2.052 0.647 0.516 0.958 0.625 CB 1.504 49 residues pruned to eliminate duplicates Z: 18 18.605 2.157 0.789 0.411 0.882 0.647 CA 1.455 18 residues pruned to eliminate duplicates Z: 38 28.157 1.994 0.767 0.484 0.946 0.595 CA 1.412 38 residues pruned to eliminate duplicates Z: 13 15.682 2.142 0.947 0.430 0.750 0.583 CA 1.556 13 residues pruned to eliminate duplicates Z: 25 17.815 2.068 0.710 0.344 0.833 0.333 CA 1.461 25 residues pruned to eliminate duplicates Z: 20 18.413 2.113 0.746 0.371 0.895 0.579 CA 1.468 20 residues pruned to eliminate duplicates Z: 39 25.247 1.975 0.737 0.482 0.868 0.474 CA 1.400 39 residues pruned to eliminate duplicates Z: 28 17.639 1.969 0.665 0.399 0.889 0.481 CA 1.296 28 residues pruned to eliminate duplicates Z: 14 15.931 2.094 1.001 0.408 0.846 0.615 CA 1.373 14 residues pruned to eliminate duplicates Z: 27 17.577 1.994 0.735 0.413 0.846 0.538 CA 1.290 27 residues pruned to eliminate duplicates Z: 14 15.004 2.044 0.821 0.477 0.769 0.538 CA 1.488 14 residues pruned to eliminate duplicates Z: 29 29.227 2.041 0.589 0.648 0.929 0.714 CA 1.597 29 residues pruned to eliminate duplicates Z: 27 33.693 2.061 0.593 0.731 1.000 0.808 CB 1.635 27 residues pruned to eliminate duplicates Z: 40 28.986 2.060 0.518 0.586 0.872 0.692 CA 1.567 40 residues pruned to eliminate duplicates Z: 28 30.742 2.024 0.609 0.640 0.963 0.704 CA 1.654 28 residues pruned to eliminate duplicates Z: 15 10.007 1.892 0.485 0.450 0.857 0.500 CA 1.169 15 residues pruned to eliminate duplicates Z: 6 12.752 2.003 0.918 0.620 1.000 0.400 CB 1.326 6 residues pruned to eliminate duplicates Z: 6 9.737 1.850 1.082 0.758 1.000 0.800 CA 0.899 7 residues pruned to eliminate duplicates Z: 7 9.555 1.861 0.840 0.792 1.000 0.667 CA 0.882 7 residues pruned to eliminate duplicates Z: 11 10.047 1.949 0.701 0.460 0.800 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 8 8.000 1.780 0.720 0.600 0.857 0.571 CA 1.047 8 residues pruned to eliminate duplicates Z: 7 5.308 1.955 0.353 0.169 1.000 0.500 CA 1.226 7 residues pruned to eliminate duplicates Z: 9 3.251 1.760 0.178 0.125 0.750 0.375 CB 1.182 9 residues pruned to eliminate duplicates Z: 11 3.376 1.691 0.198 0.169 0.800 0.500 CB 0.984 9 residues pruned to eliminate duplicates 6 0.100 1.540 0.326 0.259 0.600 0.400 CB 0.048 ? Z: 6 4.390 1.645 0.921 0.370 0.800 0.800 CA 0.893 6 residues pruned to eliminate duplicates Z: 11 13.798 2.138 0.580 0.472 0.900 0.800 CA 1.476 11 residues pruned to eliminate duplicates Z: 73 41.799 2.085 0.669 0.586 0.917 0.639 CA 1.422 73 residues pruned to eliminate duplicates Z: 11 9.465 1.938 0.512 0.390 1.000 0.500 CA 1.148 11 residues pruned to eliminate duplicates Z: 35 35.238 2.059 0.829 0.635 0.941 0.735 CA 1.503 35 residues pruned to eliminate duplicates Z: 36 26.894 2.047 0.499 0.634 0.971 0.743 CA 1.345 36 residues pruned to eliminate duplicates Z: 29 29.913 2.073 0.747 0.665 0.929 0.786 CA 1.442 29 residues pruned to eliminate duplicates Z: 42 35.653 2.061 0.760 0.673 0.927 0.585 CA 1.412 42 residues pruned to eliminate duplicates Z: 30 25.386 2.041 0.549 0.605 0.897 0.552 CB 1.505 30 residues pruned to eliminate duplicates Z: 39 28.451 2.005 0.571 0.568 0.921 0.658 CA 1.490 39 residues pruned to eliminate duplicates Z: 33 32.417 2.084 0.665 0.681 1.000 0.781 CA 1.399 33 residues pruned to eliminate duplicates Z: 47 32.184 2.061 0.586 0.560 0.891 0.696 CA 1.536 47 residues pruned to eliminate duplicates Z: 41 37.278 2.051 0.767 0.705 0.925 0.625 CA 1.459 41 residues pruned to eliminate duplicates Z: 35 33.362 2.091 0.659 0.639 0.941 0.735 CA 1.539 35 residues pruned to eliminate duplicates Z: 28 31.267 2.107 0.729 0.684 0.963 0.704 CA 1.449 28 residues pruned to eliminate duplicates Z: 35 34.183 2.059 0.633 0.646 1.000 0.618 CA 1.522 35 residues pruned to eliminate duplicates Z: 60 37.242 2.060 0.714 0.573 0.847 0.559 CA 1.510 60 residues pruned to eliminate duplicates Z: 35 30.023 1.984 0.791 0.630 0.971 0.647 CA 1.321 35 residues pruned to eliminate duplicates Z: 35 30.702 2.069 0.671 0.642 0.941 0.647 CA 1.417 35 residues pruned to eliminate duplicates Z: 33 33.921 2.091 0.826 0.697 0.938 0.688 CA 1.399 33 residues pruned to eliminate duplicates Z: 34 32.748 2.053 0.807 0.653 0.909 0.576 CA 1.466 34 residues pruned to eliminate duplicates Z: 28 32.652 2.094 0.712 0.682 1.000 0.704 CA 1.483 28 residues pruned to eliminate duplicates Z: 34 31.965 2.088 0.706 0.652 0.939 0.697 CA 1.444 34 residues pruned to eliminate duplicates Z: 35 32.088 2.063 0.789 0.640 0.912 0.794 CA 1.435 35 residues pruned to eliminate duplicates Z: 38 27.585 2.017 0.722 0.571 0.865 0.568 CA 1.409 38 residues pruned to eliminate duplicates Z: 38 29.561 2.031 0.636 0.619 1.000 0.730 CA 1.308 38 residues pruned to eliminate duplicates Z: 47 28.868 1.972 0.684 0.545 0.870 0.609 CA 1.410 47 residues pruned to eliminate duplicates Z: 37 29.380 2.043 0.698 0.601 0.889 0.556 CA 1.442 37 residues pruned to eliminate duplicates Z: 36 29.332 2.066 0.634 0.619 0.886 0.714 CA 1.482 36 residues pruned to eliminate duplicates Z: 10 5.603 2.035 0.429 0.241 0.667 0.556 CB 1.301 10 residues pruned to eliminate duplicates Z: 42 39.511 2.040 0.864 0.717 0.927 0.610 CA 1.439 42 residues pruned to eliminate duplicates Z: 46 44.156 2.093 0.916 0.698 0.933 0.622 CA 1.467 46 residues pruned to eliminate duplicates Z: 40 36.747 2.114 0.766 0.722 0.897 0.513 CA 1.437 40 residues pruned to eliminate duplicates Z: 43 37.205 2.056 0.816 0.691 0.929 0.667 CA 1.389 43 residues pruned to eliminate duplicates Z: 41 39.230 2.081 0.743 0.696 0.975 0.625 CA 1.466 41 residues pruned to eliminate duplicates Z: 13 20.480 2.005 0.946 0.698 0.833 0.417 CA 1.518 13 residues pruned to eliminate duplicates Z: 50 32.095 1.987 0.726 0.588 0.918 0.633 CA 1.338 50 residues pruned to eliminate duplicates Z: 47 39.253 2.086 0.707 0.711 0.957 0.717 CA 1.403 47 residues pruned to eliminate duplicates Z: 69 44.687 2.110 0.716 0.598 0.926 0.574 CA 1.471 74 residues pruned to eliminate duplicates Z: 13 18.325 1.916 0.887 0.716 0.833 0.333 CA 1.444 13 residues pruned to eliminate duplicates Z: 27 15.150 2.022 0.646 0.317 0.769 0.385 CA 1.421 27 residues pruned to eliminate duplicates Z: 73 39.373 2.067 0.691 0.538 0.889 0.500 CA 1.440 73 residues pruned to eliminate duplicates Z: 32 24.209 2.080 0.667 0.423 0.935 0.516 CA 1.452 32 residues pruned to eliminate duplicates Z: 33 17.647 1.999 0.565 0.374 0.812 0.438 CA 1.404 33 residues pruned to eliminate duplicates Z: 6 3.126 1.963 -0.052 0.421 1.000 0.400 CA 0.815 6 residues pruned to eliminate duplicates Z: 27 22.881 2.026 0.663 0.526 0.923 0.577 CA 1.405 27 residues pruned to eliminate duplicates Z: 15 9.788 1.950 0.330 0.299 0.929 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 21 12.739 1.911 0.531 0.313 0.850 0.550 CA 1.408 21 residues pruned to eliminate duplicates Z: 32 16.447 1.962 0.354 0.418 0.903 0.452 CA 1.341 30 residues pruned to eliminate duplicates Z: 11 7.396 1.778 0.535 0.705 0.700 0.600 CA 1.016 11 residues pruned to eliminate duplicates Z: 23 16.306 2.060 0.524 0.495 0.864 0.545 CA 1.288 24 residues pruned to eliminate duplicates Z: 9 14.357 1.918 0.775 0.792 1.000 0.625 CA 1.154 9 residues pruned to eliminate duplicates Z: 16 12.519 1.996 0.582 0.472 0.733 0.533 CA 1.436 16 residues pruned to eliminate duplicates Z: 31 20.936 2.039 0.528 0.456 0.900 0.667 CA 1.426 31 residues pruned to eliminate duplicates Z: 11 11.041 1.801 0.675 0.695 0.900 0.600 CA 1.076 11 residues pruned to eliminate duplicates Z: 62 37.546 2.070 0.695 0.532 0.918 0.590 CA 1.445 62 residues pruned to eliminate duplicates Z: 34 19.895 2.047 0.628 0.399 0.848 0.515 CA 1.363 34 residues pruned to eliminate duplicates Z: 24 14.390 1.990 0.464 0.449 0.826 0.478 CA 1.313 24 residues pruned to eliminate duplicates Z: 28 14.036 1.887 0.407 0.409 0.852 0.519 CA 1.314 24 residues pruned to eliminate duplicates Z: 8 5.547 1.549 0.500 0.528 0.857 0.571 CA 1.024 8 residues pruned to eliminate duplicates Z: 28 14.986 1.982 0.565 0.300 0.815 0.593 CA 1.426 28 residues pruned to eliminate duplicates Z: 29 12.874 2.022 0.453 0.295 0.786 0.536 CB 1.326 20 residues pruned to eliminate duplicates Z: 6 2.531 1.631 0.325 0.474 0.800 0.800 CA 0.672 6 residues pruned to eliminate duplicates Z: 33 16.238 2.021 0.475 0.354 0.844 0.531 CB 1.336 34 residues pruned to eliminate duplicates Z: 8 8.752 1.763 0.817 0.511 0.857 0.571 CA 1.191 Z: 22 16.742 2.036 0.566 0.397 0.857 0.619 CB 1.489 22 residues pruned to eliminate duplicates Z: 17 11.905 1.930 0.534 0.373 0.875 0.438 CB 1.315 17 residues pruned to eliminate duplicates Z: 30 13.659 2.033 0.487 0.327 0.759 0.517 CA 1.337 30 residues pruned to eliminate duplicates Z: 28 15.293 1.987 0.464 0.400 0.815 0.556 CB 1.380 28 residues pruned to eliminate duplicates Z: 28 15.685 2.046 0.409 0.310 0.889 0.519 CB 1.454 28 residues pruned to eliminate duplicates Z: 23 13.764 2.001 0.524 0.342 0.909 0.273 CB 1.258 23 residues pruned to eliminate duplicates Z: 19 14.161 2.008 0.498 0.367 0.944 0.556 CB 1.355 19 residues pruned to eliminate duplicates Z: 30 16.446 2.017 0.509 0.359 0.862 0.517 CA 1.354 30 residues pruned to eliminate duplicates Z: 28 14.163 2.064 0.428 0.306 0.778 0.556 CB 1.474 28 residues pruned to eliminate duplicates Z: 29 16.881 2.045 0.416 0.368 0.857 0.536 CB 1.482 32 residues pruned to eliminate duplicates Z: 7 5.354 1.754 0.381 0.537 0.667 0.500 CA 1.306 8 residues pruned to eliminate duplicates Z: 6 3.856 1.744 0.511 0.423 1.000 0.600 CA 0.709 7 residues pruned to eliminate duplicates Z: 8 8.787 1.715 0.609 0.580 1.000 0.571 CA 1.115 8 residues pruned to eliminate duplicates Z: 6 3.679 1.646 0.210 0.376 0.800 0.200 CA 1.179 6 residues pruned to eliminate duplicates Z: 18 13.460 1.911 0.446 0.327 0.941 0.529 CA 1.517 18 residues pruned to eliminate duplicates Z: 20 14.137 1.891 0.579 0.308 1.000 0.526 CB 1.345 20 residues pruned to eliminate duplicates Z: 20 13.892 1.912 0.528 0.331 0.895 0.579 CB 1.467 20 residues pruned to eliminate duplicates Z: 6 2.099 1.624 0.750 0.100 0.600 0.200 CA 0.917 6 residues pruned to eliminate duplicates Z: 30 21.624 2.094 0.642 0.434 0.931 0.621 CB 1.343 31 residues pruned to eliminate duplicates Z: 7 8.577 1.599 0.663 0.510 1.000 0.500 C 1.304 Z: 6 3.499 1.508 0.789 0.169 0.800 0.400 CA 1.084 Z: 7 5.193 1.547 0.707 0.228 0.833 0.500 C 1.323 6 residues pruned to eliminate duplicates Z: 16 18.453 2.093 0.876 0.440 0.867 0.533 CB 1.489 16 residues pruned to eliminate duplicates Z: 16 20.855 2.063 0.931 0.530 0.933 0.533 CB 1.407 16 residues pruned to eliminate duplicates Z: 31 20.819 2.040 0.718 0.441 0.933 0.633 CB 1.236 31 residues pruned to eliminate duplicates Z: 11 11.889 2.111 0.570 0.495 0.900 0.600 CB 1.266 11 residues pruned to eliminate duplicates Z: 13 9.999 2.068 0.590 0.402 0.833 0.667 CB 1.168 13 residues pruned to eliminate duplicates Z: 13 10.199 2.030 0.447 0.497 0.917 0.667 CB 1.096 13 residues pruned to eliminate duplicates Z: 15 12.401 1.922 0.609 0.454 1.000 0.643 CB 1.124 15 residues pruned to eliminate duplicates Z: 15 10.055 2.012 0.538 0.342 0.857 0.500 CB 1.203 15 residues pruned to eliminate duplicates Z: 30 20.727 2.021 0.726 0.457 0.931 0.517 CB 1.238 30 residues pruned to eliminate duplicates Z: 12 12.947 2.056 0.644 0.416 1.000 0.545 CB 1.262 12 residues pruned to eliminate duplicates Z: 14 9.520 1.988 0.456 0.435 0.923 0.692 CB 1.057 14 residues pruned to eliminate duplicates Z: 33 20.649 1.927 0.810 0.433 0.938 0.594 CB 1.196 33 residues pruned to eliminate duplicates Z: 14 13.412 2.026 0.768 0.485 0.923 0.615 CA 1.143 11 residues pruned to eliminate duplicates Z: 6 2.256 1.748 0.084 0.424 0.800 0.600 CA 0.720 6 residues pruned to eliminate duplicates Z: 26 10.674 1.759 0.588 0.384 0.880 0.520 CA 0.983 15 residues pruned to eliminate duplicates Z: 8 12.726 1.865 0.590 0.626 1.000 0.571 CB 1.439 8 residues pruned to eliminate duplicates Z: 8 14.133 1.858 0.595 0.650 1.000 0.714 CA 1.567 8 residues pruned to eliminate duplicates Z: 7 3.127 1.874 0.564 0.246 0.833 0.167 CB 0.701 7 residues pruned to eliminate duplicates Z: 18 15.090 1.930 0.587 0.430 0.941 0.471 CB 1.365 17 residues pruned to eliminate duplicates Z: 6 3.250 1.480 0.534 0.381 1.000 0.400 CA 0.727 Z: 17 12.204 1.971 0.548 0.380 0.875 0.500 CA 1.299 23 residues pruned to eliminate duplicates Z: 18 12.228 1.935 0.478 0.368 0.882 0.471 CB 1.355 18 residues pruned to eliminate duplicates Z: 7 3.952 1.539 0.452 0.191 0.833 0.167 CB 1.254 7 residues pruned to eliminate duplicates Z: 31 15.174 1.981 0.464 0.362 0.833 0.500 CB 1.329 31 residues pruned to eliminate duplicates Z: 23 13.302 1.910 0.657 0.293 0.909 0.409 CB 1.243 24 residues pruned to eliminate duplicates 6 1.510 1.820 -0.053 0.264 0.400 0.200 CA 1.281 ? Z: 8 8.974 1.767 0.942 0.431 1.000 0.571 CB 1.062 8 residues pruned to eliminate duplicates Z: 18 11.096 2.031 0.268 0.373 0.824 0.471 CA 1.453 18 residues pruned to eliminate duplicates Z: 19 11.996 1.987 0.319 0.349 0.889 0.333 CB 1.430 17 residues pruned to eliminate duplicates Z: 7 7.068 1.795 0.365 0.468 1.000 0.667 CB 1.217 7 residues pruned to eliminate duplicates Z: 18 8.874 2.040 0.311 0.303 0.706 0.412 CB 1.419 18 residues pruned to eliminate duplicates Z: 16 11.735 2.146 0.357 0.363 0.800 0.600 CA 1.507 16 residues pruned to eliminate duplicates Z: 17 12.725 2.147 0.266 0.380 0.875 0.562 CA 1.520 17 residues pruned to eliminate duplicates Z: 27 9.408 1.918 0.432 0.184 0.731 0.308 CB 1.344 24 residues pruned to eliminate duplicates Z: 32 13.587 2.116 0.264 0.258 0.839 0.355 CB 1.435 37 residues pruned to eliminate duplicates Z: 16 7.353 2.108 0.466 0.206 0.667 0.333 CB 1.306 16 residues pruned to eliminate duplicates Z: 20 10.748 2.080 0.447 0.241 0.789 0.368 CA 1.399 20 residues pruned to eliminate duplicates Z: 7 3.898 1.938 0.448 0.083 0.833 0.333 CA 1.166 7 residues pruned to eliminate duplicates Z: 24 8.596 2.005 0.447 0.148 0.739 0.261 CB 1.291 24 residues pruned to eliminate duplicates Z: 14 8.458 2.155 0.297 0.223 0.846 0.385 CA 1.372 14 residues pruned to eliminate duplicates Z: 52 16.549 2.026 0.426 0.295 0.745 0.451 CB 1.354 52 residues pruned to eliminate duplicates Z: 20 9.928 1.975 0.565 0.198 0.684 0.316 CA 1.542 20 residues pruned to eliminate duplicates Z: 22 9.424 1.979 0.440 0.263 0.714 0.524 CA 1.324 22 residues pruned to eliminate duplicates Z: 21 9.021 2.011 0.394 0.227 0.750 0.500 CB 1.320 21 residues pruned to eliminate duplicates Z: 36 15.664 2.111 0.362 0.299 0.800 0.429 CB 1.440 36 residues pruned to eliminate duplicates Z: 13 8.647 2.073 0.447 0.267 0.750 0.417 CA 1.445 13 residues pruned to eliminate duplicates Z: 11 6.329 2.098 0.423 0.192 0.700 0.600 CA 1.383 11 residues pruned to eliminate duplicates Z: 38 13.929 2.079 0.341 0.253 0.757 0.459 CA 1.441 38 residues pruned to eliminate duplicates Z: 22 9.648 1.930 0.327 0.240 0.857 0.429 CB 1.296 22 residues pruned to eliminate duplicates Z: 19 8.902 1.967 0.365 0.232 0.833 0.389 CB 1.280 19 residues pruned to eliminate duplicates Z: 17 7.434 2.077 0.291 0.245 0.688 0.562 CA 1.353 17 residues pruned to eliminate duplicates Z: 19 9.492 2.023 0.510 0.276 0.778 0.333 CA 1.213 19 residues pruned to eliminate duplicates Z: 34 30.097 1.981 0.595 0.699 0.970 0.788 CB 1.427 34 residues pruned to eliminate duplicates Z: 33 27.583 1.976 0.529 0.681 0.938 0.781 CB 1.458 33 residues pruned to eliminate duplicates Z: 34 27.473 2.010 0.523 0.678 0.909 0.758 CB 1.460 34 residues pruned to eliminate duplicates Z: 25 30.146 2.091 0.566 0.709 1.000 0.792 CA 1.554 25 residues pruned to eliminate duplicates Z: 46 23.582 2.029 0.354 0.503 0.889 0.600 CB 1.435 46 residues pruned to eliminate duplicates Z: 28 28.045 2.053 0.437 0.712 0.963 0.741 CB 1.568 28 residues pruned to eliminate duplicates Z: 27 31.083 2.057 0.518 0.735 0.962 0.808 CB 1.643 27 residues pruned to eliminate duplicates Z: 26 27.349 2.063 0.379 0.748 0.960 0.880 CA 1.604 26 residues pruned to eliminate duplicates Z: 31 25.011 2.034 0.420 0.639 0.967 0.767 CB 1.436 31 residues pruned to eliminate duplicates Z: 27 24.970 2.046 0.418 0.720 0.962 0.808 CB 1.439 27 residues pruned to eliminate duplicates Z: 17 26.386 2.200 0.663 0.683 0.938 0.688 CB 1.626 17 residues pruned to eliminate duplicates Z: 19 26.379 2.109 0.597 0.727 1.000 0.778 CB 1.504 19 residues pruned to eliminate duplicates Z: 50 46.502 2.154 0.940 0.522 0.959 0.633 CB 1.621 31 residues pruned to eliminate duplicates Z: 20 25.380 1.986 0.655 0.931 1.000 0.789 CB 1.238 20 residues pruned to eliminate duplicates Z: 29 28.648 1.989 0.584 0.760 0.964 0.750 CB 1.414 29 residues pruned to eliminate duplicates Z: 28 32.285 2.036 0.779 0.772 0.926 0.630 CB 1.457 28 residues pruned to eliminate duplicates Z: 21 26.733 2.072 0.833 0.740 0.900 0.750 CB 1.410 21 residues pruned to eliminate duplicates Z: 32 28.001 1.919 0.669 0.715 0.903 0.645 CB 1.431 32 residues pruned to eliminate duplicates Z: 27 21.804 2.022 0.527 0.624 0.885 0.538 CB 1.393 27 residues pruned to eliminate duplicates Z: 32 24.270 1.913 0.687 0.637 0.871 0.484 CB 1.364 32 residues pruned to eliminate duplicates Z: 28 34.900 1.998 0.839 0.753 1.000 0.630 CB 1.459 28 residues pruned to eliminate duplicates Z: 27 32.614 2.027 0.773 0.727 0.923 0.500 CB 1.572 27 residues pruned to eliminate duplicates Z: 14 24.080 2.211 0.799 0.797 0.846 0.615 CB 1.530 14 residues pruned to eliminate duplicates Z: 17 24.155 2.093 0.805 0.630 0.875 0.312 CB 1.617 17 residues pruned to eliminate duplicates Z: 56 37.432 2.162 0.714 0.451 0.891 0.455 CB 1.608 37 residues pruned to eliminate duplicates Z: 9 4.204 1.838 0.783 0.462 0.500 0.250 CB 0.943 Z: 55 37.751 2.172 0.693 0.461 0.907 0.611 CB 1.602 55 residues pruned to eliminate duplicates Z: 68 34.028 2.111 0.587 0.421 0.881 0.597 CB 1.530 68 residues pruned to eliminate duplicates Z: 27 27.541 2.249 0.769 0.423 0.962 0.615 CB 1.529 27 residues pruned to eliminate duplicates Z: 36 22.523 2.140 0.766 0.330 0.800 0.486 CB 1.518 45 residues pruned to eliminate duplicates Z: 6 2.440 1.696 -0.193 0.307 1.000 0.600 CB 0.989 Z: 31 25.771 2.190 0.758 0.423 0.900 0.567 CB 1.471 31 residues pruned to eliminate duplicates Z: 31 22.539 2.156 0.623 0.359 0.900 0.533 CB 1.520 31 residues pruned to eliminate duplicates Z: 27 23.260 2.195 0.732 0.428 0.885 0.577 CB 1.461 27 residues pruned to eliminate duplicates Z: 55 36.416 2.137 0.599 0.461 0.963 0.574 CB 1.568 55 residues pruned to eliminate duplicates Z: 29 24.806 2.220 0.700 0.398 0.857 0.607 CB 1.614 29 residues pruned to eliminate duplicates Z: 55 33.898 2.157 0.614 0.465 0.852 0.537 CB 1.611 55 residues pruned to eliminate duplicates Z: 29 22.655 2.200 0.581 0.383 0.893 0.500 CB 1.562 29 residues pruned to eliminate duplicates Z: 56 34.232 2.187 0.589 0.434 0.855 0.582 CB 1.664 56 residues pruned to eliminate duplicates Z: 30 21.716 2.225 0.638 0.311 0.862 0.517 CB 1.583 30 residues pruned to eliminate duplicates Z: 39 21.121 2.056 0.509 0.421 0.842 0.447 CB 1.423 39 residues pruned to eliminate duplicates Z: 57 34.943 2.117 0.679 0.462 0.875 0.446 CB 1.560 57 residues pruned to eliminate duplicates Z: 31 21.154 2.178 0.675 0.335 0.833 0.433 CB 1.521 31 residues pruned to eliminate duplicates Z: 38 22.553 2.032 0.639 0.364 0.892 0.432 CB 1.445 39 residues pruned to eliminate duplicates Z: 11 10.350 1.872 0.482 0.591 0.900 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 57 34.063 2.132 0.693 0.457 0.857 0.536 CB 1.537 57 residues pruned to eliminate duplicates Z: 27 24.543 2.251 0.717 0.427 0.885 0.500 CB 1.519 27 residues pruned to eliminate duplicates Z: 20 26.328 2.151 0.791 0.522 0.947 0.474 CA 1.621 20 residues pruned to eliminate duplicates Z: 37 20.435 2.107 0.734 0.294 0.806 0.361 CB 1.458 37 residues pruned to eliminate duplicates Z: 29 24.120 2.169 0.658 0.357 0.929 0.464 CB 1.592 29 residues pruned to eliminate duplicates Z: 40 22.966 2.073 0.696 0.406 0.795 0.462 CB 1.453 40 residues pruned to eliminate duplicates Z: 14 9.315 1.920 0.658 0.422 0.769 0.615 CB 1.144 14 residues pruned to eliminate duplicates Z: 6 2.984 1.648 0.338 0.317 0.800 0.400 CA 0.925 6 residues pruned to eliminate duplicates Z: 13 7.597 1.805 0.537 0.384 0.750 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 18 6.610 1.937 0.531 0.282 0.588 0.412 CB 1.176 18 residues pruned to eliminate duplicates Z: 13 9.237 1.943 0.541 0.396 0.750 0.583 CB 1.325 13 residues pruned to eliminate duplicates Z: 26 7.828 1.904 0.449 0.281 0.600 0.400 CB 1.211 26 residues pruned to eliminate duplicates Z: 12 6.710 1.928 0.348 0.351 0.727 0.545 CB 1.258 12 residues pruned to eliminate duplicates Z: 25 12.513 2.024 0.736 0.316 0.750 0.458 CB 1.188 25 residues pruned to eliminate duplicates Z: 13 5.552 1.819 0.342 0.344 0.667 0.583 CB 1.167 13 residues pruned to eliminate duplicates Z: 25 13.883 1.904 0.636 0.298 0.875 0.458 CB 1.304 25 residues pruned to eliminate duplicates Z: 30 14.188 2.043 0.615 0.351 0.724 0.621 CB 1.296 31 residues pruned to eliminate duplicates Z: 9 8.550 1.874 0.364 0.499 1.000 0.500 CB 1.183 9 residues pruned to eliminate duplicates Z: 33 12.596 1.902 0.570 0.330 0.781 0.531 CB 1.150 33 residues pruned to eliminate duplicates Z: 14 6.086 1.932 0.551 0.205 0.769 0.231 CB 1.039 14 residues pruned to eliminate duplicates Z: 9 8.083 2.192 0.525 0.190 0.875 0.375 CB 1.417 9 residues pruned to eliminate duplicates Z: 17 10.845 2.049 0.720 0.289 0.875 0.438 CB 1.114 17 residues pruned to eliminate duplicates Z: 33 15.294 1.925 0.633 0.302 0.844 0.500 CB 1.271 33 residues pruned to eliminate duplicates Z: 17 11.361 1.960 0.730 0.310 0.875 0.438 CB 1.182 17 residues pruned to eliminate duplicates Z: 30 14.656 2.030 0.555 0.344 0.793 0.552 CB 1.288 30 residues pruned to eliminate duplicates Z: 15 13.423 2.102 0.815 0.358 0.857 0.429 CB 1.278 15 residues pruned to eliminate duplicates Z: 11 5.753 1.703 0.740 0.359 0.700 0.400 CA 1.021 11 residues pruned to eliminate duplicates Z: 16 9.984 2.007 0.706 0.319 0.800 0.400 CB 1.149 16 residues pruned to eliminate duplicates Z: 7 6.711 1.972 0.638 0.550 0.833 0.833 CA 0.969 7 residues pruned to eliminate duplicates Z: 8 6.497 2.025 0.372 0.290 1.000 0.714 CB 1.118 7 residues pruned to eliminate duplicates Z: 6 10.184 2.223 0.403 0.495 1.000 0.400 CA 1.467 8 residues pruned to eliminate duplicates Z: 6 5.035 1.606 0.448 0.276 1.000 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 33 39.582 2.245 0.744 0.668 0.969 0.750 CB 1.580 33 residues pruned to eliminate duplicates Z: 49 26.185 2.035 0.585 0.465 0.875 0.521 CB 1.388 67 residues pruned to eliminate duplicates Z: 12 27.848 2.319 0.613 0.830 1.000 0.818 CA 1.687 12 residues pruned to eliminate duplicates Z: 53 39.204 2.173 0.582 0.612 0.942 0.577 CB 1.510 53 residues pruned to eliminate duplicates Z: 45 40.492 2.154 0.616 0.648 0.977 0.568 CB 1.564 45 residues pruned to eliminate duplicates Z: 55 41.829 2.177 0.771 0.575 0.926 0.519 CB 1.483 55 residues pruned to eliminate duplicates Z: 35 41.106 2.218 0.860 0.640 0.971 0.529 CB 1.545 35 residues pruned to eliminate duplicates Z: 47 39.450 2.188 0.552 0.596 0.957 0.587 CB 1.633 47 residues pruned to eliminate duplicates Z: 58 47.859 2.184 0.797 0.604 0.930 0.491 CB 1.573 58 residues pruned to eliminate duplicates Z: 56 39.378 2.162 0.622 0.584 0.964 0.545 CB 1.450 56 residues pruned to eliminate duplicates Z: 63 34.365 2.125 0.619 0.497 0.855 0.419 CB 1.488 35 residues pruned to eliminate duplicates Z: 24 41.216 2.245 1.069 0.797 0.870 0.435 CB 1.641 32 residues pruned to eliminate duplicates Z: 23 43.840 2.322 0.832 0.827 1.000 0.591 CB 1.656 23 residues pruned to eliminate duplicates Z: 50 44.066 2.236 0.588 0.618 1.000 0.449 CB 1.586 50 residues pruned to eliminate duplicates Z: 42 48.977 2.213 0.804 0.672 1.000 0.610 CB 1.635 42 residues pruned to eliminate duplicates Z: 63 36.762 2.131 0.647 0.540 0.919 0.452 CB 1.392 34 residues pruned to eliminate duplicates Z: 11 14.525 2.106 0.445 0.629 0.900 0.700 CA 1.485 11 residues pruned to eliminate duplicates Z: 16 9.630 1.989 0.228 0.407 0.867 0.400 CB 1.296 16 residues pruned to eliminate duplicates Z: 51 44.983 2.209 0.728 0.629 0.960 0.620 CB 1.537 62 residues pruned to eliminate duplicates Z: 65 42.742 2.143 0.767 0.562 0.906 0.547 CB 1.466 52 residues pruned to eliminate duplicates Z: 10 13.152 2.070 0.163 0.834 1.000 0.444 CB 1.365 10 residues pruned to eliminate duplicates Z: 38 34.997 2.130 0.804 0.647 0.892 0.432 CB 1.464 38 residues pruned to eliminate duplicates Z: 53 44.946 2.199 0.730 0.614 0.962 0.519 CB 1.530 53 residues pruned to eliminate duplicates Z: 53 39.437 2.113 0.745 0.612 0.904 0.500 CB 1.476 53 residues pruned to eliminate duplicates Z: 54 43.191 2.162 0.672 0.620 0.943 0.509 CB 1.553 54 residues pruned to eliminate duplicates Z: 60 46.144 2.197 0.723 0.607 0.932 0.627 CB 1.537 60 residues pruned to eliminate duplicates Z: 56 44.025 2.133 0.686 0.619 0.964 0.527 CB 1.531 56 residues pruned to eliminate duplicates Z: 17 18.883 2.148 0.357 0.629 0.938 0.562 CB 1.531 17 residues pruned to eliminate duplicates Z: 9 3.704 1.765 0.106 0.329 0.625 0.375 CB 1.294 Z: 49 41.969 2.171 0.562 0.632 0.979 0.521 CB 1.611 49 residues pruned to eliminate duplicates Z: 37 40.650 2.202 0.721 0.651 0.972 0.667 CB 1.597 37 residues pruned to eliminate duplicates Z: 10 13.752 1.991 0.771 0.586 0.778 0.333 CA 1.539 Z: 19 36.092 2.139 0.992 0.824 1.000 0.444 CB 1.507 19 residues pruned to eliminate duplicates Z: 42 38.140 2.170 0.623 0.641 0.927 0.512 CB 1.599 42 residues pruned to eliminate duplicates Z: 53 36.673 2.200 0.496 0.574 0.962 0.577 CB 1.496 53 residues pruned to eliminate duplicates Z: 59 39.050 2.133 0.584 0.558 0.983 0.517 CB 1.459 59 residues pruned to eliminate duplicates Z: 46 29.268 2.041 0.650 0.551 0.889 0.467 CB 1.385 46 residues pruned to eliminate duplicates Z: 48 34.061 2.138 0.579 0.610 0.936 0.596 CB 1.416 48 residues pruned to eliminate duplicates Z: 13 6.588 1.839 0.660 0.381 0.750 0.417 CB 0.943 28 residues pruned to eliminate duplicates Z: 7 5.194 1.528 0.200 0.612 0.833 0.167 N 1.248 7 residues pruned to eliminate duplicates Z: 8 6.696 1.804 0.078 0.492 0.857 0.286 CA 1.530 7 residues pruned to eliminate duplicates Z: 8 6.385 1.803 0.197 0.492 0.714 0.286 C 1.578 8 residues pruned to eliminate duplicates Z: 6 5.500 1.672 1.413 0.100 0.800 0.200 N 1.270 6 residues pruned to eliminate duplicates Z: 14 9.833 1.974 0.671 0.262 0.692 0.385 CA 1.568 14 residues pruned to eliminate duplicates Z: 9 9.022 2.008 0.613 0.365 1.000 0.625 CA 1.138 9 residues pruned to eliminate duplicates Z: 9 8.955 1.955 0.700 0.265 0.875 0.500 CA 1.423 9 residues pruned to eliminate duplicates Z: 12 8.841 1.951 0.654 0.237 0.909 0.455 CB 1.234 12 residues pruned to eliminate duplicates Z: 16 8.578 1.893 0.608 0.277 0.733 0.200 CA 1.277 16 residues pruned to eliminate duplicates Z: 15 13.260 1.963 0.734 0.297 0.929 0.429 CB 1.408 15 residues pruned to eliminate duplicates Z: 6 2.496 1.372 0.619 0.194 0.800 0.400 N 0.905 6 residues pruned to eliminate duplicates Z: 15 7.754 1.626 0.653 0.292 0.929 0.429 CB 1.048 14 residues pruned to eliminate duplicates Z: 6 3.294 1.474 0.939 0.251 0.600 0.200 N 1.144 6 residues pruned to eliminate duplicates Z: 13 8.289 1.715 0.574 0.423 0.833 0.417 CB 1.152 13 residues pruned to eliminate duplicates Z: 40 16.740 1.884 0.539 0.332 0.872 0.615 CB 1.274 40 residues pruned to eliminate duplicates Z: 19 8.632 1.813 0.606 0.302 0.778 0.333 CB 1.121 19 residues pruned to eliminate duplicates Z: 35 18.934 1.924 0.607 0.356 0.882 0.529 CB 1.390 41 residues pruned to eliminate duplicates Z: 7 4.495 1.897 0.090 0.457 0.833 0.500 CB 1.113 7 residues pruned to eliminate duplicates Z: 7 3.794 1.793 0.203 0.300 0.833 0.500 CA 1.077 7 residues pruned to eliminate duplicates Z: 31 13.401 1.865 0.529 0.347 0.800 0.600 CB 1.268 31 residues pruned to eliminate duplicates Z: 36 19.665 1.934 0.607 0.331 0.886 0.457 CB 1.452 34 residues pruned to eliminate duplicates Z: 6 6.275 1.757 0.849 0.335 0.800 0.600 CA 1.292 6 residues pruned to eliminate duplicates Z: 24 16.272 1.967 0.566 0.355 0.870 0.609 CB 1.481 24 residues pruned to eliminate duplicates Z: 37 16.780 1.909 0.569 0.339 0.889 0.389 CB 1.253 41 residues pruned to eliminate duplicates Z: 8 2.892 1.465 0.747 0.256 0.857 0.429 CB 0.659 8 residues pruned to eliminate duplicates Z: 38 18.235 1.927 0.621 0.333 0.892 0.568 CB 1.292 38 residues pruned to eliminate duplicates Z: 24 21.208 1.994 0.625 0.418 0.957 0.696 CB 1.555 24 residues pruned to eliminate duplicates Z: 30 17.313 1.892 0.606 0.357 0.897 0.586 CB 1.376 28 residues pruned to eliminate duplicates Z: 7 3.469 1.390 0.895 0.224 0.833 0.667 CA 0.891 7 residues pruned to eliminate duplicates Z: 12 6.568 1.679 0.555 0.376 0.727 0.364 CA 1.189 12 residues pruned to eliminate duplicates Z: 23 17.985 1.970 0.664 0.407 0.909 0.545 CB 1.418 23 residues pruned to eliminate duplicates Z: 23 18.592 2.017 0.582 0.421 0.909 0.636 CB 1.483 23 residues pruned to eliminate duplicates Z: 38 18.154 1.872 0.598 0.378 0.865 0.541 CB 1.313 38 residues pruned to eliminate duplicates Z: 10 7.400 1.882 0.502 0.345 0.889 0.444 CB 1.162 10 residues pruned to eliminate duplicates Z: 11 7.391 1.798 0.518 0.395 0.900 0.400 CB 1.063 11 residues pruned to eliminate duplicates Z: 13 7.746 1.735 0.762 0.340 0.667 0.417 CA 1.306 13 residues pruned to eliminate duplicates Z: 10 5.088 1.958 0.547 0.208 0.667 0.333 CB 1.187 10 residues pruned to eliminate duplicates Z: 31 16.390 1.932 0.670 0.323 0.800 0.500 CB 1.410 31 residues pruned to eliminate duplicates Z: 17 9.600 1.788 0.366 0.442 0.750 0.500 CB 1.391 Z: 10 10.724 1.709 0.394 0.852 0.889 0.778 CA 1.249 10 residues pruned to eliminate duplicates Z: 12 10.603 1.847 0.487 0.539 0.909 0.545 CB 1.233 11 residues pruned to eliminate duplicates Z: 9 13.243 1.801 0.441 0.847 1.000 0.125 CA 1.339 10 residues pruned to eliminate duplicates Z: 9 12.632 1.805 0.397 0.872 0.875 0.375 CA 1.475 9 residues pruned to eliminate duplicates 686 residues left after pruning, divided into chains as follows: A: 10 B: 62 C: 14 D: 12 E: 7 F: 31 G: 7 H: 9 I: 7 J: 15 K: 58 L: 11 M: 59 N: 13 O: 17 P: 30 Q: 6 R: 52 S: 46 T: 11 U: 44 V: 6 W: 96 X: 7 Y: 11 Z: 37 Z: 8 CC for partial structure against native data = 26.21 % ------------------------------------------------------------------------------ Global autotracing cycle 9 = 0.300, Contrast = 0.389, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.450, Connect. = 0.713 for dens.mod. cycle 2 = 0.300, Contrast = 0.530, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.754 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6544 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1317 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 29 23.095 2.205 0.617 0.414 0.857 0.643 CB 1.562 B: 11 17.657 2.001 0.904 0.828 0.800 0.700 CA 1.379 C: 20 17.872 1.967 0.227 0.890 0.947 0.789 CB 1.290 D: 11 12.656 2.011 0.504 0.833 0.800 0.500 CA 1.241 10 residues pruned to eliminate duplicates E: 16 18.453 2.126 0.278 0.879 1.000 0.667 CB 1.271 19 residues pruned to eliminate duplicates F: 10 14.410 2.013 0.693 0.905 0.889 0.778 CA 1.128 10 residues pruned to eliminate duplicates G: 22 38.579 2.248 0.504 0.926 1.000 0.857 CA 1.746 H: 12 17.500 2.079 0.581 0.842 0.818 0.545 CA 1.462 12 residues pruned to eliminate duplicates I: 15 21.521 2.152 0.309 0.929 1.000 0.857 CA 1.428 17 residues pruned to eliminate duplicates J: 21 38.282 2.346 0.495 0.898 1.000 0.700 CB 1.747 22 residues pruned to eliminate duplicates K: 22 31.696 2.233 0.416 0.911 0.952 0.952 CB 1.628 22 residues pruned to eliminate duplicates L: 22 34.816 2.194 0.639 0.902 0.952 0.762 CB 1.582 22 residues pruned to eliminate duplicates M: 21 36.030 2.287 0.762 0.879 0.850 0.600 CB 1.705 21 residues pruned to eliminate duplicates N: 21 25.301 1.909 0.486 0.899 0.900 0.850 CB 1.584 O: 16 24.146 2.132 0.534 0.911 1.000 0.933 CB 1.351 14 residues pruned to eliminate duplicates P: 18 29.437 2.101 0.712 0.918 1.000 0.647 CA 1.400 Q: 9 7.856 1.829 0.419 0.739 1.000 0.625 CB 0.864 R: 22 42.821 2.268 0.905 0.902 0.952 0.810 CB 1.620 22 residues pruned to eliminate duplicates S: 22 42.114 2.273 0.837 0.898 0.952 0.857 CB 1.653 22 residues pruned to eliminate duplicates T: 12 30.484 2.182 0.897 0.895 1.000 0.727 CA 1.591 11 residues pruned to eliminate duplicates U: 21 40.095 2.301 0.617 0.924 1.000 0.900 CB 1.692 21 residues pruned to eliminate duplicates V: 21 21.677 1.944 0.595 0.893 0.950 0.750 CA 1.181 21 residues pruned to eliminate duplicates W: 19 24.573 2.020 0.385 0.906 0.944 0.833 CB 1.559 19 residues pruned to eliminate duplicates X: 12 18.481 2.023 0.572 0.847 0.909 0.545 CA 1.432 12 residues pruned to eliminate duplicates Y: 48 41.012 2.051 0.810 0.699 0.936 0.489 CA 1.436 30 residues pruned to eliminate duplicates Z: 7 10.666 1.895 0.376 0.868 0.833 0.500 CB 1.465 Z: 64 46.405 2.168 0.721 0.597 0.937 0.635 CB 1.525 25 residues pruned to eliminate duplicates Z: 10 13.420 1.809 0.630 0.785 1.000 0.667 CA 1.180 Z: 13 11.409 2.007 0.684 0.400 0.917 0.583 CB 1.181 Z: 18 25.050 2.061 0.639 0.873 0.941 0.706 CA 1.392 18 residues pruned to eliminate duplicates Z: 19 18.758 1.957 0.839 0.671 0.778 0.389 CA 1.349 19 residues pruned to eliminate duplicates Z: 21 30.720 2.265 0.335 0.910 0.950 0.800 CB 1.696 21 residues pruned to eliminate duplicates Z: 10 8.678 1.635 0.750 0.496 0.778 0.556 CA 1.305 Z: 22 9.782 1.914 0.515 0.288 0.810 0.381 CB 1.154 Z: 30 13.742 2.019 0.500 0.352 0.828 0.586 CB 1.195 Z: 15 21.264 2.092 0.475 0.902 1.000 0.857 CA 1.314 15 residues pruned to eliminate duplicates Z: 13 14.565 1.928 0.485 0.469 1.000 1.000 N 1.515 Z: 17 17.910 1.949 0.151 0.910 1.000 0.875 CB 1.415 17 residues pruned to eliminate duplicates Z: 11 18.566 1.965 0.807 0.887 1.000 0.700 CB 1.192 11 residues pruned to eliminate duplicates Z: 15 16.043 1.913 0.898 0.509 0.857 0.714 CB 1.365 Z: 21 50.487 2.367 0.898 0.922 1.000 0.800 CB 1.767 21 residues pruned to eliminate duplicates Z: 14 11.230 1.579 0.649 0.518 0.923 0.692 CB 1.273 10 residues pruned to eliminate duplicates Z: 38 25.142 1.930 0.697 0.462 0.919 0.541 CA 1.428 26 residues pruned to eliminate duplicates Z: 19 11.258 1.786 0.591 0.393 0.833 0.500 CB 1.255 19 residues pruned to eliminate duplicates Z: 11 12.593 1.854 0.535 0.503 1.000 0.900 CB 1.395 Z: 17 27.155 2.135 0.619 0.918 1.000 0.875 CB 1.385 16 residues pruned to eliminate duplicates Z: 18 38.979 2.130 1.055 0.926 0.941 0.529 CB 1.610 18 residues pruned to eliminate duplicates Z: 22 36.707 2.245 0.739 0.899 0.905 0.524 CB 1.621 22 residues pruned to eliminate duplicates Z: 45 36.101 2.013 0.764 0.662 0.932 0.636 CA 1.415 45 residues pruned to eliminate duplicates Z: 22 56.264 2.262 1.256 0.905 1.000 0.619 CA 1.712 22 residues pruned to eliminate duplicates Z: 9 9.158 1.820 0.270 0.557 0.875 0.625 N 1.515 Z: 18 14.448 2.022 0.535 0.413 0.941 0.647 CB 1.313 18 residues pruned to eliminate duplicates Z: 28 18.881 1.967 0.324 0.617 0.926 0.704 CB 1.349 22 residues pruned to eliminate duplicates Z: 26 18.475 1.968 0.576 0.377 0.880 0.640 CB 1.543 Z: 10 7.153 1.380 0.453 0.800 0.889 0.778 O 1.029 Z: 21 49.429 2.362 0.802 0.925 1.000 0.750 CB 1.822 21 residues pruned to eliminate duplicates Z: 6 4.223 1.695 0.844 0.413 0.600 0.400 CA 1.103 Z: 9 10.209 1.826 0.448 0.876 0.875 0.750 CB 1.133 7 residues pruned to eliminate duplicates Z: 53 43.006 1.969 0.807 0.644 0.981 0.577 CB 1.494 47 residues pruned to eliminate duplicates Z: 19 20.504 2.017 0.448 0.876 1.000 0.889 CA 1.202 19 residues pruned to eliminate duplicates Z: 34 12.313 1.928 0.317 0.320 0.788 0.576 CB 1.308 Z: 76 48.236 2.144 0.758 0.546 0.933 0.533 CB 1.514 45 residues pruned to eliminate duplicates Z: 11 7.205 1.758 0.650 0.504 0.700 0.600 CB 1.118 Z: 10 12.056 1.934 0.380 0.443 1.000 0.556 N 1.596 9 residues pruned to eliminate duplicates Z: 18 9.654 1.929 0.244 0.320 0.882 0.529 CB 1.348 17 residues pruned to eliminate duplicates Z: 34 30.041 2.099 0.638 0.645 0.909 0.636 CA 1.461 35 residues pruned to eliminate duplicates Z: 9 12.089 2.006 0.335 0.864 0.875 0.875 CA 1.337 9 residues pruned to eliminate duplicates Z: 18 10.987 1.819 0.468 0.374 0.882 0.529 CB 1.294 Z: 21 19.775 2.158 0.862 0.369 0.800 0.650 CB 1.584 21 residues pruned to eliminate duplicates Z: 16 14.308 1.903 0.414 0.495 0.933 0.600 CA 1.479 14 residues pruned to eliminate duplicates Z: 60 39.298 2.169 0.736 0.503 0.898 0.644 CB 1.508 28 residues pruned to eliminate duplicates Z: 17 14.997 1.973 0.479 0.363 0.938 0.562 CB 1.589 Z: 39 15.949 1.867 0.613 0.299 0.789 0.553 CB 1.362 26 residues pruned to eliminate duplicates Z: 18 13.188 2.047 0.541 0.493 0.706 0.529 CB 1.446 Z: 23 22.118 1.935 0.641 0.575 0.909 0.682 CA 1.520 23 residues pruned to eliminate duplicates Z: 28 23.069 2.078 0.716 0.500 0.926 0.556 CB 1.345 26 residues pruned to eliminate duplicates Z: 19 23.917 2.025 0.528 0.909 1.000 0.833 CB 1.292 19 residues pruned to eliminate duplicates Z: 36 22.137 2.111 0.647 0.354 0.857 0.457 CB 1.471 36 residues pruned to eliminate duplicates Z: 30 17.453 1.978 0.550 0.432 0.862 0.586 CA 1.315 30 residues pruned to eliminate duplicates Z: 14 12.701 1.961 0.515 0.470 0.846 0.538 CA 1.445 Z: 17 25.903 2.049 0.736 0.874 0.938 0.812 CA 1.413 17 residues pruned to eliminate duplicates Z: 22 37.228 2.255 0.464 0.885 1.000 0.810 CB 1.778 22 residues pruned to eliminate duplicates Z: 10 19.962 2.156 0.678 0.898 0.778 0.667 CB 1.692 10 residues pruned to eliminate duplicates Z: 22 39.591 2.222 0.792 0.930 0.952 0.571 CB 1.594 22 residues pruned to eliminate duplicates Z: 62 46.233 2.060 0.781 0.618 0.918 0.623 CB 1.572 63 residues pruned to eliminate duplicates Z: 18 10.576 1.844 0.299 0.349 0.941 0.529 CB 1.340 18 residues pruned to eliminate duplicates Z: 13 5.810 1.872 0.072 0.359 0.750 0.417 CB 1.297 13 residues pruned to eliminate duplicates Z: 37 22.646 1.897 0.446 0.568 0.917 0.750 CA 1.405 34 residues pruned to eliminate duplicates Z: 17 23.240 2.003 0.434 0.909 1.000 0.812 CB 1.436 17 residues pruned to eliminate duplicates Z: 18 20.533 2.023 0.312 0.906 0.941 0.765 CB 1.417 18 residues pruned to eliminate duplicates Z: 12 18.435 1.732 0.508 0.918 1.000 0.909 CB 1.501 12 residues pruned to eliminate duplicates Z: 9 6.331 1.701 0.152 0.579 0.875 0.500 N 1.210 Z: 26 19.155 2.040 0.596 0.341 0.880 0.480 CA 1.589 27 residues pruned to eliminate duplicates Z: 8 10.097 1.815 0.083 0.851 1.000 0.714 CA 1.436 Z: 37 24.065 2.099 0.645 0.463 0.917 0.500 CB 1.316 37 residues pruned to eliminate duplicates Z: 16 10.438 2.051 0.331 0.415 0.800 0.600 CB 1.349 18 residues pruned to eliminate duplicates Z: 8 6.028 1.866 -0.147 0.655 1.000 0.714 N 1.239 8 residues pruned to eliminate duplicates Z: 30 11.098 1.945 0.397 0.287 0.759 0.517 CB 1.270 20 residues pruned to eliminate duplicates Z: 16 20.670 2.072 0.381 0.894 1.000 1.000 CA 1.338 16 residues pruned to eliminate duplicates Z: 15 10.059 2.138 0.070 0.482 0.786 0.643 CB 1.523 15 residues pruned to eliminate duplicates Z: 10 12.517 1.678 0.487 0.849 1.000 0.556 CA 1.240 8 residues pruned to eliminate duplicates Z: 20 28.288 2.019 0.509 0.881 0.947 0.737 CB 1.629 20 residues pruned to eliminate duplicates Z: 8 6.953 1.851 0.438 0.656 0.857 0.571 CB 0.997 8 residues pruned to eliminate duplicates Z: 57 38.141 2.058 0.640 0.619 0.929 0.482 CA 1.454 57 residues pruned to eliminate duplicates Z: 12 16.479 1.823 0.414 0.890 1.000 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 14 11.423 2.160 0.203 0.390 0.846 0.462 CB 1.618 13 residues pruned to eliminate duplicates Z: 69 43.015 2.183 0.624 0.542 0.971 0.500 CB 1.455 69 residues pruned to eliminate duplicates Z: 31 21.755 2.143 0.540 0.436 0.867 0.467 CB 1.483 31 residues pruned to eliminate duplicates Z: 11 5.203 1.717 0.119 0.404 0.700 0.500 CB 1.353 11 residues pruned to eliminate duplicates Z: 8 15.212 1.910 0.873 0.748 1.000 0.857 CA 1.287 Z: 7 4.498 1.632 0.447 0.525 0.667 0.667 CB 1.139 Z: 18 25.819 2.073 0.701 0.918 1.000 0.824 CB 1.252 18 residues pruned to eliminate duplicates Z: 28 12.171 1.925 0.396 0.309 0.815 0.481 CB 1.322 28 residues pruned to eliminate duplicates Z: 9 10.631 2.088 0.058 0.879 1.000 0.750 CB 1.234 Z: 21 31.316 2.109 0.640 0.816 0.900 0.800 CA 1.709 21 residues pruned to eliminate duplicates Z: 30 18.232 2.047 0.384 0.437 0.862 0.586 CB 1.479 30 residues pruned to eliminate duplicates Z: 11 10.978 1.880 0.108 0.823 1.000 0.800 CB 1.260 11 residues pruned to eliminate duplicates Z: 9 11.331 1.752 0.723 0.811 0.875 0.875 CA 1.158 10 residues pruned to eliminate duplicates Z: 39 20.998 2.028 0.608 0.407 0.921 0.447 CB 1.251 39 residues pruned to eliminate duplicates Z: 13 16.650 1.940 0.243 0.883 0.917 0.750 CA 1.572 13 residues pruned to eliminate duplicates Z: 14 14.267 1.812 0.705 0.503 0.923 0.615 CB 1.384 11 residues pruned to eliminate duplicates Z: 23 11.710 2.004 0.605 0.320 0.727 0.455 CB 1.301 Z: 14 8.308 1.785 0.491 0.451 0.923 0.615 CB 0.986 14 residues pruned to eliminate duplicates Z: 14 13.234 1.895 0.467 0.469 0.923 0.385 N 1.476 14 residues pruned to eliminate duplicates Z: 17 10.907 2.030 0.241 0.389 0.812 0.562 CB 1.499 11 residues pruned to eliminate duplicates Z: 17 22.289 2.078 0.469 0.918 1.000 0.875 CB 1.288 17 residues pruned to eliminate duplicates Z: 16 21.671 2.015 0.451 0.897 0.933 0.933 CA 1.468 16 residues pruned to eliminate duplicates Z: 9 12.557 1.765 0.566 0.872 1.000 0.625 CA 1.170 9 residues pruned to eliminate duplicates Z: 15 22.317 2.115 0.612 0.918 1.000 0.929 CA 1.233 15 residues pruned to eliminate duplicates Z: 35 28.796 2.040 0.664 0.595 0.971 0.676 CA 1.369 35 residues pruned to eliminate duplicates Z: 65 44.320 2.195 0.684 0.541 0.953 0.469 CB 1.511 65 residues pruned to eliminate duplicates Z: 9 4.929 1.667 0.468 0.535 0.875 0.625 CB 0.786 8 residues pruned to eliminate duplicates Z: 21 24.153 1.951 0.500 0.879 0.850 0.450 CB 1.575 21 residues pruned to eliminate duplicates Z: 33 20.252 1.988 0.711 0.439 0.969 0.500 CB 1.157 31 residues pruned to eliminate duplicates Z: 64 39.395 2.001 0.601 0.556 0.952 0.683 CA 1.540 37 residues pruned to eliminate duplicates Z: 11 12.200 1.872 0.655 0.649 0.900 0.700 CA 1.204 8 residues pruned to eliminate duplicates Z: 35 27.420 2.030 0.549 0.601 0.971 0.588 CA 1.399 35 residues pruned to eliminate duplicates Z: 9 5.884 1.439 0.157 0.839 0.875 0.625 O 1.067 9 residues pruned to eliminate duplicates Z: 8 4.722 1.646 0.304 0.475 0.857 0.571 CB 0.995 Z: 9 10.991 1.696 0.531 0.823 1.000 0.500 CA 1.131 9 residues pruned to eliminate duplicates Z: 22 21.122 1.826 0.556 0.852 1.000 0.476 CB 1.200 22 residues pruned to eliminate duplicates Z: 24 14.239 2.021 0.321 0.459 0.826 0.522 CA 1.404 23 residues pruned to eliminate duplicates Z: 8 5.969 1.763 0.362 0.564 0.857 0.571 CB 1.031 9 residues pruned to eliminate duplicates Z: 11 10.902 1.852 0.528 0.893 1.000 0.600 CB 0.875 10 residues pruned to eliminate duplicates Z: 23 20.836 2.106 0.200 0.648 0.955 0.591 CB 1.604 19 residues pruned to eliminate duplicates Z: 8 8.488 1.657 0.488 0.899 0.857 0.857 CA 1.085 8 residues pruned to eliminate duplicates Z: 13 7.481 1.707 0.325 0.407 0.833 0.500 CA 1.264 12 residues pruned to eliminate duplicates Z: 12 16.260 1.847 0.427 0.918 1.000 0.818 CB 1.312 22 residues pruned to eliminate duplicates Z: 12 9.777 2.083 0.349 0.387 0.818 0.636 CB 1.446 12 residues pruned to eliminate duplicates Z: 19 10.555 1.976 0.642 0.332 0.778 0.500 CB 1.185 19 residues pruned to eliminate duplicates Z: 14 7.076 1.714 0.520 0.438 0.692 0.538 CB 1.160 9 residues pruned to eliminate duplicates Z: 57 35.151 2.082 0.678 0.497 0.946 0.589 CB 1.424 57 residues pruned to eliminate duplicates Z: 33 20.718 2.061 0.545 0.425 0.844 0.562 CA 1.473 32 residues pruned to eliminate duplicates Z: 16 10.901 2.072 0.247 0.422 0.800 0.533 CB 1.478 16 residues pruned to eliminate duplicates Z: 10 11.427 1.697 0.387 0.829 1.000 0.667 CA 1.218 10 residues pruned to eliminate duplicates Z: 22 32.871 2.188 0.598 0.883 0.952 0.667 CB 1.557 22 residues pruned to eliminate duplicates Z: 12 8.864 1.565 0.631 0.608 0.909 0.636 CB 1.039 Z: 6 5.628 1.508 0.254 0.821 0.800 0.800 O 1.260 6 residues pruned to eliminate duplicates Z: 20 23.200 1.870 0.573 0.853 0.947 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 14 8.915 1.860 0.202 0.544 0.769 0.538 CB 1.377 14 residues pruned to eliminate duplicates Z: 12 10.863 1.896 0.397 0.599 0.818 0.545 CB 1.375 Z: 15 9.073 1.906 0.142 0.334 0.929 0.643 CA 1.438 15 residues pruned to eliminate duplicates Z: 20 11.782 1.995 0.457 0.277 0.842 0.579 CA 1.422 20 residues pruned to eliminate duplicates Z: 16 13.667 1.980 0.514 0.540 0.933 0.600 CA 1.213 16 residues pruned to eliminate duplicates Z: 10 6.183 1.827 0.503 0.489 0.778 0.556 CB 0.976 10 residues pruned to eliminate duplicates Z: 19 14.761 1.989 0.623 0.442 0.833 0.389 CB 1.373 19 residues pruned to eliminate duplicates Z: 8 11.982 1.728 0.459 0.650 1.000 0.857 CA 1.562 10 residues pruned to eliminate duplicates Z: 15 6.471 1.702 0.156 0.332 0.857 0.571 CA 1.233 15 residues pruned to eliminate duplicates Z: 19 18.444 1.908 0.380 0.845 0.944 0.778 CA 1.300 19 residues pruned to eliminate duplicates Z: 18 27.613 2.134 0.756 0.852 0.941 0.824 CB 1.405 18 residues pruned to eliminate duplicates Z: 24 12.775 1.952 0.322 0.434 0.913 0.652 CB 1.210 15 residues pruned to eliminate duplicates Z: 13 12.377 1.826 0.437 0.636 0.917 0.500 CB 1.308 12 residues pruned to eliminate duplicates Z: 17 25.330 2.237 0.634 0.672 0.938 0.750 CA 1.577 17 residues pruned to eliminate duplicates Z: 51 33.776 2.126 0.756 0.457 0.900 0.540 CB 1.486 51 residues pruned to eliminate duplicates Z: 14 13.827 1.972 0.500 0.654 0.692 0.538 CA 1.623 14 residues pruned to eliminate duplicates Z: 11 12.367 1.637 0.422 0.850 1.000 0.900 CB 1.245 11 residues pruned to eliminate duplicates Z: 6 7.321 1.910 0.336 0.835 0.800 0.800 CB 1.202 6 residues pruned to eliminate duplicates Z: 10 16.851 1.837 0.544 0.924 1.000 1.000 CB 1.392 10 residues pruned to eliminate duplicates Z: 18 8.059 1.884 0.226 0.276 0.882 0.353 CB 1.236 16 residues pruned to eliminate duplicates Z: 16 13.912 1.964 0.261 0.399 1.000 0.667 CB 1.613 20 residues pruned to eliminate duplicates Z: 6 2.539 1.539 0.494 0.292 0.600 0.600 CB 1.039 Z: 16 18.535 1.952 0.502 0.900 0.933 0.600 CB 1.249 16 residues pruned to eliminate duplicates Z: 14 9.765 1.837 0.669 0.503 0.846 0.462 CB 1.041 14 residues pruned to eliminate duplicates Z: 19 31.641 2.097 0.802 0.927 1.000 0.833 CA 1.383 19 residues pruned to eliminate duplicates Z: 13 10.171 1.843 0.320 0.591 0.833 0.500 CB 1.328 13 residues pruned to eliminate duplicates Z: 19 22.271 2.026 0.559 0.887 1.000 0.722 CA 1.198 19 residues pruned to eliminate duplicates Z: 13 7.945 1.809 0.246 0.437 0.833 0.500 CA 1.303 13 residues pruned to eliminate duplicates Z: 18 8.847 1.781 0.301 0.328 0.941 0.706 CB 1.189 Z: 55 29.386 2.091 0.555 0.458 0.870 0.593 CB 1.475 55 residues pruned to eliminate duplicates Z: 12 12.630 1.935 0.323 0.662 1.000 0.545 CB 1.280 13 residues pruned to eliminate duplicates Z: 9 7.102 1.595 0.283 0.530 1.000 0.625 N 1.191 5 residues pruned to eliminate duplicates Z: 29 12.860 1.953 0.395 0.374 0.786 0.500 CB 1.299 28 residues pruned to eliminate duplicates Z: 13 9.069 1.988 0.384 0.429 0.833 0.500 CA 1.230 13 residues pruned to eliminate duplicates Z: 8 2.180 1.561 -0.232 0.590 0.857 0.714 CB 0.736 Z: 7 5.793 1.666 0.756 0.684 1.000 0.833 CB 0.683 Z: 32 14.287 2.086 0.419 0.330 0.774 0.355 CB 1.350 32 residues pruned to eliminate duplicates Z: 7 6.083 1.837 0.557 0.501 0.833 0.833 CB 1.041 7 residues pruned to eliminate duplicates Z: 20 21.444 2.069 0.882 0.431 0.947 0.632 CB 1.432 20 residues pruned to eliminate duplicates Z: 11 6.198 1.964 0.180 0.413 0.700 0.500 CB 1.323 11 residues pruned to eliminate duplicates Z: 8 7.221 1.769 0.497 0.714 0.857 0.714 CB 0.991 8 residues pruned to eliminate duplicates Z: 16 10.806 1.924 0.340 0.445 1.000 0.600 CA 1.146 16 residues pruned to eliminate duplicates Z: 6 5.152 1.319 0.596 0.764 1.000 1.000 CA 0.865 Z: 12 6.576 1.763 0.330 0.494 0.727 0.455 CB 1.170 Z: 55 38.263 2.128 0.650 0.536 0.926 0.407 CB 1.545 55 residues pruned to eliminate duplicates Z: 16 9.882 1.833 0.588 0.344 0.867 0.667 CB 1.198 16 residues pruned to eliminate duplicates Z: 8 5.337 1.691 0.383 0.238 0.857 0.429 CA 1.364 8 residues pruned to eliminate duplicates Z: 17 15.244 1.969 0.470 0.368 0.938 0.500 CB 1.618 17 residues pruned to eliminate duplicates Z: 22 15.511 2.041 0.449 0.485 0.857 0.571 CB 1.355 22 residues pruned to eliminate duplicates Z: 16 17.571 2.055 0.740 0.457 0.867 0.667 CA 1.530 16 residues pruned to eliminate duplicates Z: 10 8.935 1.631 0.675 0.477 0.889 0.556 CA 1.255 Z: 22 20.674 1.875 0.839 0.575 0.857 0.571 CA 1.420 22 residues pruned to eliminate duplicates Z: 20 26.940 1.996 0.602 0.925 0.947 0.474 CA 1.432 20 residues pruned to eliminate duplicates Z: 12 5.414 1.532 0.251 0.452 1.000 0.455 CB 0.894 12 residues pruned to eliminate duplicates Z: 22 43.516 2.251 0.765 0.928 1.000 0.667 CB 1.674 22 residues pruned to eliminate duplicates Z: 9 8.150 1.824 0.931 0.448 0.625 0.375 CA 1.380 9 residues pruned to eliminate duplicates Z: 32 17.221 2.015 0.448 0.406 0.871 0.548 CB 1.343 27 residues pruned to eliminate duplicates Z: 13 14.404 1.886 0.370 0.814 1.000 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 10 6.419 1.712 0.334 0.726 0.778 0.444 CB 0.983 10 residues pruned to eliminate duplicates Z: 22 14.144 1.935 0.493 0.349 0.905 0.476 CB 1.391 Z: 6 3.653 1.468 -0.114 0.693 1.000 0.600 N 1.052 6 residues pruned to eliminate duplicates Z: 8 7.927 1.964 -0.091 0.813 1.000 0.714 CB 1.277 8 residues pruned to eliminate duplicates Z: 12 6.671 1.769 0.510 0.332 0.909 0.727 CB 0.995 Z: 21 30.554 1.903 0.943 0.902 1.000 0.750 CA 1.318 21 residues pruned to eliminate duplicates Z: 13 15.665 1.942 0.465 0.503 1.000 0.750 N 1.584 13 residues pruned to eliminate duplicates Z: 11 10.770 2.001 0.395 0.500 1.000 0.700 CA 1.221 12 residues pruned to eliminate duplicates Z: 6 6.626 1.945 -0.004 0.569 1.000 0.800 N 1.430 Z: 22 46.182 2.259 1.001 0.888 1.000 0.619 CB 1.607 22 residues pruned to eliminate duplicates Z: 62 42.946 2.019 0.757 0.628 0.902 0.525 CB 1.525 62 residues pruned to eliminate duplicates Z: 9 10.160 1.660 0.535 0.763 1.000 0.625 CB 1.115 8 residues pruned to eliminate duplicates Z: 11 13.141 1.837 0.264 0.839 1.000 0.700 CA 1.337 11 residues pruned to eliminate duplicates Z: 13 11.946 1.880 0.287 0.621 1.000 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 82 41.211 2.118 0.562 0.497 0.938 0.642 CB 1.479 121 residues pruned to eliminate duplicates Z: 6 4.722 1.440 0.734 0.360 1.000 0.400 CB 0.984 Z: 20 11.113 1.888 0.340 0.364 0.895 0.632 CA 1.303 21 residues pruned to eliminate duplicates Z: 32 15.004 1.960 0.545 0.380 0.839 0.484 CB 1.206 32 residues pruned to eliminate duplicates Z: 15 6.998 1.793 0.589 0.219 0.643 0.286 CA 1.420 15 residues pruned to eliminate duplicates Z: 7 9.749 1.777 0.352 0.656 1.000 0.667 O 1.433 Z: 18 14.669 1.966 0.454 0.340 0.941 0.588 CA 1.574 18 residues pruned to eliminate duplicates Z: 19 23.686 2.021 0.685 0.899 0.833 0.500 CA 1.407 19 residues pruned to eliminate duplicates Z: 14 7.771 1.698 0.416 0.410 0.923 0.462 CB 1.067 13 residues pruned to eliminate duplicates Z: 40 41.132 2.274 0.713 0.664 0.949 0.667 CB 1.531 40 residues pruned to eliminate duplicates Z: 13 13.922 2.016 0.680 0.512 0.833 0.583 CB 1.408 13 residues pruned to eliminate duplicates Z: 8 4.072 1.591 0.085 0.468 0.714 0.429 O 1.290 Z: 12 6.285 1.616 0.709 0.387 0.818 0.545 CB 0.945 Z: 18 26.817 1.983 0.671 0.926 0.941 0.647 CB 1.462 18 residues pruned to eliminate duplicates Z: 9 4.864 1.413 0.822 0.466 0.750 0.375 CA 0.922 Z: 7 2.277 1.314 0.183 0.317 0.833 0.667 CB 0.879 Z: 9 10.592 1.701 0.995 0.540 0.875 0.500 CB 1.212 10 residues pruned to eliminate duplicates Z: 38 25.649 1.996 0.720 0.564 0.865 0.514 CA 1.335 38 residues pruned to eliminate duplicates Z: 28 20.506 2.026 0.630 0.508 0.926 0.593 CB 1.280 28 residues pruned to eliminate duplicates Z: 33 16.539 1.984 0.498 0.372 0.844 0.500 CB 1.336 46 residues pruned to eliminate duplicates Z: 8 5.516 1.768 0.183 0.872 0.857 0.857 CB 0.847 7 residues pruned to eliminate duplicates Z: 12 12.005 1.748 0.568 0.653 1.000 0.909 CA 1.145 11 residues pruned to eliminate duplicates Z: 9 4.004 1.632 0.338 0.240 0.625 0.375 N 1.401 9 residues pruned to eliminate duplicates Z: 11 15.425 2.123 0.517 0.560 1.000 0.800 CA 1.429 11 residues pruned to eliminate duplicates Z: 7 10.273 2.076 0.682 0.260 1.000 0.833 CA 1.580 Z: 61 39.056 2.168 0.520 0.562 0.967 0.633 CB 1.490 61 residues pruned to eliminate duplicates Z: 48 46.410 2.261 0.630 0.630 1.000 0.553 CB 1.625 48 residues pruned to eliminate duplicates Z: 21 10.422 1.761 0.318 0.367 0.900 0.400 CB 1.287 21 residues pruned to eliminate duplicates Z: 15 5.537 1.722 0.619 0.325 0.786 0.571 CB 0.819 15 residues pruned to eliminate duplicates Z: 18 7.152 1.819 0.463 0.274 0.765 0.412 CB 1.101 18 residues pruned to eliminate duplicates Z: 10 6.658 1.812 0.343 0.351 0.889 0.444 CB 1.205 10 residues pruned to eliminate duplicates Z: 11 15.491 1.744 0.803 0.659 1.000 0.900 CA 1.344 9 residues pruned to eliminate duplicates Z: 43 22.241 2.002 0.518 0.447 0.952 0.619 CB 1.251 45 residues pruned to eliminate duplicates Z: 18 29.202 2.112 0.671 0.898 1.000 0.824 CA 1.435 18 residues pruned to eliminate duplicates Z: 9 6.296 1.596 0.450 0.389 1.000 0.500 N 1.082 9 residues pruned to eliminate duplicates Z: 19 22.072 1.867 0.419 0.877 1.000 0.778 CB 1.425 18 residues pruned to eliminate duplicates Z: 55 41.540 2.161 0.638 0.592 0.963 0.537 CB 1.518 55 residues pruned to eliminate duplicates Z: 7 3.606 1.610 0.197 0.441 0.833 0.500 CA 0.974 Z: 12 4.699 1.937 0.099 0.271 0.818 0.364 CB 1.055 12 residues pruned to eliminate duplicates 7 1.316 1.525 0.332 0.228 0.667 0.333 CA 0.545 ? Z: 6 5.393 1.699 0.665 0.574 0.800 0.800 CB 0.992 6 residues pruned to eliminate duplicates Z: 9 10.808 1.660 0.507 0.804 1.000 0.625 CA 1.172 9 residues pruned to eliminate duplicates Z: 17 24.228 2.043 0.628 0.912 1.000 0.875 CA 1.290 17 residues pruned to eliminate duplicates Z: 26 16.070 1.952 0.460 0.401 0.880 0.600 CA 1.422 28 residues pruned to eliminate duplicates Z: 7 2.120 1.488 0.154 0.335 0.667 0.333 CB 0.905 Z: 31 15.716 1.882 0.568 0.408 0.833 0.600 CB 1.285 33 residues pruned to eliminate duplicates Z: 12 17.453 1.873 0.355 0.928 1.000 0.909 CA 1.452 12 residues pruned to eliminate duplicates Z: 27 17.417 1.982 0.526 0.423 0.923 0.500 CB 1.325 25 residues pruned to eliminate duplicates Z: 25 14.100 1.947 0.429 0.407 0.875 0.583 CB 1.303 28 residues pruned to eliminate duplicates Z: 62 43.755 2.178 0.601 0.564 0.967 0.557 CB 1.560 62 residues pruned to eliminate duplicates Z: 14 5.987 1.674 0.251 0.355 0.846 0.615 CB 1.095 14 residues pruned to eliminate duplicates Z: 18 9.753 1.939 0.262 0.330 0.882 0.588 CB 1.320 18 residues pruned to eliminate duplicates Z: 19 7.752 1.892 0.568 0.270 0.722 0.556 CB 1.108 8 residues pruned to eliminate duplicates Z: 20 26.477 2.010 0.524 0.922 0.947 0.737 CB 1.473 20 residues pruned to eliminate duplicates Z: 9 3.526 1.565 0.223 0.438 0.625 0.375 CB 1.111 Z: 12 13.872 1.933 0.419 0.653 1.000 0.545 CB 1.322 12 residues pruned to eliminate duplicates Z: 11 11.936 1.819 0.455 0.473 1.000 0.500 N 1.466 11 residues pruned to eliminate duplicates Z: 44 26.221 1.955 0.494 0.556 0.930 0.674 CA 1.393 44 residues pruned to eliminate duplicates Z: 22 27.263 1.902 0.742 0.882 0.905 0.619 CB 1.436 22 residues pruned to eliminate duplicates Z: 10 6.144 1.793 0.280 0.444 1.000 0.556 CB 0.945 11 residues pruned to eliminate duplicates Z: 15 12.152 2.195 0.814 0.288 0.857 0.357 CB 1.208 15 residues pruned to eliminate duplicates Z: 27 13.881 2.022 0.485 0.329 0.808 0.615 CB 1.353 Z: 6 4.356 1.380 0.020 0.778 1.000 0.800 N 1.082 Z: 13 10.130 1.839 0.395 0.348 0.917 0.500 CB 1.466 13 residues pruned to eliminate duplicates Z: 21 8.272 1.742 0.432 0.354 0.850 0.600 CB 1.022 21 residues pruned to eliminate duplicates Z: 10 10.197 1.949 0.638 0.376 0.889 0.556 CB 1.367 8 residues pruned to eliminate duplicates Z: 18 9.991 1.657 0.615 0.410 0.882 0.529 CB 1.127 17 residues pruned to eliminate duplicates Z: 13 7.489 1.774 0.661 0.294 0.833 0.417 CB 1.109 13 residues pruned to eliminate duplicates Z: 19 29.714 2.028 0.920 0.902 1.000 0.778 CB 1.283 19 residues pruned to eliminate duplicates Z: 24 14.204 2.009 0.477 0.359 0.826 0.565 CB 1.407 24 residues pruned to eliminate duplicates Z: 6 5.460 1.752 0.627 0.617 0.800 0.600 CA 0.958 6 residues pruned to eliminate duplicates Z: 8 10.803 1.903 0.563 0.583 0.857 0.571 CB 1.478 9 residues pruned to eliminate duplicates Z: 27 7.981 1.923 0.387 0.233 0.654 0.385 CB 1.225 18 residues pruned to eliminate duplicates Z: 33 22.959 1.876 0.465 0.610 0.906 0.594 CB 1.467 33 residues pruned to eliminate duplicates Z: 103 42.224 2.103 0.557 0.481 0.892 0.578 CB 1.459 49 residues pruned to eliminate duplicates Z: 19 9.190 1.910 0.304 0.280 0.833 0.389 CA 1.338 19 residues pruned to eliminate duplicates Z: 36 32.307 2.126 0.734 0.632 0.943 0.714 CA 1.388 36 residues pruned to eliminate duplicates Z: 21 8.782 1.883 0.405 0.204 0.850 0.400 CB 1.241 21 residues pruned to eliminate duplicates Z: 11 14.313 1.777 0.469 0.824 0.900 0.800 CA 1.455 11 residues pruned to eliminate duplicates Z: 7 2.775 1.667 0.024 0.383 0.833 0.500 CB 0.902 7 1.298 1.540 -0.180 0.275 0.833 0.167 CB 0.649 ? Z: 6 7.634 1.917 0.570 0.643 1.000 0.200 CA 0.992 6 residues pruned to eliminate duplicates Z: 40 22.179 2.023 0.541 0.433 0.795 0.385 CA 1.536 40 residues pruned to eliminate duplicates Z: 16 7.574 1.763 0.348 0.422 0.867 0.533 CB 1.031 16 residues pruned to eliminate duplicates Z: 34 17.719 1.934 0.506 0.359 0.879 0.606 CA 1.403 34 residues pruned to eliminate duplicates Z: 8 7.702 1.408 0.748 0.741 0.857 0.571 CA 1.113 8 residues pruned to eliminate duplicates Z: 8 8.401 1.704 0.757 0.549 0.857 0.714 CA 1.180 Z: 10 8.114 1.677 0.352 0.890 1.000 1.000 CB 0.858 10 residues pruned to eliminate duplicates Z: 10 5.371 1.659 0.157 0.428 0.889 0.333 CB 1.130 10 residues pruned to eliminate duplicates Z: 20 13.792 1.873 0.453 0.395 0.895 0.526 CB 1.453 20 residues pruned to eliminate duplicates Z: 6 4.866 1.881 0.481 0.545 0.800 0.400 CA 0.935 6 residues pruned to eliminate duplicates Z: 7 3.738 1.671 -0.032 0.699 0.833 0.833 CA 0.944 7 residues pruned to eliminate duplicates Z: 33 30.238 1.967 0.840 0.647 0.906 0.562 CB 1.420 33 residues pruned to eliminate duplicates Z: 12 11.454 1.810 0.600 0.399 1.000 0.455 CB 1.326 12 residues pruned to eliminate duplicates Z: 15 6.746 1.785 0.647 0.328 0.643 0.357 CA 1.152 15 residues pruned to eliminate duplicates Z: 19 20.536 1.971 0.702 0.904 0.944 0.667 CB 1.089 19 residues pruned to eliminate duplicates Z: 22 22.611 1.804 0.538 0.909 0.952 0.619 CB 1.325 22 residues pruned to eliminate duplicates Z: 10 6.808 1.698 0.443 0.430 0.778 0.667 N 1.281 10 residues pruned to eliminate duplicates Z: 8 7.348 1.587 0.232 0.890 1.000 0.714 CA 1.022 8 residues pruned to eliminate duplicates Z: 19 26.417 2.015 0.833 0.867 0.944 0.556 CA 1.307 19 residues pruned to eliminate duplicates Z: 12 3.970 1.516 0.329 0.190 0.727 0.182 CB 1.185 Z: 7 3.463 1.641 -0.364 0.655 1.000 0.500 C 1.172 5 residues pruned to eliminate duplicates Z: 7 9.202 1.695 0.566 0.407 1.000 0.333 CA 1.561 7 residues pruned to eliminate duplicates Z: 6 5.739 1.655 0.031 0.825 1.000 0.600 CB 1.135 6 residues pruned to eliminate duplicates Z: 10 10.613 1.633 0.434 0.862 1.000 0.778 CA 1.109 10 residues pruned to eliminate duplicates Z: 24 20.164 2.113 0.781 0.384 0.913 0.565 CB 1.384 24 residues pruned to eliminate duplicates Z: 22 12.158 2.055 0.423 0.342 0.810 0.429 CB 1.330 22 residues pruned to eliminate duplicates Z: 19 10.382 1.874 0.369 0.379 0.833 0.611 CA 1.301 19 residues pruned to eliminate duplicates Z: 16 26.179 2.121 0.509 0.922 0.933 0.733 CB 1.592 16 residues pruned to eliminate duplicates Z: 20 8.192 1.874 0.444 0.233 0.684 0.421 CA 1.386 20 residues pruned to eliminate duplicates Z: 7 2.627 1.581 -0.089 0.480 0.667 0.500 C 1.140 Z: 21 9.005 1.830 0.273 0.307 0.850 0.500 CA 1.260 21 residues pruned to eliminate duplicates Z: 8 8.816 1.584 0.288 0.820 1.000 0.857 CB 1.237 Z: 9 9.356 1.723 0.695 0.595 0.750 0.625 CA 1.379 9 residues pruned to eliminate duplicates Z: 23 17.530 2.046 0.690 0.404 0.909 0.455 CB 1.315 23 residues pruned to eliminate duplicates Z: 9 8.033 2.095 0.592 0.337 0.750 0.625 CA 1.357 7 residues pruned to eliminate duplicates Z: 8 12.369 1.855 0.821 0.676 0.857 0.857 C 1.374 8 residues pruned to eliminate duplicates Z: 11 14.312 1.859 0.269 0.897 1.000 0.900 CA 1.373 11 residues pruned to eliminate duplicates Z: 27 17.755 1.964 0.551 0.493 0.923 0.654 CA 1.248 27 residues pruned to eliminate duplicates Z: 9 8.011 1.875 0.106 0.859 0.875 0.500 CA 1.149 9 residues pruned to eliminate duplicates Z: 12 16.161 2.016 0.508 0.865 0.909 0.364 CA 1.292 12 residues pruned to eliminate duplicates Z: 10 8.056 1.657 0.642 0.730 0.667 0.333 CA 1.203 10 residues pruned to eliminate duplicates Z: 8 11.195 2.185 -0.014 0.849 1.000 0.857 CB 1.456 8 residues pruned to eliminate duplicates Z: 13 13.033 1.662 0.682 0.582 1.000 0.750 CA 1.244 13 residues pruned to eliminate duplicates Z: 19 30.745 2.055 0.754 0.917 1.000 0.833 CA 1.419 19 residues pruned to eliminate duplicates Z: 8 8.449 1.713 0.833 0.571 0.857 0.714 CA 1.107 8 residues pruned to eliminate duplicates Z: 6 6.200 1.354 0.857 0.682 0.800 0.800 O 1.166 Z: 28 11.136 1.998 0.350 0.249 0.778 0.481 CB 1.364 28 residues pruned to eliminate duplicates Z: 6 3.941 1.712 0.493 0.640 0.800 0.600 CB 0.756 Z: 10 7.622 1.685 0.539 0.764 1.000 0.556 CB 0.775 10 residues pruned to eliminate duplicates Z: 31 17.626 1.911 0.518 0.409 0.900 0.500 CB 1.356 31 residues pruned to eliminate duplicates Z: 15 12.658 1.917 0.412 0.479 1.000 0.643 CA 1.277 15 residues pruned to eliminate duplicates Z: 6 3.131 1.775 -0.039 0.663 0.800 0.600 CB 0.883 6 residues pruned to eliminate duplicates Z: 31 12.886 1.868 0.393 0.313 0.867 0.500 CB 1.282 32 residues pruned to eliminate duplicates Z: 34 27.106 2.128 0.519 0.493 0.939 0.606 CB 1.565 34 residues pruned to eliminate duplicates Z: 38 27.024 1.937 0.755 0.473 0.973 0.622 CA 1.381 38 residues pruned to eliminate duplicates Z: 20 32.089 2.071 0.790 0.919 0.947 0.737 CA 1.477 20 residues pruned to eliminate duplicates Z: 9 2.124 1.276 0.232 0.186 0.875 0.625 N 0.796 Z: 6 3.503 1.530 0.221 0.307 0.800 0.200 N 1.300 Z: 9 5.417 1.734 0.681 0.284 1.000 0.625 CA 0.838 9 residues pruned to eliminate duplicates Z: 7 3.883 1.429 0.156 0.531 0.833 0.667 N 1.117 Z: 17 11.431 1.872 0.393 0.473 0.875 0.562 CB 1.287 17 residues pruned to eliminate duplicates Z: 10 5.466 1.709 -0.005 0.455 1.000 0.444 CB 1.121 Z: 9 10.791 1.788 0.269 0.915 1.000 0.875 CB 1.188 9 residues pruned to eliminate duplicates Z: 27 17.184 2.008 0.496 0.403 0.846 0.577 CB 1.468 27 residues pruned to eliminate duplicates Z: 9 6.078 1.514 0.617 0.456 0.875 0.625 CB 1.049 Z: 6 4.764 1.832 0.209 0.464 0.800 0.600 CA 1.247 7 residues pruned to eliminate duplicates Z: 9 4.969 1.400 0.697 0.589 0.875 0.375 CA 0.776 9 residues pruned to eliminate duplicates Z: 6 3.739 1.868 0.216 0.282 0.800 0.800 CA 1.177 6 1.344 1.214 0.344 0.572 1.000 0.800 CB 0.343 ? Z: 9 10.699 1.782 0.752 0.640 0.875 0.625 CB 1.214 9 residues pruned to eliminate duplicates 6 0.776 1.642 0.167 0.297 0.400 0.400 CB 0.568 ? Z: 18 28.455 1.972 0.703 0.895 1.000 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 19 9.537 1.740 0.459 0.483 0.889 0.611 CA 1.013 12 residues pruned to eliminate duplicates Z: 25 11.907 1.918 0.402 0.466 0.750 0.708 CB 1.247 25 residues pruned to eliminate duplicates Z: 10 7.259 1.708 0.201 0.465 1.000 0.444 CA 1.221 10 residues pruned to eliminate duplicates Z: 8 2.340 1.512 0.707 0.210 0.571 0.429 CB 0.844 Z: 8 6.747 1.729 0.334 0.573 0.857 0.857 CA 1.202 6 residues pruned to eliminate duplicates Z: 10 6.272 1.536 0.806 0.436 0.778 0.444 CB 1.036 10 residues pruned to eliminate duplicates Z: 11 4.409 1.821 0.305 0.270 0.700 0.300 N 1.089 Z: 9 9.314 1.643 0.196 0.729 1.000 0.500 CA 1.364 9 residues pruned to eliminate duplicates Z: 11 7.288 1.899 0.399 0.371 0.800 0.400 CB 1.245 12 residues pruned to eliminate duplicates Z: 17 20.654 2.115 0.466 0.637 0.938 0.812 CB 1.563 17 residues pruned to eliminate duplicates Z: 6 6.607 1.664 0.858 0.511 1.000 0.800 CB 0.946 Z: 8 3.296 1.454 -0.035 0.448 0.857 0.571 CA 1.093 Z: 7 4.088 1.584 -0.114 0.636 1.000 0.667 CB 1.046 Z: 39 28.021 1.926 0.624 0.607 0.895 0.500 CB 1.466 39 residues pruned to eliminate duplicates Z: 21 23.624 1.949 0.455 0.916 0.950 0.700 CA 1.385 18 residues pruned to eliminate duplicates Z: 14 8.911 1.989 0.318 0.425 0.846 0.692 CB 1.205 14 residues pruned to eliminate duplicates Z: 7 11.581 1.796 0.810 0.715 1.000 0.833 CB 1.197 7 residues pruned to eliminate duplicates Z: 6 4.790 1.361 0.633 0.547 1.000 0.600 CB 0.920 Z: 6 4.675 1.616 0.710 0.413 0.800 0.600 CB 1.035 5 residues pruned to eliminate duplicates Z: 10 5.591 1.651 0.342 0.550 0.889 0.778 CB 0.901 9 residues pruned to eliminate duplicates Z: 9 12.068 1.785 0.563 0.677 0.875 0.875 CA 1.486 9 residues pruned to eliminate duplicates Z: 6 5.258 1.936 0.779 0.206 0.800 0.200 CA 1.208 6 residues pruned to eliminate duplicates Z: 18 18.828 1.830 0.710 0.845 0.941 0.412 CB 1.153 18 residues pruned to eliminate duplicates Z: 7 11.882 1.782 0.537 0.857 1.000 0.833 CB 1.304 7 residues pruned to eliminate duplicates 6 1.278 1.660 -0.333 0.100 0.800 0.200 CB 1.075 ? Z: 11 11.123 1.955 0.345 0.798 0.900 0.800 CA 1.145 11 residues pruned to eliminate duplicates Z: 17 20.520 1.945 0.449 0.589 1.000 0.688 CB 1.671 17 residues pruned to eliminate duplicates Z: 13 11.192 1.964 0.296 0.446 0.833 0.750 CA 1.610 13 residues pruned to eliminate duplicates Z: 19 10.871 1.831 0.434 0.382 0.778 0.444 CA 1.423 19 residues pruned to eliminate duplicates Z: 28 20.753 1.861 0.645 0.617 0.926 0.481 CA 1.262 28 residues pruned to eliminate duplicates Z: 8 6.584 1.662 0.142 0.657 1.000 0.857 CB 1.134 8 residues pruned to eliminate duplicates Z: 7 6.953 1.932 0.642 0.297 1.000 0.500 CA 1.122 7 residues pruned to eliminate duplicates Z: 13 12.901 1.944 0.370 0.411 1.000 0.500 N 1.536 13 residues pruned to eliminate duplicates Z: 11 14.759 2.011 0.680 0.518 0.900 0.700 CA 1.508 11 residues pruned to eliminate duplicates Z: 6 2.222 1.236 0.316 0.518 0.600 0.600 C 0.999 Z: 17 13.228 1.815 0.757 0.481 0.875 0.625 CB 1.208 22 residues pruned to eliminate duplicates Z: 9 12.119 1.784 0.864 0.569 0.875 0.750 C 1.377 9 residues pruned to eliminate duplicates Z: 8 6.162 1.692 0.651 0.283 0.857 0.429 CB 1.242 8 residues pruned to eliminate duplicates Z: 30 15.509 1.932 0.528 0.365 0.828 0.552 CA 1.363 30 residues pruned to eliminate duplicates Z: 10 6.826 1.814 0.427 0.329 0.778 0.444 CB 1.364 10 residues pruned to eliminate duplicates Z: 32 21.214 1.983 0.610 0.516 0.935 0.613 CB 1.255 32 residues pruned to eliminate duplicates Z: 10 6.294 1.744 0.439 0.303 0.778 0.556 CB 1.338 10 residues pruned to eliminate duplicates Z: 46 24.937 2.083 0.585 0.436 0.911 0.511 CB 1.320 46 residues pruned to eliminate duplicates Z: 102 40.397 2.092 0.625 0.463 0.901 0.545 CB 1.362 102 residues pruned to eliminate duplicates Z: 13 10.727 1.973 0.424 0.358 0.917 0.667 CB 1.402 13 residues pruned to eliminate duplicates Z: 37 34.098 1.979 0.713 0.654 0.917 0.528 CB 1.585 37 residues pruned to eliminate duplicates Z: 6 3.959 1.527 0.287 0.478 0.800 0.600 CA 1.151 6 residues pruned to eliminate duplicates Z: 11 2.280 1.388 0.306 0.152 0.600 0.400 C 1.016 Z: 11 12.432 1.735 0.622 0.559 1.000 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 6 3.549 1.788 0.261 0.519 0.800 0.600 CB 0.863 Z: 7 2.492 1.637 -0.048 0.271 0.833 0.333 CB 1.015 Z: 7 5.738 1.719 0.507 0.310 0.833 0.500 N 1.340 Z: 9 4.462 1.381 0.464 0.508 0.875 0.375 CB 0.885 Z: 10 11.323 1.703 0.878 0.917 0.889 0.667 CB 0.937 11 residues pruned to eliminate duplicates Z: 16 7.825 1.829 0.740 0.308 0.800 0.467 CB 0.982 10 residues pruned to eliminate duplicates Z: 21 14.321 1.988 0.553 0.478 0.850 0.450 CB 1.248 21 residues pruned to eliminate duplicates Z: 19 8.644 1.884 0.414 0.300 0.778 0.500 CB 1.229 19 residues pruned to eliminate duplicates Z: 14 9.124 1.868 0.300 0.404 1.000 0.692 CA 1.153 14 residues pruned to eliminate duplicates Z: 9 2.588 1.687 0.281 0.216 0.625 0.375 CB 0.945 9 residues pruned to eliminate duplicates Z: 10 6.430 1.873 0.563 0.398 0.667 0.444 CB 1.223 9 residues pruned to eliminate duplicates Z: 7 5.814 1.956 0.301 0.879 0.667 0.333 CB 1.014 7 residues pruned to eliminate duplicates Z: 6 2.950 1.402 0.687 0.451 0.800 0.600 CB 0.734 Z: 19 9.487 1.957 0.626 0.240 0.667 0.389 CB 1.425 19 residues pruned to eliminate duplicates Z: 28 11.534 1.948 0.334 0.365 0.741 0.407 CB 1.334 28 residues pruned to eliminate duplicates Z: 6 4.714 1.366 0.511 0.813 1.000 0.800 CA 0.778 Z: 30 18.569 1.875 0.376 0.530 0.897 0.621 CB 1.446 30 residues pruned to eliminate duplicates Z: 9 6.294 1.700 0.582 0.278 1.000 0.750 CA 1.064 9 residues pruned to eliminate duplicates Z: 13 7.153 1.747 0.433 0.437 0.750 0.167 CB 1.174 11 residues pruned to eliminate duplicates Z: 9 2.880 1.562 0.420 0.118 0.875 0.625 CB 0.849 8 residues pruned to eliminate duplicates Z: 38 14.563 1.869 0.454 0.355 0.838 0.486 CB 1.230 38 residues pruned to eliminate duplicates Z: 8 3.072 1.369 0.643 0.340 0.714 0.286 CB 0.860 Z: 8 5.680 1.543 0.636 0.600 0.857 0.714 CB 0.902 8 residues pruned to eliminate duplicates Z: 21 54.315 2.278 1.190 0.935 1.000 0.350 CB 1.697 21 residues pruned to eliminate duplicates Z: 10 12.123 2.066 0.639 0.588 0.778 0.667 CA 1.411 10 residues pruned to eliminate duplicates Z: 19 9.706 1.796 0.163 0.591 0.944 0.611 CB 1.063 16 residues pruned to eliminate duplicates Z: 6 2.010 1.314 0.175 0.484 0.600 0.600 CB 0.986 Z: 13 2.515 1.633 0.248 0.356 0.583 0.417 CB 0.713 13 residues pruned to eliminate duplicates Z: 6 4.227 1.631 -0.021 0.411 1.000 0.600 O 1.300 Z: 7 6.666 1.607 0.805 0.365 0.833 0.500 O 1.302 7 residues pruned to eliminate duplicates Z: 13 3.828 1.565 0.337 0.221 0.750 0.417 CB 0.977 13 residues pruned to eliminate duplicates Z: 7 5.472 1.777 0.215 0.600 0.833 0.500 CB 1.129 7 residues pruned to eliminate duplicates Z: 11 9.495 1.865 0.120 0.581 1.000 0.600 CB 1.329 11 residues pruned to eliminate duplicates Z: 14 7.680 1.661 0.727 0.432 0.692 0.615 CA 1.151 14 residues pruned to eliminate duplicates Z: 11 4.299 1.608 -0.061 0.528 0.900 0.500 CB 0.973 10 residues pruned to eliminate duplicates 7 1.546 1.290 0.085 0.300 0.667 0.333 CB 0.846 ? Z: 23 12.646 1.788 0.695 0.405 0.818 0.409 CB 1.202 24 residues pruned to eliminate duplicates Z: 15 3.978 1.737 0.011 0.188 0.786 0.429 CB 1.121 15 residues pruned to eliminate duplicates Z: 23 14.607 1.996 0.487 0.385 0.818 0.545 CB 1.448 23 residues pruned to eliminate duplicates Z: 19 9.321 1.967 0.534 0.358 0.722 0.444 CB 1.174 19 residues pruned to eliminate duplicates Z: 7 4.301 1.671 0.307 0.514 0.833 0.833 CA 0.951 7 residues pruned to eliminate duplicates Z: 18 5.722 1.560 0.475 0.214 0.706 0.353 CB 1.197 18 residues pruned to eliminate duplicates Z: 21 23.465 1.931 0.443 0.902 0.950 0.700 CB 1.414 21 residues pruned to eliminate duplicates Z: 13 20.186 2.038 0.786 0.608 1.000 0.750 CA 1.444 13 residues pruned to eliminate duplicates Z: 32 21.326 1.975 0.632 0.394 0.935 0.548 CB 1.420 32 residues pruned to eliminate duplicates Z: 6 7.883 1.934 -0.006 0.638 1.000 0.800 CA 1.612 6 residues pruned to eliminate duplicates Z: 8 2.791 1.454 0.235 0.378 0.714 0.429 CB 0.936 Z: 8 5.860 1.444 0.242 0.578 1.000 0.714 CB 1.145 Z: 7 3.097 1.233 0.363 0.474 0.833 0.833 CA 0.927 7 residues pruned to eliminate duplicates Z: 9 8.126 1.672 0.233 0.521 1.000 0.500 CA 1.364 9 residues pruned to eliminate duplicates Z: 24 16.493 1.948 0.712 0.375 0.826 0.522 CB 1.428 24 residues pruned to eliminate duplicates Z: 8 4.585 1.713 0.610 0.344 1.000 0.714 CB 0.744 8 residues pruned to eliminate duplicates Z: 20 11.476 1.932 0.649 0.349 0.842 0.474 CB 1.157 26 residues pruned to eliminate duplicates Z: 7 5.033 1.206 0.440 0.804 1.000 0.833 CA 0.907 Z: 15 9.021 1.880 0.339 0.424 0.929 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 6 3.938 1.684 -0.034 0.359 1.000 0.600 CB 1.260 6 residues pruned to eliminate duplicates 6 1.822 1.284 0.384 0.219 0.800 0.400 CB 0.797 ? Z: 7 2.508 1.554 0.159 0.633 0.667 0.667 CB 0.752 8 residues pruned to eliminate duplicates Z: 12 8.778 1.804 0.405 0.484 0.818 0.545 CB 1.298 13 residues pruned to eliminate duplicates Z: 8 5.334 2.085 0.220 0.273 0.857 0.286 CA 1.196 8 residues pruned to eliminate duplicates Z: 29 13.714 1.970 0.535 0.308 0.786 0.464 CB 1.350 29 residues pruned to eliminate duplicates Z: 11 13.801 1.911 0.204 0.845 1.000 0.900 CB 1.410 Z: 19 27.493 1.979 0.980 0.902 1.000 0.778 CB 1.179 19 residues pruned to eliminate duplicates Z: 9 3.926 1.439 0.330 0.304 0.750 0.500 CB 1.202 Z: 10 2.218 1.250 0.265 0.315 0.667 0.444 CB 0.860 Z: 11 2.353 1.394 -0.007 0.276 0.800 0.300 C 0.865 Z: 6 4.812 1.736 0.241 0.720 0.800 0.600 N 1.024 6 residues pruned to eliminate duplicates Z: 8 3.273 1.298 0.308 0.469 0.857 0.714 CA 0.878 Z: 9 10.050 1.705 0.619 0.877 0.750 0.375 CA 1.247 9 residues pruned to eliminate duplicates Z: 29 14.357 1.943 0.528 0.364 0.786 0.607 CA 1.346 29 residues pruned to eliminate duplicates 7 1.634 1.494 0.429 0.376 0.500 0.500 CB 0.713 ? Z: 8 2.865 1.332 0.815 0.328 0.571 0.429 C 0.947 8 residues pruned to eliminate duplicates Z: 32 13.041 1.971 0.427 0.379 0.774 0.484 CB 1.224 32 residues pruned to eliminate duplicates Z: 6 4.368 1.881 0.028 0.253 1.000 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 6 2.117 1.413 0.837 0.334 0.800 0.200 CB 0.547 Z: 17 8.689 1.982 0.441 0.269 0.875 0.375 CB 1.130 17 residues pruned to eliminate duplicates Z: 12 15.237 1.923 0.365 0.721 1.000 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 10 4.910 1.365 0.579 0.372 0.889 0.444 CB 0.980 Z: 52 36.045 2.025 0.701 0.644 0.902 0.608 CA 1.420 52 residues pruned to eliminate duplicates Z: 39 16.456 1.846 0.528 0.305 0.763 0.447 CB 1.541 39 residues pruned to eliminate duplicates Z: 17 11.064 1.941 0.472 0.347 0.812 0.500 CB 1.407 17 residues pruned to eliminate duplicates Z: 21 9.716 1.774 0.451 0.276 0.900 0.400 CB 1.208 21 residues pruned to eliminate duplicates Z: 7 2.363 1.438 0.578 0.250 0.500 0.333 O 1.134 6 residues pruned to eliminate duplicates Z: 8 5.387 1.820 0.003 0.448 0.857 0.571 N 1.372 8 residues pruned to eliminate duplicates Z: 62 35.348 2.090 0.536 0.512 0.967 0.574 CB 1.440 62 residues pruned to eliminate duplicates Z: 15 10.242 1.922 0.160 0.330 1.000 0.643 CB 1.479 15 residues pruned to eliminate duplicates Z: 6 3.558 1.294 0.745 0.633 0.800 0.400 CB 0.777 6 1.142 0.998 0.464 0.381 1.000 0.600 CA 0.397 ? Z: 6 4.008 1.758 -0.079 0.484 1.000 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 12 9.090 1.700 0.721 0.545 0.909 0.545 CA 0.986 12 residues pruned to eliminate duplicates 8 1.409 1.318 -0.108 0.382 0.571 0.286 CB 0.899 ? Z: 7 3.442 1.447 0.394 0.285 0.833 0.333 N 1.065 3 residues pruned to eliminate duplicates 6 1.703 1.453 -0.010 0.495 0.600 0.400 N 0.886 ? Z: 9 6.122 1.900 0.125 0.405 0.875 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 19 18.344 1.772 0.841 0.564 0.944 0.667 CB 1.320 19 residues pruned to eliminate duplicates Z: 8 7.046 1.377 0.402 0.820 1.000 0.714 CA 1.046 8 residues pruned to eliminate duplicates Z: 35 25.287 2.108 0.536 0.598 0.794 0.500 CB 1.536 35 residues pruned to eliminate duplicates Z: 16 12.183 2.061 0.412 0.402 0.867 0.667 CB 1.384 16 residues pruned to eliminate duplicates Z: 14 10.958 1.823 0.410 0.619 0.923 0.692 CA 1.145 14 residues pruned to eliminate duplicates Z: 13 10.353 1.862 0.281 0.484 0.917 0.500 CB 1.389 15 residues pruned to eliminate duplicates Z: 7 2.709 1.439 -0.051 0.388 1.000 0.667 CA 0.913 7 residues pruned to eliminate duplicates Z: 21 18.921 1.942 0.660 0.584 0.850 0.450 CA 1.424 21 residues pruned to eliminate duplicates Z: 19 7.444 1.916 0.430 0.321 0.667 0.556 CB 1.170 19 residues pruned to eliminate duplicates Z: 9 16.008 1.970 0.788 0.557 1.000 0.500 CA 1.520 9 residues pruned to eliminate duplicates Z: 7 4.323 1.725 0.202 0.633 0.667 0.500 CA 1.127 7 residues pruned to eliminate duplicates Z: 9 2.789 1.503 0.132 0.281 0.750 0.500 CB 0.989 Z: 7 7.321 1.677 0.554 0.592 0.833 0.833 CB 1.260 7 residues pruned to eliminate duplicates Z: 19 15.775 1.868 0.691 0.547 0.778 0.556 CB 1.445 19 residues pruned to eliminate duplicates Z: 6 3.874 1.460 0.399 0.567 0.800 0.800 N 0.993 Z: 40 28.405 1.995 0.606 0.533 0.923 0.692 CA 1.489 40 residues pruned to eliminate duplicates Z: 48 40.937 2.126 0.609 0.623 0.979 0.574 CA 1.589 48 residues pruned to eliminate duplicates Z: 14 8.655 1.865 0.325 0.394 0.846 0.462 CB 1.284 14 residues pruned to eliminate duplicates Z: 9 4.083 1.549 0.476 0.301 0.625 0.375 N 1.261 6 residues pruned to eliminate duplicates Z: 20 8.960 1.773 0.622 0.219 0.789 0.263 CB 1.258 20 residues pruned to eliminate duplicates Z: 7 3.821 1.413 0.353 0.443 0.833 0.667 CB 1.038 Z: 7 9.164 1.941 0.658 0.497 1.000 0.667 CB 1.166 7 residues pruned to eliminate duplicates Z: 22 20.113 1.924 0.601 0.525 0.952 0.524 CB 1.458 22 residues pruned to eliminate duplicates 7 1.944 1.265 0.552 0.398 0.833 0.333 CA 0.540 ? Z: 29 19.221 1.915 0.421 0.506 0.893 0.500 CB 1.485 29 residues pruned to eliminate duplicates Z: 7 6.046 1.570 0.294 0.603 0.833 0.500 CA 1.322 7 residues pruned to eliminate duplicates Z: 11 5.438 1.604 0.706 0.328 0.700 0.400 CA 1.084 8 residues pruned to eliminate duplicates Z: 9 10.463 1.738 0.442 0.873 0.875 0.750 CA 1.229 9 residues pruned to eliminate duplicates Z: 7 9.276 1.567 0.541 0.792 1.000 1.000 CA 1.213 7 residues pruned to eliminate duplicates Z: 6 4.634 1.531 0.386 0.459 0.800 0.400 N 1.273 Z: 12 15.163 2.021 0.499 0.567 1.000 0.727 CA 1.415 12 residues pruned to eliminate duplicates Z: 17 6.094 1.650 0.192 0.305 0.750 0.625 CA 1.284 17 residues pruned to eliminate duplicates Z: 16 7.937 1.715 0.416 0.391 0.800 0.467 CB 1.184 17 residues pruned to eliminate duplicates Z: 9 5.025 1.759 0.237 0.408 0.750 0.625 CB 1.199 Z: 11 6.335 1.967 0.385 0.304 0.700 0.500 CB 1.308 11 residues pruned to eliminate duplicates Z: 10 12.232 1.766 0.847 0.554 0.889 0.444 CB 1.334 Z: 7 3.284 1.218 0.612 0.490 0.833 0.667 C 0.828 7 residues pruned to eliminate duplicates Z: 14 11.313 1.885 0.664 0.365 0.769 0.538 CA 1.504 14 residues pruned to eliminate duplicates Z: 12 17.563 1.758 0.487 0.895 1.000 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 41 41.740 2.228 0.644 0.690 0.975 0.750 CB 1.553 41 residues pruned to eliminate duplicates Z: 7 4.132 1.373 0.481 0.362 0.833 0.500 N 1.156 Z: 17 7.415 1.638 0.682 0.225 0.750 0.562 CB 1.237 14 residues pruned to eliminate duplicates Z: 7 8.523 1.911 0.622 0.743 1.000 0.833 CA 0.903 7 residues pruned to eliminate duplicates Z: 12 15.931 2.006 0.959 0.548 0.818 0.727 CA 1.425 12 residues pruned to eliminate duplicates Z: 9 10.460 1.871 0.501 0.523 1.000 0.750 CA 1.288 9 residues pruned to eliminate duplicates Z: 20 8.641 1.753 0.389 0.372 0.947 0.526 CB 0.986 25 residues pruned to eliminate duplicates Z: 16 16.249 1.876 0.512 0.552 0.933 0.867 CB 1.507 16 residues pruned to eliminate duplicates Z: 18 7.923 1.783 0.314 0.302 0.765 0.471 CB 1.337 18 residues pruned to eliminate duplicates Z: 9 4.207 1.260 0.663 0.540 0.875 0.500 CB 0.780 Z: 9 9.130 1.608 0.449 0.742 1.000 0.750 CB 1.116 Z: 8 4.226 1.419 -0.001 0.625 1.000 0.571 CA 1.002 Z: 21 8.218 1.716 0.475 0.283 0.800 0.250 CB 1.159 23 residues pruned to eliminate duplicates Z: 27 17.827 2.011 0.611 0.416 0.846 0.654 CA 1.392 27 residues pruned to eliminate duplicates Z: 13 9.978 1.733 0.644 0.523 0.833 0.667 CA 1.186 12 residues pruned to eliminate duplicates Z: 6 9.536 1.855 0.822 0.784 1.000 0.600 CA 0.982 6 residues pruned to eliminate duplicates Z: 16 18.112 1.855 0.830 0.854 0.800 0.333 CA 1.272 16 residues pruned to eliminate duplicates Z: 8 5.095 1.722 0.349 0.426 0.714 0.714 CA 1.253 8 residues pruned to eliminate duplicates 7 1.344 1.142 0.504 0.213 0.500 0.333 C 0.897 ? Z: 21 25.255 1.834 0.727 0.924 1.000 0.400 CB 1.252 21 residues pruned to eliminate duplicates Z: 31 10.793 1.812 0.513 0.334 0.733 0.433 CB 1.175 31 residues pruned to eliminate duplicates Z: 8 6.743 1.655 0.408 0.479 0.857 0.429 CB 1.303 8 residues pruned to eliminate duplicates Z: 7 3.018 1.402 0.544 0.373 0.667 0.333 O 0.978 Z: 7 4.847 1.678 0.468 0.543 0.833 0.500 CB 0.925 Z: 7 2.222 1.494 0.688 0.355 0.833 0.667 CB 0.505 Z: 41 37.663 2.069 0.718 0.679 1.000 0.625 CA 1.421 41 residues pruned to eliminate duplicates Z: 10 5.726 1.679 0.365 0.454 0.778 0.556 CB 1.122 7 residues pruned to eliminate duplicates Z: 21 41.022 2.225 0.925 0.907 0.950 0.900 CB 1.603 21 residues pruned to eliminate duplicates Z: 18 13.772 1.991 0.697 0.395 0.882 0.588 CB 1.252 18 residues pruned to eliminate duplicates 6 1.679 1.386 0.040 0.290 0.600 0.400 N 1.099 ? Z: 15 6.427 1.721 0.673 0.447 0.643 0.571 CB 0.980 15 residues pruned to eliminate duplicates Z: 15 10.092 1.776 0.356 0.482 0.929 0.714 CA 1.229 16 residues pruned to eliminate duplicates Z: 6 4.498 1.478 -0.158 0.809 1.000 1.000 CB 1.235 Z: 27 11.182 1.828 0.473 0.288 0.769 0.500 CB 1.343 24 residues pruned to eliminate duplicates Z: 10 9.597 1.788 0.482 0.450 0.889 0.667 N 1.429 10 residues pruned to eliminate duplicates Z: 7 6.723 1.629 0.596 0.549 0.833 0.667 CB 1.208 Z: 6 3.816 1.461 0.563 0.299 0.800 0.400 O 1.169 6 residues pruned to eliminate duplicates Z: 53 33.060 2.043 0.620 0.601 0.904 0.500 CA 1.392 53 residues pruned to eliminate duplicates Z: 10 11.526 1.672 0.773 0.785 0.889 0.667 CB 1.134 16 residues pruned to eliminate duplicates Z: 10 4.743 1.591 0.328 0.334 0.778 0.333 CA 1.153 10 residues pruned to eliminate duplicates 6 1.445 1.422 -0.113 0.684 1.000 0.600 CB 0.433 ? Z: 9 8.163 1.747 0.599 0.604 0.875 0.500 CA 1.070 9 residues pruned to eliminate duplicates Z: 8 4.649 1.544 0.451 0.411 0.857 0.429 CB 1.005 7 residues pruned to eliminate duplicates Z: 7 2.581 1.333 0.374 0.248 0.833 0.667 CA 0.923 Z: 26 14.712 2.076 0.812 0.270 0.760 0.440 CB 1.336 26 residues pruned to eliminate duplicates Z: 6 4.685 1.653 0.557 0.672 0.800 0.800 CA 0.869 6 residues pruned to eliminate duplicates Z: 19 33.462 2.058 0.808 0.931 1.000 0.722 CA 1.481 19 residues pruned to eliminate duplicates Z: 13 13.510 1.950 0.548 0.615 0.917 0.583 CA 1.264 14 residues pruned to eliminate duplicates Z: 16 7.914 1.824 0.355 0.493 0.867 0.467 CB 0.961 16 residues pruned to eliminate duplicates Z: 9 3.743 1.549 0.675 0.379 0.625 0.625 N 0.928 Z: 6 3.781 1.253 0.608 0.642 1.000 0.600 CA 0.735 Z: 20 30.915 1.959 1.050 0.937 1.000 0.789 CB 1.229 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 13.233 1.790 0.478 0.595 1.000 0.818 CB 1.377 13 residues pruned to eliminate duplicates Z: 18 29.526 1.970 0.716 0.926 1.000 0.647 CB 1.486 18 residues pruned to eliminate duplicates Z: 22 18.239 1.957 0.879 0.661 0.762 0.524 CB 1.223 22 residues pruned to eliminate duplicates Z: 64 41.885 2.016 0.686 0.593 0.905 0.667 CA 1.569 64 residues pruned to eliminate duplicates Z: 42 36.561 2.018 0.625 0.721 0.976 0.537 CB 1.462 42 residues pruned to eliminate duplicates Z: 47 37.498 2.031 0.654 0.704 0.891 0.609 CB 1.534 47 residues pruned to eliminate duplicates Z: 29 32.485 2.022 0.832 0.694 0.929 0.536 CB 1.495 29 residues pruned to eliminate duplicates Z: 31 28.810 2.050 0.759 0.702 0.833 0.467 CB 1.457 31 residues pruned to eliminate duplicates Z: 25 27.343 2.071 0.697 0.725 0.833 0.417 CB 1.556 25 residues pruned to eliminate duplicates Z: 40 36.870 2.004 0.642 0.738 0.949 0.641 CB 1.528 40 residues pruned to eliminate duplicates Z: 39 31.093 1.933 0.874 0.676 0.842 0.395 CB 1.407 39 residues pruned to eliminate duplicates Z: 49 38.344 1.994 0.839 0.663 0.938 0.604 CB 1.385 49 residues pruned to eliminate duplicates Z: 51 32.297 2.018 0.724 0.591 0.840 0.500 CB 1.432 51 residues pruned to eliminate duplicates Z: 23 24.742 1.952 0.849 0.573 0.955 0.591 CA 1.426 23 residues pruned to eliminate duplicates Z: 66 41.993 1.964 0.819 0.578 0.892 0.477 CB 1.514 66 residues pruned to eliminate duplicates Z: 21 22.390 1.989 0.557 0.630 0.950 0.600 CA 1.506 21 residues pruned to eliminate duplicates Z: 25 21.054 1.864 0.655 0.546 0.917 0.667 CA 1.454 25 residues pruned to eliminate duplicates Z: 65 39.838 1.978 0.682 0.587 0.938 0.516 CB 1.468 65 residues pruned to eliminate duplicates Z: 53 38.835 1.968 0.721 0.656 0.942 0.596 CB 1.460 53 residues pruned to eliminate duplicates Z: 39 28.669 1.980 0.714 0.464 0.921 0.658 CB 1.543 39 residues pruned to eliminate duplicates Z: 62 40.846 2.029 0.726 0.596 0.885 0.475 CB 1.538 62 residues pruned to eliminate duplicates Z: 36 32.334 2.073 0.740 0.508 0.971 0.629 CA 1.547 36 residues pruned to eliminate duplicates Z: 24 19.216 1.872 0.629 0.550 0.913 0.652 CB 1.370 24 residues pruned to eliminate duplicates Z: 43 33.671 1.951 0.609 0.666 0.905 0.595 CB 1.569 43 residues pruned to eliminate duplicates Z: 43 31.408 1.997 0.743 0.522 0.929 0.500 CA 1.467 43 residues pruned to eliminate duplicates Z: 36 31.640 2.067 0.818 0.476 0.943 0.571 CA 1.547 36 residues pruned to eliminate duplicates Z: 20 19.016 1.920 0.497 0.650 0.895 0.632 CA 1.476 20 residues pruned to eliminate duplicates Z: 32 21.248 1.899 0.653 0.498 0.871 0.645 CB 1.398 32 residues pruned to eliminate duplicates Z: 49 30.773 1.938 0.534 0.601 0.938 0.625 CB 1.448 49 residues pruned to eliminate duplicates Z: 24 16.901 1.873 0.698 0.483 0.870 0.565 CB 1.296 24 residues pruned to eliminate duplicates Z: 29 21.998 1.863 0.662 0.567 0.893 0.536 CB 1.410 29 residues pruned to eliminate duplicates Z: 37 30.667 2.027 0.742 0.471 0.972 0.611 CA 1.533 37 residues pruned to eliminate duplicates Z: 37 26.016 2.021 0.683 0.461 0.861 0.556 CA 1.540 37 residues pruned to eliminate duplicates Z: 38 27.809 1.989 0.711 0.472 0.919 0.595 CA 1.504 38 residues pruned to eliminate duplicates Z: 14 15.975 2.054 0.857 0.357 0.923 0.462 CA 1.468 14 residues pruned to eliminate duplicates Z: 24 16.262 1.952 0.792 0.319 0.870 0.478 CB 1.361 24 residues pruned to eliminate duplicates Z: 19 17.929 2.148 0.552 0.357 0.944 0.556 CA 1.566 19 residues pruned to eliminate duplicates Z: 22 17.501 2.061 0.592 0.346 0.905 0.619 CA 1.521 22 residues pruned to eliminate duplicates Z: 47 38.190 2.065 0.788 0.550 0.957 0.696 CB 1.519 47 residues pruned to eliminate duplicates Z: 21 18.525 2.008 0.713 0.524 0.800 0.550 CB 1.471 21 residues pruned to eliminate duplicates Z: 13 16.490 2.141 0.900 0.479 0.833 0.583 CA 1.434 13 residues pruned to eliminate duplicates Z: 19 18.558 2.123 0.903 0.390 0.833 0.556 CA 1.460 19 residues pruned to eliminate duplicates Z: 24 17.297 1.997 0.708 0.310 0.957 0.522 CA 1.364 24 residues pruned to eliminate duplicates Z: 29 14.629 1.874 0.636 0.306 0.857 0.464 CB 1.304 29 residues pruned to eliminate duplicates Z: 22 18.655 2.040 0.718 0.299 0.952 0.429 CA 1.527 22 residues pruned to eliminate duplicates Z: 23 22.968 2.049 0.818 0.440 0.955 0.636 CA 1.464 23 residues pruned to eliminate duplicates Z: 50 29.711 1.994 0.757 0.442 0.918 0.551 CB 1.401 50 residues pruned to eliminate duplicates Z: 16 15.978 1.973 0.712 0.397 0.933 0.533 CA 1.459 16 residues pruned to eliminate duplicates Z: 53 35.538 1.960 0.557 0.642 0.942 0.712 CA 1.500 35 residues pruned to eliminate duplicates Z: 6 6.116 1.580 0.884 0.466 1.000 0.600 CA 0.951 Z: 46 32.023 2.019 0.591 0.609 0.911 0.800 CA 1.470 46 residues pruned to eliminate duplicates Z: 32 21.123 2.025 0.699 0.401 0.839 0.548 CA 1.459 32 residues pruned to eliminate duplicates Z: 46 37.474 2.023 0.770 0.564 1.000 0.733 CA 1.466 46 residues pruned to eliminate duplicates Z: 49 32.664 1.993 0.742 0.610 0.812 0.583 CA 1.506 81 residues pruned to eliminate duplicates Z: 18 22.278 2.066 0.318 0.858 1.000 0.765 CB 1.461 18 residues pruned to eliminate duplicates Z: 26 31.873 2.039 0.775 0.753 0.960 0.800 CB 1.465 26 residues pruned to eliminate duplicates Z: 31 19.810 1.929 0.349 0.590 0.900 0.533 CA 1.416 31 residues pruned to eliminate duplicates Z: 25 23.606 2.076 0.370 0.718 0.917 0.667 CB 1.517 25 residues pruned to eliminate duplicates Z: 28 31.518 2.074 0.598 0.693 0.926 0.778 CB 1.657 28 residues pruned to eliminate duplicates Z: 17 10.043 1.848 0.423 0.356 0.938 0.688 CB 1.189 14 residues pruned to eliminate duplicates Z: 8 4.142 1.661 0.566 0.332 0.714 0.286 CA 1.012 8 residues pruned to eliminate duplicates Z: 15 8.570 1.910 0.267 0.420 0.929 0.429 CA 1.108 15 residues pruned to eliminate duplicates Z: 16 8.793 1.882 0.388 0.381 1.000 0.667 CA 0.986 16 residues pruned to eliminate duplicates Z: 16 11.211 1.917 0.494 0.440 1.000 0.533 CA 1.074 16 residues pruned to eliminate duplicates Z: 10 7.366 1.922 0.251 0.468 1.000 0.556 CA 1.055 10 residues pruned to eliminate duplicates Z: 18 10.001 1.871 0.239 0.357 1.000 0.529 CB 1.220 16 residues pruned to eliminate duplicates Z: 6 5.614 1.669 0.316 0.451 1.000 0.400 CA 1.202 6 residues pruned to eliminate duplicates Z: 18 7.196 1.800 0.312 0.314 0.882 0.529 CB 1.029 18 residues pruned to eliminate duplicates Z: 15 8.408 1.680 0.428 0.539 0.857 0.714 CB 1.052 15 residues pruned to eliminate duplicates Z: 12 14.362 1.932 0.425 0.682 1.000 0.636 CB 1.332 12 residues pruned to eliminate duplicates Z: 6 5.231 1.319 0.940 0.380 1.000 0.600 N 1.039 6 residues pruned to eliminate duplicates Z: 12 13.471 1.954 0.407 0.642 0.909 0.545 CB 1.424 12 residues pruned to eliminate duplicates Z: 7 3.043 1.142 0.872 0.446 0.833 0.667 C 0.737 7 residues pruned to eliminate duplicates Z: 7 7.846 1.810 0.582 0.461 1.000 0.667 CA 1.164 7 residues pruned to eliminate duplicates Z: 13 5.833 1.634 0.500 0.347 0.750 0.167 CA 1.081 11 residues pruned to eliminate duplicates Z: 6 8.028 1.949 0.129 0.495 1.000 0.600 CA 1.640 6 residues pruned to eliminate duplicates Z: 6 7.523 2.014 0.444 0.471 1.000 0.400 CA 1.192 6 residues pruned to eliminate duplicates Z: 26 14.109 1.999 0.492 0.322 0.840 0.640 CB 1.371 26 residues pruned to eliminate duplicates Z: 16 7.672 1.876 0.230 0.303 0.933 0.533 CB 1.146 16 residues pruned to eliminate duplicates Z: 16 12.120 1.980 0.310 0.317 1.000 0.333 CA 1.476 16 residues pruned to eliminate duplicates Z: 20 10.810 1.949 0.262 0.296 0.895 0.368 CA 1.416 20 residues pruned to eliminate duplicates Z: 30 12.212 1.937 0.206 0.296 0.897 0.448 CB 1.359 30 residues pruned to eliminate duplicates Z: 25 10.876 2.019 0.447 0.311 0.708 0.500 CB 1.322 25 residues pruned to eliminate duplicates Z: 19 10.056 1.895 0.235 0.305 0.944 0.500 CA 1.331 19 residues pruned to eliminate duplicates Z: 31 11.046 1.925 0.287 0.294 0.767 0.400 CB 1.338 31 residues pruned to eliminate duplicates Z: 26 11.743 1.990 0.374 0.297 0.800 0.480 CB 1.346 26 residues pruned to eliminate duplicates Z: 26 13.949 2.039 0.459 0.310 0.840 0.480 CB 1.378 26 residues pruned to eliminate duplicates Z: 6 3.928 1.716 0.539 0.449 0.600 0.600 N 1.169 6 residues pruned to eliminate duplicates Z: 32 13.899 1.903 0.523 0.281 0.806 0.516 CB 1.368 32 residues pruned to eliminate duplicates Z: 34 13.254 1.922 0.335 0.311 0.788 0.485 CA 1.407 34 residues pruned to eliminate duplicates Z: 30 13.167 1.973 0.479 0.279 0.759 0.414 CB 1.418 30 residues pruned to eliminate duplicates Z: 32 13.791 1.944 0.395 0.278 0.806 0.355 CB 1.456 32 residues pruned to eliminate duplicates Z: 14 5.540 1.989 0.396 0.282 0.538 0.462 CB 1.314 14 residues pruned to eliminate duplicates Z: 8 5.867 1.967 0.614 0.182 0.857 0.571 CB 1.196 8 residues pruned to eliminate duplicates Z: 7 4.519 1.878 0.643 0.198 0.833 0.333 CB 1.027 7 residues pruned to eliminate duplicates Z: 15 9.308 1.989 0.648 0.356 0.786 0.429 CB 1.128 13 residues pruned to eliminate duplicates Z: 6 2.745 1.494 0.821 0.100 0.800 0.200 CB 0.940 6 residues pruned to eliminate duplicates Z: 8 10.446 1.943 0.300 0.532 1.000 0.714 N 1.514 11 residues pruned to eliminate duplicates Z: 8 4.949 1.432 0.368 0.425 0.857 0.429 N 1.205 8 residues pruned to eliminate duplicates Z: 9 7.995 1.837 0.373 0.397 0.875 0.625 CB 1.428 10 residues pruned to eliminate duplicates Z: 6 6.270 1.837 0.355 0.511 0.800 0.600 O 1.393 6 residues pruned to eliminate duplicates Z: 14 8.694 1.761 0.471 0.460 0.923 0.538 CB 1.051 19 residues pruned to eliminate duplicates Z: 13 8.852 1.820 0.497 0.499 1.000 0.750 CB 0.939 13 residues pruned to eliminate duplicates Z: 14 4.686 1.708 0.250 0.348 0.769 0.385 CB 0.933 14 residues pruned to eliminate duplicates Z: 8 6.571 1.589 1.030 0.527 0.714 0.571 N 1.050 7 residues pruned to eliminate duplicates Z: 15 9.068 1.940 0.504 0.374 0.786 0.500 CA 1.209 16 residues pruned to eliminate duplicates Z: 6 3.344 1.863 0.009 0.439 0.800 0.400 CB 1.059 12 residues pruned to eliminate duplicates Z: 10 6.627 1.894 0.304 0.395 0.778 0.556 CA 1.285 10 residues pruned to eliminate duplicates Z: 6 7.211 1.916 0.536 0.392 0.800 0.600 CA 1.535 6 residues pruned to eliminate duplicates Z: 31 19.227 1.899 0.548 0.477 0.900 0.667 CB 1.358 32 residues pruned to eliminate duplicates Z: 7 8.275 1.656 0.745 0.639 0.833 0.833 CA 1.231 7 residues pruned to eliminate duplicates Z: 20 16.062 1.890 0.531 0.483 0.947 0.579 CB 1.367 20 residues pruned to eliminate duplicates Z: 20 15.455 1.870 0.527 0.490 0.947 0.579 CB 1.323 20 residues pruned to eliminate duplicates Z: 21 12.222 1.779 0.503 0.370 0.900 0.400 CB 1.305 21 residues pruned to eliminate duplicates Z: 32 20.680 1.893 0.626 0.499 0.903 0.581 CA 1.338 33 residues pruned to eliminate duplicates Z: 8 3.791 1.172 0.408 0.547 1.000 0.857 CB 0.829 8 residues pruned to eliminate duplicates Z: 20 15.801 1.910 0.549 0.454 0.947 0.526 CB 1.356 20 residues pruned to eliminate duplicates Z: 32 19.929 1.874 0.566 0.471 0.935 0.548 CB 1.343 32 residues pruned to eliminate duplicates Z: 32 19.715 1.906 0.536 0.479 0.935 0.548 CB 1.321 32 residues pruned to eliminate duplicates Z: 33 18.985 1.886 0.512 0.502 0.875 0.625 CB 1.342 33 residues pruned to eliminate duplicates Z: 16 10.915 1.837 0.635 0.548 0.867 0.733 CA 1.034 16 residues pruned to eliminate duplicates Z: 19 13.731 1.757 0.845 0.535 0.833 0.667 CA 1.157 17 residues pruned to eliminate duplicates Z: 6 2.099 1.432 0.664 0.100 0.800 0.400 CB 0.821 6 residues pruned to eliminate duplicates Z: 12 9.857 1.732 0.711 0.539 0.818 0.727 CA 1.180 12 residues pruned to eliminate duplicates Z: 10 9.359 1.840 0.707 0.554 0.889 0.667 CA 1.060 10 residues pruned to eliminate duplicates Z: 18 15.193 1.847 0.714 0.566 0.941 0.824 CA 1.161 19 residues pruned to eliminate duplicates 6 1.582 1.422 0.459 0.105 0.600 0.200 CA 0.940 ? Z: 7 3.238 1.780 0.881 0.259 0.500 0.167 CA 1.040 Z: 6 4.187 1.648 0.716 0.206 0.800 0.400 CB 1.172 10 residues pruned to eliminate duplicates Z: 6 7.514 1.647 0.881 0.409 0.800 0.800 CA 1.493 Z: 6 2.538 1.410 0.354 0.249 0.800 0.400 CA 0.992 Z: 6 5.394 1.937 0.059 0.426 1.000 0.600 CB 1.270 Z: 11 7.582 1.932 0.657 0.282 0.800 0.600 CA 1.197 13 residues pruned to eliminate duplicates Z: 6 9.193 1.805 0.635 0.669 1.000 0.200 CB 1.192 5 residues pruned to eliminate duplicates Z: 6 10.287 1.905 1.005 0.824 0.800 0.400 CA 1.137 7 residues pruned to eliminate duplicates Z: 7 9.902 1.702 0.828 0.788 1.000 0.333 CA 1.008 7 residues pruned to eliminate duplicates Z: 13 8.206 1.828 0.686 0.311 0.750 0.500 CB 1.264 13 residues pruned to eliminate duplicates Z: 11 11.688 2.060 0.686 0.439 0.800 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 10 8.763 2.080 0.429 0.371 0.778 0.667 CA 1.451 10 residues pruned to eliminate duplicates Z: 11 11.580 2.068 0.562 0.429 0.900 0.600 CB 1.356 11 residues pruned to eliminate duplicates Z: 6 5.495 1.632 0.240 0.321 1.000 0.600 C 1.478 Z: 6 2.110 1.560 0.298 0.573 0.600 0.400 CB 0.724 6 residues pruned to eliminate duplicates Z: 14 10.491 2.011 0.442 0.344 0.769 0.308 CB 1.545 Z: 13 7.335 1.910 0.386 0.366 0.667 0.583 CA 1.386 13 residues pruned to eliminate duplicates Z: 8 9.084 1.813 0.622 0.580 0.857 0.714 CA 1.261 7 residues pruned to eliminate duplicates Z: 10 11.611 2.014 0.980 0.396 0.667 0.556 CB 1.626 10 residues pruned to eliminate duplicates Z: 11 10.629 2.027 0.582 0.498 0.700 0.700 CB 1.501 11 residues pruned to eliminate duplicates Z: 50 30.620 2.047 0.544 0.574 0.878 0.673 CA 1.468 50 residues pruned to eliminate duplicates Z: 6 3.229 1.436 0.532 0.353 0.800 0.400 CA 0.961 6 residues pruned to eliminate duplicates Z: 34 30.732 2.076 0.654 0.647 0.970 0.667 CA 1.401 34 residues pruned to eliminate duplicates Z: 35 30.718 2.041 0.703 0.620 0.971 0.588 CA 1.394 35 residues pruned to eliminate duplicates Z: 7 10.361 2.066 0.509 0.419 1.000 0.667 CB 1.476 7 residues pruned to eliminate duplicates Z: 47 38.794 2.068 0.763 0.688 0.913 0.587 CA 1.446 47 residues pruned to eliminate duplicates Z: 41 38.091 2.069 0.818 0.669 0.975 0.525 CA 1.405 41 residues pruned to eliminate duplicates Z: 33 33.330 2.069 0.826 0.620 0.938 0.531 CB 1.484 33 residues pruned to eliminate duplicates Z: 40 30.753 2.056 0.639 0.618 0.949 0.590 CA 1.378 40 residues pruned to eliminate duplicates Z: 39 26.213 1.961 0.626 0.578 0.921 0.553 CA 1.343 39 residues pruned to eliminate duplicates Z: 37 28.405 2.054 0.615 0.584 0.944 0.528 CA 1.393 37 residues pruned to eliminate duplicates Z: 36 30.775 2.073 0.655 0.622 0.943 0.571 CA 1.432 36 residues pruned to eliminate duplicates Z: 45 32.935 2.003 0.629 0.612 0.977 0.545 CA 1.399 45 residues pruned to eliminate duplicates Z: 44 31.513 2.059 0.545 0.623 0.953 0.651 CA 1.410 44 residues pruned to eliminate duplicates Z: 23 22.544 2.040 0.716 0.589 0.909 0.682 CA 1.387 23 residues pruned to eliminate duplicates Z: 40 31.013 2.034 0.619 0.630 1.000 0.641 CA 1.335 40 residues pruned to eliminate duplicates Z: 35 33.072 2.092 0.779 0.637 0.971 0.765 CA 1.381 35 residues pruned to eliminate duplicates Z: 38 28.327 2.012 0.731 0.523 0.919 0.486 CA 1.422 38 residues pruned to eliminate duplicates Z: 33 26.967 2.056 0.608 0.653 0.969 0.562 CA 1.291 33 residues pruned to eliminate duplicates Z: 34 31.923 2.077 0.741 0.656 0.939 0.515 CA 1.414 34 residues pruned to eliminate duplicates Z: 37 28.873 2.050 0.584 0.592 0.972 0.611 CA 1.396 37 residues pruned to eliminate duplicates Z: 35 31.641 2.074 0.668 0.614 0.971 0.559 CA 1.451 35 residues pruned to eliminate duplicates Z: 36 31.406 2.030 0.668 0.642 0.971 0.629 CA 1.413 36 residues pruned to eliminate duplicates Z: 35 31.907 2.100 0.746 0.623 0.941 0.529 CA 1.412 35 residues pruned to eliminate duplicates Z: 43 44.963 2.129 0.822 0.710 0.976 0.524 CA 1.514 43 residues pruned to eliminate duplicates Z: 39 30.079 2.030 0.653 0.567 0.974 0.447 CA 1.400 39 residues pruned to eliminate duplicates Z: 36 30.768 2.062 0.738 0.588 0.886 0.543 CA 1.506 36 residues pruned to eliminate duplicates Z: 58 33.902 2.057 0.579 0.562 0.877 0.579 CA 1.485 58 residues pruned to eliminate duplicates Z: 31 34.740 2.124 0.749 0.723 0.933 0.533 CA 1.495 31 residues pruned to eliminate duplicates Z: 33 33.802 2.091 0.765 0.632 0.969 0.625 CA 1.476 33 residues pruned to eliminate duplicates Z: 44 33.747 2.047 0.680 0.662 0.930 0.581 CA 1.384 44 residues pruned to eliminate duplicates Z: 48 38.579 2.090 0.773 0.672 0.894 0.489 CA 1.449 48 residues pruned to eliminate duplicates Z: 48 36.986 2.068 0.740 0.666 0.936 0.638 CA 1.374 48 residues pruned to eliminate duplicates Z: 41 39.664 2.084 0.741 0.732 0.975 0.650 CA 1.439 41 residues pruned to eliminate duplicates Z: 42 39.420 2.072 0.767 0.684 0.951 0.610 CA 1.493 42 residues pruned to eliminate duplicates Z: 47 40.684 2.090 0.846 0.672 0.913 0.478 CA 1.452 47 residues pruned to eliminate duplicates Z: 9 13.262 1.838 0.491 0.706 1.000 0.375 CB 1.418 9 residues pruned to eliminate duplicates Z: 56 39.067 2.046 0.750 0.572 0.891 0.455 CA 1.540 56 residues pruned to eliminate duplicates Z: 46 43.857 2.107 0.810 0.689 0.978 0.533 CA 1.474 46 residues pruned to eliminate duplicates Z: 65 35.345 2.090 0.659 0.569 0.828 0.531 CA 1.439 65 residues pruned to eliminate duplicates Z: 13 16.951 2.109 0.620 0.651 0.917 0.417 CA 1.357 13 residues pruned to eliminate duplicates Z: 48 40.577 2.073 0.792 0.682 0.915 0.489 CA 1.474 48 residues pruned to eliminate duplicates Z: 7 12.536 2.139 0.852 0.588 0.833 0.500 CA 1.424 7 residues pruned to eliminate duplicates Z: 44 37.694 2.084 0.718 0.687 0.930 0.628 CA 1.454 44 residues pruned to eliminate duplicates Z: 51 36.589 2.060 0.739 0.654 0.920 0.640 CA 1.360 51 residues pruned to eliminate duplicates Z: 73 39.718 2.072 0.683 0.573 0.889 0.556 CA 1.407 73 residues pruned to eliminate duplicates Z: 60 39.981 2.080 0.806 0.599 0.864 0.542 CA 1.458 60 residues pruned to eliminate duplicates Z: 20 12.618 1.904 0.619 0.318 0.842 0.421 CA 1.363 15 residues pruned to eliminate duplicates Z: 7 4.291 1.524 0.369 0.340 1.000 0.167 CA 1.000 7 residues pruned to eliminate duplicates Z: 20 17.169 1.983 0.804 0.372 0.895 0.474 CA 1.412 20 residues pruned to eliminate duplicates Z: 11 5.930 1.752 0.539 0.515 0.700 0.100 CA 0.978 Z: 10 9.191 1.722 0.636 0.659 0.889 0.333 CA 1.055 10 residues pruned to eliminate duplicates Z: 11 9.433 1.696 0.577 0.712 0.800 0.600 CA 1.151 11 residues pruned to eliminate duplicates Z: 11 11.014 1.762 0.529 0.721 0.900 0.600 CA 1.176 11 residues pruned to eliminate duplicates Z: 10 11.541 1.818 0.739 0.739 0.889 0.778 CA 1.105 10 residues pruned to eliminate duplicates Z: 9 14.835 1.993 0.612 0.819 1.000 0.750 CA 1.238 11 residues pruned to eliminate duplicates Z: 10 12.208 1.809 0.622 0.735 1.000 0.444 CA 1.123 10 residues pruned to eliminate duplicates Z: 26 19.858 2.076 0.514 0.461 0.840 0.480 CA 1.566 26 residues pruned to eliminate duplicates Z: 70 33.494 2.006 0.584 0.496 0.870 0.435 CA 1.465 70 residues pruned to eliminate duplicates Z: 26 17.933 2.039 0.498 0.455 0.840 0.480 CB 1.464 26 residues pruned to eliminate duplicates Z: 15 7.799 1.778 0.191 0.482 0.857 0.286 CA 1.169 15 residues pruned to eliminate duplicates Z: 19 14.836 1.929 0.442 0.368 0.944 0.667 CA 1.532 16 residues pruned to eliminate duplicates Z: 6 7.105 1.933 0.419 0.475 1.000 1.000 CA 1.188 6 residues pruned to eliminate duplicates Z: 20 16.027 1.911 0.527 0.344 0.947 0.632 CB 1.576 19 residues pruned to eliminate duplicates Z: 6 5.364 1.790 0.374 0.436 1.000 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 21 13.625 1.844 0.472 0.332 0.950 0.550 CB 1.420 21 residues pruned to eliminate duplicates Z: 18 14.340 1.959 0.377 0.334 1.000 0.647 CA 1.546 18 residues pruned to eliminate duplicates Z: 19 16.721 1.961 0.531 0.358 1.000 0.556 CB 1.530 19 residues pruned to eliminate duplicates Z: 21 14.842 1.851 0.489 0.361 0.950 0.550 CA 1.472 21 residues pruned to eliminate duplicates Z: 6 2.651 1.330 0.847 0.537 1.000 0.800 CB 0.465 6 residues pruned to eliminate duplicates Z: 6 9.294 1.737 0.955 0.458 1.000 0.800 CB 1.278 6 residues pruned to eliminate duplicates Z: 17 17.875 2.070 0.758 0.429 0.938 0.438 CB 1.410 17 residues pruned to eliminate duplicates Z: 31 19.966 2.064 0.662 0.430 0.900 0.533 CB 1.270 31 residues pruned to eliminate duplicates Z: 18 17.375 2.058 0.724 0.416 0.941 0.647 CB 1.378 18 residues pruned to eliminate duplicates Z: 34 19.570 1.963 0.619 0.460 0.909 0.545 CB 1.229 34 residues pruned to eliminate duplicates Z: 18 17.271 2.056 0.734 0.402 0.941 0.647 CB 1.383 18 residues pruned to eliminate duplicates Z: 30 20.521 2.054 0.732 0.420 0.828 0.448 CB 1.407 35 residues pruned to eliminate duplicates Z: 6 2.618 1.588 0.756 0.202 0.800 0.400 CA 0.747 6 residues pruned to eliminate duplicates Z: 28 21.299 2.069 0.697 0.467 0.926 0.481 CB 1.304 28 residues pruned to eliminate duplicates Z: 14 11.722 1.990 0.590 0.441 1.000 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 15 13.009 1.963 0.626 0.504 1.000 0.571 CA 1.085 15 residues pruned to eliminate duplicates Z: 33 19.894 1.997 0.757 0.421 0.938 0.562 CB 1.161 33 residues pruned to eliminate duplicates Z: 31 18.630 1.978 0.663 0.484 0.933 0.600 CB 1.126 31 residues pruned to eliminate duplicates Z: 17 9.945 1.862 0.437 0.447 0.938 0.562 CA 1.046 17 residues pruned to eliminate duplicates Z: 31 22.657 2.019 0.719 0.493 0.967 0.567 CB 1.242 31 residues pruned to eliminate duplicates Z: 32 20.335 2.040 0.630 0.434 0.968 0.645 CB 1.216 32 residues pruned to eliminate duplicates Z: 9 12.598 1.809 0.437 0.669 1.000 0.625 CA 1.466 13 residues pruned to eliminate duplicates Z: 7 2.358 1.445 0.323 0.318 0.667 0.667 N 0.923 7 residues pruned to eliminate duplicates Z: 8 14.841 1.830 0.677 0.658 1.000 0.857 C 1.579 8 residues pruned to eliminate duplicates Z: 7 5.098 1.505 0.603 0.613 0.833 0.333 CB 0.930 7 residues pruned to eliminate duplicates Z: 29 13.746 1.945 0.421 0.386 0.857 0.464 CB 1.237 29 residues pruned to eliminate duplicates Z: 33 18.373 2.036 0.414 0.362 0.906 0.438 CB 1.445 33 residues pruned to eliminate duplicates Z: 20 14.561 1.948 0.475 0.359 0.895 0.474 CB 1.513 26 residues pruned to eliminate duplicates Z: 6 5.337 1.559 0.581 0.373 1.000 0.600 CA 1.110 6 residues pruned to eliminate duplicates Z: 18 13.878 1.982 0.412 0.381 0.941 0.412 CB 1.451 18 residues pruned to eliminate duplicates Z: 18 12.894 1.962 0.430 0.356 0.941 0.412 CB 1.382 18 residues pruned to eliminate duplicates 6 1.880 1.449 0.159 0.254 0.600 0.200 CA 1.107 ? Z: 6 2.464 1.774 -0.241 0.437 0.800 0.600 CB 1.092 Z: 16 6.434 2.101 0.171 0.328 0.533 0.333 CB 1.528 22 residues pruned to eliminate duplicates Z: 36 18.334 2.001 0.492 0.382 0.857 0.514 CB 1.373 36 residues pruned to eliminate duplicates Z: 36 15.564 2.019 0.407 0.344 0.800 0.371 CB 1.371 36 residues pruned to eliminate duplicates Z: 16 9.098 1.920 0.452 0.294 0.800 0.333 CB 1.327 16 residues pruned to eliminate duplicates Z: 18 11.302 2.041 0.460 0.327 0.824 0.588 CB 1.350 18 residues pruned to eliminate duplicates Z: 17 11.868 1.992 0.218 0.369 0.938 0.750 CA 1.500 17 residues pruned to eliminate duplicates Z: 19 12.578 2.002 0.504 0.375 0.778 0.389 CB 1.446 19 residues pruned to eliminate duplicates Z: 16 7.939 2.026 0.242 0.352 0.667 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 13 8.597 2.142 0.533 0.405 0.667 0.250 CB 1.253 13 residues pruned to eliminate duplicates Z: 32 17.208 2.023 0.428 0.374 0.839 0.613 CB 1.460 32 residues pruned to eliminate duplicates Z: 9 6.398 1.968 0.234 0.401 0.875 0.375 CA 1.182 9 residues pruned to eliminate duplicates Z: 13 4.963 2.075 0.281 0.208 0.667 0.417 CB 1.143 13 residues pruned to eliminate duplicates Z: 14 9.880 2.025 0.418 0.252 0.923 0.385 CB 1.374 14 residues pruned to eliminate duplicates Z: 13 8.452 2.075 0.501 0.238 0.833 0.250 CA 1.274 13 residues pruned to eliminate duplicates Z: 32 13.027 2.055 0.437 0.262 0.742 0.355 CB 1.402 32 residues pruned to eliminate duplicates Z: 19 9.741 2.018 0.360 0.212 0.889 0.444 CA 1.323 19 residues pruned to eliminate duplicates Z: 19 9.920 2.040 0.476 0.184 0.833 0.278 CB 1.363 19 residues pruned to eliminate duplicates Z: 17 7.671 2.003 0.148 0.228 0.812 0.375 CA 1.410 17 residues pruned to eliminate duplicates Z: 37 16.882 2.072 0.378 0.310 0.889 0.472 CB 1.368 44 residues pruned to eliminate duplicates Z: 21 9.125 1.983 0.552 0.154 0.800 0.450 CB 1.268 21 residues pruned to eliminate duplicates Z: 18 8.488 2.055 0.311 0.173 0.882 0.294 CA 1.286 18 residues pruned to eliminate duplicates Z: 10 5.183 1.949 0.407 0.220 0.667 0.556 CA 1.312 10 residues pruned to eliminate duplicates Z: 8 4.002 1.715 0.717 0.196 0.714 0.286 CB 1.034 8 residues pruned to eliminate duplicates Z: 19 8.107 1.959 0.350 0.257 0.778 0.444 CB 1.227 19 residues pruned to eliminate duplicates Z: 26 20.596 1.998 0.337 0.591 0.880 0.600 CB 1.606 26 residues pruned to eliminate duplicates Z: 43 24.695 1.967 0.498 0.519 0.857 0.667 CB 1.481 43 residues pruned to eliminate duplicates Z: 35 18.377 1.876 0.384 0.514 0.882 0.559 CB 1.357 35 residues pruned to eliminate duplicates Z: 21 26.094 2.084 0.539 0.738 0.950 0.750 CB 1.547 21 residues pruned to eliminate duplicates Z: 27 29.525 2.046 0.508 0.736 1.000 0.731 CB 1.518 27 residues pruned to eliminate duplicates Z: 29 27.180 1.922 0.632 0.681 0.929 0.750 CB 1.494 29 residues pruned to eliminate duplicates Z: 23 25.540 2.001 0.714 0.684 0.909 0.636 CB 1.476 23 residues pruned to eliminate duplicates Z: 24 20.832 2.051 0.404 0.621 0.870 0.696 CB 1.548 24 residues pruned to eliminate duplicates Z: 31 21.228 2.018 0.486 0.583 0.900 0.567 CB 1.326 31 residues pruned to eliminate duplicates Z: 23 28.812 2.124 0.578 0.682 0.955 0.727 CB 1.624 23 residues pruned to eliminate duplicates Z: 21 20.893 2.050 0.580 0.692 0.850 0.650 CB 1.423 21 residues pruned to eliminate duplicates Z: 30 29.806 1.952 0.721 0.691 0.931 0.690 CA 1.486 30 residues pruned to eliminate duplicates Z: 29 32.117 1.979 0.696 0.694 0.964 0.786 CB 1.570 29 residues pruned to eliminate duplicates Z: 25 31.897 2.050 0.691 0.753 1.000 0.833 CB 1.499 25 residues pruned to eliminate duplicates Z: 29 25.787 1.962 0.550 0.645 0.929 0.750 CB 1.507 29 residues pruned to eliminate duplicates Z: 21 24.279 1.973 0.849 0.697 0.950 0.800 CB 1.308 21 residues pruned to eliminate duplicates Z: 45 27.105 2.044 0.730 0.400 0.909 0.432 CB 1.412 45 residues pruned to eliminate duplicates Z: 20 19.557 2.083 0.473 0.581 0.895 0.684 CA 1.512 20 residues pruned to eliminate duplicates Z: 59 37.987 2.094 0.795 0.500 0.914 0.569 CB 1.453 55 residues pruned to eliminate duplicates Z: 14 13.300 1.775 0.766 0.684 0.846 0.385 CB 1.175 24 residues pruned to eliminate duplicates Z: 34 16.302 2.044 0.516 0.357 0.879 0.485 CB 1.215 34 residues pruned to eliminate duplicates Z: 43 26.044 2.131 0.763 0.411 0.833 0.524 CB 1.409 43 residues pruned to eliminate duplicates Z: 65 36.442 2.121 0.701 0.476 0.906 0.625 CB 1.428 65 residues pruned to eliminate duplicates Z: 50 35.008 2.146 0.709 0.437 0.939 0.592 CB 1.549 50 residues pruned to eliminate duplicates Z: 54 34.286 2.141 0.705 0.471 0.925 0.642 CB 1.437 54 residues pruned to eliminate duplicates Z: 64 29.622 2.091 0.522 0.452 0.857 0.540 CB 1.436 64 residues pruned to eliminate duplicates Z: 60 30.628 2.117 0.663 0.418 0.864 0.508 CB 1.427 60 residues pruned to eliminate duplicates Z: 35 19.517 2.080 0.726 0.274 0.794 0.441 CA 1.517 35 residues pruned to eliminate duplicates Z: 31 23.701 2.095 0.713 0.400 0.933 0.600 CB 1.435 31 residues pruned to eliminate duplicates Z: 27 22.241 2.185 0.616 0.420 0.923 0.615 CB 1.455 27 residues pruned to eliminate duplicates Z: 15 16.350 2.192 0.820 0.386 0.786 0.571 CA 1.574 15 residues pruned to eliminate duplicates Z: 27 20.164 2.205 0.553 0.378 0.885 0.538 CB 1.487 27 residues pruned to eliminate duplicates Z: 15 15.303 2.235 0.596 0.282 0.857 0.357 CA 1.712 15 residues pruned to eliminate duplicates Z: 50 31.686 2.084 0.771 0.473 0.857 0.592 CB 1.471 50 residues pruned to eliminate duplicates Z: 36 23.089 2.101 0.763 0.408 0.800 0.543 CB 1.450 39 residues pruned to eliminate duplicates Z: 6 2.995 1.485 0.383 0.434 0.800 0.800 C 0.873 6 residues pruned to eliminate duplicates Z: 35 18.558 2.071 0.724 0.291 0.794 0.412 CB 1.420 36 residues pruned to eliminate duplicates Z: 67 25.682 1.981 0.586 0.388 0.818 0.409 CB 1.385 62 residues pruned to eliminate duplicates Z: 9 12.702 1.791 0.644 0.875 0.875 0.625 CB 1.269 9 residues pruned to eliminate duplicates Z: 33 20.333 2.103 0.797 0.355 0.781 0.406 CB 1.424 33 residues pruned to eliminate duplicates Z: 12 11.260 1.690 0.725 0.705 0.909 0.636 CB 1.063 12 residues pruned to eliminate duplicates Z: 38 21.248 2.046 0.767 0.322 0.811 0.378 CB 1.450 37 residues pruned to eliminate duplicates Z: 6 4.948 1.647 0.474 0.399 1.000 0.400 CA 1.015 6 residues pruned to eliminate duplicates Z: 14 11.321 1.891 0.608 0.487 0.846 0.615 CA 1.236 14 residues pruned to eliminate duplicates Z: 6 2.988 1.707 0.423 0.366 1.000 0.400 CA 0.635 6 residues pruned to eliminate duplicates Z: 30 12.901 1.990 0.638 0.308 0.759 0.483 CB 1.198 30 residues pruned to eliminate duplicates Z: 23 10.766 1.989 0.579 0.297 0.727 0.500 CB 1.261 23 residues pruned to eliminate duplicates Z: 11 8.885 2.027 0.462 0.393 0.800 0.600 CB 1.328 11 residues pruned to eliminate duplicates Z: 12 7.921 1.980 0.750 0.383 0.727 0.636 CB 1.073 12 residues pruned to eliminate duplicates Z: 22 12.060 2.067 0.597 0.330 0.762 0.524 CB 1.260 22 residues pruned to eliminate duplicates Z: 12 7.669 2.086 0.508 0.211 0.818 0.364 CB 1.264 12 residues pruned to eliminate duplicates Z: 17 10.276 2.031 0.528 0.374 0.750 0.562 CA 1.262 17 residues pruned to eliminate duplicates Z: 6 4.260 1.618 0.471 0.469 0.800 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 24 11.103 1.975 0.570 0.306 0.739 0.478 CB 1.254 24 residues pruned to eliminate duplicates Z: 24 8.865 2.030 0.418 0.254 0.652 0.391 CB 1.306 24 residues pruned to eliminate duplicates Z: 20 9.665 1.942 0.723 0.267 0.737 0.368 CA 1.172 20 residues pruned to eliminate duplicates Z: 9 6.577 2.068 0.401 0.192 0.875 0.375 CB 1.326 9 residues pruned to eliminate duplicates Z: 17 11.920 1.980 0.903 0.310 0.812 0.562 CB 1.203 17 residues pruned to eliminate duplicates Z: 26 11.192 2.015 0.673 0.256 0.680 0.360 CB 1.292 26 residues pruned to eliminate duplicates Z: 7 4.891 1.476 0.579 0.423 1.000 0.333 O 0.929 7 residues pruned to eliminate duplicates Z: 8 12.303 2.016 0.726 0.506 0.857 0.571 CA 1.549 9 residues pruned to eliminate duplicates Z: 6 3.294 1.636 0.371 0.135 0.800 0.200 CA 1.292 4 residues pruned to eliminate duplicates Z: 6 2.436 1.355 0.255 0.344 1.000 0.400 CB 0.759 3 residues pruned to eliminate duplicates Z: 6 7.820 2.178 0.361 0.435 1.000 0.400 CB 1.261 6 residues pruned to eliminate duplicates Z: 7 6.642 2.061 0.322 0.313 1.000 0.167 CB 1.224 7 residues pruned to eliminate duplicates Z: 15 6.096 1.793 0.219 0.426 0.786 0.214 CB 1.025 15 residues pruned to eliminate duplicates Z: 19 15.742 2.004 0.572 0.409 0.889 0.611 CA 1.457 19 residues pruned to eliminate duplicates Z: 33 12.949 1.865 0.497 0.289 0.812 0.500 CA 1.279 33 residues pruned to eliminate duplicates Z: 27 13.772 1.994 0.484 0.372 0.808 0.538 CB 1.296 27 residues pruned to eliminate duplicates Z: 22 14.583 2.023 0.314 0.431 0.857 0.571 CB 1.500 22 residues pruned to eliminate duplicates Z: 27 13.167 2.025 0.489 0.325 0.808 0.538 CB 1.286 27 residues pruned to eliminate duplicates Z: 13 7.780 1.939 0.463 0.306 0.750 0.417 CA 1.310 22 residues pruned to eliminate duplicates Z: 35 15.549 1.939 0.550 0.376 0.824 0.500 CB 1.230 35 residues pruned to eliminate duplicates Z: 27 16.671 2.100 0.537 0.343 0.808 0.538 CA 1.488 27 residues pruned to eliminate duplicates Z: 29 14.920 1.969 0.503 0.304 0.893 0.500 CA 1.327 29 residues pruned to eliminate duplicates Z: 11 9.993 1.997 0.621 0.502 0.800 0.400 CB 1.218 11 residues pruned to eliminate duplicates Z: 33 18.190 1.990 0.562 0.357 0.906 0.500 CB 1.332 33 residues pruned to eliminate duplicates Z: 11 9.206 1.897 0.556 0.395 0.900 0.300 CB 1.225 11 residues pruned to eliminate duplicates Z: 15 13.854 1.934 0.612 0.450 0.929 0.500 CB 1.346 15 residues pruned to eliminate duplicates Z: 30 13.478 1.950 0.349 0.340 0.897 0.517 CB 1.264 30 residues pruned to eliminate duplicates Z: 31 13.251 1.891 0.446 0.302 0.867 0.500 CB 1.272 31 residues pruned to eliminate duplicates Z: 29 13.760 2.007 0.474 0.314 0.786 0.536 CB 1.374 29 residues pruned to eliminate duplicates Z: 22 9.722 1.877 0.412 0.313 0.857 0.381 CB 1.149 22 residues pruned to eliminate duplicates Z: 21 11.864 1.930 0.560 0.348 0.800 0.400 CB 1.299 21 residues pruned to eliminate duplicates Z: 32 13.581 2.006 0.391 0.376 0.806 0.484 CB 1.237 32 residues pruned to eliminate duplicates Z: 29 13.014 1.941 0.427 0.320 0.857 0.536 CA 1.263 29 residues pruned to eliminate duplicates Z: 43 15.400 1.922 0.470 0.299 0.810 0.524 CB 1.301 43 residues pruned to eliminate duplicates Z: 31 16.009 1.945 0.521 0.354 0.900 0.567 CB 1.285 31 residues pruned to eliminate duplicates Z: 28 14.388 1.959 0.535 0.326 0.889 0.519 CB 1.254 28 residues pruned to eliminate duplicates Z: 27 15.962 2.061 0.501 0.334 0.846 0.692 CB 1.433 27 residues pruned to eliminate duplicates Z: 29 15.659 2.000 0.609 0.301 0.821 0.536 CB 1.397 67 residues pruned to eliminate duplicates Z: 6 3.318 1.655 0.888 0.247 0.600 0.000 CA 1.059 6 residues pruned to eliminate duplicates Z: 35 13.924 1.993 0.501 0.294 0.794 0.471 CB 1.266 35 residues pruned to eliminate duplicates Z: 38 12.900 1.900 0.524 0.268 0.811 0.351 CB 1.176 19 residues pruned to eliminate duplicates Z: 7 2.536 1.752 0.261 0.417 0.667 0.167 CA 0.766 7 residues pruned to eliminate duplicates Z: 55 38.193 2.162 0.530 0.580 0.963 0.593 CB 1.511 55 residues pruned to eliminate duplicates Z: 52 34.856 2.125 0.439 0.565 0.941 0.627 CA 1.593 52 residues pruned to eliminate duplicates Z: 62 47.261 2.228 0.709 0.538 0.951 0.607 CB 1.610 62 residues pruned to eliminate duplicates Z: 71 40.012 2.162 0.607 0.514 0.886 0.571 CB 1.532 71 residues pruned to eliminate duplicates Z: 77 38.007 2.132 0.558 0.484 0.921 0.566 CB 1.449 77 residues pruned to eliminate duplicates Z: 23 29.419 2.229 0.570 0.668 1.000 0.727 CA 1.534 23 residues pruned to eliminate duplicates Z: 39 37.267 2.211 0.602 0.618 0.974 0.711 CB 1.569 39 residues pruned to eliminate duplicates Z: 103 42.144 2.131 0.522 0.467 0.922 0.529 CB 1.443 103 residues pruned to eliminate duplicates Z: 106 39.447 2.074 0.547 0.450 0.895 0.543 CB 1.411 106 residues pruned to eliminate duplicates Z: 87 39.371 2.142 0.553 0.468 0.907 0.593 CB 1.454 87 residues pruned to eliminate duplicates Z: 78 38.606 2.110 0.675 0.492 0.922 0.558 CB 1.361 78 residues pruned to eliminate duplicates Z: 39 39.842 2.163 0.763 0.651 0.947 0.605 CB 1.555 39 residues pruned to eliminate duplicates Z: 36 38.138 2.200 0.650 0.672 0.971 0.571 CB 1.560 36 residues pruned to eliminate duplicates Z: 69 42.997 2.176 0.636 0.527 0.941 0.529 CB 1.515 69 residues pruned to eliminate duplicates Z: 90 39.996 2.099 0.598 0.471 0.910 0.539 CB 1.429 90 residues pruned to eliminate duplicates Z: 21 43.818 2.324 0.768 0.921 1.000 0.750 CB 1.678 21 residues pruned to eliminate duplicates Z: 77 39.705 2.134 0.573 0.489 0.921 0.513 CB 1.491 77 residues pruned to eliminate duplicates Z: 63 40.819 2.098 0.616 0.567 0.919 0.565 CB 1.558 63 residues pruned to eliminate duplicates Z: 70 41.954 2.170 0.705 0.513 0.899 0.551 CB 1.500 70 residues pruned to eliminate duplicates Z: 34 46.660 2.228 0.872 0.679 1.000 0.667 CB 1.652 34 residues pruned to eliminate duplicates Z: 76 42.771 2.162 0.639 0.510 0.947 0.587 CB 1.458 76 residues pruned to eliminate duplicates Z: 64 36.581 2.132 0.659 0.517 0.905 0.524 CB 1.416 64 residues pruned to eliminate duplicates Z: 68 44.871 2.224 0.603 0.549 0.970 0.582 CB 1.512 68 residues pruned to eliminate duplicates Z: 71 40.011 2.159 0.577 0.516 0.943 0.614 CB 1.466 71 residues pruned to eliminate duplicates Z: 51 44.410 2.230 0.564 0.628 0.980 0.660 CB 1.629 51 residues pruned to eliminate duplicates Z: 86 41.551 2.144 0.676 0.475 0.906 0.541 CB 1.421 86 residues pruned to eliminate duplicates Z: 76 45.183 2.161 0.734 0.511 0.933 0.573 CB 1.475 76 residues pruned to eliminate duplicates Z: 69 45.528 2.198 0.691 0.537 0.926 0.588 CB 1.546 69 residues pruned to eliminate duplicates Z: 43 41.064 2.242 0.627 0.652 0.929 0.548 CB 1.624 43 residues pruned to eliminate duplicates Z: 45 42.748 2.159 0.660 0.633 0.977 0.614 CA 1.624 45 residues pruned to eliminate duplicates Z: 70 44.073 2.164 0.720 0.516 0.928 0.420 CB 1.513 70 residues pruned to eliminate duplicates Z: 14 11.439 2.054 0.354 0.441 0.846 0.462 CB 1.433 14 residues pruned to eliminate duplicates Z: 58 42.023 2.169 0.625 0.553 0.965 0.439 CB 1.554 58 residues pruned to eliminate duplicates Z: 48 40.239 2.174 0.612 0.623 0.936 0.596 CB 1.592 48 residues pruned to eliminate duplicates Z: 62 45.065 2.236 0.670 0.576 0.934 0.557 CB 1.537 62 residues pruned to eliminate duplicates Z: 48 46.145 2.241 0.632 0.637 1.000 0.617 CA 1.619 48 residues pruned to eliminate duplicates Z: 68 46.055 2.203 0.693 0.535 0.955 0.597 CB 1.525 68 residues pruned to eliminate duplicates Z: 55 43.869 2.226 0.645 0.577 0.981 0.500 CB 1.542 55 residues pruned to eliminate duplicates Z: 69 44.261 2.172 0.786 0.542 0.897 0.382 CB 1.480 69 residues pruned to eliminate duplicates Z: 64 43.754 2.198 0.723 0.547 0.921 0.397 CB 1.510 64 residues pruned to eliminate duplicates Z: 67 47.917 2.162 0.677 0.579 0.985 0.652 CB 1.530 67 residues pruned to eliminate duplicates Z: 69 43.801 2.191 0.621 0.542 0.956 0.441 CB 1.503 69 residues pruned to eliminate duplicates Z: 102 41.304 2.117 0.599 0.467 0.881 0.554 CB 1.424 102 residues pruned to eliminate duplicates Z: 62 44.494 2.202 0.604 0.558 0.984 0.607 CB 1.551 62 residues pruned to eliminate duplicates Z: 66 44.714 2.177 0.694 0.549 0.969 0.523 CB 1.480 66 residues pruned to eliminate duplicates Z: 72 47.004 2.187 0.729 0.525 0.972 0.493 CB 1.482 72 residues pruned to eliminate duplicates Z: 98 41.565 2.138 0.648 0.458 0.876 0.464 CB 1.427 98 residues pruned to eliminate duplicates Z: 79 40.762 2.110 0.713 0.527 0.936 0.423 CB 1.328 79 residues pruned to eliminate duplicates Z: 72 42.403 2.177 0.656 0.517 0.930 0.535 CB 1.477 72 residues pruned to eliminate duplicates Z: 20 14.378 2.051 0.882 0.331 0.895 0.526 CB 1.149 20 residues pruned to eliminate duplicates Z: 59 45.968 2.212 0.812 0.572 0.897 0.517 CB 1.568 59 residues pruned to eliminate duplicates Z: 64 44.493 2.233 0.652 0.556 0.921 0.556 CB 1.563 64 residues pruned to eliminate duplicates Z: 17 14.435 1.974 0.786 0.360 0.875 0.562 CB 1.360 17 residues pruned to eliminate duplicates Z: 63 48.443 2.222 0.777 0.560 0.935 0.516 CB 1.571 63 residues pruned to eliminate duplicates Z: 27 14.950 2.032 0.621 0.294 0.885 0.500 CB 1.268 27 residues pruned to eliminate duplicates Z: 22 15.502 1.986 0.601 0.402 0.810 0.524 CB 1.457 22 residues pruned to eliminate duplicates Z: 21 11.459 2.002 0.590 0.255 0.800 0.350 CB 1.332 20 residues pruned to eliminate duplicates Z: 6 3.127 1.393 0.778 0.380 0.600 0.400 CA 1.068 Z: 60 49.012 2.236 0.635 0.584 0.966 0.627 CA 1.668 60 residues pruned to eliminate duplicates Z: 69 44.967 2.191 0.674 0.527 0.956 0.500 CB 1.515 69 residues pruned to eliminate duplicates Z: 59 38.410 2.162 0.552 0.543 0.914 0.517 CB 1.577 59 residues pruned to eliminate duplicates Z: 8 3.231 1.740 0.080 0.209 0.714 0.143 CB 1.283 14 residues pruned to eliminate duplicates Z: 9 9.991 1.783 0.330 0.580 0.875 0.250 CA 1.577 10 residues pruned to eliminate duplicates Z: 7 3.410 1.884 0.060 0.379 0.500 0.000 CA 1.585 7 residues pruned to eliminate duplicates Z: 17 8.969 1.882 0.805 0.245 0.688 0.438 CB 1.290 17 residues pruned to eliminate duplicates Z: 10 12.615 2.155 0.829 0.298 0.889 0.444 CB 1.505 10 residues pruned to eliminate duplicates Z: 9 8.636 2.047 0.785 0.287 0.750 0.500 CA 1.415 9 residues pruned to eliminate duplicates Z: 15 10.539 1.840 0.619 0.292 0.929 0.571 CB 1.286 15 residues pruned to eliminate duplicates Z: 15 11.958 2.006 0.831 0.319 0.786 0.500 CB 1.352 15 residues pruned to eliminate duplicates Z: 17 10.889 1.900 0.642 0.275 0.812 0.375 CA 1.385 17 residues pruned to eliminate duplicates Z: 11 10.698 2.093 0.868 0.281 0.800 0.500 CB 1.385 11 residues pruned to eliminate duplicates Z: 15 11.978 1.961 0.734 0.305 0.857 0.429 CA 1.365 16 residues pruned to eliminate duplicates Z: 6 3.011 1.639 0.451 0.146 0.600 0.400 N 1.460 6 residues pruned to eliminate duplicates Z: 12 7.482 1.700 0.463 0.363 0.818 0.364 CA 1.285 12 residues pruned to eliminate duplicates Z: 9 10.583 1.997 0.551 0.445 0.875 0.375 CB 1.462 9 residues pruned to eliminate duplicates Z: 39 16.116 1.932 0.440 0.301 0.816 0.500 CB 1.438 39 residues pruned to eliminate duplicates Z: 14 8.274 1.807 0.535 0.276 0.846 0.308 CA 1.260 14 residues pruned to eliminate duplicates Z: 7 4.742 1.427 0.651 0.391 0.833 0.667 N 1.107 7 residues pruned to eliminate duplicates Z: 38 17.239 1.927 0.451 0.346 0.892 0.514 CB 1.344 38 residues pruned to eliminate duplicates Z: 40 15.653 1.928 0.483 0.308 0.821 0.436 CB 1.322 40 residues pruned to eliminate duplicates Z: 37 17.252 1.934 0.539 0.317 0.833 0.500 CB 1.420 37 residues pruned to eliminate duplicates Z: 34 17.101 1.958 0.536 0.343 0.848 0.545 CB 1.384 34 residues pruned to eliminate duplicates Z: 33 14.605 1.961 0.526 0.353 0.750 0.594 CB 1.349 33 residues pruned to eliminate duplicates Z: 34 15.624 1.948 0.575 0.337 0.788 0.485 CB 1.345 34 residues pruned to eliminate duplicates Z: 24 10.615 1.843 0.474 0.294 0.783 0.435 CB 1.310 24 residues pruned to eliminate duplicates Z: 25 15.725 1.964 0.588 0.380 0.917 0.583 CB 1.276 25 residues pruned to eliminate duplicates Z: 35 18.479 1.980 0.590 0.343 0.853 0.529 CB 1.400 35 residues pruned to eliminate duplicates Z: 23 16.361 2.009 0.579 0.363 0.909 0.500 CB 1.402 23 residues pruned to eliminate duplicates Z: 25 16.979 1.944 0.638 0.391 0.833 0.667 CA 1.466 25 residues pruned to eliminate duplicates Z: 23 17.434 2.032 0.639 0.393 0.864 0.591 CB 1.447 23 residues pruned to eliminate duplicates Z: 26 14.644 1.928 0.570 0.328 0.880 0.520 CB 1.327 26 residues pruned to eliminate duplicates Z: 24 14.293 1.953 0.623 0.337 0.826 0.435 CB 1.360 24 residues pruned to eliminate duplicates Z: 37 15.944 1.953 0.375 0.316 0.889 0.472 CB 1.364 37 residues pruned to eliminate duplicates Z: 27 16.793 1.932 0.572 0.364 0.846 0.577 CB 1.482 27 residues pruned to eliminate duplicates Z: 37 19.523 1.930 0.581 0.357 0.833 0.528 CA 1.494 37 residues pruned to eliminate duplicates Z: 26 15.943 1.929 0.620 0.387 0.840 0.480 CB 1.370 26 residues pruned to eliminate duplicates Z: 37 19.473 1.933 0.514 0.383 0.861 0.500 CA 1.459 37 residues pruned to eliminate duplicates Z: 10 7.625 1.959 0.523 0.311 0.778 0.444 CA 1.351 10 residues pruned to eliminate duplicates Z: 24 15.452 1.989 0.617 0.376 0.826 0.565 CB 1.384 24 residues pruned to eliminate duplicates Z: 32 16.777 1.913 0.599 0.311 0.839 0.387 CB 1.448 29 residues pruned to eliminate duplicates Z: 6 6.658 1.888 0.353 0.392 1.000 0.400 CA 1.307 6 residues pruned to eliminate duplicates Z: 11 7.339 1.914 0.638 0.228 0.700 0.400 N 1.453 11 residues pruned to eliminate duplicates Z: 9 8.360 1.989 0.524 0.279 0.875 0.500 CA 1.430 9 residues pruned to eliminate duplicates Z: 14 8.876 1.712 0.542 0.460 0.846 0.462 CB 1.148 14 residues pruned to eliminate duplicates Z: 13 10.020 1.715 0.651 0.504 0.750 0.333 CB 1.357 13 residues pruned to eliminate duplicates Z: 7 13.852 1.912 0.579 0.804 1.000 0.000 CA 1.436 8 residues pruned to eliminate duplicates Z: 9 14.334 1.791 0.618 0.847 1.000 0.750 CA 1.299 8 residues pruned to eliminate duplicates Z: 9 10.065 1.680 0.602 0.861 0.750 0.375 CA 1.296 9 residues pruned to eliminate duplicates Z: 9 11.489 1.793 0.308 0.863 1.000 0.625 CA 1.271 9 residues pruned to eliminate duplicates 694 residues left after pruning, divided into chains as follows: A: 9 B: 9 C: 8 D: 12 E: 12 F: 7 G: 35 H: 7 I: 14 J: 15 K: 32 L: 21 M: 6 N: 59 O: 62 P: 9 Q: 14 R: 46 S: 9 T: 112 U: 19 V: 9 W: 34 X: 61 Y: 9 Z: 7 Z: 9 Z: 40 Z: 8 CC for partial structure against native data = 25.95 % ------------------------------------------------------------------------------ Global autotracing cycle 10 = 0.300, Contrast = 0.389, Connect. = 0.690 for dens.mod. cycle 1 = 0.300, Contrast = 0.449, Connect. = 0.712 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.746 for dens.mod. cycle 3 = 0.300, Contrast = 0.537, Connect. = 0.750 for dens.mod. cycle 4 = 0.300, Contrast = 0.546, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.551, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.764 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6528 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1274 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 16.316 2.116 0.771 0.432 0.833 0.583 C 1.618 B: 18 21.134 2.075 0.423 0.906 1.000 0.882 CB 1.235 C: 11 15.221 1.955 0.514 0.886 0.900 0.900 CB 1.303 D: 12 31.037 2.257 0.729 0.846 1.000 0.636 CA 1.782 E: 26 18.797 2.191 0.604 0.288 0.880 0.480 CA 1.543 16 residues pruned to eliminate duplicates F: 15 21.904 1.954 0.744 0.791 0.929 0.857 CB 1.433 15 residues pruned to eliminate duplicates G: 18 24.702 2.027 0.562 0.925 1.000 0.647 CB 1.328 18 residues pruned to eliminate duplicates H: 23 38.170 2.178 0.532 0.884 1.000 0.864 CB 1.763 12 residues pruned to eliminate duplicates I: 10 16.648 1.973 0.662 0.900 0.889 0.556 CA 1.360 10 residues pruned to eliminate duplicates J: 32 19.348 2.039 0.677 0.347 0.871 0.548 CB 1.377 K: 21 35.009 2.305 0.455 0.883 1.000 0.700 CB 1.689 22 residues pruned to eliminate duplicates L: 10 9.663 2.036 0.190 0.828 0.667 0.333 CA 1.502 10 residues pruned to eliminate duplicates M: 17 23.172 2.094 0.535 0.925 1.000 0.938 CB 1.265 17 residues pruned to eliminate duplicates N: 22 30.378 2.184 0.345 0.903 1.000 0.905 CB 1.608 22 residues pruned to eliminate duplicates O: 18 26.658 2.079 0.626 0.916 1.000 0.882 CA 1.351 P: 22 33.063 2.221 0.587 0.875 0.952 0.619 CB 1.562 22 residues pruned to eliminate duplicates Q: 13 5.462 1.558 0.489 0.403 0.917 0.417 CB 0.821 R: 21 24.608 1.912 0.529 0.872 0.900 0.750 CB 1.525 S: 19 24.868 2.062 0.439 0.897 0.944 0.667 CA 1.497 18 residues pruned to eliminate duplicates T: 22 37.713 2.260 0.564 0.910 0.952 0.619 CB 1.734 22 residues pruned to eliminate duplicates U: 13 14.733 1.937 0.116 0.919 1.000 1.000 CB 1.386 14 residues pruned to eliminate duplicates V: 10 11.379 1.916 0.913 0.459 0.889 0.667 CB 1.214 10 residues pruned to eliminate duplicates W: 20 23.960 2.016 0.622 0.865 0.947 0.579 CA 1.300 20 residues pruned to eliminate duplicates X: 18 19.667 2.010 0.357 0.879 1.000 0.882 CB 1.269 18 residues pruned to eliminate duplicates Y: 9 13.901 1.923 0.702 0.804 0.875 0.875 CA 1.316 Z: 26 32.753 2.054 0.757 0.693 0.960 0.800 CB 1.585 20 residues pruned to eliminate duplicates Z: 13 21.195 2.276 0.575 0.908 0.917 0.917 CB 1.322 13 residues pruned to eliminate duplicates Z: 21 37.622 2.324 0.447 0.923 1.000 0.950 CB 1.757 22 residues pruned to eliminate duplicates Z: 13 17.771 1.854 0.494 0.819 1.000 0.917 CA 1.404 13 residues pruned to eliminate duplicates Z: 32 17.344 2.001 0.540 0.508 0.839 0.516 CB 1.196 23 residues pruned to eliminate duplicates Z: 14 9.508 1.915 0.519 0.344 0.846 0.538 CA 1.270 5 residues pruned to eliminate duplicates Z: 22 27.758 2.184 0.186 0.898 1.000 0.857 CB 1.673 22 residues pruned to eliminate duplicates Z: 18 19.315 2.018 0.531 0.928 0.941 0.882 CB 1.128 18 residues pruned to eliminate duplicates Z: 11 16.490 2.050 0.729 0.458 1.000 0.900 CB 1.537 12 residues pruned to eliminate duplicates Z: 8 11.566 1.928 0.395 0.711 0.857 0.714 CA 1.565 Z: 40 18.748 1.917 0.640 0.331 0.846 0.615 CA 1.359 Z: 21 17.120 1.913 0.513 0.592 0.850 0.650 CB 1.425 21 residues pruned to eliminate duplicates Z: 9 13.514 1.731 0.441 0.811 1.000 0.500 O 1.461 9 residues pruned to eliminate duplicates Z: 21 12.239 1.789 0.531 0.325 0.900 0.600 CB 1.345 Z: 7 11.072 1.868 0.151 0.862 1.000 0.833 C 1.544 7 residues pruned to eliminate duplicates Z: 9 9.578 1.733 0.262 0.864 1.000 0.875 CB 1.136 Z: 26 14.174 2.025 0.489 0.324 0.840 0.480 CB 1.359 Z: 23 21.714 2.031 0.846 0.541 1.000 0.545 CB 1.186 Z: 31 21.584 2.061 0.679 0.397 0.833 0.500 CB 1.523 31 residues pruned to eliminate duplicates Z: 13 14.036 1.791 0.491 0.577 1.000 0.833 CA 1.409 Z: 18 18.582 1.894 0.273 0.906 1.000 0.941 CB 1.330 18 residues pruned to eliminate duplicates Z: 23 36.526 2.142 0.610 0.885 1.000 0.682 CA 1.631 22 residues pruned to eliminate duplicates Z: 19 13.898 1.945 0.856 0.343 0.778 0.500 CA 1.384 Z: 37 21.024 2.032 0.579 0.507 0.917 0.528 CB 1.183 37 residues pruned to eliminate duplicates Z: 20 20.990 1.917 0.429 0.876 0.842 0.526 CA 1.517 20 residues pruned to eliminate duplicates Z: 10 8.517 1.552 0.419 0.863 1.000 0.778 CB 0.946 10 residues pruned to eliminate duplicates Z: 19 17.742 1.900 0.377 0.855 0.889 0.722 CB 1.327 19 residues pruned to eliminate duplicates Z: 11 14.870 1.878 0.737 0.859 1.000 0.500 CA 1.061 11 residues pruned to eliminate duplicates Z: 10 9.269 1.638 0.268 0.704 0.889 0.556 O 1.390 Z: 9 10.659 1.642 0.369 0.783 1.000 0.625 C 1.306 9 residues pruned to eliminate duplicates Z: 18 38.144 2.265 0.857 0.895 0.941 0.471 CB 1.676 19 residues pruned to eliminate duplicates Z: 7 7.410 1.762 0.072 0.871 0.833 0.667 CB 1.402 7 residues pruned to eliminate duplicates Z: 27 28.441 2.028 0.564 0.742 1.000 0.769 CB 1.417 27 residues pruned to eliminate duplicates Z: 12 16.975 1.929 0.666 0.882 0.818 0.727 CA 1.408 10 residues pruned to eliminate duplicates Z: 51 35.401 2.159 0.830 0.471 0.880 0.540 CB 1.483 41 residues pruned to eliminate duplicates Z: 34 15.901 1.812 0.534 0.388 0.848 0.576 CB 1.321 Z: 61 40.496 2.031 0.785 0.577 0.900 0.700 CB 1.489 45 residues pruned to eliminate duplicates Z: 19 37.334 2.355 0.703 0.920 0.889 0.444 CB 1.738 19 residues pruned to eliminate duplicates Z: 31 15.835 1.998 0.341 0.391 0.833 0.500 CB 1.452 Z: 48 39.864 2.010 0.735 0.686 0.957 0.660 CB 1.468 48 residues pruned to eliminate duplicates Z: 7 3.365 1.686 0.404 0.501 1.000 0.500 CB 0.580 Z: 37 18.803 1.917 0.633 0.321 0.833 0.528 CA 1.463 37 residues pruned to eliminate duplicates Z: 19 11.462 2.083 0.437 0.247 0.833 0.444 CB 1.451 Z: 46 21.245 1.931 0.548 0.464 0.889 0.622 CB 1.236 24 residues pruned to eliminate duplicates Z: 21 52.860 2.295 1.045 0.925 1.000 0.700 CA 1.767 21 residues pruned to eliminate duplicates Z: 31 17.524 2.010 0.561 0.377 0.800 0.500 CA 1.454 11 residues pruned to eliminate duplicates Z: 47 41.828 2.043 0.781 0.694 0.957 0.478 CA 1.484 41 residues pruned to eliminate duplicates Z: 41 30.248 2.102 0.721 0.476 0.925 0.550 CB 1.465 40 residues pruned to eliminate duplicates Z: 17 19.378 1.993 0.295 0.892 0.938 0.688 CB 1.438 17 residues pruned to eliminate duplicates Z: 19 15.695 2.043 0.875 0.345 0.778 0.556 CA 1.469 21 residues pruned to eliminate duplicates Z: 21 53.092 2.347 0.937 0.928 1.000 0.850 CB 1.828 21 residues pruned to eliminate duplicates Z: 20 13.580 1.838 0.550 0.498 0.895 0.737 CA 1.225 19 residues pruned to eliminate duplicates Z: 38 28.864 1.958 0.799 0.589 0.865 0.595 CB 1.430 38 residues pruned to eliminate duplicates Z: 19 14.854 1.892 0.525 0.734 0.722 0.389 CB 1.361 19 residues pruned to eliminate duplicates Z: 65 39.855 1.986 0.757 0.565 0.906 0.641 CB 1.479 69 residues pruned to eliminate duplicates Z: 21 27.422 1.939 0.746 0.891 0.950 0.700 CA 1.371 21 residues pruned to eliminate duplicates Z: 26 19.242 2.158 0.566 0.353 0.960 0.440 CB 1.391 26 residues pruned to eliminate duplicates Z: 23 12.412 1.962 0.494 0.325 0.818 0.500 CB 1.337 Z: 60 39.271 2.016 0.709 0.613 0.915 0.525 CA 1.457 66 residues pruned to eliminate duplicates Z: 16 13.210 2.028 0.487 0.411 0.867 0.533 CB 1.432 15 residues pruned to eliminate duplicates Z: 15 16.705 1.946 0.268 0.921 1.000 1.000 CA 1.273 15 residues pruned to eliminate duplicates Z: 6 2.498 1.517 0.058 0.293 0.800 0.600 CB 1.097 Z: 19 27.913 2.024 0.792 0.944 1.000 0.944 CB 1.256 19 residues pruned to eliminate duplicates Z: 22 39.607 2.223 0.787 0.921 0.952 0.762 CB 1.608 22 residues pruned to eliminate duplicates Z: 29 19.148 1.976 0.625 0.479 0.929 0.571 CB 1.240 25 residues pruned to eliminate duplicates Z: 9 11.709 1.857 0.753 0.578 0.875 0.750 CA 1.349 8 residues pruned to eliminate duplicates Z: 9 9.530 1.603 0.225 0.824 1.000 0.625 CA 1.296 9 residues pruned to eliminate duplicates Z: 23 41.132 2.211 0.763 0.919 0.955 0.773 CA 1.661 23 residues pruned to eliminate duplicates Z: 8 13.956 1.890 0.709 0.862 1.000 1.000 CA 1.199 8 residues pruned to eliminate duplicates Z: 15 8.480 1.851 0.363 0.311 0.786 0.643 CB 1.410 15 residues pruned to eliminate duplicates Z: 32 19.213 1.826 0.686 0.487 0.903 0.548 CB 1.258 35 residues pruned to eliminate duplicates Z: 7 12.678 1.964 1.296 0.652 0.833 0.667 CA 1.196 7 residues pruned to eliminate duplicates Z: 36 31.515 2.013 0.787 0.612 0.914 0.571 CA 1.456 36 residues pruned to eliminate duplicates Z: 15 11.184 1.868 0.509 0.357 0.857 0.500 CB 1.444 15 residues pruned to eliminate duplicates Z: 20 10.727 1.829 0.331 0.325 0.947 0.579 CA 1.294 15 residues pruned to eliminate duplicates Z: 14 17.063 2.015 0.344 0.871 0.923 0.692 CA 1.381 14 residues pruned to eliminate duplicates Z: 24 14.734 1.979 1.019 0.341 0.870 0.435 CB 1.051 24 residues pruned to eliminate duplicates Z: 40 23.945 2.064 0.687 0.439 0.872 0.538 CB 1.344 81 residues pruned to eliminate duplicates Z: 11 4.709 1.581 0.695 0.553 0.900 0.700 CB 0.586 11 residues pruned to eliminate duplicates Z: 14 9.122 1.884 0.328 0.349 0.923 0.385 CA 1.291 14 residues pruned to eliminate duplicates Z: 28 25.967 2.176 0.845 0.439 0.889 0.593 CB 1.491 28 residues pruned to eliminate duplicates Z: 12 8.116 2.109 0.305 0.434 0.727 0.636 CB 1.309 12 residues pruned to eliminate duplicates Z: 12 20.282 1.895 0.676 0.899 1.000 0.727 CB 1.375 12 residues pruned to eliminate duplicates Z: 15 7.965 2.073 0.218 0.474 0.714 0.500 CB 1.212 15 residues pruned to eliminate duplicates Z: 14 9.609 1.881 0.618 0.379 0.923 0.692 CB 1.079 Z: 19 11.113 1.847 0.372 0.416 0.944 0.611 CB 1.194 19 residues pruned to eliminate duplicates Z: 20 8.184 1.737 0.300 0.327 0.895 0.474 CB 1.123 20 residues pruned to eliminate duplicates Z: 28 14.835 2.006 0.536 0.442 0.852 0.444 CB 1.155 29 residues pruned to eliminate duplicates Z: 19 10.828 1.879 0.397 0.312 0.944 0.556 CB 1.269 Z: 11 10.848 1.957 0.263 0.678 0.800 0.600 CB 1.473 11 residues pruned to eliminate duplicates Z: 17 8.112 1.734 0.543 0.358 0.875 0.438 CA 1.010 15 residues pruned to eliminate duplicates Z: 47 35.331 2.036 0.740 0.548 0.957 0.739 CB 1.467 41 residues pruned to eliminate duplicates Z: 21 41.291 2.312 0.603 0.927 1.000 0.700 CB 1.746 21 residues pruned to eliminate duplicates Z: 8 10.652 1.709 0.341 0.908 1.000 0.714 CA 1.247 8 residues pruned to eliminate duplicates Z: 15 23.603 2.137 0.495 0.898 1.000 0.714 CA 1.412 15 residues pruned to eliminate duplicates Z: 16 8.475 1.993 0.496 0.304 0.733 0.467 CB 1.245 Z: 9 11.912 1.691 0.419 0.841 1.000 0.625 CA 1.309 10 residues pruned to eliminate duplicates Z: 12 10.969 1.789 0.434 0.506 0.909 0.727 CA 1.410 12 residues pruned to eliminate duplicates Z: 47 38.179 2.046 0.648 0.665 0.978 0.587 CA 1.465 47 residues pruned to eliminate duplicates Z: 12 16.487 1.689 0.463 0.910 1.000 1.000 CA 1.427 12 residues pruned to eliminate duplicates Z: 17 10.357 1.947 0.359 0.360 1.000 0.625 CA 1.138 18 residues pruned to eliminate duplicates Z: 22 44.924 2.239 0.838 0.891 1.000 0.810 CB 1.712 22 residues pruned to eliminate duplicates Z: 21 47.747 2.369 0.798 0.924 1.000 0.650 CB 1.761 21 residues pruned to eliminate duplicates Z: 21 30.518 1.974 0.736 0.907 0.950 0.500 CB 1.489 21 residues pruned to eliminate duplicates Z: 10 19.207 1.923 0.816 0.893 1.000 0.667 CA 1.317 10 residues pruned to eliminate duplicates Z: 11 7.250 1.907 0.276 0.470 0.800 0.700 CB 1.215 Z: 9 4.171 1.710 0.191 0.442 0.625 0.625 CB 1.230 Z: 8 9.101 2.047 0.224 0.599 0.857 0.857 CA 1.457 8 residues pruned to eliminate duplicates Z: 8 5.329 1.809 0.069 0.596 0.857 0.714 N 1.109 Z: 9 16.954 2.027 0.506 0.900 1.000 0.750 CA 1.402 9 residues pruned to eliminate duplicates Z: 8 4.481 1.629 0.455 0.423 0.714 0.429 CB 1.083 Z: 11 13.585 1.891 0.230 0.901 1.000 0.800 CB 1.319 11 residues pruned to eliminate duplicates Z: 15 10.506 2.084 0.583 0.354 0.857 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 16 10.853 1.846 0.282 0.366 0.933 0.533 CB 1.465 16 residues pruned to eliminate duplicates Z: 12 13.369 1.934 0.490 0.445 1.000 0.636 N 1.479 13 residues pruned to eliminate duplicates Z: 34 15.760 1.939 0.478 0.354 0.879 0.515 CA 1.275 33 residues pruned to eliminate duplicates Z: 20 29.985 2.065 0.557 0.906 1.000 0.737 CA 1.522 20 residues pruned to eliminate duplicates Z: 21 13.600 1.885 0.483 0.409 0.950 0.600 CA 1.259 19 residues pruned to eliminate duplicates Z: 21 39.358 2.343 0.614 0.931 0.950 0.600 CB 1.712 21 residues pruned to eliminate duplicates Z: 11 11.754 1.808 0.498 0.578 0.900 0.700 CB 1.415 Z: 20 22.986 1.906 0.556 0.931 1.000 0.895 CB 1.242 20 residues pruned to eliminate duplicates Z: 28 21.678 2.044 0.775 0.528 0.926 0.556 CB 1.208 27 residues pruned to eliminate duplicates Z: 9 9.441 1.611 0.496 0.855 1.000 0.750 CB 1.022 8 residues pruned to eliminate duplicates Z: 13 4.291 1.578 0.252 0.344 0.750 0.500 CA 0.991 13 residues pruned to eliminate duplicates Z: 20 12.314 1.932 0.414 0.374 0.842 0.579 CB 1.405 20 residues pruned to eliminate duplicates Z: 11 16.795 1.855 0.607 0.835 1.000 0.800 CA 1.335 11 residues pruned to eliminate duplicates Z: 10 10.331 1.854 0.431 0.554 0.889 0.667 CB 1.386 10 residues pruned to eliminate duplicates Z: 20 8.685 1.883 0.193 0.275 0.895 0.579 CA 1.278 20 residues pruned to eliminate duplicates Z: 9 6.092 1.631 0.144 0.424 1.000 0.500 CB 1.249 8 residues pruned to eliminate duplicates Z: 12 11.156 1.810 0.093 0.739 1.000 0.727 CB 1.373 Z: 12 9.196 2.074 0.196 0.441 0.818 0.455 CB 1.453 12 residues pruned to eliminate duplicates Z: 20 20.078 1.924 0.273 0.856 0.947 0.789 CB 1.464 20 residues pruned to eliminate duplicates Z: 6 3.837 1.728 -0.192 0.676 0.800 0.600 O 1.307 Z: 9 10.018 1.711 0.497 0.848 1.000 0.500 CA 1.026 9 residues pruned to eliminate duplicates Z: 21 42.120 2.296 0.644 0.919 1.000 0.500 CB 1.758 21 residues pruned to eliminate duplicates Z: 13 12.108 2.140 0.427 0.439 0.833 0.583 CB 1.462 13 residues pruned to eliminate duplicates Z: 6 3.692 1.955 -0.135 0.545 0.800 0.800 CB 1.168 6 residues pruned to eliminate duplicates Z: 24 12.177 1.960 0.328 0.398 0.783 0.435 CB 1.388 24 residues pruned to eliminate duplicates Z: 27 11.670 1.875 0.334 0.298 0.846 0.577 CA 1.355 23 residues pruned to eliminate duplicates Z: 7 4.796 1.762 0.396 0.620 0.833 0.500 CB 0.853 7 residues pruned to eliminate duplicates Z: 12 14.905 1.866 0.536 0.624 1.000 0.909 CA 1.395 13 residues pruned to eliminate duplicates Z: 6 5.869 1.509 0.432 0.628 1.000 0.600 CB 1.077 7 residues pruned to eliminate duplicates Z: 12 10.069 1.971 0.542 0.362 0.909 0.455 CB 1.275 11 residues pruned to eliminate duplicates Z: 13 10.070 1.789 0.252 0.432 0.917 0.250 CA 1.519 9 residues pruned to eliminate duplicates Z: 32 38.033 2.109 0.704 0.727 1.000 0.581 CA 1.550 32 residues pruned to eliminate duplicates Z: 20 26.228 1.961 0.575 0.922 0.895 0.684 CB 1.531 20 residues pruned to eliminate duplicates Z: 21 10.194 1.831 0.307 0.370 0.900 0.450 CA 1.217 21 residues pruned to eliminate duplicates Z: 9 10.140 1.857 0.464 0.558 0.875 0.750 CA 1.424 9 residues pruned to eliminate duplicates Z: 19 12.120 1.893 0.472 0.307 0.944 0.500 CA 1.345 19 residues pruned to eliminate duplicates Z: 10 12.014 1.770 0.620 0.774 0.889 0.333 CA 1.233 10 residues pruned to eliminate duplicates Z: 7 7.042 1.801 0.528 0.513 0.833 0.500 CB 1.238 Z: 6 2.921 1.669 -0.229 0.433 0.800 0.600 CB 1.360 Z: 6 6.433 1.816 0.347 0.389 1.000 0.400 CA 1.324 4 residues pruned to eliminate duplicates Z: 6 9.509 1.794 0.875 0.577 0.800 0.800 CA 1.467 6 residues pruned to eliminate duplicates Z: 7 8.727 1.742 0.564 0.623 1.000 0.500 CB 1.164 Z: 15 8.523 1.887 0.442 0.263 0.857 0.429 CA 1.281 15 residues pruned to eliminate duplicates Z: 9 9.629 1.830 0.420 0.568 0.875 0.875 CB 1.403 9 residues pruned to eliminate duplicates Z: 29 23.432 1.948 0.503 0.624 0.929 0.643 CB 1.449 29 residues pruned to eliminate duplicates Z: 12 15.301 1.906 0.597 0.604 1.000 0.909 CB 1.373 12 residues pruned to eliminate duplicates Z: 15 13.433 2.095 0.233 0.422 0.929 0.429 CA 1.625 15 residues pruned to eliminate duplicates Z: 14 10.595 1.879 0.415 0.436 0.846 0.692 CB 1.395 16 residues pruned to eliminate duplicates Z: 34 11.874 1.967 0.362 0.324 0.788 0.515 CB 1.189 29 residues pruned to eliminate duplicates Z: 53 36.387 2.127 0.736 0.507 0.923 0.596 CB 1.470 53 residues pruned to eliminate duplicates Z: 14 11.313 1.955 0.421 0.408 0.846 0.538 CA 1.469 14 residues pruned to eliminate duplicates Z: 22 10.411 1.893 0.303 0.339 0.952 0.571 CB 1.153 22 residues pruned to eliminate duplicates Z: 7 2.441 1.464 0.916 0.249 0.667 0.333 N 0.711 Z: 14 7.267 1.872 0.402 0.319 0.769 0.462 CA 1.218 14 residues pruned to eliminate duplicates Z: 11 9.388 1.964 0.339 0.572 0.900 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 12 9.988 1.934 0.113 0.879 0.909 0.818 CB 1.116 11 residues pruned to eliminate duplicates Z: 27 13.188 1.809 0.417 0.412 0.846 0.538 CB 1.308 35 residues pruned to eliminate duplicates Z: 29 31.824 2.032 0.749 0.672 0.929 0.750 CB 1.555 29 residues pruned to eliminate duplicates Z: 11 6.682 1.800 0.473 0.327 0.800 0.300 CA 1.206 Z: 27 26.581 2.014 0.647 0.718 0.923 0.808 CB 1.398 27 residues pruned to eliminate duplicates Z: 20 20.347 1.900 0.370 0.853 1.000 0.737 CA 1.326 20 residues pruned to eliminate duplicates Z: 33 27.047 1.950 0.519 0.685 0.969 0.875 CB 1.406 35 residues pruned to eliminate duplicates Z: 21 26.815 2.154 0.317 0.929 1.000 0.850 CB 1.478 21 residues pruned to eliminate duplicates Z: 10 7.416 1.859 0.660 0.305 0.778 0.333 CB 1.279 6 residues pruned to eliminate duplicates Z: 16 14.631 2.015 0.674 0.564 0.867 0.600 CB 1.215 16 residues pruned to eliminate duplicates Z: 7 4.843 1.878 0.192 0.386 0.667 0.500 CA 1.495 7 residues pruned to eliminate duplicates Z: 6 2.890 1.496 0.148 0.650 0.800 0.600 CB 0.818 6 residues pruned to eliminate duplicates Z: 6 2.712 1.647 -0.276 0.545 0.800 0.400 CA 1.217 Z: 29 21.455 1.963 0.963 0.374 0.857 0.464 CA 1.405 29 residues pruned to eliminate duplicates Z: 19 13.572 1.953 0.741 0.417 0.944 0.611 CB 1.086 19 residues pruned to eliminate duplicates Z: 11 13.789 1.868 0.262 0.893 1.000 0.900 CA 1.328 11 residues pruned to eliminate duplicates Z: 7 3.735 1.794 -0.029 0.526 0.833 0.500 CB 1.024 7 residues pruned to eliminate duplicates Z: 17 25.486 2.064 0.549 0.896 1.000 0.750 CB 1.427 17 residues pruned to eliminate duplicates Z: 8 12.526 1.916 0.704 0.788 1.000 0.714 CA 1.126 8 residues pruned to eliminate duplicates Z: 30 11.107 1.980 0.338 0.277 0.759 0.483 CB 1.320 30 residues pruned to eliminate duplicates Z: 20 13.742 1.995 0.436 0.378 0.842 0.474 CB 1.489 20 residues pruned to eliminate duplicates Z: 18 16.362 2.009 0.778 0.338 0.941 0.529 CA 1.408 18 residues pruned to eliminate duplicates Z: 8 4.986 1.516 -0.131 0.658 1.000 0.571 C 1.236 Z: 7 3.884 1.813 -0.180 0.368 0.833 0.500 C 1.476 Z: 14 9.502 1.776 0.566 0.454 0.769 0.538 CA 1.292 16 residues pruned to eliminate duplicates Z: 14 12.142 1.937 0.123 0.794 0.923 0.692 CA 1.296 14 residues pruned to eliminate duplicates Z: 34 13.702 1.970 0.444 0.346 0.848 0.545 CB 1.167 31 residues pruned to eliminate duplicates Z: 22 15.275 1.929 0.575 0.477 0.952 0.619 CB 1.180 22 residues pruned to eliminate duplicates Z: 10 6.887 1.637 0.658 0.548 0.889 0.556 CB 0.908 10 residues pruned to eliminate duplicates Z: 15 5.597 1.824 0.024 0.305 0.857 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 49 36.454 2.019 0.621 0.673 0.917 0.625 CA 1.495 49 residues pruned to eliminate duplicates Z: 7 2.889 1.578 0.360 0.489 0.667 0.500 CB 0.834 Z: 7 2.822 1.497 0.489 0.249 0.667 0.500 CB 1.035 Z: 7 5.562 1.586 0.260 0.800 1.000 0.833 N 0.874 Z: 7 5.196 1.758 0.346 0.505 1.000 0.833 CB 0.892 Z: 19 9.691 1.884 0.338 0.246 0.889 0.444 CB 1.366 19 residues pruned to eliminate duplicates Z: 19 27.553 1.953 0.867 0.902 1.000 0.667 CA 1.271 19 residues pruned to eliminate duplicates Z: 22 24.205 1.784 0.880 0.790 0.905 0.571 CB 1.349 22 residues pruned to eliminate duplicates Z: 7 9.349 1.774 0.576 0.763 1.000 0.833 CA 1.081 13 residues pruned to eliminate duplicates Z: 26 12.507 1.872 0.412 0.417 0.840 0.640 CB 1.228 26 residues pruned to eliminate duplicates Z: 10 10.562 1.696 0.314 0.831 0.889 0.778 CA 1.335 10 residues pruned to eliminate duplicates Z: 15 7.278 1.817 0.412 0.311 0.714 0.286 CA 1.309 15 residues pruned to eliminate duplicates Z: 22 14.369 1.921 0.779 0.360 0.857 0.571 CA 1.245 22 residues pruned to eliminate duplicates Z: 6 7.001 1.794 0.735 0.800 1.000 0.800 CB 0.774 7 residues pruned to eliminate duplicates Z: 30 10.783 1.851 0.334 0.320 0.828 0.448 CB 1.194 22 residues pruned to eliminate duplicates Z: 13 11.216 1.812 0.449 0.610 0.917 0.583 CB 1.212 Z: 28 16.061 1.842 0.212 0.619 0.926 0.741 CB 1.336 28 residues pruned to eliminate duplicates Z: 10 9.299 1.740 0.533 0.832 0.889 0.778 CA 0.981 9 residues pruned to eliminate duplicates Z: 37 12.734 1.889 0.411 0.250 0.806 0.583 CB 1.318 31 residues pruned to eliminate duplicates Z: 34 16.055 1.948 0.474 0.391 0.818 0.606 CB 1.336 34 residues pruned to eliminate duplicates Z: 37 14.591 1.903 0.616 0.277 0.750 0.500 CB 1.357 55 residues pruned to eliminate duplicates Z: 8 13.569 1.852 0.305 0.820 1.000 0.571 CA 1.608 Z: 21 39.736 2.235 0.757 0.919 1.000 0.700 CB 1.594 21 residues pruned to eliminate duplicates Z: 16 16.617 2.147 0.449 0.717 0.867 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 30 11.361 1.976 0.429 0.340 0.759 0.448 CB 1.172 24 residues pruned to eliminate duplicates Z: 9 8.781 1.860 0.412 0.772 1.000 0.750 CB 0.929 6 residues pruned to eliminate duplicates Z: 30 11.595 1.986 0.427 0.288 0.828 0.552 CB 1.164 30 residues pruned to eliminate duplicates Z: 19 10.638 1.915 0.492 0.263 0.833 0.556 CA 1.380 19 residues pruned to eliminate duplicates Z: 19 30.670 2.074 0.665 0.908 0.944 0.833 CA 1.574 19 residues pruned to eliminate duplicates Z: 20 26.315 1.839 0.812 0.873 1.000 0.526 CB 1.320 20 residues pruned to eliminate duplicates Z: 10 8.068 1.814 0.329 0.584 0.889 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 16 12.688 1.822 0.393 0.390 1.000 0.600 CB 1.450 Z: 33 17.882 2.083 0.601 0.249 0.875 0.531 CA 1.446 33 residues pruned to eliminate duplicates Z: 23 14.132 1.807 0.816 0.455 0.818 0.455 CB 1.176 23 residues pruned to eliminate duplicates Z: 11 10.997 1.942 0.538 0.475 0.900 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 19 16.074 1.941 0.539 0.446 0.944 0.556 CB 1.419 19 residues pruned to eliminate duplicates Z: 12 9.443 1.792 0.467 0.481 0.818 0.636 N 1.349 12 residues pruned to eliminate duplicates Z: 11 8.910 1.947 0.638 0.478 0.800 0.700 CA 1.130 11 residues pruned to eliminate duplicates Z: 11 8.211 1.912 0.200 0.417 0.900 0.700 CB 1.372 11 residues pruned to eliminate duplicates Z: 13 14.147 1.795 0.438 0.727 1.000 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 7 7.667 2.011 0.748 0.270 0.833 0.500 CA 1.388 Z: 13 12.084 1.942 0.673 0.428 0.750 0.583 CA 1.543 13 residues pruned to eliminate duplicates Z: 26 18.720 1.932 0.597 0.387 0.920 0.520 CA 1.487 26 residues pruned to eliminate duplicates Z: 39 26.379 1.931 0.838 0.482 0.842 0.526 CA 1.459 21 residues pruned to eliminate duplicates Z: 8 15.251 1.863 0.466 0.869 1.000 0.857 CA 1.542 8 residues pruned to eliminate duplicates Z: 12 23.847 2.160 0.876 0.759 0.818 0.545 CB 1.723 12 residues pruned to eliminate duplicates Z: 13 10.534 2.001 0.280 0.456 0.917 0.583 CA 1.354 13 residues pruned to eliminate duplicates Z: 20 17.908 1.882 0.401 0.884 0.895 0.737 CA 1.259 20 residues pruned to eliminate duplicates Z: 6 4.546 1.439 0.267 0.833 1.000 1.000 CB 0.837 6 residues pruned to eliminate duplicates Z: 17 7.156 1.802 0.579 0.348 0.750 0.438 CB 0.989 22 residues pruned to eliminate duplicates Z: 15 11.771 1.931 0.428 0.344 0.857 0.429 CB 1.576 15 residues pruned to eliminate duplicates Z: 32 20.989 2.060 0.589 0.384 0.871 0.613 CB 1.496 32 residues pruned to eliminate duplicates Z: 72 33.542 2.087 0.494 0.451 0.930 0.606 CB 1.445 47 residues pruned to eliminate duplicates Z: 9 6.440 1.827 0.337 0.309 1.000 0.750 CB 1.151 9 residues pruned to eliminate duplicates Z: 10 8.420 1.723 0.244 0.596 0.889 0.778 CA 1.344 10 residues pruned to eliminate duplicates Z: 8 6.436 1.854 0.203 0.479 0.857 0.714 CB 1.300 8 residues pruned to eliminate duplicates Z: 10 6.065 1.759 0.308 0.681 0.778 0.556 CB 0.957 10 residues pruned to eliminate duplicates Z: 11 11.574 1.786 0.654 0.909 0.900 0.700 CB 0.977 11 residues pruned to eliminate duplicates Z: 20 7.874 1.922 0.566 0.266 0.684 0.421 CB 1.145 Z: 7 5.818 1.807 0.361 0.449 1.000 0.333 CB 1.018 7 residues pruned to eliminate duplicates Z: 8 5.172 1.890 1.040 0.407 0.571 0.571 CB 0.979 6 residues pruned to eliminate duplicates Z: 47 21.837 2.007 0.462 0.411 0.935 0.543 CB 1.288 47 residues pruned to eliminate duplicates Z: 9 14.577 1.933 0.533 0.674 0.875 0.750 CA 1.694 11 residues pruned to eliminate duplicates Z: 9 4.209 1.740 0.315 0.273 0.625 0.375 N 1.346 9 residues pruned to eliminate duplicates Z: 11 12.329 2.042 0.405 0.572 0.900 0.600 CB 1.408 11 residues pruned to eliminate duplicates Z: 8 3.679 1.647 0.570 0.372 0.571 0.571 CB 1.079 8 residues pruned to eliminate duplicates Z: 11 7.205 1.934 0.145 0.434 0.800 0.600 CA 1.377 11 residues pruned to eliminate duplicates Z: 21 16.070 1.845 0.754 0.408 0.950 0.650 CA 1.287 19 residues pruned to eliminate duplicates Z: 9 13.276 1.823 0.338 0.892 1.000 0.875 CA 1.382 9 residues pruned to eliminate duplicates Z: 12 11.308 1.978 0.574 0.564 0.909 0.818 CB 1.132 12 residues pruned to eliminate duplicates Z: 6 2.602 1.767 0.243 0.298 0.800 0.400 CB 0.829 Z: 9 9.588 1.810 0.662 0.714 0.875 0.750 CA 1.061 10 residues pruned to eliminate duplicates Z: 14 9.130 1.958 0.249 0.418 1.000 0.615 CA 1.128 14 residues pruned to eliminate duplicates Z: 8 3.297 1.625 0.448 0.296 0.714 0.571 CA 0.931 6 residues pruned to eliminate duplicates Z: 6 2.979 1.543 0.188 0.717 0.600 0.400 CA 0.996 6 residues pruned to eliminate duplicates Z: 6 3.698 1.562 0.281 0.341 0.800 0.400 O 1.229 Z: 11 11.589 1.890 0.510 0.687 1.000 0.700 CB 1.082 11 residues pruned to eliminate duplicates Z: 36 18.922 1.945 0.553 0.341 0.886 0.514 CB 1.421 36 residues pruned to eliminate duplicates Z: 6 3.958 1.387 0.322 0.613 0.800 0.400 C 1.084 Z: 10 10.436 1.655 0.395 0.820 1.000 0.667 CA 1.142 10 residues pruned to eliminate duplicates Z: 9 8.155 1.862 0.916 0.355 0.750 0.500 CB 1.260 9 residues pruned to eliminate duplicates Z: 20 26.255 1.907 0.780 0.909 1.000 0.737 CA 1.259 20 residues pruned to eliminate duplicates Z: 27 25.375 2.108 0.877 0.505 0.962 0.538 CB 1.302 27 residues pruned to eliminate duplicates Z: 9 14.607 1.955 0.520 0.574 1.000 0.625 CA 1.617 9 residues pruned to eliminate duplicates Z: 11 14.088 1.872 0.427 0.903 1.000 0.800 CA 1.188 11 residues pruned to eliminate duplicates Z: 15 32.779 2.214 1.033 0.894 1.000 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 6 11.968 2.239 0.542 0.536 0.800 0.800 CA 1.869 6 residues pruned to eliminate duplicates Z: 24 7.808 1.848 0.532 0.311 0.652 0.522 CB 1.087 27 residues pruned to eliminate duplicates Z: 12 3.431 1.508 0.279 0.352 0.818 0.273 CB 0.770 Z: 8 4.815 1.718 0.654 0.411 0.714 0.286 CA 0.984 8 residues pruned to eliminate duplicates Z: 8 7.303 1.667 0.236 0.878 0.857 0.857 CB 1.135 8 residues pruned to eliminate duplicates Z: 12 9.694 1.890 0.561 0.542 0.818 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 14 8.630 1.994 0.315 0.337 0.846 0.385 CB 1.289 13 residues pruned to eliminate duplicates Z: 9 8.760 1.846 0.987 0.344 0.750 0.500 N 1.334 Z: 64 38.065 2.174 0.530 0.526 0.921 0.587 CB 1.527 83 residues pruned to eliminate duplicates Z: 33 16.617 1.809 0.524 0.466 0.938 0.594 CA 1.177 33 residues pruned to eliminate duplicates Z: 7 7.446 1.815 0.473 0.603 1.000 0.500 CB 1.030 7 residues pruned to eliminate duplicates Z: 9 10.524 2.006 0.103 0.831 0.875 0.250 CB 1.444 9 residues pruned to eliminate duplicates Z: 20 9.737 1.879 0.402 0.411 0.895 0.474 CB 1.041 16 residues pruned to eliminate duplicates Z: 27 29.696 2.042 0.922 0.715 0.923 0.846 CB 1.324 27 residues pruned to eliminate duplicates Z: 11 11.948 1.870 0.406 0.869 0.700 0.600 CB 1.499 11 residues pruned to eliminate duplicates Z: 15 8.022 1.865 0.602 0.452 0.714 0.357 CB 1.056 15 residues pruned to eliminate duplicates Z: 26 18.975 1.972 0.770 0.481 0.920 0.480 CB 1.205 26 residues pruned to eliminate duplicates Z: 21 39.207 2.218 0.809 0.946 1.000 0.750 CB 1.510 21 residues pruned to eliminate duplicates Z: 11 3.603 1.515 0.295 0.489 0.700 0.500 CB 0.838 13 residues pruned to eliminate duplicates Z: 16 29.965 2.111 0.613 0.907 1.000 0.600 CB 1.616 16 residues pruned to eliminate duplicates Z: 8 7.741 1.811 0.253 0.648 0.857 0.857 CB 1.310 8 residues pruned to eliminate duplicates Z: 10 18.377 2.086 0.562 0.925 0.889 0.778 CA 1.484 10 residues pruned to eliminate duplicates Z: 6 8.020 1.960 0.456 0.717 0.800 0.600 CA 1.291 6 residues pruned to eliminate duplicates Z: 11 10.768 1.750 0.476 0.552 0.900 0.500 CB 1.392 11 residues pruned to eliminate duplicates Z: 10 6.581 1.848 0.459 0.444 0.778 0.556 CB 1.108 10 residues pruned to eliminate duplicates Z: 7 7.242 1.898 0.318 0.376 0.833 0.667 CA 1.619 7 residues pruned to eliminate duplicates Z: 6 2.204 1.505 0.503 0.294 0.600 0.400 CB 0.914 6 residues pruned to eliminate duplicates Z: 6 9.458 1.789 1.084 0.561 0.800 0.600 CB 1.337 6 residues pruned to eliminate duplicates Z: 8 6.514 1.733 0.671 0.326 0.857 0.571 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 11.035 1.688 0.462 0.829 1.000 0.300 CB 1.064 11 residues pruned to eliminate duplicates Z: 8 9.862 1.830 0.070 0.877 1.000 0.857 CA 1.382 8 residues pruned to eliminate duplicates Z: 28 14.321 2.014 0.500 0.300 0.889 0.556 CB 1.283 28 residues pruned to eliminate duplicates Z: 7 8.119 1.901 0.295 0.604 1.000 0.667 CA 1.219 7 residues pruned to eliminate duplicates Z: 6 10.515 1.818 0.915 0.825 1.000 0.600 CB 1.019 Z: 27 13.679 1.986 0.410 0.285 0.846 0.538 CB 1.442 27 residues pruned to eliminate duplicates Z: 28 19.744 2.016 0.804 0.501 0.889 0.556 CB 1.175 28 residues pruned to eliminate duplicates Z: 13 11.184 1.761 0.625 0.493 1.000 0.667 CB 1.137 15 residues pruned to eliminate duplicates Z: 32 27.775 1.976 0.591 0.676 0.935 0.645 CB 1.442 32 residues pruned to eliminate duplicates Z: 10 12.073 1.702 0.711 0.810 0.889 0.667 CA 1.186 10 residues pruned to eliminate duplicates Z: 26 30.038 2.106 0.660 0.720 0.920 0.440 CA 1.531 26 residues pruned to eliminate duplicates Z: 9 7.544 1.929 0.199 0.682 1.000 0.750 CB 0.975 10 residues pruned to eliminate duplicates Z: 17 27.490 2.075 0.768 0.923 0.938 0.750 CB 1.404 17 residues pruned to eliminate duplicates Z: 12 11.153 1.743 0.538 0.556 0.909 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 11 3.880 1.704 0.251 0.364 0.700 0.600 CB 0.952 11 residues pruned to eliminate duplicates Z: 9 4.141 1.543 0.348 0.395 0.750 0.375 CA 1.048 Z: 8 5.185 1.892 0.143 0.367 0.857 0.429 CB 1.219 8 residues pruned to eliminate duplicates Z: 21 51.826 2.344 1.027 0.940 0.950 0.500 CB 1.782 21 residues pruned to eliminate duplicates Z: 19 13.080 1.869 0.457 0.397 0.944 0.556 CA 1.336 19 residues pruned to eliminate duplicates Z: 7 3.450 1.680 0.093 0.370 0.833 0.667 CB 1.058 Z: 6 6.114 1.623 0.313 0.756 1.000 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 20 19.014 2.022 0.585 0.594 0.895 0.579 CB 1.390 20 residues pruned to eliminate duplicates Z: 26 32.147 2.078 0.689 0.751 0.920 0.800 CB 1.592 26 residues pruned to eliminate duplicates Z: 39 11.671 1.910 0.419 0.283 0.816 0.474 CB 1.093 37 residues pruned to eliminate duplicates Z: 23 8.091 1.757 0.191 0.361 0.864 0.455 CB 1.109 22 residues pruned to eliminate duplicates Z: 6 5.450 1.372 0.697 0.754 1.000 0.800 CA 0.835 6 residues pruned to eliminate duplicates Z: 9 3.762 1.667 0.050 0.541 1.000 0.625 CB 0.730 Z: 39 12.368 1.842 0.431 0.308 0.816 0.421 CB 1.154 39 residues pruned to eliminate duplicates Z: 9 7.227 1.729 0.538 0.702 0.750 0.625 CA 1.065 9 residues pruned to eliminate duplicates Z: 12 8.270 1.846 0.432 0.561 0.818 0.455 CB 1.087 12 residues pruned to eliminate duplicates Z: 57 32.864 2.056 0.509 0.579 0.929 0.589 CB 1.412 57 residues pruned to eliminate duplicates Z: 10 7.732 1.872 0.643 0.405 0.778 0.556 CB 1.190 10 residues pruned to eliminate duplicates Z: 17 28.191 1.985 0.756 0.887 0.938 0.688 CA 1.554 17 residues pruned to eliminate duplicates Z: 12 15.552 1.884 0.310 0.882 1.000 0.818 CB 1.375 12 residues pruned to eliminate duplicates Z: 6 3.338 1.339 1.366 0.559 0.800 0.600 CA 0.556 Z: 12 15.739 1.864 0.660 0.611 1.000 0.909 CB 1.380 12 residues pruned to eliminate duplicates Z: 19 13.101 1.924 0.505 0.388 0.889 0.500 CB 1.351 19 residues pruned to eliminate duplicates Z: 9 2.919 1.541 0.350 0.358 0.500 0.250 O 1.157 9 residues pruned to eliminate duplicates Z: 6 4.307 1.733 0.430 0.450 0.800 0.600 CA 1.022 Z: 10 18.184 1.824 0.744 0.877 1.000 0.889 CA 1.384 10 residues pruned to eliminate duplicates Z: 10 3.474 1.816 0.439 0.232 0.556 0.556 CA 1.090 10 residues pruned to eliminate duplicates Z: 17 8.673 1.758 0.691 0.354 0.875 0.562 CB 0.976 Z: 11 15.649 1.885 0.375 0.902 0.900 0.800 CA 1.514 11 residues pruned to eliminate duplicates Z: 8 3.494 1.607 0.458 0.543 1.000 0.429 CB 0.541 9 residues pruned to eliminate duplicates Z: 9 9.446 1.779 0.227 0.850 0.875 0.500 CB 1.296 9 residues pruned to eliminate duplicates Z: 6 2.459 1.682 -0.074 0.308 0.800 0.600 CB 1.093 Z: 6 6.387 1.712 0.377 0.777 1.000 1.000 CB 0.949 6 residues pruned to eliminate duplicates Z: 8 4.672 1.487 0.401 0.384 1.000 0.857 CB 0.959 Z: 7 3.602 1.477 0.750 0.338 0.833 0.500 CA 0.815 7 residues pruned to eliminate duplicates Z: 53 39.989 2.205 0.604 0.542 0.942 0.615 CB 1.598 53 residues pruned to eliminate duplicates Z: 19 7.409 1.760 0.183 0.334 0.889 0.611 CA 1.132 19 residues pruned to eliminate duplicates Z: 17 10.827 1.814 0.659 0.390 0.812 0.625 CA 1.244 17 residues pruned to eliminate duplicates Z: 7 7.404 1.921 0.479 0.254 1.000 0.500 CB 1.411 6 residues pruned to eliminate duplicates Z: 13 4.503 1.687 0.248 0.283 0.833 0.500 CB 0.947 Z: 11 7.725 1.934 0.239 0.430 0.900 0.600 CB 1.218 11 residues pruned to eliminate duplicates Z: 12 14.741 1.833 0.503 0.826 1.000 0.727 CA 1.216 12 residues pruned to eliminate duplicates Z: 11 8.469 1.838 0.423 0.443 0.800 0.500 CA 1.357 11 residues pruned to eliminate duplicates Z: 8 6.128 1.899 0.137 0.637 0.857 0.714 CA 1.100 8 residues pruned to eliminate duplicates Z: 22 23.659 2.161 0.325 0.653 1.000 0.762 CA 1.565 22 residues pruned to eliminate duplicates Z: 22 35.733 2.227 0.560 0.927 1.000 1.000 CB 1.573 22 residues pruned to eliminate duplicates Z: 9 3.281 1.575 -0.254 0.443 1.000 0.625 CB 1.047 Z: 6 3.561 1.609 0.148 0.547 0.600 0.600 CB 1.373 6 residues pruned to eliminate duplicates Z: 76 41.287 2.158 0.679 0.526 0.920 0.507 CB 1.394 76 residues pruned to eliminate duplicates Z: 28 25.631 1.979 0.610 0.622 0.926 0.741 CA 1.490 28 residues pruned to eliminate duplicates Z: 18 27.338 2.075 0.681 0.898 1.000 0.647 CA 1.359 18 residues pruned to eliminate duplicates Z: 10 3.364 1.662 0.121 0.450 0.667 0.556 CB 0.950 10 residues pruned to eliminate duplicates Z: 8 6.587 1.491 0.464 0.600 0.857 0.714 C 1.209 8 residues pruned to eliminate duplicates Z: 13 5.905 1.765 0.278 0.442 0.917 0.750 CB 0.876 13 residues pruned to eliminate duplicates Z: 7 4.175 1.614 0.627 0.355 0.667 0.500 CB 1.138 7 residues pruned to eliminate duplicates Z: 7 7.779 2.008 0.456 0.841 0.500 0.333 CB 1.619 7 residues pruned to eliminate duplicates Z: 9 9.430 1.663 0.471 0.635 1.000 0.750 CA 1.200 9 residues pruned to eliminate duplicates Z: 15 7.488 1.753 0.636 0.397 0.786 0.357 CB 0.990 15 residues pruned to eliminate duplicates Z: 13 3.398 1.401 0.113 0.330 0.833 0.583 CB 0.910 6 0.099 1.326 0.543 0.298 0.600 0.400 CB 0.045 ? Z: 10 9.031 1.593 0.426 0.841 1.000 0.889 CB 0.988 10 residues pruned to eliminate duplicates Z: 6 4.770 1.594 -0.048 0.781 1.000 1.000 O 1.097 6 residues pruned to eliminate duplicates Z: 7 5.106 1.563 0.716 0.466 0.667 0.333 CB 1.207 Z: 6 5.374 1.617 0.557 0.551 1.000 0.600 CB 0.908 6 residues pruned to eliminate duplicates Z: 8 6.905 1.765 0.600 0.331 0.857 0.714 CA 1.297 8 residues pruned to eliminate duplicates Z: 7 3.377 1.752 0.435 0.193 0.667 0.500 CB 1.188 7 residues pruned to eliminate duplicates Z: 11 7.702 1.864 0.402 0.341 0.800 0.500 CB 1.385 11 residues pruned to eliminate duplicates Z: 30 21.371 2.137 0.629 0.444 0.862 0.552 CB 1.401 30 residues pruned to eliminate duplicates Z: 10 9.243 1.904 -0.058 0.882 1.000 0.889 CB 1.243 10 residues pruned to eliminate duplicates Z: 10 6.421 1.826 0.300 0.265 1.000 0.556 CA 1.179 10 residues pruned to eliminate duplicates Z: 9 4.693 1.679 0.244 0.389 0.750 0.625 CA 1.192 8 residues pruned to eliminate duplicates Z: 6 4.154 1.626 -0.140 0.535 1.000 0.400 O 1.284 Z: 8 10.116 1.726 0.374 0.597 1.000 0.857 CB 1.469 8 residues pruned to eliminate duplicates Z: 19 21.107 1.952 0.757 0.910 1.000 0.722 CB 1.029 19 residues pruned to eliminate duplicates Z: 10 5.525 1.835 0.183 0.301 0.889 0.333 CB 1.192 10 residues pruned to eliminate duplicates Z: 18 17.396 1.993 0.329 0.568 0.941 0.824 CA 1.585 18 residues pruned to eliminate duplicates Z: 7 3.651 1.701 0.491 0.389 0.667 0.333 CB 0.991 Z: 11 7.457 1.802 0.289 0.522 0.800 0.500 CA 1.241 6 residues pruned to eliminate duplicates Z: 19 16.860 1.994 0.606 0.510 0.889 0.333 CA 1.383 19 residues pruned to eliminate duplicates Z: 7 2.879 1.614 0.363 0.372 0.833 0.500 CB 0.735 7 residues pruned to eliminate duplicates Z: 9 9.841 1.684 0.227 0.890 1.000 0.875 CA 1.211 9 residues pruned to eliminate duplicates Z: 35 24.965 1.990 0.505 0.687 0.882 0.559 CA 1.365 35 residues pruned to eliminate duplicates Z: 24 14.130 1.904 0.265 0.449 0.826 0.565 CA 1.560 24 residues pruned to eliminate duplicates Z: 10 6.379 1.958 0.282 0.488 1.000 0.778 CB 0.858 10 residues pruned to eliminate duplicates Z: 11 7.442 1.845 0.334 0.337 1.000 0.300 CB 1.142 13 residues pruned to eliminate duplicates Z: 6 2.622 1.361 0.121 0.468 0.800 0.400 CB 0.993 Z: 24 13.616 1.929 0.594 0.442 0.826 0.522 CB 1.186 19 residues pruned to eliminate duplicates Z: 8 7.500 1.793 0.598 0.588 0.857 0.714 CB 1.061 8 residues pruned to eliminate duplicates Z: 9 4.496 1.641 -0.013 0.369 0.875 0.625 C 1.290 9 residues pruned to eliminate duplicates Z: 43 29.442 1.972 0.592 0.660 0.905 0.667 CA 1.379 43 residues pruned to eliminate duplicates Z: 15 8.907 1.843 0.359 0.421 0.929 0.643 CB 1.111 15 residues pruned to eliminate duplicates Z: 11 3.942 1.584 0.669 0.363 0.800 0.400 CB 0.683 Z: 6 7.435 1.845 0.433 0.552 1.000 0.600 N 1.195 Z: 8 4.275 1.510 0.471 0.268 0.857 0.286 CA 1.105 Z: 20 31.033 2.157 0.528 0.885 1.000 0.789 CB 1.560 20 residues pruned to eliminate duplicates Z: 17 7.513 1.768 0.517 0.273 0.750 0.562 CB 1.208 17 residues pruned to eliminate duplicates Z: 11 11.073 1.876 0.413 0.720 1.000 0.700 CA 1.083 11 residues pruned to eliminate duplicates Z: 6 2.302 1.409 0.032 0.458 0.800 0.800 N 0.923 Z: 12 11.645 1.930 0.427 0.488 0.909 0.636 CB 1.420 12 residues pruned to eliminate duplicates Z: 36 28.751 2.021 0.625 0.597 0.857 0.629 CB 1.575 36 residues pruned to eliminate duplicates Z: 6 6.233 1.719 -0.130 0.789 1.000 0.800 O 1.447 6 residues pruned to eliminate duplicates Z: 9 10.250 1.718 0.733 0.639 0.875 0.625 CB 1.221 8 residues pruned to eliminate duplicates Z: 34 17.021 1.961 0.501 0.356 0.818 0.515 CB 1.437 34 residues pruned to eliminate duplicates Z: 18 20.777 1.978 0.602 0.801 0.941 0.647 CB 1.298 18 residues pruned to eliminate duplicates Z: 12 10.905 1.876 0.450 0.429 0.909 0.545 N 1.430 12 residues pruned to eliminate duplicates Z: 6 2.302 1.361 -0.107 0.395 1.000 0.600 CB 0.947 Z: 8 4.806 1.697 0.169 0.339 1.000 0.286 CB 1.090 8 residues pruned to eliminate duplicates Z: 6 2.439 1.434 0.044 0.458 0.800 0.600 N 0.951 Z: 10 7.492 1.724 0.150 0.526 0.889 0.778 CA 1.381 8 residues pruned to eliminate duplicates Z: 22 14.252 1.843 0.483 0.446 0.905 0.619 CB 1.329 22 residues pruned to eliminate duplicates Z: 8 3.474 1.432 0.262 0.194 1.000 0.714 N 1.047 Z: 7 12.106 2.079 0.078 0.715 1.000 0.667 CA 1.816 7 residues pruned to eliminate duplicates Z: 11 7.627 1.847 0.685 0.417 0.700 0.600 CA 1.207 7 residues pruned to eliminate duplicates Z: 13 7.917 2.000 0.353 0.419 0.750 0.667 CB 1.225 13 residues pruned to eliminate duplicates Z: 8 2.936 1.452 -0.053 0.434 0.857 0.571 C 1.008 Z: 7 2.392 1.402 0.357 0.358 0.667 0.333 N 0.897 Z: 7 4.991 1.540 0.243 0.593 0.833 0.833 N 1.169 Z: 19 23.789 1.935 0.796 0.836 0.944 0.611 CB 1.278 19 residues pruned to eliminate duplicates Z: 11 7.083 1.703 0.536 0.345 0.800 0.300 CA 1.268 59 residues pruned to eliminate duplicates Z: 6 5.041 1.699 0.454 0.390 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 22 11.511 1.807 0.472 0.385 0.810 0.524 CA 1.318 21 residues pruned to eliminate duplicates Z: 37 30.835 1.915 0.798 0.655 0.944 0.556 CB 1.368 37 residues pruned to eliminate duplicates Z: 6 2.785 1.388 0.597 0.274 0.800 0.600 C 0.908 Z: 20 14.059 1.975 0.516 0.365 0.895 0.579 CA 1.391 20 residues pruned to eliminate duplicates Z: 14 8.659 1.777 0.122 0.468 1.000 0.615 CB 1.244 16 residues pruned to eliminate duplicates Z: 10 5.400 1.558 0.380 0.286 0.889 0.333 CB 1.198 Z: 6 3.080 1.430 0.429 0.526 0.600 0.400 CA 1.095 Z: 62 40.094 2.186 0.572 0.569 0.918 0.656 CB 1.522 33 residues pruned to eliminate duplicates 7 1.789 1.471 0.350 0.361 0.667 0.667 CB 0.641 ? Z: 18 10.004 1.836 0.282 0.366 1.000 0.706 CA 1.190 Z: 6 3.306 1.481 -0.072 0.701 1.000 0.600 C 0.896 Z: 10 4.159 1.676 0.463 0.304 0.667 0.333 CB 1.054 10 residues pruned to eliminate duplicates Z: 17 8.017 1.727 0.421 0.434 0.688 0.562 CB 1.272 Z: 7 3.468 1.717 -0.062 0.468 0.667 0.500 N 1.362 Z: 9 2.894 1.418 0.653 0.297 0.625 0.250 CB 0.876 Z: 15 30.813 2.224 0.669 0.848 1.000 0.929 CA 1.646 15 residues pruned to eliminate duplicates Z: 9 11.588 1.706 0.539 0.849 1.000 0.625 CB 1.156 9 residues pruned to eliminate duplicates Z: 6 3.324 1.589 0.629 0.523 0.600 0.600 CA 0.935 Z: 17 12.240 1.838 0.579 0.439 0.875 0.500 CB 1.283 13 residues pruned to eliminate duplicates Z: 8 8.515 1.685 0.358 0.844 1.000 0.714 CA 1.047 18 residues pruned to eliminate duplicates Z: 18 18.514 1.913 0.242 0.883 0.941 0.765 CB 1.453 18 residues pruned to eliminate duplicates Z: 19 8.098 1.750 0.315 0.372 0.778 0.333 CA 1.223 19 residues pruned to eliminate duplicates Z: 12 8.525 1.591 0.479 0.582 0.818 0.545 CB 1.233 9 residues pruned to eliminate duplicates Z: 6 3.442 1.511 0.368 0.305 1.000 0.200 CA 0.926 6 1.642 1.426 -0.187 0.295 1.000 0.800 O 0.796 ? Z: 9 11.738 2.016 0.413 0.867 0.875 0.625 CA 1.218 9 residues pruned to eliminate duplicates Z: 11 5.820 1.464 0.353 0.523 0.800 0.500 CB 1.136 11 residues pruned to eliminate duplicates Z: 15 6.570 1.720 0.244 0.275 0.857 0.500 CB 1.234 15 residues pruned to eliminate duplicates Z: 11 8.571 1.686 0.580 0.449 0.900 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 51 27.723 1.934 0.532 0.630 0.820 0.560 CA 1.428 51 residues pruned to eliminate duplicates Z: 6 3.046 1.443 0.391 0.299 1.000 0.600 CB 0.849 Z: 8 9.842 1.695 0.263 0.901 1.000 1.000 CA 1.241 8 residues pruned to eliminate duplicates Z: 8 4.867 1.691 0.255 0.379 0.857 0.571 C 1.150 Z: 12 12.719 1.759 0.786 0.411 1.000 0.455 CB 1.340 12 residues pruned to eliminate duplicates Z: 11 7.893 1.806 0.074 0.442 1.000 0.500 CA 1.367 11 residues pruned to eliminate duplicates 6 1.970 1.488 0.748 0.454 0.600 0.400 CB 0.592 ? Z: 6 3.069 1.285 0.364 0.288 1.000 0.200 N 0.993 6 1.576 1.267 0.136 0.422 0.800 0.600 CB 0.663 ? Z: 6 2.458 1.293 0.402 0.444 1.000 0.800 O 0.642 Z: 14 11.323 1.856 0.435 0.421 0.923 0.462 CA 1.387 14 residues pruned to eliminate duplicates Z: 20 9.458 1.829 0.240 0.363 0.842 0.526 CB 1.316 20 residues pruned to eliminate duplicates Z: 15 6.616 1.809 0.132 0.601 0.786 0.571 CB 0.998 15 residues pruned to eliminate duplicates Z: 8 2.629 1.186 0.256 0.219 1.000 0.429 N 0.927 Z: 8 3.411 1.412 0.742 0.261 0.857 0.286 CB 0.803 Z: 24 16.144 1.980 0.519 0.401 0.870 0.609 CB 1.429 24 residues pruned to eliminate duplicates Z: 17 21.938 1.936 0.598 0.715 1.000 0.625 CB 1.458 17 residues pruned to eliminate duplicates Z: 6 2.954 1.432 0.022 0.534 1.000 0.800 CB 0.873 Z: 7 2.700 1.581 0.311 0.208 0.667 0.500 CA 1.127 7 residues pruned to eliminate duplicates Z: 9 9.581 1.719 1.008 0.495 0.750 0.625 CA 1.315 9 residues pruned to eliminate duplicates Z: 8 11.599 2.140 0.579 0.366 1.000 0.571 CA 1.499 8 residues pruned to eliminate duplicates Z: 8 3.629 1.532 0.305 0.297 0.857 0.429 CA 1.004 Z: 6 8.289 1.695 0.711 0.747 1.000 0.800 CA 1.025 6 residues pruned to eliminate duplicates Z: 6 2.513 1.385 0.389 0.460 1.000 0.600 CB 0.609 Z: 17 11.557 1.867 0.437 0.352 0.938 0.500 CB 1.349 16 residues pruned to eliminate duplicates Z: 20 22.117 1.906 0.732 0.897 0.947 0.684 CB 1.161 20 residues pruned to eliminate duplicates Z: 9 7.327 1.400 0.449 0.768 1.000 0.375 CA 1.007 9 residues pruned to eliminate duplicates Z: 10 9.133 1.762 0.366 0.570 1.000 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 24 14.043 1.911 0.778 0.430 0.826 0.522 CB 1.122 Z: 32 14.609 2.019 0.387 0.322 0.774 0.484 CB 1.472 32 residues pruned to eliminate duplicates Z: 17 7.513 1.888 0.339 0.236 0.812 0.500 CB 1.243 17 residues pruned to eliminate duplicates Z: 6 5.969 1.860 0.072 0.730 1.000 0.800 CA 1.088 6 residues pruned to eliminate duplicates Z: 6 5.067 1.496 0.501 0.604 0.800 0.600 C 1.143 Z: 50 31.688 1.874 0.650 0.636 0.959 0.531 CB 1.344 50 residues pruned to eliminate duplicates Z: 18 10.275 1.914 0.380 0.325 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 8 4.745 1.365 0.551 0.506 0.714 0.714 CA 1.178 8 residues pruned to eliminate duplicates Z: 6 2.863 1.558 0.284 0.552 0.800 0.800 CB 0.761 6 residues pruned to eliminate duplicates Z: 9 5.574 1.835 0.411 0.254 0.875 0.375 N 1.154 9 residues pruned to eliminate duplicates Z: 12 10.586 1.734 0.646 0.535 0.818 0.636 CB 1.320 10 residues pruned to eliminate duplicates Z: 10 5.475 1.731 1.108 0.366 0.778 0.556 CB 0.742 8 residues pruned to eliminate duplicates Z: 10 9.298 1.700 0.669 0.804 0.778 0.444 CB 1.077 10 residues pruned to eliminate duplicates Z: 6 2.055 1.327 0.432 0.294 0.600 0.400 CB 1.015 Z: 22 9.350 1.858 0.193 0.305 0.857 0.524 CA 1.335 22 residues pruned to eliminate duplicates Z: 6 2.577 1.457 0.098 0.297 0.800 0.600 C 1.129 6 1.562 1.398 0.452 0.100 0.600 0.400 C 0.956 ? Z: 22 15.001 1.936 0.552 0.369 0.857 0.571 CB 1.463 22 residues pruned to eliminate duplicates Z: 7 3.723 1.541 0.496 0.448 0.667 0.667 CB 1.043 Z: 28 17.972 2.014 0.707 0.486 0.889 0.519 CB 1.148 24 residues pruned to eliminate duplicates Z: 18 14.220 1.939 0.524 0.541 0.824 0.471 CB 1.362 18 residues pruned to eliminate duplicates Z: 6 5.365 1.904 0.835 0.343 0.800 0.600 CB 1.018 Z: 11 13.312 2.006 0.470 0.588 1.000 0.800 CA 1.311 11 residues pruned to eliminate duplicates Z: 9 5.387 1.515 0.560 0.410 0.875 0.750 CB 1.012 9 residues pruned to eliminate duplicates Z: 14 6.748 1.573 0.251 0.456 0.846 0.462 N 1.177 14 residues pruned to eliminate duplicates Z: 22 26.972 2.074 0.433 0.869 0.952 0.810 CB 1.519 22 residues pruned to eliminate duplicates Z: 8 6.602 1.578 0.438 0.545 1.000 0.857 CA 1.052 25 residues pruned to eliminate duplicates Z: 12 9.839 1.757 0.416 0.543 1.000 0.455 CB 1.144 Z: 8 3.271 1.620 0.101 0.459 1.000 0.857 CB 0.723 7 residues pruned to eliminate duplicates Z: 29 13.867 1.889 0.498 0.400 0.786 0.571 CB 1.310 33 residues pruned to eliminate duplicates Z: 7 2.624 1.478 0.287 0.170 0.667 0.167 CA 1.260 Z: 8 5.519 1.928 0.439 0.217 0.714 0.571 CB 1.468 Z: 8 4.303 1.600 -0.170 0.583 1.000 0.714 O 1.130 6 residues pruned to eliminate duplicates Z: 12 9.394 1.561 0.997 0.454 1.000 0.636 CB 0.952 7 residues pruned to eliminate duplicates Z: 8 8.542 1.835 0.472 0.866 0.714 0.571 CA 1.224 8 residues pruned to eliminate duplicates Z: 6 2.883 1.411 0.332 0.380 0.800 0.600 N 0.975 Z: 7 2.691 1.334 0.373 0.535 0.833 0.833 CB 0.696 Z: 8 6.642 1.857 0.090 0.626 0.857 0.857 CB 1.285 8 residues pruned to eliminate duplicates Z: 32 13.605 1.893 0.445 0.342 0.806 0.484 CB 1.315 32 residues pruned to eliminate duplicates Z: 8 3.166 1.397 0.454 0.319 0.714 0.429 CA 1.008 Z: 19 23.340 1.832 0.829 0.868 1.000 0.722 CB 1.200 19 residues pruned to eliminate duplicates Z: 20 18.094 2.011 0.825 0.320 0.947 0.526 CA 1.456 20 residues pruned to eliminate duplicates Z: 18 19.891 1.939 0.383 0.885 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 6 5.927 2.023 0.300 0.781 0.800 0.600 CA 0.984 6 residues pruned to eliminate duplicates Z: 6 2.203 1.424 0.670 0.419 0.400 0.400 CA 1.126 8 1.893 1.438 0.546 0.258 0.571 0.286 N 0.743 ? Z: 33 28.817 1.882 0.723 0.724 0.938 0.625 CB 1.369 33 residues pruned to eliminate duplicates Z: 38 30.827 1.955 0.824 0.624 0.865 0.595 CB 1.461 38 residues pruned to eliminate duplicates Z: 6 3.442 1.561 0.689 0.299 0.600 0.600 CB 1.218 Z: 29 19.166 1.834 0.742 0.448 0.893 0.607 CB 1.340 29 residues pruned to eliminate duplicates Z: 7 2.324 1.124 0.721 0.287 0.833 0.500 CB 0.748 Z: 7 3.691 1.430 0.282 0.370 0.833 0.667 CB 1.134 Z: 10 12.743 1.871 0.571 0.614 0.889 0.778 CB 1.459 10 residues pruned to eliminate duplicates Z: 17 17.063 1.870 0.568 0.700 1.000 0.812 CB 1.212 17 residues pruned to eliminate duplicates Z: 7 3.438 1.529 -0.078 0.516 1.000 0.500 CB 0.980 Z: 9 2.939 1.533 0.348 0.145 0.750 0.375 CB 1.040 6 1.275 1.332 0.133 0.356 0.600 0.400 CB 0.735 ? Z: 9 6.527 1.697 0.320 0.831 1.000 0.875 CA 0.774 9 residues pruned to eliminate duplicates Z: 26 25.179 1.987 0.505 0.728 0.960 0.840 CB 1.429 26 residues pruned to eliminate duplicates Z: 9 10.588 1.644 0.436 0.761 0.875 0.500 CA 1.436 8 residues pruned to eliminate duplicates Z: 7 3.178 1.329 0.208 0.489 1.000 0.667 CB 0.818 Z: 10 2.415 1.275 0.311 0.411 0.889 0.444 CB 0.595 7 residues pruned to eliminate duplicates Z: 9 3.133 1.381 0.377 0.340 0.875 0.375 N 0.793 Z: 7 3.743 1.367 0.553 0.355 0.833 0.500 O 1.010 Z: 7 2.712 1.525 -0.009 0.400 0.833 0.500 C 0.977 7 residues pruned to eliminate duplicates Z: 8 2.823 1.305 0.596 0.210 0.857 0.571 CB 0.841 Z: 9 4.814 1.597 0.481 0.326 0.750 0.500 CA 1.162 9 residues pruned to eliminate duplicates Z: 19 35.580 2.043 0.966 0.920 1.000 0.500 CA 1.471 19 residues pruned to eliminate duplicates Z: 12 9.983 1.787 0.452 0.565 0.818 0.636 CB 1.331 12 residues pruned to eliminate duplicates Z: 7 4.631 1.820 0.535 0.242 0.833 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 6 2.570 1.296 0.707 0.298 0.600 0.400 N 1.086 Z: 12 8.793 1.768 0.437 0.425 0.909 0.818 CA 1.241 12 residues pruned to eliminate duplicates Z: 8 4.316 1.499 0.146 0.505 0.857 0.714 CB 1.102 8 residues pruned to eliminate duplicates Z: 32 17.495 1.954 0.540 0.388 0.903 0.581 CB 1.301 32 residues pruned to eliminate duplicates 6 1.510 1.404 0.213 0.397 0.600 0.600 CB 0.736 ? Z: 8 4.353 1.455 0.404 0.283 0.857 0.429 CA 1.200 8 residues pruned to eliminate duplicates Z: 7 8.502 1.655 0.744 0.527 1.000 0.667 CB 1.171 Z: 6 7.386 1.545 0.955 0.693 0.800 0.800 C 1.146 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 10.024 1.802 0.480 0.562 0.875 0.375 CB 1.430 10 residues pruned to eliminate duplicates Z: 6 2.793 1.540 0.177 0.444 0.800 0.600 CB 0.913 6 residues pruned to eliminate duplicates Z: 8 6.907 1.667 0.418 0.518 0.857 0.571 CA 1.266 8 residues pruned to eliminate duplicates Z: 11 7.525 1.699 0.531 0.455 0.900 0.500 CA 1.064 9 residues pruned to eliminate duplicates Z: 6 5.073 1.599 0.593 0.386 1.000 0.800 CA 1.005 6 residues pruned to eliminate duplicates Z: 11 15.296 1.944 0.573 0.660 0.900 0.900 CA 1.515 11 residues pruned to eliminate duplicates Z: 11 16.937 1.936 0.684 0.676 1.000 0.800 CB 1.398 12 residues pruned to eliminate duplicates Z: 8 3.340 1.539 0.580 0.239 0.857 0.571 CA 0.820 8 residues pruned to eliminate duplicates Z: 12 12.292 1.913 0.503 0.684 0.909 0.636 CB 1.198 13 residues pruned to eliminate duplicates Z: 7 5.305 1.607 0.461 0.405 1.000 0.333 CB 1.019 7 residues pruned to eliminate duplicates Z: 12 14.721 1.960 0.444 0.661 1.000 0.545 CB 1.351 12 residues pruned to eliminate duplicates Z: 12 14.215 1.941 0.340 0.666 1.000 0.636 CB 1.413 12 residues pruned to eliminate duplicates Z: 12 14.232 1.903 0.423 0.649 1.000 0.818 CB 1.379 12 residues pruned to eliminate duplicates Z: 7 3.566 1.499 0.368 0.414 1.000 0.333 CA 0.777 7 residues pruned to eliminate duplicates Z: 12 6.856 1.682 0.388 0.420 0.909 0.455 CA 1.058 12 residues pruned to eliminate duplicates Z: 6 7.057 1.943 0.194 0.469 1.000 0.600 N 1.404 6 residues pruned to eliminate duplicates Z: 32 12.667 1.973 0.412 0.257 0.774 0.484 CB 1.393 32 residues pruned to eliminate duplicates Z: 32 11.930 1.841 0.463 0.207 0.806 0.387 CA 1.395 32 residues pruned to eliminate duplicates Z: 19 13.079 1.988 0.445 0.286 0.944 0.611 CA 1.445 19 residues pruned to eliminate duplicates Z: 17 9.757 1.984 0.385 0.314 0.812 0.562 CA 1.343 17 residues pruned to eliminate duplicates Z: 39 12.464 1.863 0.310 0.289 0.868 0.474 CB 1.209 39 residues pruned to eliminate duplicates Z: 19 10.203 1.929 0.400 0.252 0.833 0.444 CA 1.421 19 residues pruned to eliminate duplicates Z: 18 9.898 1.970 0.334 0.307 0.824 0.353 CA 1.374 18 residues pruned to eliminate duplicates Z: 18 11.327 2.028 0.349 0.271 0.882 0.529 CA 1.475 18 residues pruned to eliminate duplicates Z: 24 11.817 1.885 0.342 0.251 0.957 0.478 CA 1.356 24 residues pruned to eliminate duplicates Z: 18 10.034 1.990 0.324 0.320 0.824 0.529 CA 1.369 18 residues pruned to eliminate duplicates Z: 31 11.561 1.901 0.366 0.270 0.833 0.433 CB 1.266 31 residues pruned to eliminate duplicates Z: 20 8.782 1.910 0.422 0.215 0.737 0.421 CA 1.407 20 residues pruned to eliminate duplicates Z: 26 12.746 1.827 0.352 0.322 0.960 0.560 CA 1.308 26 residues pruned to eliminate duplicates Z: 21 11.551 1.939 0.319 0.295 0.850 0.600 CA 1.494 21 residues pruned to eliminate duplicates Z: 31 13.332 1.948 0.369 0.322 0.867 0.500 CB 1.280 31 residues pruned to eliminate duplicates Z: 17 8.590 1.923 0.631 0.319 0.750 0.500 CB 1.114 17 residues pruned to eliminate duplicates Z: 33 12.912 1.964 0.405 0.241 0.812 0.469 CA 1.374 33 residues pruned to eliminate duplicates Z: 13 6.434 2.038 0.501 0.264 0.667 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 31 12.288 2.001 0.273 0.283 0.767 0.567 CB 1.467 31 residues pruned to eliminate duplicates Z: 29 12.823 1.990 0.353 0.276 0.786 0.536 CB 1.476 29 residues pruned to eliminate duplicates Z: 30 10.874 1.947 0.416 0.258 0.724 0.414 CB 1.334 30 residues pruned to eliminate duplicates Z: 10 8.636 2.190 0.542 0.387 0.667 0.556 CB 1.442 10 residues pruned to eliminate duplicates Z: 11 8.584 2.106 0.388 0.375 0.700 0.600 CB 1.516 11 residues pruned to eliminate duplicates Z: 15 7.286 1.937 0.635 0.302 0.571 0.429 CB 1.342 15 residues pruned to eliminate duplicates Z: 14 6.840 2.077 0.246 0.239 0.692 0.385 CB 1.432 14 residues pruned to eliminate duplicates Z: 10 3.791 1.637 0.595 0.128 0.667 0.111 CB 1.157 10 residues pruned to eliminate duplicates Z: 14 7.528 1.847 0.521 0.198 0.846 0.462 CB 1.258 14 residues pruned to eliminate duplicates Z: 12 5.612 1.806 0.263 0.232 0.818 0.455 CB 1.238 12 residues pruned to eliminate duplicates Z: 9 6.029 1.815 0.377 0.282 0.875 0.500 CB 1.247 9 residues pruned to eliminate duplicates Z: 15 6.899 1.653 0.495 0.319 0.857 0.429 CB 1.064 13 residues pruned to eliminate duplicates Z: 7 6.298 1.532 0.210 0.738 1.000 0.667 N 1.120 7 residues pruned to eliminate duplicates Z: 15 8.190 1.882 0.377 0.437 0.929 0.571 CB 0.971 15 residues pruned to eliminate duplicates Z: 13 8.589 1.998 0.580 0.395 0.833 0.750 CB 1.053 13 residues pruned to eliminate duplicates Z: 16 7.595 1.867 0.442 0.324 0.867 0.467 CB 1.020 16 residues pruned to eliminate duplicates Z: 16 8.350 1.777 0.705 0.327 0.867 0.600 CB 0.992 16 residues pruned to eliminate duplicates Z: 15 9.350 1.899 0.493 0.403 0.929 0.571 CB 1.051 Z: 6 4.295 1.683 0.758 0.460 0.800 0.600 CB 0.846 6 residues pruned to eliminate duplicates Z: 12 7.375 2.007 0.446 0.374 0.818 0.545 CB 1.073 12 residues pruned to eliminate duplicates Z: 15 10.624 1.884 0.655 0.388 0.929 0.500 CB 1.104 30 residues pruned to eliminate duplicates Z: 15 11.069 1.923 0.625 0.404 0.857 0.643 CB 1.222 Z: 7 5.032 1.533 0.855 0.398 0.833 0.500 CA 0.966 5 residues pruned to eliminate duplicates Z: 7 5.308 1.509 1.122 0.337 0.667 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 14 10.910 2.075 0.608 0.429 0.692 0.385 CA 1.409 14 residues pruned to eliminate duplicates Z: 6 7.475 1.997 0.782 0.565 0.600 0.600 N 1.470 6 residues pruned to eliminate duplicates Z: 15 10.804 2.022 0.630 0.397 0.786 0.429 CB 1.243 15 residues pruned to eliminate duplicates Z: 15 11.933 1.973 0.587 0.430 0.857 0.500 CB 1.278 15 residues pruned to eliminate duplicates Z: 6 5.083 1.641 0.613 0.447 1.000 0.800 CA 0.907 6 residues pruned to eliminate duplicates Z: 13 8.964 2.110 0.367 0.357 0.750 0.500 CA 1.395 18 residues pruned to eliminate duplicates Z: 6 9.132 1.925 0.678 0.448 1.000 1.000 CA 1.334 6 residues pruned to eliminate duplicates Z: 30 18.677 1.884 0.607 0.496 0.862 0.621 CB 1.333 30 residues pruned to eliminate duplicates Z: 24 12.829 1.768 0.520 0.366 0.957 0.348 CB 1.202 24 residues pruned to eliminate duplicates Z: 12 13.236 1.904 0.424 0.477 1.000 0.455 N 1.506 12 residues pruned to eliminate duplicates Z: 17 10.694 1.818 0.369 0.376 0.875 0.500 N 1.401 17 residues pruned to eliminate duplicates Z: 13 10.935 1.868 0.482 0.352 0.917 0.333 N 1.460 13 residues pruned to eliminate duplicates Z: 31 17.238 1.830 0.639 0.451 0.833 0.567 CB 1.325 31 residues pruned to eliminate duplicates Z: 31 19.969 1.866 0.706 0.458 0.900 0.567 CB 1.329 38 residues pruned to eliminate duplicates Z: 6 3.815 1.631 0.349 0.403 0.800 0.400 CA 1.074 6 residues pruned to eliminate duplicates Z: 36 18.707 1.814 0.639 0.409 0.914 0.514 CB 1.279 36 residues pruned to eliminate duplicates Z: 14 12.523 1.927 0.443 0.434 0.923 0.385 N 1.448 14 residues pruned to eliminate duplicates Z: 19 13.537 1.856 0.538 0.413 0.944 0.611 CB 1.297 19 residues pruned to eliminate duplicates Z: 33 19.856 1.850 0.606 0.482 0.875 0.719 CB 1.375 34 residues pruned to eliminate duplicates Z: 6 4.630 1.542 1.024 0.347 0.800 0.600 CA 0.979 6 residues pruned to eliminate duplicates Z: 32 22.002 1.866 0.705 0.501 0.935 0.677 CA 1.326 37 residues pruned to eliminate duplicates Z: 6 3.464 1.693 0.752 0.334 0.800 0.400 CB 0.783 6 residues pruned to eliminate duplicates Z: 19 11.899 1.833 0.586 0.473 0.889 0.722 CA 1.116 19 residues pruned to eliminate duplicates Z: 18 14.025 1.867 0.734 0.496 0.882 0.706 CB 1.195 18 residues pruned to eliminate duplicates Z: 18 15.164 1.891 0.673 0.507 0.941 0.765 CA 1.227 18 residues pruned to eliminate duplicates Z: 18 15.261 1.886 0.680 0.524 0.941 0.706 CB 1.212 18 residues pruned to eliminate duplicates Z: 15 12.341 1.842 0.657 0.549 0.929 0.714 CA 1.109 15 residues pruned to eliminate duplicates Z: 14 14.762 1.818 0.739 0.605 0.923 0.846 CB 1.269 14 residues pruned to eliminate duplicates Z: 10 10.735 1.801 0.719 0.653 0.889 0.778 CA 1.128 10 residues pruned to eliminate duplicates Z: 15 11.108 1.693 0.624 0.504 0.929 0.714 CB 1.158 15 residues pruned to eliminate duplicates Z: 9 6.120 1.652 0.236 0.597 0.875 0.875 CA 1.103 9 residues pruned to eliminate duplicates Z: 12 15.847 1.896 0.578 0.642 1.000 0.909 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 12.330 1.809 0.538 0.563 1.000 0.818 CA 1.257 12 residues pruned to eliminate duplicates Z: 13 12.643 1.804 0.443 0.541 1.000 0.833 CA 1.346 13 residues pruned to eliminate duplicates Z: 12 15.543 1.924 0.537 0.657 1.000 0.909 CA 1.370 12 residues pruned to eliminate duplicates Z: 9 9.570 1.909 0.297 0.710 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 24 10.835 1.882 0.496 0.371 0.826 0.478 CB 1.115 22 residues pruned to eliminate duplicates Z: 6 4.931 1.435 0.615 0.450 1.000 1.000 CA 1.002 6 residues pruned to eliminate duplicates Z: 18 6.914 1.760 0.319 0.368 0.706 0.412 CB 1.179 18 residues pruned to eliminate duplicates Z: 14 8.654 1.870 0.481 0.405 0.846 0.615 CB 1.132 14 residues pruned to eliminate duplicates Z: 12 12.151 1.992 0.626 0.516 0.909 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 8.757 1.942 0.350 0.432 0.833 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 14 7.784 1.808 0.433 0.409 0.923 0.692 CB 0.993 14 residues pruned to eliminate duplicates Z: 19 8.141 1.844 0.471 0.386 0.722 0.500 CB 1.105 19 residues pruned to eliminate duplicates Z: 20 10.415 1.856 0.320 0.410 0.842 0.526 CB 1.272 20 residues pruned to eliminate duplicates Z: 19 9.641 1.896 0.562 0.343 0.778 0.556 CB 1.170 19 residues pruned to eliminate duplicates Z: 23 11.752 1.740 0.495 0.391 0.818 0.545 CB 1.321 23 residues pruned to eliminate duplicates Z: 8 5.498 1.794 0.373 0.347 0.857 0.571 CB 1.162 8 residues pruned to eliminate duplicates Z: 19 11.320 1.884 0.471 0.441 0.889 0.722 CB 1.151 19 residues pruned to eliminate duplicates Z: 18 9.805 1.900 0.482 0.396 0.824 0.529 CB 1.144 18 residues pruned to eliminate duplicates Z: 11 5.395 1.837 0.717 0.365 0.700 0.500 CB 0.893 11 residues pruned to eliminate duplicates Z: 13 7.107 1.766 0.716 0.304 0.667 0.333 CB 1.262 14 residues pruned to eliminate duplicates Z: 6 4.875 1.831 0.244 0.399 1.000 0.400 CB 1.065 Z: 9 6.534 2.040 0.424 0.316 0.875 0.375 CB 1.114 10 residues pruned to eliminate duplicates Z: 6 3.698 1.886 0.734 0.296 1.000 0.200 CA 0.635 6 residues pruned to eliminate duplicates Z: 73 41.664 2.024 0.644 0.584 0.917 0.556 CA 1.485 70 residues pruned to eliminate duplicates Z: 7 4.807 1.599 0.493 0.380 1.000 0.167 CA 0.934 7 residues pruned to eliminate duplicates Z: 26 18.643 1.950 0.548 0.453 0.880 0.520 CA 1.473 26 residues pruned to eliminate duplicates Z: 6 2.724 1.506 0.268 0.323 1.000 0.400 N 0.775 6 residues pruned to eliminate duplicates Z: 14 11.651 2.030 0.674 0.340 0.769 0.538 CA 1.472 14 residues pruned to eliminate duplicates Z: 13 15.632 2.055 0.915 0.384 0.750 0.500 CA 1.729 13 residues pruned to eliminate duplicates Z: 15 12.866 1.999 0.647 0.326 0.786 0.429 CA 1.608 15 residues pruned to eliminate duplicates Z: 28 15.832 1.993 0.667 0.340 0.815 0.556 CA 1.340 15 residues pruned to eliminate duplicates Z: 6 4.317 1.523 0.469 0.350 1.000 0.400 CA 1.016 6 residues pruned to eliminate duplicates Z: 14 9.251 1.901 0.415 0.419 0.923 0.538 CA 1.124 14 residues pruned to eliminate duplicates Z: 42 36.393 2.064 0.669 0.707 0.976 0.707 CA 1.400 42 residues pruned to eliminate duplicates Z: 12 12.316 2.004 0.634 0.459 0.909 0.727 CA 1.300 12 residues pruned to eliminate duplicates Z: 42 30.970 2.046 0.502 0.683 0.976 0.732 CA 1.364 42 residues pruned to eliminate duplicates Z: 14 12.005 1.919 0.631 0.405 0.923 0.538 CA 1.274 14 residues pruned to eliminate duplicates Z: 35 26.244 2.065 0.464 0.626 0.941 0.676 CA 1.405 35 residues pruned to eliminate duplicates Z: 47 39.432 2.074 0.740 0.699 0.978 0.696 CA 1.374 47 residues pruned to eliminate duplicates Z: 26 27.597 2.056 0.587 0.758 1.000 0.760 CA 1.345 26 residues pruned to eliminate duplicates Z: 31 33.111 2.081 0.608 0.694 1.000 0.833 CA 1.513 31 residues pruned to eliminate duplicates Z: 48 38.058 1.959 0.702 0.676 1.000 0.702 CA 1.416 48 residues pruned to eliminate duplicates Z: 48 39.364 2.047 0.690 0.690 0.957 0.617 CA 1.458 48 residues pruned to eliminate duplicates Z: 27 28.453 2.089 0.553 0.675 0.962 0.731 CA 1.522 27 residues pruned to eliminate duplicates Z: 42 32.244 2.053 0.520 0.693 0.976 0.707 CA 1.386 42 residues pruned to eliminate duplicates Z: 37 30.153 1.997 0.759 0.587 0.944 0.556 CB 1.394 37 residues pruned to eliminate duplicates Z: 37 30.291 2.009 0.511 0.655 0.972 0.722 CA 1.482 37 residues pruned to eliminate duplicates Z: 49 38.683 2.035 0.753 0.635 0.938 0.562 CA 1.471 49 residues pruned to eliminate duplicates Z: 39 29.808 1.976 0.678 0.587 0.947 0.632 CB 1.417 39 residues pruned to eliminate duplicates Z: 43 34.582 2.008 0.749 0.612 0.952 0.595 CA 1.434 43 residues pruned to eliminate duplicates Z: 46 32.813 2.021 0.656 0.612 0.933 0.578 CA 1.408 46 residues pruned to eliminate duplicates Z: 48 39.069 2.055 0.750 0.671 0.936 0.681 CA 1.445 48 residues pruned to eliminate duplicates Z: 38 28.108 2.004 0.659 0.585 0.946 0.676 CA 1.354 38 residues pruned to eliminate duplicates Z: 63 34.036 2.017 0.539 0.504 0.952 0.581 CA 1.458 63 residues pruned to eliminate duplicates Z: 27 32.276 2.090 0.742 0.703 0.962 0.577 CA 1.503 27 residues pruned to eliminate duplicates Z: 43 36.677 2.054 0.700 0.675 0.952 0.619 CA 1.448 43 residues pruned to eliminate duplicates Z: 28 27.702 2.091 0.523 0.662 0.963 0.593 CA 1.497 28 residues pruned to eliminate duplicates Z: 32 27.130 1.998 0.641 0.639 0.935 0.677 CA 1.395 32 residues pruned to eliminate duplicates Z: 49 39.617 2.039 0.733 0.668 0.917 0.521 CA 1.511 49 residues pruned to eliminate duplicates Z: 37 29.050 2.051 0.613 0.576 0.889 0.500 CA 1.530 37 residues pruned to eliminate duplicates Z: 54 29.951 1.968 0.521 0.604 0.925 0.509 CA 1.347 54 residues pruned to eliminate duplicates Z: 35 35.003 2.065 0.731 0.731 0.941 0.618 CA 1.450 35 residues pruned to eliminate duplicates Z: 12 17.977 1.967 0.553 0.713 1.000 0.455 CA 1.462 12 residues pruned to eliminate duplicates Z: 10 12.395 2.096 0.329 0.781 0.778 0.556 CA 1.489 10 residues pruned to eliminate duplicates Z: 47 39.634 2.063 0.771 0.695 0.913 0.543 CA 1.466 47 residues pruned to eliminate duplicates Z: 47 38.328 2.061 0.690 0.714 0.913 0.565 CA 1.464 47 residues pruned to eliminate duplicates Z: 16 20.833 1.930 0.857 0.645 0.867 0.533 CA 1.513 16 residues pruned to eliminate duplicates Z: 46 38.538 2.093 0.751 0.687 0.911 0.467 CA 1.450 46 residues pruned to eliminate duplicates Z: 45 39.125 2.079 0.648 0.703 0.955 0.568 CA 1.500 45 residues pruned to eliminate duplicates Z: 42 38.496 2.052 0.767 0.693 0.927 0.366 CA 1.499 42 residues pruned to eliminate duplicates Z: 40 39.511 2.094 0.793 0.703 0.923 0.615 CA 1.517 40 residues pruned to eliminate duplicates Z: 20 13.304 1.967 0.360 0.367 0.895 0.526 CA 1.471 15 residues pruned to eliminate duplicates Z: 7 7.521 1.601 0.565 0.542 1.000 0.833 CA 1.177 7 residues pruned to eliminate duplicates Z: 26 29.120 2.071 0.681 0.734 0.920 0.760 CB 1.474 26 residues pruned to eliminate duplicates Z: 32 25.641 1.987 0.627 0.615 0.903 0.710 CB 1.415 32 residues pruned to eliminate duplicates Z: 28 25.814 2.011 0.672 0.652 0.926 0.630 CB 1.385 28 residues pruned to eliminate duplicates Z: 25 33.019 2.105 0.744 0.749 0.958 0.750 CB 1.534 25 residues pruned to eliminate duplicates Z: 30 33.956 2.025 0.811 0.665 0.931 0.724 CA 1.585 30 residues pruned to eliminate duplicates Z: 33 30.270 1.955 0.792 0.607 0.938 0.531 CB 1.472 33 residues pruned to eliminate duplicates Z: 29 30.678 1.993 0.696 0.692 0.964 0.679 CB 1.492 29 residues pruned to eliminate duplicates Z: 24 26.159 2.124 0.490 0.738 0.957 0.696 CB 1.455 24 residues pruned to eliminate duplicates Z: 27 33.088 2.093 0.668 0.722 0.962 0.654 CB 1.582 27 residues pruned to eliminate duplicates Z: 32 29.296 1.969 0.763 0.654 0.935 0.581 CB 1.403 32 residues pruned to eliminate duplicates Z: 48 33.204 2.039 0.685 0.552 0.894 0.617 CA 1.499 48 residues pruned to eliminate duplicates Z: 62 46.818 2.052 0.783 0.620 0.951 0.525 CB 1.538 61 residues pruned to eliminate duplicates Z: 21 36.031 1.959 0.982 0.925 0.950 0.650 CB 1.533 21 residues pruned to eliminate duplicates Z: 71 43.893 2.022 0.646 0.620 0.929 0.586 CB 1.514 73 residues pruned to eliminate duplicates Z: 21 25.354 1.939 0.658 0.898 0.900 0.450 CB 1.401 21 residues pruned to eliminate duplicates Z: 73 42.560 1.982 0.674 0.603 0.903 0.625 CB 1.517 73 residues pruned to eliminate duplicates Z: 34 23.991 1.918 0.775 0.555 0.939 0.515 CB 1.237 34 residues pruned to eliminate duplicates Z: 24 32.529 2.140 0.774 0.765 1.000 0.652 CB 1.413 24 residues pruned to eliminate duplicates Z: 47 33.783 1.954 0.667 0.596 0.957 0.565 CB 1.459 37 residues pruned to eliminate duplicates Z: 21 30.606 1.964 0.765 0.913 0.900 0.700 CB 1.553 21 residues pruned to eliminate duplicates Z: 64 42.837 2.021 0.833 0.567 0.952 0.556 CB 1.434 64 residues pruned to eliminate duplicates Z: 61 47.492 2.068 0.842 0.621 0.933 0.600 CB 1.538 61 residues pruned to eliminate duplicates Z: 74 43.734 1.983 0.682 0.624 0.918 0.630 CB 1.488 74 residues pruned to eliminate duplicates Z: 20 13.035 1.765 0.646 0.502 0.895 0.474 CA 1.147 20 residues pruned to eliminate duplicates Z: 45 22.346 1.787 0.667 0.458 0.886 0.500 CA 1.332 38 residues pruned to eliminate duplicates Z: 12 14.297 1.882 0.307 0.817 1.000 0.636 CA 1.331 12 residues pruned to eliminate duplicates Z: 64 37.700 2.012 0.562 0.571 0.921 0.667 CA 1.534 64 residues pruned to eliminate duplicates Z: 17 17.674 1.824 0.576 0.616 1.000 0.625 CA 1.377 17 residues pruned to eliminate duplicates Z: 48 42.339 2.059 0.787 0.671 0.957 0.489 CB 1.497 40 residues pruned to eliminate duplicates Z: 8 19.356 1.936 1.041 0.894 1.000 0.857 CA 1.328 8 residues pruned to eliminate duplicates Z: 18 17.118 1.834 0.566 0.652 0.941 0.588 CB 1.333 18 residues pruned to eliminate duplicates Z: 41 30.396 2.015 0.699 0.548 0.925 0.575 CA 1.448 41 residues pruned to eliminate duplicates Z: 47 36.136 2.011 0.725 0.655 0.913 0.565 CB 1.457 47 residues pruned to eliminate duplicates Z: 37 24.221 1.935 0.663 0.468 0.917 0.500 CA 1.413 37 residues pruned to eliminate duplicates Z: 38 25.861 2.001 0.716 0.433 0.892 0.486 CA 1.488 38 residues pruned to eliminate duplicates Z: 16 25.944 2.053 0.962 0.670 0.933 0.533 CA 1.523 16 residues pruned to eliminate duplicates Z: 21 22.585 1.921 0.661 0.615 0.950 0.650 CB 1.495 21 residues pruned to eliminate duplicates Z: 22 18.010 1.843 0.786 0.567 0.857 0.619 CA 1.306 22 residues pruned to eliminate duplicates Z: 20 22.312 1.932 0.798 0.608 0.895 0.579 CB 1.487 20 residues pruned to eliminate duplicates Z: 21 18.546 1.924 0.632 0.645 0.800 0.700 CA 1.442 21 residues pruned to eliminate duplicates Z: 47 45.682 2.066 0.746 0.702 0.978 0.630 CB 1.588 47 residues pruned to eliminate duplicates Z: 37 28.154 2.009 0.812 0.465 0.889 0.611 CA 1.503 37 residues pruned to eliminate duplicates Z: 45 25.807 1.918 0.758 0.506 0.818 0.455 CA 1.402 46 residues pruned to eliminate duplicates Z: 6 6.771 1.817 0.135 0.412 1.000 0.200 CB 1.610 Z: 10 11.381 1.745 0.654 0.729 1.000 0.667 CA 1.069 10 residues pruned to eliminate duplicates Z: 24 16.731 1.910 0.589 0.478 0.826 0.478 CA 1.422 24 residues pruned to eliminate duplicates Z: 47 27.566 2.039 0.560 0.472 0.870 0.500 CA 1.511 47 residues pruned to eliminate duplicates Z: 17 11.486 1.922 0.462 0.498 0.875 0.500 CA 1.170 17 residues pruned to eliminate duplicates Z: 9 15.689 2.011 0.635 0.812 1.000 0.625 CA 1.286 9 residues pruned to eliminate duplicates Z: 23 17.583 2.006 0.464 0.451 0.864 0.409 CA 1.554 23 residues pruned to eliminate duplicates Z: 22 15.631 1.935 0.537 0.490 0.857 0.524 CA 1.353 22 residues pruned to eliminate duplicates Z: 21 12.743 1.824 0.481 0.304 0.900 0.450 CB 1.458 Z: 6 3.717 1.662 0.442 0.653 0.600 0.400 CA 1.003 6 residues pruned to eliminate duplicates Z: 16 14.352 1.971 0.461 0.346 1.000 0.600 CB 1.521 17 residues pruned to eliminate duplicates Z: 7 7.315 1.879 0.614 0.519 0.833 0.833 CA 1.159 7 residues pruned to eliminate duplicates Z: 19 12.122 1.859 0.638 0.328 0.833 0.556 CB 1.359 19 residues pruned to eliminate duplicates Z: 17 13.397 1.950 0.459 0.335 0.875 0.500 CB 1.611 17 residues pruned to eliminate duplicates Z: 20 13.491 1.867 0.568 0.325 0.895 0.526 CB 1.432 21 residues pruned to eliminate duplicates Z: 6 5.391 1.752 0.287 0.437 1.000 0.400 CA 1.142 6 residues pruned to eliminate duplicates Z: 17 12.077 1.887 0.619 0.344 0.812 0.562 CB 1.440 17 residues pruned to eliminate duplicates Z: 19 13.709 1.882 0.495 0.292 0.944 0.556 CB 1.536 19 residues pruned to eliminate duplicates Z: 19 13.403 1.898 0.444 0.313 0.889 0.500 CA 1.596 19 residues pruned to eliminate duplicates Z: 19 11.198 1.918 0.296 0.390 1.000 0.556 CB 1.194 18 residues pruned to eliminate duplicates Z: 7 4.379 1.214 0.548 0.455 1.000 0.500 O 0.996 7 residues pruned to eliminate duplicates Z: 20 11.284 1.893 0.302 0.363 0.947 0.421 CB 1.285 19 residues pruned to eliminate duplicates Z: 6 3.559 1.730 0.386 0.250 1.000 0.400 CA 0.885 6 residues pruned to eliminate duplicates Z: 21 10.369 1.821 0.454 0.388 0.850 0.500 CA 1.160 21 residues pruned to eliminate duplicates Z: 20 8.492 1.854 0.254 0.314 0.895 0.737 CA 1.151 20 residues pruned to eliminate duplicates Z: 14 10.366 1.984 0.403 0.426 0.923 0.692 CA 1.208 14 residues pruned to eliminate duplicates Z: 20 10.958 1.906 0.270 0.384 0.947 0.684 CA 1.240 20 residues pruned to eliminate duplicates Z: 19 9.623 1.921 0.207 0.355 0.944 0.500 CB 1.212 19 residues pruned to eliminate duplicates Z: 18 10.200 1.970 0.308 0.366 0.882 0.706 CA 1.257 19 residues pruned to eliminate duplicates Z: 7 4.407 1.495 0.687 0.467 0.667 0.500 CB 1.107 7 residues pruned to eliminate duplicates Z: 28 24.038 2.087 0.771 0.513 0.926 0.630 CB 1.335 28 residues pruned to eliminate duplicates Z: 6 8.238 1.534 1.137 0.389 1.000 0.600 CA 1.264 6 residues pruned to eliminate duplicates Z: 30 17.611 1.999 0.731 0.421 0.897 0.552 CB 1.144 30 residues pruned to eliminate duplicates Z: 29 18.749 2.033 0.658 0.458 0.857 0.607 CB 1.280 29 residues pruned to eliminate duplicates Z: 28 19.160 2.055 0.696 0.471 0.852 0.519 CB 1.279 28 residues pruned to eliminate duplicates Z: 12 9.718 2.012 0.556 0.449 0.818 0.636 CA 1.205 12 residues pruned to eliminate duplicates Z: 6 5.202 1.587 0.735 0.322 1.000 0.400 CA 1.027 6 residues pruned to eliminate duplicates Z: 9 14.326 2.142 0.687 0.543 1.000 0.625 CB 1.344 10 residues pruned to eliminate duplicates Z: 6 3.047 1.481 0.760 0.368 0.800 0.600 CA 0.752 6 residues pruned to eliminate duplicates Z: 20 13.997 2.002 0.495 0.361 0.842 0.421 CB 1.480 20 residues pruned to eliminate duplicates Z: 30 17.437 1.974 0.445 0.386 0.862 0.552 CB 1.487 30 residues pruned to eliminate duplicates Z: 32 16.177 2.009 0.360 0.354 0.839 0.419 CB 1.484 32 residues pruned to eliminate duplicates Z: 33 18.845 2.059 0.530 0.398 0.812 0.438 CB 1.449 33 residues pruned to eliminate duplicates Z: 33 17.659 2.012 0.422 0.384 0.875 0.469 CB 1.411 33 residues pruned to eliminate duplicates Z: 18 13.357 1.992 0.350 0.413 0.882 0.412 CB 1.497 18 residues pruned to eliminate duplicates Z: 34 16.396 1.898 0.464 0.369 0.879 0.515 CB 1.346 34 residues pruned to eliminate duplicates Z: 31 17.600 2.060 0.354 0.383 0.867 0.500 CB 1.507 31 residues pruned to eliminate duplicates Z: 24 13.438 1.916 0.345 0.327 0.913 0.478 CA 1.441 24 residues pruned to eliminate duplicates Z: 21 14.010 1.963 0.486 0.346 0.900 0.550 CB 1.409 21 residues pruned to eliminate duplicates Z: 47 18.976 2.061 0.543 0.288 0.804 0.413 CB 1.389 47 residues pruned to eliminate duplicates Z: 32 19.448 2.047 0.442 0.347 0.903 0.548 CB 1.548 32 residues pruned to eliminate duplicates Z: 20 15.732 1.965 0.474 0.401 0.947 0.632 CA 1.460 20 residues pruned to eliminate duplicates Z: 19 9.739 1.889 0.473 0.269 0.833 0.556 CA 1.287 19 residues pruned to eliminate duplicates Z: 33 14.778 1.998 0.374 0.317 0.812 0.438 CB 1.434 33 residues pruned to eliminate duplicates Z: 33 15.654 2.004 0.407 0.352 0.781 0.469 CA 1.476 33 residues pruned to eliminate duplicates Z: 32 19.360 2.054 0.513 0.364 0.839 0.548 CA 1.544 32 residues pruned to eliminate duplicates Z: 35 16.970 2.046 0.459 0.385 0.765 0.500 CB 1.440 35 residues pruned to eliminate duplicates Z: 19 7.822 1.859 0.378 0.326 0.778 0.333 CB 1.120 19 residues pruned to eliminate duplicates Z: 32 14.979 2.031 0.426 0.287 0.806 0.516 CB 1.463 32 residues pruned to eliminate duplicates Z: 32 17.565 2.044 0.413 0.344 0.871 0.581 CB 1.487 32 residues pruned to eliminate duplicates Z: 32 18.267 2.032 0.433 0.370 0.871 0.581 CB 1.487 32 residues pruned to eliminate duplicates Z: 14 10.714 2.033 0.464 0.387 0.846 0.538 CB 1.330 14 residues pruned to eliminate duplicates Z: 32 18.020 1.981 0.449 0.405 0.903 0.581 CB 1.379 32 residues pruned to eliminate duplicates Z: 14 12.327 2.091 0.365 0.415 0.923 0.462 CB 1.418 14 residues pruned to eliminate duplicates Z: 34 18.554 1.973 0.549 0.405 0.848 0.485 CB 1.377 34 residues pruned to eliminate duplicates Z: 8 6.948 1.960 0.312 0.371 0.857 0.429 CA 1.367 8 residues pruned to eliminate duplicates Z: 31 12.466 1.927 0.481 0.292 0.867 0.333 CB 1.162 31 residues pruned to eliminate duplicates Z: 36 11.019 2.008 0.269 0.235 0.771 0.314 CB 1.289 36 residues pruned to eliminate duplicates Z: 24 9.260 1.992 0.493 0.195 0.739 0.261 CB 1.264 24 residues pruned to eliminate duplicates Z: 29 9.558 1.877 0.282 0.220 0.821 0.321 CB 1.269 29 residues pruned to eliminate duplicates Z: 14 6.000 2.101 0.083 0.151 0.846 0.538 CB 1.328 14 residues pruned to eliminate duplicates Z: 18 9.667 2.008 0.413 0.352 0.824 0.471 CB 1.177 18 residues pruned to eliminate duplicates Z: 19 11.581 1.924 0.482 0.375 0.889 0.444 CB 1.231 19 residues pruned to eliminate duplicates Z: 20 10.949 1.827 0.521 0.306 0.947 0.579 CB 1.183 20 residues pruned to eliminate duplicates Z: 11 6.475 1.962 0.420 0.196 0.800 0.200 CB 1.320 11 residues pruned to eliminate duplicates Z: 32 25.254 2.116 0.423 0.570 0.935 0.645 CB 1.505 32 residues pruned to eliminate duplicates Z: 17 11.264 2.132 0.426 0.257 0.812 0.312 CB 1.505 17 residues pruned to eliminate duplicates Z: 35 12.983 2.050 0.383 0.312 0.765 0.471 CB 1.265 35 residues pruned to eliminate duplicates 6 1.884 1.520 0.051 0.100 0.800 0.600 N 1.098 ? Z: 43 18.828 1.992 0.398 0.400 0.881 0.524 CB 1.315 43 residues pruned to eliminate duplicates Z: 32 29.589 2.067 0.586 0.647 0.968 0.613 CB 1.461 32 residues pruned to eliminate duplicates Z: 34 27.790 1.960 0.481 0.689 1.000 0.788 CB 1.402 34 residues pruned to eliminate duplicates Z: 31 24.877 2.070 0.477 0.649 0.900 0.700 CB 1.436 31 residues pruned to eliminate duplicates Z: 37 22.078 1.892 0.557 0.634 0.889 0.722 CB 1.239 37 residues pruned to eliminate duplicates Z: 30 27.584 1.973 0.726 0.653 0.897 0.724 CB 1.455 30 residues pruned to eliminate duplicates Z: 24 20.234 2.059 0.372 0.664 0.957 0.826 CB 1.342 24 residues pruned to eliminate duplicates Z: 23 24.859 2.051 0.364 0.735 1.000 0.545 CB 1.535 23 residues pruned to eliminate duplicates Z: 21 15.724 1.931 0.326 0.493 0.950 0.650 CA 1.456 21 residues pruned to eliminate duplicates Z: 25 23.268 2.030 0.425 0.633 0.958 0.667 CB 1.513 25 residues pruned to eliminate duplicates Z: 24 26.850 2.120 0.534 0.680 0.913 0.652 CB 1.597 24 residues pruned to eliminate duplicates Z: 23 25.322 2.139 0.450 0.666 0.909 0.727 CB 1.642 23 residues pruned to eliminate duplicates Z: 21 26.506 2.076 0.683 0.714 0.950 0.550 CB 1.471 21 residues pruned to eliminate duplicates Z: 35 30.328 1.976 0.667 0.658 0.941 0.588 CB 1.448 35 residues pruned to eliminate duplicates Z: 26 23.778 1.996 0.483 0.641 0.880 0.640 CB 1.600 26 residues pruned to eliminate duplicates Z: 20 30.980 2.106 0.894 0.775 0.947 0.737 CB 1.475 20 residues pruned to eliminate duplicates Z: 31 24.908 1.992 0.595 0.571 0.900 0.700 CB 1.485 31 residues pruned to eliminate duplicates Z: 49 37.284 2.155 0.704 0.489 0.938 0.604 CB 1.581 36 residues pruned to eliminate duplicates Z: 20 24.379 1.938 0.719 0.900 1.000 0.737 CB 1.199 20 residues pruned to eliminate duplicates Z: 26 20.643 2.019 0.617 0.591 0.880 0.600 CB 1.317 26 residues pruned to eliminate duplicates Z: 24 30.390 1.980 0.806 0.677 1.000 0.696 CB 1.505 23 residues pruned to eliminate duplicates Z: 17 28.694 2.074 0.961 0.906 1.000 0.625 CB 1.255 17 residues pruned to eliminate duplicates Z: 16 27.056 2.078 0.753 0.898 1.000 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 23 16.041 2.031 0.457 0.531 0.818 0.545 CA 1.370 23 residues pruned to eliminate duplicates Z: 53 37.957 2.168 0.718 0.491 0.942 0.615 CB 1.513 53 residues pruned to eliminate duplicates Z: 37 20.464 2.022 0.565 0.358 0.944 0.611 CB 1.330 37 residues pruned to eliminate duplicates Z: 53 36.806 2.143 0.700 0.507 0.923 0.596 CB 1.507 37 residues pruned to eliminate duplicates Z: 6 4.342 1.697 0.552 0.294 1.000 0.400 CA 0.928 6 residues pruned to eliminate duplicates Z: 30 24.368 2.127 0.947 0.429 0.897 0.448 CB 1.312 30 residues pruned to eliminate duplicates Z: 61 39.685 2.134 0.803 0.499 0.917 0.600 CB 1.454 61 residues pruned to eliminate duplicates Z: 47 34.575 2.163 0.778 0.445 0.891 0.543 CB 1.573 47 residues pruned to eliminate duplicates Z: 21 14.057 1.983 0.744 0.384 0.800 0.500 CB 1.285 21 residues pruned to eliminate duplicates Z: 17 11.290 2.033 0.612 0.266 0.938 0.375 CB 1.200 17 residues pruned to eliminate duplicates Z: 56 35.086 2.147 0.723 0.448 0.909 0.618 CB 1.483 56 residues pruned to eliminate duplicates Z: 17 14.263 2.144 0.778 0.213 0.938 0.500 CB 1.400 17 residues pruned to eliminate duplicates Z: 32 21.140 2.201 0.660 0.353 0.839 0.516 CB 1.453 32 residues pruned to eliminate duplicates Z: 7 5.951 1.808 0.247 0.512 1.000 0.333 CA 1.065 7 residues pruned to eliminate duplicates Z: 30 21.806 2.139 0.730 0.414 0.828 0.379 CB 1.447 30 residues pruned to eliminate duplicates Z: 56 35.534 2.129 0.739 0.458 0.909 0.564 CB 1.486 56 residues pruned to eliminate duplicates Z: 18 19.940 2.254 0.643 0.527 0.824 0.647 CB 1.544 18 residues pruned to eliminate duplicates Z: 93 33.868 2.062 0.603 0.382 0.870 0.424 CB 1.393 93 residues pruned to eliminate duplicates Z: 54 37.946 2.153 0.699 0.470 0.962 0.528 CB 1.527 54 residues pruned to eliminate duplicates Z: 53 30.382 2.119 0.642 0.396 0.846 0.615 CA 1.597 53 residues pruned to eliminate duplicates Z: 51 33.849 2.178 0.718 0.426 0.900 0.560 CB 1.534 51 residues pruned to eliminate duplicates Z: 29 20.137 2.119 0.724 0.327 0.857 0.500 CB 1.470 29 residues pruned to eliminate duplicates Z: 35 20.775 1.939 0.528 0.476 0.853 0.471 CB 1.444 35 residues pruned to eliminate duplicates Z: 36 21.611 1.999 0.629 0.406 0.857 0.543 CB 1.445 36 residues pruned to eliminate duplicates Z: 30 25.245 2.223 0.720 0.374 0.897 0.552 CB 1.564 30 residues pruned to eliminate duplicates Z: 11 13.622 2.048 0.485 0.598 0.900 0.700 CB 1.432 11 residues pruned to eliminate duplicates Z: 45 19.421 2.016 0.380 0.413 0.841 0.545 CB 1.371 45 residues pruned to eliminate duplicates Z: 30 24.876 2.204 0.693 0.375 0.897 0.517 CB 1.578 30 residues pruned to eliminate duplicates Z: 11 17.108 2.032 0.782 0.724 1.000 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 33 21.222 2.133 0.601 0.371 0.844 0.469 CB 1.495 33 residues pruned to eliminate duplicates Z: 11 10.079 1.988 0.617 0.628 0.800 0.500 CB 1.098 11 residues pruned to eliminate duplicates Z: 6 3.673 1.588 1.074 0.325 0.600 0.200 CB 1.008 Z: 7 3.056 1.644 0.375 0.397 0.667 0.500 CB 0.923 7 residues pruned to eliminate duplicates Z: 11 9.815 1.960 0.740 0.331 0.900 0.400 CB 1.217 11 residues pruned to eliminate duplicates Z: 11 10.818 1.934 0.560 0.394 1.000 0.500 CB 1.268 11 residues pruned to eliminate duplicates Z: 6 3.781 1.550 0.764 0.388 1.000 0.400 CB 0.697 6 residues pruned to eliminate duplicates Z: 11 9.809 2.036 0.782 0.454 0.800 0.600 CB 1.120 11 residues pruned to eliminate duplicates Z: 24 9.502 1.866 0.504 0.311 0.826 0.478 CB 1.054 24 residues pruned to eliminate duplicates Z: 20 7.902 1.945 0.617 0.223 0.789 0.421 CB 1.011 20 residues pruned to eliminate duplicates Z: 18 7.956 1.978 0.642 0.245 0.706 0.294 CB 1.129 18 residues pruned to eliminate duplicates Z: 24 9.879 1.850 0.702 0.314 0.739 0.435 CB 1.087 22 residues pruned to eliminate duplicates Z: 6 3.995 1.607 0.080 0.397 1.000 0.400 CA 1.147 6 residues pruned to eliminate duplicates Z: 22 10.962 1.935 0.697 0.316 0.762 0.476 CB 1.172 22 residues pruned to eliminate duplicates Z: 14 6.967 1.960 0.655 0.185 0.769 0.308 CB 1.131 14 residues pruned to eliminate duplicates Z: 11 7.147 1.927 0.633 0.154 0.900 0.500 CB 1.221 11 residues pruned to eliminate duplicates Z: 30 12.921 1.983 0.673 0.327 0.793 0.552 CB 1.103 33 residues pruned to eliminate duplicates Z: 6 2.512 1.524 0.242 0.492 1.000 0.600 CA 0.598 6 residues pruned to eliminate duplicates Z: 24 16.107 1.959 0.499 0.449 0.913 0.522 CB 1.321 24 residues pruned to eliminate duplicates Z: 30 12.837 1.952 0.588 0.292 0.793 0.448 CB 1.225 30 residues pruned to eliminate duplicates Z: 34 14.578 1.956 0.445 0.336 0.818 0.485 CB 1.312 54 residues pruned to eliminate duplicates Z: 9 13.521 1.821 0.695 0.501 1.000 0.750 N 1.547 9 residues pruned to eliminate duplicates Z: 33 13.580 2.004 0.380 0.329 0.875 0.438 CB 1.197 33 residues pruned to eliminate duplicates Z: 23 14.148 2.012 0.489 0.418 0.818 0.545 CB 1.341 23 residues pruned to eliminate duplicates Z: 29 14.917 2.044 0.464 0.327 0.821 0.571 CB 1.387 29 residues pruned to eliminate duplicates Z: 45 12.280 1.867 0.402 0.262 0.750 0.341 CB 1.238 45 residues pruned to eliminate duplicates Z: 36 15.964 1.867 0.583 0.330 0.771 0.514 CB 1.426 36 residues pruned to eliminate duplicates Z: 29 15.832 2.000 0.433 0.424 0.821 0.536 CB 1.375 29 residues pruned to eliminate duplicates Z: 31 17.030 1.978 0.499 0.446 0.800 0.533 CB 1.386 31 residues pruned to eliminate duplicates Z: 26 17.132 2.015 0.463 0.466 0.840 0.560 CB 1.432 26 residues pruned to eliminate duplicates Z: 32 15.661 1.892 0.573 0.383 0.903 0.516 CB 1.185 32 residues pruned to eliminate duplicates Z: 17 10.112 1.930 0.448 0.407 0.875 0.500 CB 1.140 17 residues pruned to eliminate duplicates Z: 34 14.945 1.971 0.343 0.314 0.909 0.485 CB 1.328 34 residues pruned to eliminate duplicates Z: 33 14.479 1.989 0.375 0.345 0.844 0.469 CB 1.312 33 residues pruned to eliminate duplicates Z: 27 13.505 2.007 0.512 0.374 0.846 0.462 CB 1.180 19 residues pruned to eliminate duplicates Z: 7 2.172 1.476 1.449 0.195 0.500 0.167 CB 0.706 7 residues pruned to eliminate duplicates Z: 38 15.716 1.875 0.546 0.301 0.865 0.514 CB 1.286 38 residues pruned to eliminate duplicates Z: 101 37.630 2.088 0.466 0.446 0.910 0.610 CB 1.429 101 residues pruned to eliminate duplicates Z: 21 8.698 1.736 0.674 0.282 0.700 0.450 CB 1.223 21 residues pruned to eliminate duplicates Z: 13 5.980 1.609 0.499 0.306 0.833 0.500 CB 1.065 13 residues pruned to eliminate duplicates Z: 49 36.208 2.135 0.615 0.620 0.875 0.542 CB 1.547 49 residues pruned to eliminate duplicates Z: 29 21.575 2.246 0.574 0.469 0.857 0.429 CB 1.389 29 residues pruned to eliminate duplicates Z: 39 24.961 2.103 0.414 0.519 0.868 0.500 CB 1.539 39 residues pruned to eliminate duplicates Z: 33 24.812 2.147 0.571 0.510 0.969 0.594 CB 1.329 33 residues pruned to eliminate duplicates Z: 36 22.308 2.059 0.664 0.451 0.914 0.486 CB 1.265 36 residues pruned to eliminate duplicates Z: 37 20.309 2.062 0.611 0.465 0.889 0.389 CB 1.188 37 residues pruned to eliminate duplicates Z: 32 17.504 2.047 0.402 0.489 0.903 0.613 CB 1.226 32 residues pruned to eliminate duplicates Z: 20 15.462 2.134 0.682 0.332 0.842 0.526 CB 1.410 20 residues pruned to eliminate duplicates Z: 23 14.297 2.080 0.665 0.325 0.864 0.500 CB 1.236 23 residues pruned to eliminate duplicates Z: 31 15.809 2.126 0.592 0.366 0.767 0.367 CB 1.285 31 residues pruned to eliminate duplicates Z: 48 34.441 2.145 0.534 0.596 0.936 0.596 CB 1.488 48 residues pruned to eliminate duplicates Z: 32 20.037 2.109 0.631 0.449 0.839 0.484 CB 1.315 32 residues pruned to eliminate duplicates Z: 22 17.998 2.140 0.878 0.348 0.905 0.429 CB 1.274 22 residues pruned to eliminate duplicates Z: 30 20.676 2.159 0.826 0.434 0.793 0.414 CB 1.315 30 residues pruned to eliminate duplicates Z: 34 24.281 2.116 0.614 0.539 0.939 0.485 CB 1.267 34 residues pruned to eliminate duplicates Z: 15 10.542 2.200 0.572 0.249 0.786 0.286 CB 1.384 15 residues pruned to eliminate duplicates Z: 65 34.756 2.066 0.669 0.512 0.891 0.484 CB 1.399 65 residues pruned to eliminate duplicates Z: 30 18.792 2.168 0.681 0.427 0.759 0.483 CB 1.361 30 residues pruned to eliminate duplicates Z: 37 20.559 2.056 0.728 0.440 0.750 0.583 CB 1.368 37 residues pruned to eliminate duplicates Z: 101 42.138 2.097 0.573 0.518 0.940 0.590 CB 1.336 101 residues pruned to eliminate duplicates Z: 35 24.086 2.088 0.619 0.516 0.941 0.588 CB 1.277 35 residues pruned to eliminate duplicates Z: 96 37.014 2.054 0.570 0.462 0.905 0.484 CB 1.352 96 residues pruned to eliminate duplicates Z: 78 41.201 2.114 0.665 0.537 0.896 0.468 CB 1.436 78 residues pruned to eliminate duplicates Z: 22 21.677 2.117 0.695 0.481 0.857 0.619 CB 1.568 22 residues pruned to eliminate duplicates Z: 13 12.165 2.200 0.805 0.395 0.750 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 47 41.644 2.191 0.755 0.555 0.957 0.565 CB 1.583 44 residues pruned to eliminate duplicates Z: 6 3.017 1.204 0.294 0.487 1.000 1.000 N 0.878 Z: 6 2.195 1.451 0.394 0.330 0.800 0.400 CA 0.731 5 residues pruned to eliminate duplicates Z: 23 27.141 2.174 0.337 0.814 0.955 0.727 CB 1.586 23 residues pruned to eliminate duplicates Z: 54 42.857 2.246 0.699 0.595 0.943 0.623 CB 1.494 54 residues pruned to eliminate duplicates Z: 31 39.234 2.246 0.600 0.703 1.000 0.700 CB 1.657 31 residues pruned to eliminate duplicates Z: 38 33.899 2.179 0.512 0.600 0.946 0.622 CA 1.626 38 residues pruned to eliminate duplicates Z: 73 39.213 2.123 0.635 0.525 0.903 0.542 CB 1.439 49 residues pruned to eliminate duplicates Z: 23 37.264 2.188 0.699 0.863 0.955 0.818 CB 1.642 23 residues pruned to eliminate duplicates Z: 39 35.492 2.189 0.579 0.601 0.947 0.658 CB 1.596 39 residues pruned to eliminate duplicates Z: 70 41.505 2.171 0.585 0.553 0.942 0.638 CB 1.464 70 residues pruned to eliminate duplicates Z: 33 36.146 2.227 0.520 0.725 1.000 0.688 CA 1.541 33 residues pruned to eliminate duplicates Z: 47 35.866 2.183 0.406 0.611 1.000 0.609 CB 1.551 47 residues pruned to eliminate duplicates Z: 105 40.489 2.099 0.509 0.481 0.885 0.567 CB 1.444 108 residues pruned to eliminate duplicates Z: 22 43.255 2.301 0.679 0.888 1.000 0.619 CB 1.761 22 residues pruned to eliminate duplicates Z: 49 34.831 2.154 0.477 0.588 0.938 0.729 CB 1.549 49 residues pruned to eliminate duplicates Z: 40 36.072 2.164 0.674 0.594 0.923 0.615 CA 1.578 40 residues pruned to eliminate duplicates Z: 70 35.564 2.072 0.611 0.483 0.928 0.594 CB 1.406 70 residues pruned to eliminate duplicates Z: 71 32.865 2.069 0.618 0.466 0.871 0.514 CB 1.394 71 residues pruned to eliminate duplicates Z: 47 48.292 2.248 0.686 0.664 0.978 0.630 CB 1.650 47 residues pruned to eliminate duplicates Z: 53 39.712 2.169 0.553 0.581 0.962 0.558 CB 1.574 53 residues pruned to eliminate duplicates Z: 48 32.990 2.123 0.741 0.502 0.894 0.468 CB 1.454 48 residues pruned to eliminate duplicates Z: 31 46.535 2.284 0.812 0.730 1.000 0.700 CB 1.669 31 residues pruned to eliminate duplicates Z: 71 34.275 2.066 0.671 0.454 0.886 0.514 CB 1.404 71 residues pruned to eliminate duplicates Z: 67 39.439 2.127 0.634 0.479 0.924 0.485 CB 1.544 67 residues pruned to eliminate duplicates Z: 82 37.927 2.072 0.626 0.481 0.901 0.568 CB 1.415 82 residues pruned to eliminate duplicates Z: 19 15.660 2.044 0.712 0.364 0.889 0.444 CB 1.372 19 residues pruned to eliminate duplicates Z: 15 12.508 1.872 0.347 0.549 0.857 0.571 CA 1.475 15 residues pruned to eliminate duplicates Z: 21 17.738 2.018 0.530 0.454 0.900 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 15 13.961 1.919 0.512 0.565 0.857 0.571 CA 1.409 14 residues pruned to eliminate duplicates Z: 9 10.502 1.797 0.345 0.721 0.875 0.250 C 1.438 9 residues pruned to eliminate duplicates Z: 20 20.091 2.044 0.580 0.498 0.947 0.421 CB 1.510 21 residues pruned to eliminate duplicates Z: 12 10.240 1.683 0.343 0.567 0.909 0.455 CA 1.408 11 residues pruned to eliminate duplicates Z: 7 5.820 1.631 0.841 0.789 0.667 0.500 CA 0.921 6 residues pruned to eliminate duplicates Z: 12 6.703 1.802 0.480 0.413 0.818 0.455 CB 1.014 6 residues pruned to eliminate duplicates Z: 7 7.032 1.816 0.433 0.582 0.833 0.000 CB 1.224 8 residues pruned to eliminate duplicates Z: 6 6.801 1.531 1.108 0.375 1.000 0.600 O 1.077 6 residues pruned to eliminate duplicates Z: 11 10.906 2.031 0.754 0.350 0.900 0.500 CB 1.266 10 residues pruned to eliminate duplicates Z: 6 2.594 1.585 0.366 0.287 0.600 0.200 CB 1.135 6 residues pruned to eliminate duplicates Z: 33 14.436 1.938 0.389 0.345 0.750 0.469 CB 1.495 33 residues pruned to eliminate duplicates Z: 39 16.236 1.960 0.399 0.321 0.816 0.500 CB 1.434 39 residues pruned to eliminate duplicates Z: 11 9.251 1.895 0.373 0.385 0.900 0.500 CB 1.412 11 residues pruned to eliminate duplicates Z: 36 17.891 1.992 0.475 0.322 0.829 0.543 CA 1.512 36 residues pruned to eliminate duplicates Z: 11 9.718 1.896 0.475 0.350 0.900 0.600 CB 1.436 11 residues pruned to eliminate duplicates Z: 40 15.261 1.899 0.493 0.274 0.821 0.462 CA 1.357 40 residues pruned to eliminate duplicates Z: 11 5.885 1.761 0.426 0.307 0.700 0.500 CB 1.312 11 residues pruned to eliminate duplicates Z: 22 10.917 1.903 0.555 0.295 0.762 0.476 CB 1.328 22 residues pruned to eliminate duplicates Z: 43 15.297 1.828 0.529 0.264 0.786 0.429 CA 1.406 40 residues pruned to eliminate duplicates Z: 9 4.522 1.761 0.295 0.312 0.750 0.500 CB 1.152 9 residues pruned to eliminate duplicates Z: 14 7.747 1.918 0.420 0.253 0.769 0.462 CB 1.362 14 residues pruned to eliminate duplicates Z: 42 16.170 1.871 0.627 0.314 0.756 0.488 CA 1.347 42 residues pruned to eliminate duplicates Z: 37 17.378 1.912 0.504 0.290 0.833 0.417 CA 1.530 37 residues pruned to eliminate duplicates Z: 41 15.881 1.891 0.503 0.292 0.850 0.475 CA 1.312 41 residues pruned to eliminate duplicates Z: 10 6.829 1.860 0.352 0.342 0.889 0.556 CA 1.210 10 residues pruned to eliminate duplicates Z: 25 15.650 1.952 0.497 0.369 0.875 0.583 CB 1.437 25 residues pruned to eliminate duplicates Z: 25 17.577 1.991 0.482 0.377 0.917 0.583 CB 1.513 25 residues pruned to eliminate duplicates Z: 42 16.365 1.893 0.493 0.312 0.829 0.561 CB 1.343 42 residues pruned to eliminate duplicates Z: 45 16.135 1.898 0.538 0.282 0.773 0.455 CA 1.379 45 residues pruned to eliminate duplicates Z: 35 15.587 1.984 0.466 0.292 0.853 0.500 CB 1.360 35 residues pruned to eliminate duplicates Z: 38 15.806 1.893 0.536 0.330 0.838 0.568 CB 1.285 38 residues pruned to eliminate duplicates Z: 36 17.195 1.922 0.596 0.352 0.829 0.571 CB 1.342 36 residues pruned to eliminate duplicates Z: 31 15.654 1.885 0.568 0.303 0.867 0.467 CB 1.390 26 residues pruned to eliminate duplicates Z: 23 17.643 2.057 0.496 0.427 0.864 0.591 CA 1.527 30 residues pruned to eliminate duplicates Z: 6 2.698 1.622 0.172 0.285 0.600 0.000 N 1.347 6 residues pruned to eliminate duplicates Z: 31 17.662 1.944 0.588 0.355 0.833 0.567 CB 1.466 31 residues pruned to eliminate duplicates Z: 21 12.769 1.771 0.672 0.349 0.850 0.600 CB 1.336 20 residues pruned to eliminate duplicates Z: 7 6.268 1.660 -0.185 0.890 1.000 0.833 O 1.360 7 residues pruned to eliminate duplicates Z: 13 15.681 1.841 0.626 0.587 0.917 0.667 CA 1.518 20 residues pruned to eliminate duplicates Z: 10 11.521 1.681 0.313 0.800 1.000 0.333 CA 1.339 7 residues pruned to eliminate duplicates Z: 9 14.410 1.879 0.598 0.833 1.000 0.875 CA 1.273 10 residues pruned to eliminate duplicates Z: 11 9.259 1.573 0.571 0.821 0.800 0.500 CA 1.121 11 residues pruned to eliminate duplicates Z: 14 15.004 1.765 0.712 0.687 0.846 0.615 CB 1.372 14 residues pruned to eliminate duplicates 689 residues left after pruning, divided into chains as follows: A: 8 B: 8 C: 42 D: 9 E: 11 F: 11 G: 12 H: 7 I: 14 J: 9 K: 55 L: 59 M: 11 N: 19 O: 18 P: 27 Q: 51 R: 46 S: 8 T: 20 U: 9 V: 96 W: 10 X: 7 Y: 44 Z: 62 Z: 7 Z: 9 CC for partial structure against native data = 25.57 % ------------------------------------------------------------------------------ Global autotracing cycle 11 = 0.300, Contrast = 0.386, Connect. = 0.689 for dens.mod. cycle 1 = 0.300, Contrast = 0.445, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.524, Connect. = 0.745 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.749 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.753 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.756 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 9 = 0.300, Contrast = 0.560, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6561 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1292 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 32 19.415 2.099 0.768 0.270 0.839 0.452 CB 1.455 B: 18 24.493 2.088 0.535 0.894 1.000 0.765 CB 1.330 C: 22 34.442 2.194 0.534 0.901 1.000 0.810 CB 1.594 D: 63 48.316 2.204 0.800 0.561 0.952 0.629 CB 1.531 43 residues pruned to eliminate duplicates E: 21 44.650 2.305 0.817 0.921 1.000 0.800 CA 1.678 21 residues pruned to eliminate duplicates F: 8 14.363 2.108 0.280 0.911 1.000 0.857 CA 1.426 G: 16 14.693 2.071 0.102 0.917 1.000 0.867 CB 1.173 16 residues pruned to eliminate duplicates H: 22 37.481 2.212 0.579 0.919 1.000 0.810 CA 1.650 22 residues pruned to eliminate duplicates I: 9 12.054 1.956 0.773 0.831 0.750 0.500 CA 1.231 8 residues pruned to eliminate duplicates J: 8 15.706 1.974 0.745 0.895 0.857 0.571 CA 1.441 K: 19 18.828 2.006 0.396 0.903 0.944 0.667 CB 1.196 19 residues pruned to eliminate duplicates L: 16 24.389 2.056 0.571 0.882 1.000 0.600 CA 1.411 M: 10 18.343 2.027 0.649 0.892 0.889 0.667 CA 1.479 9 residues pruned to eliminate duplicates N: 19 18.117 1.976 0.357 0.891 1.000 0.778 CB 1.145 19 residues pruned to eliminate duplicates O: 10 17.259 2.014 0.779 0.909 0.889 0.889 CA 1.282 10 residues pruned to eliminate duplicates P: 22 32.139 2.135 0.688 0.863 0.952 0.857 CB 1.499 22 residues pruned to eliminate duplicates Q: 22 15.473 2.113 0.537 0.336 0.857 0.429 CB 1.451 22 residues pruned to eliminate duplicates R: 7 16.344 1.966 0.589 0.798 1.000 0.833 CA 1.646 S: 20 34.622 2.309 0.577 0.895 0.895 0.789 CB 1.748 20 residues pruned to eliminate duplicates T: 20 25.225 2.048 0.471 0.879 0.947 0.632 CA 1.470 17 residues pruned to eliminate duplicates U: 44 23.852 2.032 0.421 0.490 0.884 0.698 CA 1.439 V: 9 18.510 2.146 0.411 0.916 1.000 0.625 CA 1.526 9 residues pruned to eliminate duplicates W: 14 15.395 1.847 0.363 0.842 0.923 0.923 CB 1.369 15 residues pruned to eliminate duplicates X: 10 12.552 1.680 0.548 0.704 1.000 0.444 CA 1.337 Y: 21 22.733 1.833 0.437 0.907 1.000 0.800 CB 1.371 14 residues pruned to eliminate duplicates Z: 24 13.264 1.882 0.666 0.388 0.826 0.565 CA 1.202 24 residues pruned to eliminate duplicates Z: 22 49.763 2.267 1.109 0.902 1.000 0.714 CB 1.620 22 residues pruned to eliminate duplicates Z: 21 22.267 1.961 0.320 0.892 0.950 0.850 CB 1.455 21 residues pruned to eliminate duplicates Z: 19 25.547 2.069 0.426 0.899 1.000 0.722 CA 1.458 18 residues pruned to eliminate duplicates Z: 11 8.256 1.723 0.354 0.476 0.900 0.600 CA 1.274 Z: 20 17.892 2.169 0.805 0.513 0.789 0.579 CB 1.311 17 residues pruned to eliminate duplicates Z: 13 21.188 2.064 0.355 0.862 1.000 0.583 CA 1.606 13 residues pruned to eliminate duplicates Z: 22 29.888 2.193 0.345 0.911 1.000 0.810 CB 1.567 22 residues pruned to eliminate duplicates Z: 15 10.666 1.876 0.575 0.452 0.929 0.643 CB 1.092 Z: 24 31.096 2.096 0.574 0.880 0.957 0.870 CB 1.489 24 residues pruned to eliminate duplicates Z: 11 18.636 1.844 0.946 0.913 1.000 0.600 CA 1.162 10 residues pruned to eliminate duplicates Z: 10 9.641 1.796 0.544 0.769 0.889 0.778 CA 1.027 Z: 11 14.995 1.937 0.638 0.560 0.900 0.700 CB 1.567 Z: 7 14.915 2.182 0.340 0.844 1.000 0.833 CB 1.550 7 residues pruned to eliminate duplicates Z: 21 50.965 2.322 0.915 0.921 1.000 0.600 CB 1.804 21 residues pruned to eliminate duplicates Z: 9 12.478 1.816 0.284 0.849 1.000 0.750 CA 1.403 9 residues pruned to eliminate duplicates Z: 19 14.790 2.067 0.727 0.342 0.889 0.500 CA 1.304 19 residues pruned to eliminate duplicates Z: 12 7.255 1.806 0.626 0.408 0.636 0.455 CB 1.289 9 residues pruned to eliminate duplicates Z: 21 38.889 2.281 0.597 0.914 1.000 0.850 CB 1.688 21 residues pruned to eliminate duplicates Z: 22 42.860 2.247 0.797 0.926 1.000 0.619 CB 1.625 22 residues pruned to eliminate duplicates Z: 16 11.635 1.894 0.409 0.367 0.933 0.533 CB 1.392 Z: 49 31.878 2.067 0.600 0.510 0.896 0.542 CA 1.537 24 residues pruned to eliminate duplicates Z: 16 13.021 1.939 0.800 0.470 0.867 0.533 CA 1.146 Z: 21 25.973 1.978 0.447 0.900 1.000 0.850 CA 1.449 21 residues pruned to eliminate duplicates Z: 11 13.471 2.017 0.626 0.728 0.700 0.500 CB 1.511 7 residues pruned to eliminate duplicates Z: 15 7.380 1.838 0.593 0.346 0.786 0.571 CB 1.013 15 residues pruned to eliminate duplicates Z: 24 19.919 2.061 0.733 0.508 0.957 0.609 CB 1.206 12 residues pruned to eliminate duplicates Z: 31 19.445 2.135 0.667 0.353 0.867 0.500 CB 1.349 31 residues pruned to eliminate duplicates Z: 21 52.438 2.338 1.026 0.892 1.000 0.600 CB 1.778 21 residues pruned to eliminate duplicates Z: 19 24.346 2.025 0.580 0.917 1.000 0.722 CB 1.265 19 residues pruned to eliminate duplicates Z: 30 12.466 1.985 0.479 0.288 0.793 0.448 CB 1.261 Z: 23 36.521 2.193 0.773 0.898 0.955 0.682 CB 1.502 23 residues pruned to eliminate duplicates Z: 21 32.606 1.961 0.880 0.920 0.950 0.650 CB 1.466 21 residues pruned to eliminate duplicates Z: 21 42.980 2.320 0.761 0.932 0.950 0.550 CB 1.729 21 residues pruned to eliminate duplicates Z: 24 27.730 1.962 0.797 0.614 0.957 0.478 CB 1.540 5 residues pruned to eliminate duplicates Z: 14 12.489 1.847 0.545 0.407 1.000 0.692 N 1.338 16 residues pruned to eliminate duplicates Z: 26 15.467 1.956 0.515 0.327 0.880 0.600 CB 1.434 Z: 7 8.487 1.963 0.794 0.569 0.833 0.500 CB 1.105 7 residues pruned to eliminate duplicates Z: 23 16.086 2.133 0.617 0.348 0.864 0.455 CB 1.358 23 residues pruned to eliminate duplicates Z: 7 12.450 1.936 0.206 0.856 1.000 0.833 CA 1.606 7 residues pruned to eliminate duplicates Z: 16 7.931 1.796 0.418 0.234 0.800 0.400 CB 1.369 Z: 14 12.421 2.021 0.548 0.464 0.923 0.692 CA 1.237 Z: 11 11.611 1.901 0.323 0.755 1.000 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 21 41.528 2.336 0.597 0.913 1.000 0.850 CB 1.762 21 residues pruned to eliminate duplicates Z: 11 16.428 1.818 0.570 0.848 0.900 0.600 CA 1.500 11 residues pruned to eliminate duplicates Z: 11 19.088 1.901 0.832 0.924 1.000 1.000 CB 1.218 11 residues pruned to eliminate duplicates Z: 34 21.385 2.092 0.734 0.345 0.788 0.394 CB 1.541 34 residues pruned to eliminate duplicates Z: 23 13.654 1.836 0.507 0.526 0.864 0.636 CB 1.187 23 residues pruned to eliminate duplicates Z: 21 34.784 2.284 0.435 0.920 1.000 0.550 CB 1.671 21 residues pruned to eliminate duplicates Z: 7 9.115 1.882 1.097 0.595 0.667 0.500 CB 1.291 6 residues pruned to eliminate duplicates Z: 14 9.709 2.046 0.294 0.364 0.846 0.615 CA 1.391 Z: 19 18.749 2.234 0.887 0.335 0.833 0.611 CA 1.507 19 residues pruned to eliminate duplicates Z: 8 8.381 2.124 0.034 0.605 0.857 0.714 CB 1.524 8 residues pruned to eliminate duplicates Z: 56 40.639 2.217 0.577 0.568 0.945 0.455 CB 1.552 56 residues pruned to eliminate duplicates Z: 21 48.332 2.267 1.019 0.927 1.000 0.600 CB 1.654 21 residues pruned to eliminate duplicates Z: 10 8.685 2.092 0.625 0.374 0.667 0.556 CB 1.461 5 residues pruned to eliminate duplicates Z: 22 44.353 2.186 1.035 0.930 0.952 0.619 CB 1.597 22 residues pruned to eliminate duplicates Z: 9 12.232 1.761 0.527 0.829 1.000 0.750 CB 1.210 9 residues pruned to eliminate duplicates Z: 14 7.547 2.129 0.055 0.424 0.692 0.538 CB 1.458 14 residues pruned to eliminate duplicates Z: 20 27.591 1.970 0.516 0.931 1.000 0.842 CB 1.480 20 residues pruned to eliminate duplicates Z: 18 32.366 2.068 0.757 0.919 1.000 0.941 CA 1.522 18 residues pruned to eliminate duplicates Z: 31 16.147 1.953 0.505 0.366 0.833 0.600 CB 1.389 25 residues pruned to eliminate duplicates Z: 17 22.223 2.063 0.335 0.889 1.000 0.750 CB 1.452 17 residues pruned to eliminate duplicates Z: 8 13.421 1.945 0.564 0.903 0.857 0.857 CA 1.387 8 residues pruned to eliminate duplicates Z: 12 15.590 1.833 0.532 0.629 1.000 0.909 CA 1.483 Z: 10 15.609 1.901 0.724 0.861 0.889 0.444 CB 1.313 9 residues pruned to eliminate duplicates Z: 27 11.013 1.841 0.574 0.260 0.769 0.346 CA 1.274 17 residues pruned to eliminate duplicates Z: 22 24.700 1.974 0.726 0.622 1.000 0.619 CA 1.411 22 residues pruned to eliminate duplicates Z: 17 13.145 1.586 1.096 0.544 0.938 0.562 CB 1.010 16 residues pruned to eliminate duplicates Z: 8 4.984 1.567 0.502 0.583 0.857 0.857 CB 0.862 Z: 14 8.411 1.748 0.495 0.506 0.846 0.538 CB 1.048 Z: 9 11.730 1.664 0.414 0.838 1.000 0.750 CA 1.317 9 residues pruned to eliminate duplicates Z: 25 12.186 1.861 0.431 0.401 0.875 0.500 CB 1.185 14 residues pruned to eliminate duplicates Z: 16 22.156 2.048 0.488 0.884 0.933 0.800 CA 1.454 16 residues pruned to eliminate duplicates Z: 17 20.296 2.129 0.525 0.650 0.938 0.812 CB 1.450 17 residues pruned to eliminate duplicates Z: 8 15.456 1.894 0.385 0.879 1.000 0.429 CA 1.615 9 residues pruned to eliminate duplicates Z: 11 10.844 1.943 0.503 0.286 1.000 0.400 CB 1.494 12 residues pruned to eliminate duplicates Z: 11 10.871 1.878 0.953 0.588 0.800 0.600 CA 1.077 11 residues pruned to eliminate duplicates Z: 19 12.132 1.947 0.481 0.325 0.889 0.444 CB 1.353 Z: 29 13.392 2.035 0.480 0.327 0.786 0.429 CB 1.294 26 residues pruned to eliminate duplicates Z: 19 11.574 1.871 0.344 0.354 1.000 0.611 CB 1.270 Z: 14 9.032 1.955 0.308 0.412 0.846 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 23 29.757 2.103 0.486 0.881 0.955 0.818 CB 1.540 23 residues pruned to eliminate duplicates Z: 12 23.261 1.780 1.034 0.919 1.000 0.545 CB 1.365 12 residues pruned to eliminate duplicates Z: 22 11.809 1.783 0.582 0.342 0.762 0.238 CA 1.424 22 residues pruned to eliminate duplicates Z: 19 12.049 1.905 0.373 0.366 0.944 0.500 CA 1.327 20 residues pruned to eliminate duplicates Z: 37 26.720 2.086 0.662 0.426 0.917 0.472 CB 1.513 52 residues pruned to eliminate duplicates Z: 10 8.955 1.673 0.151 0.756 1.000 0.667 CA 1.235 Z: 6 9.259 2.055 0.808 0.505 0.800 0.800 CA 1.387 6 residues pruned to eliminate duplicates Z: 21 16.970 1.864 0.611 0.608 0.850 0.350 CB 1.342 21 residues pruned to eliminate duplicates Z: 17 20.441 1.963 0.737 0.843 0.812 0.562 CB 1.374 17 residues pruned to eliminate duplicates Z: 19 23.977 2.058 0.427 0.913 0.944 0.778 CA 1.442 19 residues pruned to eliminate duplicates Z: 12 12.217 1.844 0.448 0.601 1.000 0.636 CB 1.253 Z: 13 13.189 1.893 0.299 0.494 1.000 0.417 N 1.557 14 residues pruned to eliminate duplicates Z: 19 20.367 1.979 0.390 0.915 1.000 0.833 CB 1.233 19 residues pruned to eliminate duplicates Z: 10 14.771 1.671 0.784 0.916 1.000 0.778 CA 1.166 10 residues pruned to eliminate duplicates Z: 8 2.923 1.550 0.150 0.214 0.857 0.571 CA 1.013 5 residues pruned to eliminate duplicates Z: 66 31.422 2.104 0.515 0.507 0.908 0.677 CB 1.338 67 residues pruned to eliminate duplicates Z: 18 11.513 1.930 0.364 0.415 0.941 0.471 CB 1.231 16 residues pruned to eliminate duplicates Z: 20 24.529 1.901 0.764 0.708 1.000 0.579 CB 1.390 20 residues pruned to eliminate duplicates Z: 18 14.403 1.874 0.443 0.352 1.000 0.529 CB 1.516 19 residues pruned to eliminate duplicates Z: 18 17.438 2.009 0.555 0.551 0.882 0.765 CA 1.460 18 residues pruned to eliminate duplicates Z: 22 44.042 2.271 0.748 0.932 1.000 0.762 CB 1.691 22 residues pruned to eliminate duplicates Z: 10 11.010 1.642 0.324 0.809 1.000 0.667 CA 1.290 10 residues pruned to eliminate duplicates Z: 10 12.911 1.738 0.810 0.802 0.889 0.778 CB 1.182 Z: 13 15.763 1.807 0.603 0.653 0.917 0.750 CA 1.486 13 residues pruned to eliminate duplicates Z: 11 9.996 1.796 0.391 0.742 0.900 0.700 CA 1.131 11 residues pruned to eliminate duplicates Z: 18 13.204 1.982 0.386 0.412 0.941 0.765 CA 1.359 22 residues pruned to eliminate duplicates Z: 11 8.290 1.701 0.623 0.537 0.800 0.700 CB 1.145 11 residues pruned to eliminate duplicates Z: 11 9.262 1.923 -0.069 0.815 1.000 0.500 CB 1.244 11 residues pruned to eliminate duplicates Z: 19 12.885 1.969 0.368 0.339 0.944 0.333 CA 1.423 19 residues pruned to eliminate duplicates Z: 30 18.544 1.980 0.646 0.422 0.931 0.586 CB 1.231 30 residues pruned to eliminate duplicates Z: 8 12.231 2.008 0.285 0.852 0.857 0.714 CB 1.546 8 residues pruned to eliminate duplicates Z: 12 20.379 2.224 0.317 0.879 1.000 0.818 CB 1.522 12 residues pruned to eliminate duplicates Z: 14 10.403 1.856 0.180 0.412 1.000 0.462 CB 1.444 14 residues pruned to eliminate duplicates Z: 10 15.649 1.968 0.428 0.885 1.000 0.889 CB 1.340 10 residues pruned to eliminate duplicates Z: 10 12.274 2.035 0.144 0.843 1.000 0.667 CA 1.308 10 residues pruned to eliminate duplicates Z: 34 16.498 1.997 0.514 0.360 0.818 0.485 CB 1.350 14 residues pruned to eliminate duplicates Z: 15 11.788 1.912 0.442 0.492 0.929 0.500 CB 1.241 13 residues pruned to eliminate duplicates 7 1.655 1.252 0.289 0.241 0.667 0.333 N 0.847 ? Z: 23 23.776 1.980 0.669 0.659 0.909 0.591 CA 1.457 22 residues pruned to eliminate duplicates Z: 8 12.628 1.956 0.531 0.870 1.000 0.571 CB 1.164 8 residues pruned to eliminate duplicates Z: 8 8.741 1.777 0.431 0.623 1.000 0.571 CA 1.157 8 residues pruned to eliminate duplicates Z: 22 14.331 1.867 0.569 0.359 0.810 0.524 CB 1.535 18 residues pruned to eliminate duplicates Z: 9 14.765 1.843 0.334 0.828 1.000 0.625 C 1.598 10 residues pruned to eliminate duplicates Z: 9 15.863 1.879 0.672 0.854 1.000 0.625 CB 1.319 9 residues pruned to eliminate duplicates Z: 11 11.745 1.685 0.767 0.557 0.900 0.700 CB 1.311 11 residues pruned to eliminate duplicates Z: 36 18.104 1.945 0.493 0.419 0.914 0.571 CB 1.254 38 residues pruned to eliminate duplicates Z: 12 8.843 1.798 0.410 0.411 0.818 0.455 CB 1.412 14 residues pruned to eliminate duplicates Z: 9 11.002 1.913 0.504 0.543 0.875 0.375 CB 1.482 Z: 23 18.950 2.135 0.712 0.437 0.864 0.409 CB 1.366 11 residues pruned to eliminate duplicates Z: 20 22.738 1.960 0.433 0.881 0.895 0.842 CB 1.503 20 residues pruned to eliminate duplicates Z: 6 3.915 1.903 0.345 0.468 0.600 0.600 N 1.177 Z: 15 15.150 2.141 0.267 0.856 0.929 0.714 CB 1.185 15 residues pruned to eliminate duplicates Z: 7 5.941 1.862 0.670 0.282 0.667 0.667 N 1.497 7 residues pruned to eliminate duplicates Z: 14 11.136 1.918 0.294 0.422 1.000 0.769 CB 1.350 13 residues pruned to eliminate duplicates Z: 21 27.594 1.946 0.689 0.905 0.950 0.800 CB 1.407 21 residues pruned to eliminate duplicates Z: 15 12.293 1.890 0.816 0.434 0.857 0.429 CB 1.195 15 residues pruned to eliminate duplicates Z: 13 9.016 1.615 0.852 0.375 0.833 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 12 6.479 1.448 0.563 0.434 0.818 0.545 CA 1.130 Z: 33 19.670 1.931 0.556 0.443 0.906 0.469 CB 1.355 33 residues pruned to eliminate duplicates Z: 9 12.523 1.692 0.759 0.842 1.000 0.875 CB 1.109 9 residues pruned to eliminate duplicates Z: 10 6.340 1.610 0.582 0.607 0.889 0.667 CB 0.843 8 residues pruned to eliminate duplicates Z: 23 18.325 2.117 0.722 0.449 0.864 0.591 CB 1.308 23 residues pruned to eliminate duplicates Z: 48 24.908 2.021 0.745 0.436 0.809 0.362 CB 1.362 48 residues pruned to eliminate duplicates Z: 26 18.905 2.019 0.633 0.465 0.800 0.560 CA 1.485 26 residues pruned to eliminate duplicates Z: 24 20.820 2.029 0.237 0.714 0.957 0.783 CB 1.490 24 residues pruned to eliminate duplicates Z: 11 9.216 1.735 0.459 0.570 0.800 0.800 CB 1.346 Z: 17 23.581 2.062 0.586 0.908 1.000 0.875 CB 1.280 17 residues pruned to eliminate duplicates Z: 22 10.969 1.987 0.490 0.286 0.905 0.381 CB 1.136 22 residues pruned to eliminate duplicates Z: 18 27.811 2.069 0.647 0.890 1.000 0.706 CA 1.424 18 residues pruned to eliminate duplicates Z: 6 7.628 1.692 0.621 0.882 0.800 0.800 CA 1.125 6 residues pruned to eliminate duplicates Z: 36 15.072 1.960 0.449 0.320 0.857 0.486 CB 1.277 36 residues pruned to eliminate duplicates Z: 7 2.395 1.434 0.223 0.342 0.667 0.500 CB 0.993 Z: 11 10.713 1.887 0.519 0.594 0.800 0.800 CB 1.349 12 residues pruned to eliminate duplicates Z: 24 14.348 2.091 0.616 0.334 0.826 0.478 CB 1.285 24 residues pruned to eliminate duplicates Z: 15 12.357 1.919 0.579 0.384 0.857 0.500 CA 1.438 15 residues pruned to eliminate duplicates Z: 8 6.149 1.639 -0.048 0.564 1.000 0.714 CB 1.400 Z: 19 16.904 1.951 0.311 0.864 0.833 0.722 CA 1.371 19 residues pruned to eliminate duplicates Z: 12 11.324 1.992 0.786 0.409 0.909 0.636 CB 1.162 12 residues pruned to eliminate duplicates Z: 16 12.977 1.889 0.318 0.368 1.000 0.533 CB 1.551 16 residues pruned to eliminate duplicates Z: 7 9.734 1.872 -0.003 0.880 1.000 0.833 CA 1.543 7 residues pruned to eliminate duplicates Z: 22 18.519 1.973 0.720 0.550 0.952 0.667 CA 1.191 22 residues pruned to eliminate duplicates Z: 20 25.145 2.054 0.293 0.894 1.000 0.632 CA 1.557 20 residues pruned to eliminate duplicates Z: 6 4.254 1.608 0.729 0.449 0.600 0.600 C 1.202 Z: 19 14.377 1.855 0.499 0.334 1.000 0.667 CB 1.460 22 residues pruned to eliminate duplicates Z: 33 29.368 2.050 0.605 0.666 0.969 0.625 CA 1.397 33 residues pruned to eliminate duplicates Z: 11 14.376 1.822 0.469 0.862 1.000 0.800 CB 1.248 11 residues pruned to eliminate duplicates Z: 7 8.892 1.812 -0.077 0.888 1.000 1.000 O 1.562 Z: 10 12.065 1.823 0.261 0.877 1.000 0.778 CB 1.270 10 residues pruned to eliminate duplicates Z: 15 7.129 1.784 0.387 0.394 0.786 0.500 CB 1.096 14 residues pruned to eliminate duplicates Z: 7 5.110 1.907 0.282 0.171 1.000 0.667 CA 1.272 7 residues pruned to eliminate duplicates Z: 23 16.152 2.058 0.359 0.458 0.864 0.545 CA 1.489 23 residues pruned to eliminate duplicates Z: 13 6.805 1.794 0.386 0.483 0.667 0.500 CB 1.205 13 residues pruned to eliminate duplicates Z: 21 21.575 1.848 0.789 0.903 0.850 0.450 CB 1.224 21 residues pruned to eliminate duplicates Z: 26 27.531 2.027 0.558 0.636 0.960 0.600 CB 1.599 20 residues pruned to eliminate duplicates Z: 6 7.780 1.882 0.305 0.666 0.800 0.600 CB 1.518 6 residues pruned to eliminate duplicates Z: 9 9.835 1.971 0.792 0.449 0.875 0.375 CB 1.185 Z: 37 25.108 2.006 0.526 0.568 0.861 0.611 CA 1.487 37 residues pruned to eliminate duplicates Z: 7 2.506 1.692 0.019 0.292 0.667 0.500 CA 1.123 7 residues pruned to eliminate duplicates Z: 14 13.621 2.022 0.453 0.373 0.923 0.462 CB 1.596 14 residues pruned to eliminate duplicates Z: 6 2.547 1.362 0.061 0.794 0.600 0.400 O 1.015 Z: 6 4.205 1.604 0.408 0.451 0.800 0.400 CB 1.094 6 residues pruned to eliminate duplicates Z: 20 19.630 1.867 0.791 0.652 0.842 0.526 CA 1.387 20 residues pruned to eliminate duplicates Z: 9 10.028 1.874 0.330 0.709 0.750 0.500 CB 1.568 9 residues pruned to eliminate duplicates Z: 7 5.932 1.613 0.213 0.628 0.833 0.167 CA 1.317 7 residues pruned to eliminate duplicates Z: 6 4.729 1.671 0.979 0.590 0.800 0.600 CB 0.733 6 residues pruned to eliminate duplicates Z: 20 24.187 1.993 0.580 0.863 0.947 0.632 CA 1.365 20 residues pruned to eliminate duplicates Z: 22 31.391 2.162 0.571 0.918 0.952 0.857 CB 1.493 22 residues pruned to eliminate duplicates Z: 27 26.987 2.004 0.500 0.690 1.000 0.808 CB 1.479 27 residues pruned to eliminate duplicates Z: 10 8.134 1.573 0.172 0.814 1.000 0.444 CA 1.118 7 residues pruned to eliminate duplicates Z: 7 3.207 1.767 0.335 0.327 0.667 0.500 CB 1.007 Z: 35 12.784 1.994 0.412 0.274 0.794 0.471 CB 1.266 32 residues pruned to eliminate duplicates Z: 39 44.677 2.286 0.724 0.730 0.947 0.526 CB 1.578 39 residues pruned to eliminate duplicates Z: 19 29.711 2.057 0.594 0.916 1.000 0.889 CA 1.508 19 residues pruned to eliminate duplicates Z: 20 26.928 2.039 0.605 0.888 0.895 0.579 CA 1.520 20 residues pruned to eliminate duplicates Z: 36 24.635 2.073 0.707 0.320 0.886 0.571 CA 1.620 44 residues pruned to eliminate duplicates Z: 13 11.400 1.908 0.552 0.568 0.833 0.583 CB 1.250 12 residues pruned to eliminate duplicates Z: 10 9.200 1.869 0.087 0.576 0.889 0.556 CA 1.578 11 residues pruned to eliminate duplicates Z: 14 9.103 1.888 0.450 0.388 0.846 0.462 CA 1.228 14 residues pruned to eliminate duplicates Z: 9 5.782 1.852 0.138 0.435 0.750 0.500 CB 1.383 9 residues pruned to eliminate duplicates Z: 40 31.736 2.039 0.507 0.684 0.974 0.641 CA 1.433 40 residues pruned to eliminate duplicates Z: 37 22.213 1.993 0.505 0.492 0.861 0.528 CB 1.445 24 residues pruned to eliminate duplicates Z: 9 7.636 1.751 0.176 0.539 1.000 0.500 CB 1.262 6 residues pruned to eliminate duplicates Z: 27 13.519 1.992 0.387 0.340 0.808 0.500 CA 1.416 27 residues pruned to eliminate duplicates Z: 10 10.341 1.667 0.194 0.870 1.000 0.889 CA 1.264 9 residues pruned to eliminate duplicates Z: 22 31.089 2.180 0.517 0.888 0.952 0.619 CB 1.552 22 residues pruned to eliminate duplicates Z: 30 16.820 1.955 0.561 0.513 0.966 0.586 CB 1.046 30 residues pruned to eliminate duplicates Z: 35 16.361 1.946 0.404 0.345 0.853 0.559 CB 1.426 35 residues pruned to eliminate duplicates Z: 8 5.295 1.877 0.406 0.315 0.714 0.571 CB 1.302 8 residues pruned to eliminate duplicates Z: 12 13.670 1.617 0.435 0.844 1.000 0.818 CA 1.321 12 residues pruned to eliminate duplicates Z: 56 33.549 1.990 0.802 0.519 0.891 0.527 CB 1.389 56 residues pruned to eliminate duplicates Z: 20 7.002 1.705 0.245 0.446 0.842 0.579 CB 0.950 6 residues pruned to eliminate duplicates Z: 25 18.861 1.992 0.529 0.527 0.875 0.583 CB 1.406 25 residues pruned to eliminate duplicates Z: 7 7.764 1.705 0.305 0.847 1.000 0.667 CB 1.058 7 residues pruned to eliminate duplicates Z: 7 4.745 1.683 0.740 0.340 0.667 0.500 N 1.182 Z: 25 11.566 1.831 0.375 0.435 0.875 0.542 CB 1.146 25 residues pruned to eliminate duplicates Z: 22 13.965 1.921 0.506 0.392 0.857 0.476 CB 1.379 6 residues pruned to eliminate duplicates Z: 8 5.444 1.674 -0.096 0.731 1.000 0.429 O 1.106 Z: 9 10.051 1.604 0.377 0.854 1.000 0.625 CA 1.188 9 residues pruned to eliminate duplicates Z: 33 13.314 2.009 0.400 0.334 0.844 0.625 CB 1.189 20 residues pruned to eliminate duplicates Z: 19 15.754 1.775 0.367 0.864 1.000 0.722 CB 1.122 19 residues pruned to eliminate duplicates Z: 7 6.719 1.587 0.739 0.784 0.833 0.500 N 0.929 6 residues pruned to eliminate duplicates Z: 8 6.298 1.838 0.110 0.596 0.857 0.857 CB 1.242 8 residues pruned to eliminate duplicates Z: 17 8.302 1.782 0.435 0.272 0.812 0.500 CA 1.293 17 residues pruned to eliminate duplicates Z: 15 6.953 2.003 0.135 0.410 0.714 0.286 CB 1.257 15 residues pruned to eliminate duplicates Z: 13 13.269 1.901 0.529 0.534 0.917 0.583 CB 1.390 14 residues pruned to eliminate duplicates Z: 9 6.771 1.820 0.351 0.408 0.750 0.375 N 1.431 9 residues pruned to eliminate duplicates Z: 10 6.218 1.647 0.471 0.341 0.778 0.444 N 1.308 10 residues pruned to eliminate duplicates Z: 8 9.107 1.779 0.703 0.588 0.857 0.429 CA 1.219 5 residues pruned to eliminate duplicates Z: 22 11.954 1.844 0.356 0.337 1.000 0.476 CA 1.246 22 residues pruned to eliminate duplicates Z: 16 11.398 1.875 0.729 0.401 0.800 0.533 CB 1.260 7 residues pruned to eliminate duplicates Z: 15 16.021 2.157 0.220 0.914 1.000 0.929 CB 1.150 15 residues pruned to eliminate duplicates Z: 6 10.272 2.035 0.615 0.462 1.000 0.800 N 1.454 Z: 27 18.037 1.990 0.213 0.598 0.885 0.731 CB 1.509 27 residues pruned to eliminate duplicates Z: 10 7.600 1.853 0.306 0.357 1.000 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 11 10.568 1.908 0.550 0.458 0.800 0.600 CA 1.474 11 residues pruned to eliminate duplicates Z: 7 6.618 1.965 0.118 0.357 1.000 0.500 CB 1.435 7 residues pruned to eliminate duplicates Z: 6 4.223 1.714 0.747 0.464 0.600 0.600 CA 1.090 Z: 6 2.315 1.638 -0.060 0.638 0.800 0.400 CB 0.739 Z: 46 33.492 2.178 0.483 0.563 0.956 0.578 CB 1.521 46 residues pruned to eliminate duplicates Z: 32 11.828 1.843 0.481 0.289 0.839 0.419 CB 1.175 32 residues pruned to eliminate duplicates Z: 49 31.489 1.968 0.538 0.608 0.938 0.604 CA 1.445 49 residues pruned to eliminate duplicates Z: 17 11.783 1.906 0.648 0.392 0.875 0.562 CB 1.202 17 residues pruned to eliminate duplicates Z: 16 7.467 1.602 0.734 0.405 0.867 0.400 CB 0.884 16 residues pruned to eliminate duplicates Z: 8 5.552 1.935 0.041 0.513 0.714 0.571 CB 1.440 6 residues pruned to eliminate duplicates Z: 16 21.481 2.053 0.586 0.883 0.867 0.600 CB 1.421 16 residues pruned to eliminate duplicates Z: 31 17.109 2.018 0.466 0.321 0.867 0.533 CB 1.484 31 residues pruned to eliminate duplicates Z: 21 25.926 1.929 0.598 0.906 1.000 0.600 CB 1.337 21 residues pruned to eliminate duplicates Z: 14 7.774 1.944 0.604 0.325 0.692 0.385 CB 1.210 14 residues pruned to eliminate duplicates Z: 11 21.132 2.027 0.960 0.722 0.900 0.500 CA 1.529 11 residues pruned to eliminate duplicates Z: 18 7.341 1.865 0.253 0.317 0.765 0.647 CB 1.220 18 residues pruned to eliminate duplicates Z: 7 5.029 1.427 0.457 0.669 0.833 0.667 C 1.014 6 1.316 1.295 0.221 0.405 0.800 0.400 CB 0.514 ? Z: 65 40.568 2.129 0.699 0.498 0.922 0.609 CB 1.524 65 residues pruned to eliminate duplicates Z: 11 5.176 1.833 0.473 0.243 0.700 0.500 CB 1.165 11 residues pruned to eliminate duplicates Z: 29 20.048 1.985 0.609 0.498 0.964 0.607 CB 1.233 29 residues pruned to eliminate duplicates Z: 11 8.172 1.756 0.599 0.440 0.800 0.500 CA 1.224 11 residues pruned to eliminate duplicates Z: 31 13.653 1.972 0.480 0.268 0.767 0.500 CB 1.450 29 residues pruned to eliminate duplicates Z: 20 11.067 1.888 0.434 0.298 0.895 0.474 CA 1.314 20 residues pruned to eliminate duplicates Z: 6 12.453 2.007 1.156 0.496 1.000 0.800 CA 1.292 6 residues pruned to eliminate duplicates Z: 12 3.527 1.509 0.270 0.360 0.727 0.364 CA 0.887 Z: 31 14.189 2.024 0.298 0.320 0.800 0.633 CB 1.504 31 residues pruned to eliminate duplicates Z: 6 8.702 1.716 0.797 0.701 0.800 0.400 CA 1.314 6 residues pruned to eliminate duplicates 6 1.142 1.441 0.326 0.300 0.600 0.400 N 0.557 ? Z: 34 12.145 1.837 0.367 0.291 0.788 0.576 CA 1.351 34 residues pruned to eliminate duplicates 6 1.461 1.331 0.362 0.558 0.800 0.600 CB 0.426 ? Z: 23 15.637 1.938 0.617 0.470 0.955 0.727 CB 1.149 21 residues pruned to eliminate duplicates Z: 12 4.754 1.706 0.502 0.344 0.636 0.455 CB 1.042 12 residues pruned to eliminate duplicates Z: 26 16.350 2.043 0.713 0.358 0.800 0.520 CB 1.361 26 residues pruned to eliminate duplicates Z: 10 4.286 1.840 0.198 0.378 0.667 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 6 2.614 1.396 0.681 0.383 0.800 0.400 CA 0.705 Z: 11 14.439 1.945 0.576 0.684 1.000 0.600 CB 1.259 11 residues pruned to eliminate duplicates Z: 7 2.018 1.664 0.015 0.381 0.667 0.667 CB 0.830 7 residues pruned to eliminate duplicates Z: 25 20.161 2.012 0.730 0.543 0.917 0.625 CB 1.237 25 residues pruned to eliminate duplicates Z: 37 19.753 1.905 0.439 0.511 0.833 0.583 CB 1.426 37 residues pruned to eliminate duplicates Z: 31 12.443 1.824 0.472 0.349 0.800 0.467 CA 1.246 21 residues pruned to eliminate duplicates Z: 15 10.919 1.711 0.588 0.550 0.857 0.571 CA 1.194 15 residues pruned to eliminate duplicates Z: 10 4.535 1.534 0.547 0.478 0.778 0.556 CB 0.838 10 residues pruned to eliminate duplicates Z: 19 29.587 2.018 0.690 0.884 0.944 0.611 CA 1.565 19 residues pruned to eliminate duplicates Z: 68 39.499 2.193 0.510 0.532 0.940 0.597 CB 1.502 68 residues pruned to eliminate duplicates Z: 7 7.901 1.750 0.815 0.829 1.000 1.000 CB 0.764 Z: 8 9.182 1.802 0.287 0.635 0.857 0.857 C 1.538 8 residues pruned to eliminate duplicates Z: 8 2.364 1.568 0.415 0.347 0.429 0.286 CB 1.109 8 residues pruned to eliminate duplicates Z: 12 10.321 1.971 0.459 0.368 1.000 0.727 CA 1.247 22 residues pruned to eliminate duplicates Z: 21 23.881 1.904 0.791 0.837 0.900 0.450 CB 1.301 21 residues pruned to eliminate duplicates Z: 7 5.303 1.592 0.481 0.534 0.667 0.667 C 1.333 Z: 19 25.441 2.016 0.598 0.886 0.944 0.389 CA 1.422 19 residues pruned to eliminate duplicates Z: 11 9.501 1.922 -0.066 0.858 0.900 0.500 CB 1.369 11 residues pruned to eliminate duplicates Z: 7 4.784 1.546 0.374 0.508 0.833 0.667 CB 1.094 7 residues pruned to eliminate duplicates Z: 18 28.541 1.957 0.745 0.879 1.000 0.588 CB 1.471 18 residues pruned to eliminate duplicates Z: 15 19.825 2.219 0.349 0.775 0.929 0.929 CB 1.495 15 residues pruned to eliminate duplicates Z: 7 4.554 1.847 0.068 0.270 0.833 0.333 CA 1.468 7 residues pruned to eliminate duplicates Z: 22 9.510 1.835 0.534 0.321 0.714 0.476 CB 1.257 22 residues pruned to eliminate duplicates Z: 6 5.015 1.689 0.525 0.436 0.800 0.800 CB 1.163 6 residues pruned to eliminate duplicates Z: 6 3.859 1.416 0.371 0.564 1.000 0.800 C 0.835 Z: 7 2.443 1.764 -0.334 0.462 0.833 0.333 CB 1.059 Z: 12 5.562 1.698 0.537 0.325 0.818 0.545 CB 0.952 12 residues pruned to eliminate duplicates 6 1.844 1.604 -0.053 0.497 0.800 0.800 CB 0.681 ? Z: 13 9.883 1.913 0.380 0.416 0.833 0.500 CA 1.415 24 residues pruned to eliminate duplicates Z: 8 3.957 1.618 0.888 0.336 0.714 0.571 CB 0.820 Z: 11 4.025 1.730 0.284 0.549 0.900 0.600 CB 0.607 Z: 10 6.264 1.809 0.280 0.274 0.778 0.444 CB 1.497 10 residues pruned to eliminate duplicates Z: 25 12.333 2.002 0.414 0.364 0.750 0.500 CB 1.372 25 residues pruned to eliminate duplicates Z: 7 7.794 1.919 0.465 0.792 1.000 0.833 CB 0.876 7 residues pruned to eliminate duplicates Z: 12 7.203 1.776 0.694 0.360 0.636 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 13 12.022 2.067 0.604 0.436 0.833 0.500 CB 1.342 13 residues pruned to eliminate duplicates Z: 7 6.692 1.478 0.758 0.690 0.833 0.500 CB 1.061 Z: 9 4.625 1.561 0.013 0.506 0.875 0.500 C 1.175 Z: 8 6.756 1.848 0.120 0.580 0.857 0.714 CB 1.333 8 residues pruned to eliminate duplicates Z: 6 5.799 1.683 0.196 0.749 0.800 0.400 CA 1.290 6 residues pruned to eliminate duplicates Z: 16 7.043 1.703 0.327 0.333 0.933 0.533 CB 1.036 17 residues pruned to eliminate duplicates Z: 6 5.921 1.827 0.348 0.244 1.000 0.200 CA 1.446 6 residues pruned to eliminate duplicates Z: 7 5.232 1.537 0.642 0.526 0.833 0.500 CB 0.990 Z: 6 5.567 1.714 0.126 0.685 1.000 1.000 CA 1.089 Z: 13 14.278 1.864 0.653 0.560 0.917 0.417 CB 1.376 18 residues pruned to eliminate duplicates Z: 12 11.144 2.097 0.424 0.360 0.818 0.545 CA 1.600 12 residues pruned to eliminate duplicates Z: 19 10.327 1.806 0.489 0.345 0.889 0.500 CA 1.205 19 residues pruned to eliminate duplicates Z: 19 12.200 1.882 0.378 0.386 0.889 0.500 CB 1.409 19 residues pruned to eliminate duplicates Z: 16 6.654 1.829 0.372 0.270 0.800 0.267 CB 1.112 16 residues pruned to eliminate duplicates Z: 12 12.952 1.826 0.508 0.599 1.000 0.818 CB 1.291 11 residues pruned to eliminate duplicates Z: 6 6.540 1.672 0.010 0.868 1.000 0.800 CA 1.267 6 residues pruned to eliminate duplicates Z: 11 7.281 2.149 0.209 0.390 0.700 0.500 CB 1.423 11 residues pruned to eliminate duplicates Z: 20 27.592 2.062 0.520 0.882 0.947 0.526 CA 1.543 20 residues pruned to eliminate duplicates Z: 7 5.841 1.585 0.532 0.596 1.000 0.667 CB 0.896 7 residues pruned to eliminate duplicates Z: 11 5.773 1.684 0.431 0.254 0.800 0.300 CB 1.256 11 residues pruned to eliminate duplicates Z: 11 4.180 1.372 0.368 0.222 0.800 0.400 CB 1.218 Z: 7 5.227 1.772 0.208 0.613 0.833 0.500 CB 1.074 7 residues pruned to eliminate duplicates Z: 11 11.096 1.873 0.500 0.592 0.900 0.700 CB 1.270 9 residues pruned to eliminate duplicates Z: 6 3.819 1.688 0.200 0.416 0.800 0.600 CB 1.151 Z: 11 5.706 1.771 0.373 0.263 0.800 0.500 CB 1.216 11 residues pruned to eliminate duplicates Z: 9 7.103 1.774 0.233 0.591 1.000 0.500 CA 1.052 Z: 8 4.177 1.514 0.494 0.322 0.714 0.571 C 1.189 8 residues pruned to eliminate duplicates Z: 9 3.817 1.992 0.031 0.266 0.750 0.625 CB 1.144 9 residues pruned to eliminate duplicates Z: 37 19.447 1.926 0.673 0.338 0.833 0.583 CB 1.440 43 residues pruned to eliminate duplicates Z: 11 8.725 1.669 0.885 0.510 0.900 0.500 CB 0.964 11 residues pruned to eliminate duplicates Z: 11 6.187 1.606 0.557 0.336 0.800 0.400 C 1.171 11 residues pruned to eliminate duplicates Z: 10 10.406 1.696 0.658 0.870 1.000 0.667 CB 0.901 Z: 19 20.631 2.159 0.648 0.617 0.889 0.778 CB 1.377 19 residues pruned to eliminate duplicates Z: 12 6.481 1.595 0.408 0.597 0.909 0.636 CB 0.872 10 residues pruned to eliminate duplicates 6 1.768 1.474 1.119 0.480 0.600 0.600 CB 0.430 ? Z: 6 8.740 1.715 0.862 0.772 1.000 0.600 N 0.962 Z: 8 2.874 1.676 0.000 0.377 0.857 0.571 CB 0.862 8 residues pruned to eliminate duplicates Z: 16 9.974 1.805 0.642 0.387 0.800 0.533 CB 1.224 16 residues pruned to eliminate duplicates Z: 32 24.310 1.964 0.545 0.627 0.903 0.774 CB 1.413 32 residues pruned to eliminate duplicates Z: 15 9.131 1.775 0.339 0.377 0.857 0.500 CB 1.365 15 residues pruned to eliminate duplicates Z: 12 5.886 1.748 0.480 0.251 0.818 0.545 CB 1.117 12 residues pruned to eliminate duplicates Z: 8 12.324 1.915 0.574 0.753 1.000 0.857 CB 1.233 10 residues pruned to eliminate duplicates Z: 16 13.984 1.937 0.712 0.835 0.733 0.267 CB 1.112 16 residues pruned to eliminate duplicates Z: 6 6.893 1.613 0.225 0.731 1.000 0.600 C 1.268 Z: 11 14.494 1.671 0.947 0.591 0.900 0.600 N 1.435 11 residues pruned to eliminate duplicates Z: 11 8.503 1.835 0.584 0.453 0.900 0.600 CB 1.078 14 residues pruned to eliminate duplicates Z: 11 6.874 1.888 0.362 0.437 0.800 0.700 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 6.276 1.545 0.461 0.547 1.000 0.800 C 1.188 6 residues pruned to eliminate duplicates Z: 57 32.989 2.019 0.629 0.553 0.875 0.643 CA 1.455 57 residues pruned to eliminate duplicates Z: 18 28.519 1.940 0.781 0.912 1.000 0.706 CB 1.418 18 residues pruned to eliminate duplicates Z: 34 18.735 1.984 0.530 0.372 0.848 0.606 CB 1.451 34 residues pruned to eliminate duplicates 6 0.772 1.499 0.055 0.298 0.800 0.600 CB 0.342 ? Z: 7 2.200 1.379 0.213 0.355 0.667 0.500 CB 0.942 Z: 6 5.340 1.853 0.349 0.270 1.000 0.600 CB 1.241 6 residues pruned to eliminate duplicates Z: 7 5.427 1.731 0.742 0.288 0.667 0.500 CA 1.398 7 residues pruned to eliminate duplicates Z: 32 16.584 1.934 0.535 0.372 0.839 0.516 CB 1.371 32 residues pruned to eliminate duplicates Z: 15 32.106 2.179 0.892 0.900 1.000 0.714 CB 1.486 15 residues pruned to eliminate duplicates Z: 6 4.171 1.402 0.318 0.594 1.000 0.600 CA 0.922 Z: 7 5.725 1.698 0.499 0.332 1.000 0.500 CA 1.103 7 residues pruned to eliminate duplicates Z: 31 27.523 2.128 0.725 0.453 0.967 0.567 CB 1.485 31 residues pruned to eliminate duplicates Z: 10 13.826 1.716 0.622 0.678 1.000 0.778 CA 1.405 10 residues pruned to eliminate duplicates 6 1.758 1.727 -0.412 0.235 1.000 0.200 CB 1.054 ? Z: 20 28.694 1.897 0.779 0.921 0.947 0.579 CB 1.449 20 residues pruned to eliminate duplicates Z: 7 5.995 1.765 -0.100 0.821 1.000 1.000 CB 1.167 7 residues pruned to eliminate duplicates Z: 13 5.388 1.733 0.163 0.317 0.917 0.417 CB 1.030 13 residues pruned to eliminate duplicates Z: 6 7.328 1.733 0.380 0.801 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 22 12.909 1.855 0.564 0.433 0.810 0.619 CB 1.285 17 residues pruned to eliminate duplicates Z: 16 11.095 1.981 0.445 0.426 0.867 0.533 CB 1.246 16 residues pruned to eliminate duplicates Z: 11 7.931 1.891 0.304 0.465 1.000 0.900 CB 1.054 11 residues pruned to eliminate duplicates Z: 13 13.136 1.665 0.944 0.524 0.917 0.667 CB 1.248 13 residues pruned to eliminate duplicates 7 1.514 1.451 0.200 0.186 0.500 0.167 CA 1.035 ? Z: 12 5.375 1.647 0.037 0.321 0.818 0.455 CB 1.412 10 residues pruned to eliminate duplicates Z: 12 4.904 1.933 0.419 0.311 0.636 0.455 CB 1.044 12 residues pruned to eliminate duplicates Z: 7 8.147 2.027 0.522 0.690 0.833 0.833 CA 1.088 7 residues pruned to eliminate duplicates Z: 7 5.683 1.611 1.193 0.444 0.667 0.500 CB 1.044 Z: 27 15.661 1.901 0.528 0.389 0.885 0.577 CA 1.344 27 residues pruned to eliminate duplicates Z: 48 36.067 2.010 0.695 0.675 0.894 0.553 CA 1.470 48 residues pruned to eliminate duplicates Z: 6 3.449 1.481 0.527 0.601 0.800 0.600 CB 0.775 Z: 12 5.932 1.762 0.573 0.380 0.727 0.455 CB 1.008 6 residues pruned to eliminate duplicates Z: 7 2.492 1.369 0.207 0.599 0.833 0.667 CB 0.672 Z: 11 8.760 1.596 0.370 0.618 0.900 0.600 CA 1.260 11 residues pruned to eliminate duplicates Z: 8 7.687 1.911 0.494 0.458 0.857 0.714 CA 1.239 8 residues pruned to eliminate duplicates Z: 28 20.485 2.029 0.693 0.459 0.963 0.593 CB 1.243 28 residues pruned to eliminate duplicates Z: 19 7.441 1.817 0.316 0.387 0.778 0.611 CB 1.063 19 residues pruned to eliminate duplicates Z: 6 6.919 1.461 0.543 0.698 1.000 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 6 2.311 1.201 0.106 0.519 1.000 0.600 N 0.764 Z: 30 12.255 2.004 0.343 0.344 0.793 0.483 CB 1.264 30 residues pruned to eliminate duplicates Z: 6 3.175 1.390 0.426 0.588 1.000 0.600 CB 0.658 Z: 12 16.518 2.116 0.234 0.812 1.000 1.000 CB 1.453 12 residues pruned to eliminate duplicates Z: 8 8.098 1.945 0.605 0.437 0.857 0.714 CA 1.220 8 residues pruned to eliminate duplicates Z: 10 10.831 1.683 0.605 0.733 1.000 0.444 CA 1.084 10 residues pruned to eliminate duplicates Z: 13 14.040 1.863 0.456 0.613 1.000 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 8 2.126 1.369 0.228 0.214 0.857 0.429 CB 0.782 Z: 8 5.072 1.481 0.945 0.396 0.714 0.571 CB 1.039 Z: 26 20.776 2.042 0.668 0.546 0.920 0.680 CB 1.268 26 residues pruned to eliminate duplicates Z: 17 16.168 1.968 0.670 0.453 0.875 0.625 CB 1.475 17 residues pruned to eliminate duplicates Z: 6 3.883 1.565 0.236 0.528 0.800 0.400 N 1.092 Z: 12 8.316 1.724 0.417 0.470 0.909 0.636 CA 1.164 12 residues pruned to eliminate duplicates Z: 28 27.238 2.074 0.721 0.658 1.000 0.741 CA 1.268 28 residues pruned to eliminate duplicates Z: 7 4.383 1.636 0.452 0.339 0.667 0.333 N 1.347 Z: 32 13.549 1.815 0.415 0.256 0.903 0.419 CA 1.388 26 residues pruned to eliminate duplicates Z: 14 13.488 1.808 0.357 0.601 0.846 0.462 N 1.638 14 residues pruned to eliminate duplicates Z: 8 6.137 1.665 0.058 0.555 0.857 0.714 CB 1.457 7 residues pruned to eliminate duplicates Z: 12 15.745 1.941 0.749 0.793 0.818 0.455 CA 1.322 12 residues pruned to eliminate duplicates Z: 7 9.453 2.207 0.592 0.270 1.000 0.500 CA 1.426 7 residues pruned to eliminate duplicates Z: 13 3.728 1.496 0.001 0.418 0.833 0.417 CB 0.940 13 residues pruned to eliminate duplicates Z: 6 2.927 1.409 0.155 0.546 1.000 0.600 CB 0.769 Z: 6 2.724 1.404 0.512 0.314 0.800 0.400 CB 0.881 Z: 19 12.599 1.949 0.594 0.389 0.778 0.556 CB 1.383 19 residues pruned to eliminate duplicates Z: 33 28.436 2.049 0.501 0.652 0.969 0.688 CB 1.464 33 residues pruned to eliminate duplicates 6 1.622 1.043 0.469 0.297 0.800 0.800 CB 0.742 ? Z: 6 3.491 1.406 0.262 0.717 0.800 0.800 N 0.904 6 residues pruned to eliminate duplicates Z: 29 13.527 1.798 0.432 0.466 0.857 0.500 CA 1.199 30 residues pruned to eliminate duplicates Z: 25 18.839 1.934 0.539 0.543 0.917 0.458 CB 1.352 25 residues pruned to eliminate duplicates Z: 9 4.784 1.679 0.019 0.469 0.750 0.375 CB 1.360 7 residues pruned to eliminate duplicates Z: 7 3.827 1.516 0.165 0.442 0.833 0.333 CB 1.127 Z: 11 11.729 1.933 0.598 0.652 0.900 0.700 CB 1.159 11 residues pruned to eliminate duplicates Z: 23 15.353 1.969 0.333 0.560 0.955 0.455 CB 1.233 23 residues pruned to eliminate duplicates Z: 17 15.598 1.964 0.835 0.459 0.938 0.562 CB 1.203 17 residues pruned to eliminate duplicates Z: 7 3.041 1.316 0.272 0.427 0.833 0.667 CB 0.960 Z: 46 24.872 2.153 0.529 0.474 0.867 0.600 CB 1.334 46 residues pruned to eliminate duplicates Z: 7 3.291 1.602 -0.078 0.482 1.000 0.833 O 0.927 Z: 6 2.659 1.564 0.326 0.460 0.600 0.600 CB 0.995 Z: 9 4.056 1.399 0.704 0.458 0.750 0.375 N 0.837 Z: 30 23.503 1.908 0.535 0.592 0.966 0.655 CA 1.414 30 residues pruned to eliminate duplicates Z: 13 6.418 1.603 0.536 0.339 0.667 0.500 CA 1.346 13 residues pruned to eliminate duplicates Z: 31 16.400 1.976 0.446 0.332 0.867 0.533 CB 1.453 31 residues pruned to eliminate duplicates Z: 6 3.709 1.669 0.320 0.329 0.800 0.400 CB 1.136 6 residues pruned to eliminate duplicates Z: 23 25.049 2.066 0.405 0.707 0.955 0.773 CB 1.596 23 residues pruned to eliminate duplicates Z: 22 28.442 1.870 0.908 0.927 1.000 0.810 CB 1.219 22 residues pruned to eliminate duplicates Z: 8 2.626 1.508 -0.100 0.382 0.857 0.571 CB 0.968 Z: 56 38.134 2.008 0.664 0.618 0.945 0.509 CB 1.456 56 residues pruned to eliminate duplicates Z: 11 5.812 1.712 0.434 0.617 0.600 0.200 CB 1.117 11 residues pruned to eliminate duplicates Z: 20 14.432 1.835 0.564 0.470 0.842 0.737 CA 1.413 23 residues pruned to eliminate duplicates Z: 15 7.854 1.656 0.654 0.477 0.857 0.500 CB 0.915 11 residues pruned to eliminate duplicates Z: 14 16.751 2.065 0.345 0.688 0.923 0.923 CB 1.526 14 residues pruned to eliminate duplicates Z: 10 5.411 1.510 0.349 0.371 0.889 0.444 CB 1.144 9 residues pruned to eliminate duplicates Z: 25 10.791 1.902 0.469 0.226 0.833 0.417 CB 1.302 22 residues pruned to eliminate duplicates Z: 8 3.894 1.483 0.124 0.504 0.714 0.714 N 1.232 Z: 61 43.252 1.996 0.807 0.616 0.950 0.583 CB 1.459 48 residues pruned to eliminate duplicates Z: 9 4.717 1.737 0.317 0.361 0.750 0.500 CB 1.128 9 residues pruned to eliminate duplicates Z: 11 8.190 1.672 0.879 0.428 0.800 0.300 CA 1.110 11 residues pruned to eliminate duplicates Z: 6 3.183 1.699 0.103 0.723 1.000 1.000 CB 0.621 Z: 8 5.806 1.566 0.595 0.754 1.000 0.714 CB 0.701 Z: 8 7.734 1.770 -0.150 0.901 1.000 0.714 CA 1.386 8 residues pruned to eliminate duplicates Z: 12 5.017 1.805 0.260 0.334 0.818 0.364 CB 0.975 10 residues pruned to eliminate duplicates Z: 9 10.757 1.780 0.435 0.854 0.750 0.250 O 1.466 9 residues pruned to eliminate duplicates Z: 10 2.316 1.570 0.116 0.194 0.556 0.222 CB 1.143 Z: 7 6.409 1.890 0.383 0.599 1.000 0.833 CB 0.911 9 residues pruned to eliminate duplicates Z: 6 2.327 1.565 0.279 0.479 0.600 0.400 N 0.886 Z: 6 5.930 1.449 0.321 0.761 1.000 1.000 O 1.098 Z: 13 6.198 1.931 0.708 0.187 0.667 0.500 CA 1.184 13 residues pruned to eliminate duplicates Z: 10 7.009 1.923 0.382 0.447 0.778 0.778 CB 1.193 10 residues pruned to eliminate duplicates Z: 9 5.914 1.639 0.514 0.510 1.000 0.375 CB 0.835 Z: 6 3.130 1.320 0.780 0.285 1.000 0.600 CB 0.759 Z: 7 4.464 1.697 0.404 0.666 1.000 0.500 N 0.656 Z: 8 3.099 1.860 0.616 0.307 0.571 0.429 CB 0.845 8 residues pruned to eliminate duplicates Z: 12 7.988 1.781 0.608 0.262 0.909 0.636 CA 1.215 12 residues pruned to eliminate duplicates Z: 12 7.257 1.772 0.624 0.250 0.909 0.364 CB 1.115 12 residues pruned to eliminate duplicates Z: 11 8.522 1.655 0.815 0.449 0.900 0.500 CB 1.050 11 residues pruned to eliminate duplicates Z: 10 7.806 1.715 0.602 0.539 0.778 0.444 CA 1.171 10 residues pruned to eliminate duplicates Z: 7 2.619 1.426 0.396 0.312 0.667 0.167 N 0.993 Z: 6 6.683 1.601 0.710 0.628 0.800 0.800 CB 1.210 Z: 6 3.703 1.289 0.044 0.783 1.000 0.600 O 0.959 Z: 13 14.594 1.849 0.512 0.709 1.000 0.583 CA 1.246 13 residues pruned to eliminate duplicates Z: 9 8.573 1.778 0.718 0.444 0.875 0.500 CA 1.201 9 residues pruned to eliminate duplicates Z: 7 3.184 1.669 -0.221 0.531 0.833 0.667 CB 1.163 Z: 7 2.094 1.503 0.005 0.273 0.667 0.500 CA 1.099 7 residues pruned to eliminate duplicates Z: 8 6.955 1.828 0.455 0.817 0.571 0.571 CB 1.313 8 residues pruned to eliminate duplicates Z: 33 29.568 1.968 0.737 0.689 0.875 0.531 CB 1.469 33 residues pruned to eliminate duplicates Z: 38 35.715 2.030 0.802 0.637 0.973 0.784 CA 1.450 38 residues pruned to eliminate duplicates Z: 7 2.531 1.427 0.769 0.238 0.833 0.167 CB 0.666 Z: 11 11.171 1.965 0.602 0.429 0.900 0.700 CB 1.342 12 residues pruned to eliminate duplicates Z: 8 10.122 1.920 0.628 0.727 1.000 0.714 CB 0.998 8 residues pruned to eliminate duplicates Z: 17 13.401 2.005 0.573 0.406 0.875 0.562 CB 1.341 17 residues pruned to eliminate duplicates 6 1.457 1.294 0.176 0.429 0.600 0.600 CB 0.768 ? Z: 21 17.074 1.969 0.613 0.457 0.950 0.600 CB 1.322 21 residues pruned to eliminate duplicates Z: 15 8.249 1.825 0.319 0.417 0.857 0.500 CB 1.165 15 residues pruned to eliminate duplicates Z: 20 29.306 1.973 0.621 0.920 0.947 0.737 CB 1.563 20 residues pruned to eliminate duplicates Z: 17 8.060 1.656 0.293 0.430 0.875 0.562 CB 1.156 17 residues pruned to eliminate duplicates Z: 10 10.334 1.614 0.371 0.856 1.000 0.889 CA 1.147 Z: 10 7.599 1.618 0.658 0.507 0.778 0.556 CA 1.206 10 residues pruned to eliminate duplicates Z: 9 3.190 1.445 0.541 0.383 0.625 0.375 CB 0.918 Z: 8 7.045 1.863 0.553 0.586 0.857 0.571 CB 0.989 8 residues pruned to eliminate duplicates Z: 9 13.750 1.918 0.755 0.871 1.000 0.625 CA 1.053 9 residues pruned to eliminate duplicates Z: 7 3.919 1.446 0.616 0.381 0.667 0.333 N 1.166 Z: 19 12.992 1.926 0.339 0.379 0.944 0.500 CA 1.431 19 residues pruned to eliminate duplicates Z: 15 5.961 1.777 0.093 0.345 0.857 0.429 CB 1.132 15 residues pruned to eliminate duplicates Z: 8 3.341 1.516 0.351 0.209 0.714 0.571 C 1.219 Z: 7 2.932 1.402 0.257 0.457 0.667 0.667 N 1.065 Z: 17 23.798 1.953 0.705 0.845 1.000 0.688 CB 1.329 17 residues pruned to eliminate duplicates Z: 10 20.257 1.939 0.657 0.894 1.000 0.889 CA 1.507 10 residues pruned to eliminate duplicates Z: 6 4.016 1.493 0.948 0.462 0.800 0.800 N 0.802 7 residues pruned to eliminate duplicates Z: 20 14.935 2.007 0.466 0.403 0.895 0.632 CA 1.441 20 residues pruned to eliminate duplicates Z: 8 6.331 1.841 0.211 0.470 0.857 0.571 CA 1.291 8 residues pruned to eliminate duplicates Z: 42 16.775 1.885 0.559 0.328 0.805 0.439 CA 1.337 42 residues pruned to eliminate duplicates Z: 6 5.279 1.607 0.374 0.655 1.000 1.000 N 0.926 Z: 7 7.369 1.645 0.390 0.589 1.000 0.667 CA 1.209 7 residues pruned to eliminate duplicates Z: 9 9.690 1.674 0.352 0.686 1.000 0.875 CB 1.276 10 residues pruned to eliminate duplicates Z: 9 8.875 1.768 0.390 0.862 0.875 0.625 CB 1.071 Z: 16 7.769 1.801 0.492 0.320 0.800 0.600 CB 1.138 16 residues pruned to eliminate duplicates Z: 8 5.143 1.490 0.530 0.355 0.857 0.429 CB 1.164 Z: 19 13.495 1.722 0.617 0.454 0.889 0.722 CB 1.347 22 residues pruned to eliminate duplicates Z: 41 16.824 1.791 0.445 0.398 0.875 0.575 CB 1.309 41 residues pruned to eliminate duplicates Z: 44 18.863 1.902 0.605 0.328 0.837 0.512 CB 1.361 41 residues pruned to eliminate duplicates Z: 11 10.526 2.097 0.403 0.416 0.900 0.400 CB 1.371 11 residues pruned to eliminate duplicates Z: 6 2.377 1.344 0.024 0.299 1.000 0.400 CB 0.966 Z: 15 10.835 1.972 0.268 0.374 0.929 0.643 CA 1.426 15 residues pruned to eliminate duplicates Z: 12 8.780 1.743 0.530 0.514 0.727 0.636 CB 1.347 13 residues pruned to eliminate duplicates Z: 13 6.706 1.537 0.647 0.337 0.750 0.583 C 1.219 13 residues pruned to eliminate duplicates Z: 18 10.054 1.806 0.522 0.539 0.706 0.471 CB 1.210 18 residues pruned to eliminate duplicates Z: 7 6.042 1.538 0.586 0.764 0.833 0.500 N 0.960 Z: 6 2.906 1.689 0.428 0.347 0.600 0.600 N 1.061 Z: 27 12.464 2.029 0.382 0.345 0.769 0.423 CA 1.341 27 residues pruned to eliminate duplicates Z: 15 9.963 1.888 0.306 0.412 0.929 0.714 CB 1.276 15 residues pruned to eliminate duplicates Z: 11 8.662 1.899 0.401 0.477 0.800 0.500 CA 1.317 11 residues pruned to eliminate duplicates Z: 7 4.663 1.843 0.271 0.397 1.000 0.833 CB 0.906 7 residues pruned to eliminate duplicates Z: 12 8.679 1.617 0.690 0.389 0.909 0.364 CA 1.185 10 residues pruned to eliminate duplicates Z: 19 17.667 2.068 0.617 0.539 0.833 0.667 CB 1.437 19 residues pruned to eliminate duplicates Z: 7 6.045 1.706 0.423 0.631 1.000 0.500 CB 0.899 7 1.314 1.277 0.109 0.248 0.500 0.500 CB 1.012 ? Z: 10 13.814 2.105 0.131 0.892 1.000 0.889 CB 1.390 10 residues pruned to eliminate duplicates Z: 8 11.960 1.859 0.611 0.522 1.000 0.571 CB 1.476 8 residues pruned to eliminate duplicates Z: 13 17.585 1.901 0.720 0.846 0.833 0.500 CB 1.384 13 residues pruned to eliminate duplicates Z: 7 2.723 1.358 0.737 0.247 0.667 0.333 CB 0.947 Z: 8 3.301 1.612 0.041 0.396 0.714 0.429 CB 1.161 Z: 6 2.311 1.721 1.034 0.408 0.800 0.400 CB 0.407 6 residues pruned to eliminate duplicates Z: 6 2.186 1.421 0.594 0.294 0.600 0.400 CB 0.906 Z: 17 7.125 1.854 0.417 0.227 0.750 0.562 CB 1.242 17 residues pruned to eliminate duplicates Z: 7 3.922 1.816 0.432 0.395 0.667 0.500 CB 1.032 8 residues pruned to eliminate duplicates Z: 16 8.253 1.854 0.399 0.329 0.800 0.400 CA 1.239 16 residues pruned to eliminate duplicates 6 1.951 1.750 0.184 0.298 0.600 0.600 CA 0.879 ? Z: 9 9.542 1.900 0.588 0.835 0.750 0.625 CB 1.117 9 residues pruned to eliminate duplicates 6 -0.708 1.402 0.887 0.502 0.800 0.600 CB-0.149 ? Z: 19 28.481 2.030 0.883 0.934 1.000 0.833 CB 1.225 18 residues pruned to eliminate duplicates Z: 14 12.279 1.875 0.473 0.482 1.000 0.692 CA 1.256 14 residues pruned to eliminate duplicates Z: 6 3.654 1.699 0.447 0.372 0.800 0.600 CB 0.953 6 residues pruned to eliminate duplicates 6 1.720 1.235 -0.141 0.447 0.800 0.600 C 0.958 ? Z: 6 4.705 1.672 0.221 0.707 1.000 0.600 CA 0.854 Z: 10 5.121 1.379 0.703 0.369 0.889 0.556 N 0.941 Z: 12 5.083 1.780 0.253 0.307 0.727 0.545 CA 1.170 12 residues pruned to eliminate duplicates Z: 11 4.620 1.608 0.272 0.486 0.800 0.500 CB 0.905 11 residues pruned to eliminate duplicates 6 1.497 1.203 0.306 0.361 1.000 0.600 CB 0.495 ? Z: 6 3.767 1.622 0.321 0.361 0.800 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 7 4.632 1.780 0.214 0.579 0.833 0.333 CB 0.973 7 residues pruned to eliminate duplicates Z: 26 27.501 2.010 0.613 0.699 1.000 0.560 CB 1.415 26 residues pruned to eliminate duplicates Z: 18 14.848 1.900 0.448 0.445 0.941 0.824 CA 1.471 18 residues pruned to eliminate duplicates Z: 9 4.085 1.525 0.162 0.365 0.875 0.500 CA 1.077 Z: 22 13.225 1.933 0.467 0.313 0.905 0.429 CB 1.385 22 residues pruned to eliminate duplicates Z: 8 4.713 1.556 -0.019 0.615 0.857 0.714 CB 1.221 8 residues pruned to eliminate duplicates Z: 25 15.910 2.053 0.448 0.435 0.875 0.667 CA 1.334 25 residues pruned to eliminate duplicates Z: 6 2.333 1.382 0.207 0.297 0.800 0.400 N 0.980 Z: 9 7.524 1.852 0.478 0.458 0.750 0.625 CB 1.353 9 residues pruned to eliminate duplicates 6 1.683 1.040 0.274 0.462 1.000 0.600 CA 0.590 ? Z: 10 3.349 1.511 0.339 0.384 0.778 0.333 CB 0.803 10 residues pruned to eliminate duplicates Z: 6 3.659 1.514 0.487 0.355 0.800 0.400 CB 1.063 Z: 24 23.095 2.015 0.482 0.723 0.913 0.696 CB 1.444 24 residues pruned to eliminate duplicates Z: 6 3.000 1.716 0.095 0.619 0.600 0.600 CA 1.063 5 residues pruned to eliminate duplicates Z: 14 6.872 1.641 0.299 0.489 0.846 0.538 CB 1.068 9 residues pruned to eliminate duplicates Z: 19 13.793 1.961 0.411 0.341 1.000 0.611 CA 1.398 19 residues pruned to eliminate duplicates Z: 20 13.109 1.835 0.453 0.484 0.842 0.474 CB 1.362 20 residues pruned to eliminate duplicates 7 1.719 1.466 0.138 0.256 1.000 0.333 CB 0.556 ? Z: 6 2.094 1.676 0.128 0.184 0.800 0.400 CB 0.906 Z: 25 14.628 1.918 0.531 0.376 0.833 0.500 CA 1.392 25 residues pruned to eliminate duplicates Z: 10 11.905 1.762 0.230 0.690 1.000 0.556 CA 1.538 11 residues pruned to eliminate duplicates Z: 9 2.811 1.420 0.042 0.538 0.625 0.375 CB 1.035 9 residues pruned to eliminate duplicates Z: 11 20.812 2.018 0.617 0.894 0.900 0.400 CA 1.608 14 residues pruned to eliminate duplicates Z: 8 4.722 1.292 0.782 0.411 0.857 0.286 C 0.993 Z: 11 12.252 1.746 0.781 0.683 0.900 0.800 CA 1.170 11 residues pruned to eliminate duplicates Z: 17 25.002 1.982 0.598 0.867 1.000 0.750 CB 1.443 17 residues pruned to eliminate duplicates Z: 6 2.749 1.435 0.495 0.463 0.600 0.600 CB 0.991 Z: 6 4.694 1.204 1.084 0.846 1.000 0.600 CA 0.621 Z: 7 6.261 1.644 0.651 0.690 1.000 1.000 CB 0.791 6 residues pruned to eliminate duplicates Z: 25 12.954 1.953 0.427 0.393 0.833 0.542 CB 1.275 25 residues pruned to eliminate duplicates Z: 6 3.493 1.594 0.366 0.584 0.800 0.400 CB 0.827 Z: 18 12.602 1.819 0.375 0.354 0.941 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 6 2.074 1.393 0.363 0.281 0.600 0.400 N 1.042 6 residues pruned to eliminate duplicates Z: 7 6.501 1.743 0.431 0.843 1.000 0.833 CB 0.792 6 residues pruned to eliminate duplicates Z: 8 3.700 1.840 0.322 0.360 0.571 0.429 CA 1.170 8 residues pruned to eliminate duplicates Z: 34 26.860 2.034 0.407 0.642 1.000 0.727 CA 1.431 34 residues pruned to eliminate duplicates Z: 19 22.297 2.008 0.634 0.919 0.944 0.778 CB 1.194 19 residues pruned to eliminate duplicates Z: 6 5.440 1.742 0.394 0.480 0.800 0.800 CA 1.278 6 residues pruned to eliminate duplicates Z: 15 11.696 1.888 0.537 0.387 0.857 0.500 CB 1.417 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.076 1.617 0.215 0.403 1.000 0.200 CA 1.028 6 residues pruned to eliminate duplicates Z: 10 12.020 1.933 0.638 0.619 0.778 0.667 CB 1.453 11 residues pruned to eliminate duplicates Z: 12 13.457 1.849 0.479 0.681 0.818 0.455 CA 1.535 10 residues pruned to eliminate duplicates Z: 13 13.202 1.805 0.516 0.682 0.833 0.500 CA 1.414 12 residues pruned to eliminate duplicates Z: 11 10.282 1.835 0.480 0.808 0.800 0.400 CB 1.144 11 residues pruned to eliminate duplicates Z: 13 11.079 1.833 0.368 0.703 0.750 0.417 CB 1.414 13 residues pruned to eliminate duplicates Z: 9 10.337 1.921 0.341 0.850 0.875 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 10 11.234 1.980 0.395 0.651 0.667 0.222 CA 1.767 10 residues pruned to eliminate duplicates Z: 21 12.324 1.890 0.421 0.362 0.900 0.600 CA 1.322 21 residues pruned to eliminate duplicates Z: 10 4.888 1.796 0.313 0.231 0.667 0.444 CB 1.417 10 residues pruned to eliminate duplicates Z: 21 11.050 1.856 0.390 0.297 0.900 0.550 CA 1.334 21 residues pruned to eliminate duplicates Z: 39 15.588 1.851 0.450 0.291 0.868 0.500 CB 1.371 39 residues pruned to eliminate duplicates Z: 20 11.103 1.893 0.220 0.343 1.000 0.684 CA 1.308 20 residues pruned to eliminate duplicates Z: 26 12.976 2.019 0.352 0.327 0.840 0.640 CB 1.369 26 residues pruned to eliminate duplicates Z: 13 10.178 2.031 0.442 0.319 1.000 0.583 CA 1.224 13 residues pruned to eliminate duplicates Z: 20 10.239 1.873 0.360 0.274 0.895 0.474 CA 1.333 20 residues pruned to eliminate duplicates Z: 20 11.829 1.888 0.415 0.286 1.000 0.579 CA 1.293 20 residues pruned to eliminate duplicates Z: 16 9.812 1.847 0.513 0.286 0.933 0.333 CA 1.235 16 residues pruned to eliminate duplicates Z: 31 12.902 1.858 0.367 0.357 0.867 0.600 CA 1.248 31 residues pruned to eliminate duplicates Z: 19 11.450 1.945 0.365 0.275 1.000 0.667 CA 1.312 19 residues pruned to eliminate duplicates Z: 35 14.781 1.896 0.495 0.289 0.824 0.412 CA 1.375 35 residues pruned to eliminate duplicates Z: 27 10.763 1.900 0.240 0.299 0.846 0.654 CA 1.326 27 residues pruned to eliminate duplicates Z: 21 11.808 1.934 0.331 0.278 0.900 0.400 CA 1.464 21 residues pruned to eliminate duplicates Z: 22 12.137 1.895 0.284 0.359 0.952 0.667 CA 1.330 22 residues pruned to eliminate duplicates Z: 34 14.136 1.994 0.426 0.257 0.788 0.485 CB 1.452 34 residues pruned to eliminate duplicates Z: 37 12.710 1.833 0.365 0.257 0.806 0.444 CB 1.389 37 residues pruned to eliminate duplicates Z: 34 13.680 1.919 0.383 0.262 0.818 0.364 CA 1.439 34 residues pruned to eliminate duplicates Z: 34 13.507 1.938 0.369 0.272 0.788 0.485 CB 1.457 34 residues pruned to eliminate duplicates Z: 27 13.032 1.984 0.462 0.272 0.846 0.385 CA 1.349 27 residues pruned to eliminate duplicates Z: 16 6.563 1.883 0.395 0.272 0.600 0.467 N 1.393 16 residues pruned to eliminate duplicates Z: 32 15.095 1.903 0.439 0.341 0.839 0.452 CB 1.404 32 residues pruned to eliminate duplicates Z: 30 11.769 1.936 0.305 0.297 0.828 0.483 CA 1.311 30 residues pruned to eliminate duplicates Z: 33 12.474 1.868 0.460 0.288 0.781 0.375 CB 1.313 33 residues pruned to eliminate duplicates Z: 38 14.835 1.916 0.429 0.262 0.838 0.486 CB 1.396 38 residues pruned to eliminate duplicates Z: 29 8.490 1.897 0.327 0.214 0.750 0.357 CB 1.191 29 residues pruned to eliminate duplicates Z: 8 4.011 1.649 0.286 0.362 0.857 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 33 11.328 1.874 0.382 0.216 0.812 0.344 CB 1.329 33 residues pruned to eliminate duplicates Z: 10 6.320 1.830 0.696 0.362 0.778 0.444 CB 1.011 10 residues pruned to eliminate duplicates Z: 15 9.296 2.064 0.492 0.309 0.786 0.429 CB 1.270 15 residues pruned to eliminate duplicates Z: 10 8.647 1.768 0.826 0.265 0.889 0.222 CB 1.313 10 residues pruned to eliminate duplicates Z: 15 7.336 1.802 0.512 0.194 0.786 0.214 CB 1.320 15 residues pruned to eliminate duplicates Z: 9 5.726 1.682 0.417 0.278 0.875 0.375 C 1.248 9 residues pruned to eliminate duplicates Z: 39 14.730 1.947 0.385 0.254 0.816 0.447 CB 1.441 39 residues pruned to eliminate duplicates Z: 12 6.049 1.757 0.633 0.229 0.636 0.182 CB 1.370 12 residues pruned to eliminate duplicates Z: 21 11.284 1.912 0.786 0.298 0.750 0.400 CB 1.235 21 residues pruned to eliminate duplicates Z: 6 2.806 1.385 0.390 0.331 0.800 0.600 CB 0.981 6 residues pruned to eliminate duplicates Z: 8 4.647 1.587 0.155 0.401 0.857 0.714 O 1.241 8 residues pruned to eliminate duplicates Z: 8 5.336 1.577 0.404 0.387 0.857 0.714 O 1.198 8 residues pruned to eliminate duplicates Z: 10 10.763 1.788 0.489 0.492 1.000 0.222 CB 1.359 11 residues pruned to eliminate duplicates 6 1.016 1.222 0.715 0.178 0.600 0.200 O 0.533 ? Z: 6 4.468 1.601 0.288 0.426 1.000 0.400 N 1.046 6 residues pruned to eliminate duplicates Z: 11 7.271 1.712 0.503 0.412 0.800 0.500 CB 1.225 11 residues pruned to eliminate duplicates Z: 10 6.834 1.689 0.524 0.386 0.889 0.333 CB 1.124 10 residues pruned to eliminate duplicates Z: 7 11.483 1.920 0.683 0.696 0.833 0.833 CA 1.456 7 residues pruned to eliminate duplicates Z: 8 14.193 1.972 0.803 0.641 0.857 0.857 CB 1.542 8 residues pruned to eliminate duplicates Z: 16 8.764 1.654 0.647 0.327 0.867 0.467 CA 1.159 12 residues pruned to eliminate duplicates Z: 6 6.348 1.470 0.777 0.433 1.000 0.800 N 1.165 6 residues pruned to eliminate duplicates Z: 14 7.889 1.756 0.429 0.352 0.769 0.462 CA 1.331 14 residues pruned to eliminate duplicates Z: 11 8.763 1.879 0.472 0.449 0.700 0.500 CB 1.508 11 residues pruned to eliminate duplicates Z: 10 9.272 1.906 0.490 0.468 0.778 0.556 CB 1.446 10 residues pruned to eliminate duplicates Z: 13 7.826 1.836 0.475 0.347 0.750 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 13 7.543 1.796 0.472 0.334 0.750 0.417 CB 1.317 13 residues pruned to eliminate duplicates Z: 7 3.418 1.608 0.122 0.174 1.000 0.667 CB 1.147 6 residues pruned to eliminate duplicates Z: 6 3.989 1.408 0.593 0.302 1.000 0.600 C 0.991 6 residues pruned to eliminate duplicates Z: 13 14.886 1.770 0.674 0.594 1.000 0.750 CB 1.326 14 residues pruned to eliminate duplicates Z: 8 3.678 1.330 0.427 0.297 1.000 0.429 CA 0.919 8 residues pruned to eliminate duplicates Z: 14 8.828 1.779 0.460 0.524 0.846 0.538 CB 1.088 14 residues pruned to eliminate duplicates Z: 15 12.077 1.799 0.503 0.500 0.857 0.571 CB 1.393 15 residues pruned to eliminate duplicates Z: 11 13.741 1.957 0.468 0.716 0.900 0.600 CB 1.382 11 residues pruned to eliminate duplicates Z: 6 2.262 1.581 -0.180 0.375 0.800 0.200 N 1.114 6 residues pruned to eliminate duplicates Z: 7 5.205 1.513 0.249 0.489 1.000 0.667 N 1.136 7 residues pruned to eliminate duplicates Z: 9 8.736 1.874 0.328 0.455 1.000 0.625 N 1.300 10 residues pruned to eliminate duplicates Z: 7 2.905 1.537 0.834 0.324 0.833 0.667 CB 0.612 7 residues pruned to eliminate duplicates Z: 14 10.069 2.008 0.263 0.421 0.923 0.692 CB 1.295 15 residues pruned to eliminate duplicates Z: 7 6.124 1.741 0.296 0.400 0.833 0.667 N 1.477 7 residues pruned to eliminate duplicates Z: 6 2.443 1.376 0.605 0.436 0.800 0.400 CA 0.661 6 residues pruned to eliminate duplicates Z: 13 8.413 1.825 0.410 0.454 0.750 0.500 CA 1.319 13 residues pruned to eliminate duplicates Z: 7 6.227 1.908 0.802 0.598 0.500 0.500 N 1.347 7 residues pruned to eliminate duplicates Z: 12 9.874 1.904 0.577 0.490 0.727 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 8 8.242 1.636 0.744 0.463 1.000 0.571 CB 1.134 8 residues pruned to eliminate duplicates Z: 13 11.903 1.937 0.421 0.340 0.917 0.417 CA 1.621 13 residues pruned to eliminate duplicates Z: 14 13.901 1.860 0.672 0.449 0.923 0.538 N 1.415 14 residues pruned to eliminate duplicates Z: 32 18.698 1.879 0.479 0.481 0.935 0.548 CB 1.317 31 residues pruned to eliminate duplicates Z: 7 5.743 1.796 0.409 0.430 0.833 0.500 CA 1.196 7 residues pruned to eliminate duplicates Z: 17 13.999 1.921 0.490 0.418 0.938 0.625 CB 1.420 17 residues pruned to eliminate duplicates Z: 6 3.234 1.435 0.544 0.306 0.800 0.800 CA 1.013 6 residues pruned to eliminate duplicates Z: 21 15.487 1.881 0.573 0.435 0.950 0.500 CA 1.318 21 residues pruned to eliminate duplicates Z: 6 3.949 1.512 0.291 0.440 1.000 0.400 CA 0.963 6 residues pruned to eliminate duplicates Z: 16 13.990 1.930 0.465 0.418 0.933 0.533 CB 1.491 16 residues pruned to eliminate duplicates Z: 33 18.637 1.902 0.516 0.436 0.906 0.562 CB 1.346 33 residues pruned to eliminate duplicates Z: 7 4.832 1.559 0.751 0.487 1.000 0.667 CA 0.732 7 residues pruned to eliminate duplicates Z: 21 16.819 1.857 0.735 0.457 0.900 0.500 CA 1.355 22 residues pruned to eliminate duplicates 6 1.342 1.414 0.800 0.100 0.600 0.200 CB 0.655 ? Z: 6 5.033 1.460 1.109 0.401 0.800 0.800 CA 1.015 Z: 6 3.964 1.345 0.558 0.466 1.000 0.800 CA 0.876 6 residues pruned to eliminate duplicates Z: 15 12.948 1.621 0.631 0.547 1.000 0.643 CA 1.250 21 residues pruned to eliminate duplicates Z: 23 11.984 1.891 0.439 0.377 0.818 0.682 CA 1.308 23 residues pruned to eliminate duplicates Z: 13 15.332 1.910 0.636 0.662 0.917 0.917 CA 1.330 13 residues pruned to eliminate duplicates Z: 23 14.028 1.940 0.528 0.340 0.864 0.682 CA 1.390 23 residues pruned to eliminate duplicates Z: 22 14.277 1.907 0.536 0.434 0.857 0.714 CA 1.329 22 residues pruned to eliminate duplicates Z: 56 20.503 1.907 0.512 0.372 0.836 0.582 CB 1.315 55 residues pruned to eliminate duplicates Z: 6 4.783 1.551 0.382 0.481 1.000 0.600 CA 1.017 6 residues pruned to eliminate duplicates Z: 12 9.037 1.911 0.448 0.400 0.818 0.364 CA 1.338 12 residues pruned to eliminate duplicates Z: 35 16.368 1.887 0.522 0.366 0.794 0.441 CB 1.421 33 residues pruned to eliminate duplicates Z: 7 3.170 1.356 0.648 0.307 0.667 0.333 CA 1.076 7 residues pruned to eliminate duplicates Z: 24 11.173 1.898 0.382 0.347 0.783 0.565 CA 1.339 24 residues pruned to eliminate duplicates Z: 13 6.442 2.007 0.423 0.239 0.750 0.417 CB 1.176 13 residues pruned to eliminate duplicates Z: 11 5.102 1.883 0.431 0.233 0.700 0.300 CB 1.166 11 residues pruned to eliminate duplicates Z: 7 4.216 1.909 0.457 0.322 0.833 0.500 CB 0.904 7 residues pruned to eliminate duplicates Z: 21 5.364 1.710 0.633 0.187 0.700 0.350 CB 0.893 21 residues pruned to eliminate duplicates Z: 10 6.298 1.979 0.720 0.265 0.778 0.333 CB 1.037 11 residues pruned to eliminate duplicates Z: 7 3.287 1.677 0.835 0.294 0.667 0.333 CB 0.824 7 residues pruned to eliminate duplicates Z: 10 6.819 1.973 0.481 0.346 0.778 0.444 CB 1.182 10 residues pruned to eliminate duplicates Z: 13 5.694 1.939 0.789 0.285 0.500 0.250 CB 1.207 13 residues pruned to eliminate duplicates Z: 10 3.287 1.566 0.568 0.141 0.667 0.222 CB 1.045 10 residues pruned to eliminate duplicates Z: 7 3.809 1.741 0.472 0.171 0.667 0.000 N 1.355 7 residues pruned to eliminate duplicates Z: 19 11.625 1.986 0.550 0.325 0.722 0.500 CB 1.493 19 residues pruned to eliminate duplicates Z: 40 29.109 2.027 0.682 0.574 0.872 0.667 CA 1.459 40 residues pruned to eliminate duplicates Z: 31 14.679 1.949 0.508 0.303 0.800 0.433 CB 1.419 31 residues pruned to eliminate duplicates Z: 35 26.876 2.028 0.631 0.618 0.912 0.647 CA 1.367 35 residues pruned to eliminate duplicates Z: 35 27.629 2.034 0.467 0.638 0.971 0.647 CA 1.437 35 residues pruned to eliminate duplicates Z: 20 20.562 2.015 0.640 0.607 1.000 0.842 CA 1.289 20 residues pruned to eliminate duplicates Z: 13 7.751 1.890 0.341 0.348 1.000 0.583 CA 1.042 13 residues pruned to eliminate duplicates Z: 36 25.676 2.027 0.525 0.607 0.914 0.714 CA 1.387 36 residues pruned to eliminate duplicates Z: 32 31.848 2.077 0.580 0.649 1.000 0.806 CA 1.517 32 residues pruned to eliminate duplicates Z: 7 5.461 1.890 0.147 0.338 1.000 0.500 CA 1.228 7 residues pruned to eliminate duplicates Z: 21 21.216 2.097 0.650 0.605 0.900 0.800 CA 1.379 21 residues pruned to eliminate duplicates Z: 34 30.870 2.064 0.584 0.636 1.000 0.636 CA 1.447 34 residues pruned to eliminate duplicates Z: 41 34.720 2.020 0.726 0.689 0.975 0.625 CA 1.358 41 residues pruned to eliminate duplicates Z: 36 30.143 2.063 0.587 0.595 0.943 0.686 CA 1.507 36 residues pruned to eliminate duplicates Z: 26 26.934 2.025 0.691 0.703 1.000 0.800 CA 1.309 26 residues pruned to eliminate duplicates Z: 35 28.258 2.006 0.624 0.626 0.941 0.588 CB 1.404 35 residues pruned to eliminate duplicates Z: 18 16.641 1.930 0.465 0.609 0.941 0.588 CA 1.368 18 residues pruned to eliminate duplicates Z: 33 32.485 2.067 0.676 0.657 0.938 0.656 CA 1.528 33 residues pruned to eliminate duplicates Z: 45 34.406 1.983 0.697 0.623 0.932 0.659 CA 1.474 45 residues pruned to eliminate duplicates Z: 33 24.941 1.973 0.542 0.649 0.969 0.625 CA 1.302 33 residues pruned to eliminate duplicates Z: 35 26.919 2.043 0.539 0.622 0.941 0.588 CA 1.391 35 residues pruned to eliminate duplicates Z: 41 34.267 2.035 0.610 0.709 0.975 0.625 CA 1.402 41 residues pruned to eliminate duplicates Z: 43 40.030 2.029 0.826 0.666 0.976 0.571 CA 1.465 43 residues pruned to eliminate duplicates Z: 34 32.521 2.079 0.639 0.670 0.970 0.636 CA 1.464 34 residues pruned to eliminate duplicates Z: 36 29.937 2.063 0.605 0.600 0.943 0.600 CA 1.474 36 residues pruned to eliminate duplicates Z: 45 37.593 2.012 0.693 0.634 0.955 0.545 CA 1.537 11 residues pruned to eliminate duplicates Z: 19 33.920 2.104 0.744 0.923 1.000 0.778 CA 1.532 19 residues pruned to eliminate duplicates Z: 35 29.079 2.076 0.534 0.624 0.971 0.647 CA 1.436 35 residues pruned to eliminate duplicates Z: 39 30.219 1.997 0.621 0.600 0.974 0.553 CA 1.414 39 residues pruned to eliminate duplicates Z: 44 34.232 2.003 0.623 0.666 0.977 0.628 CA 1.411 44 residues pruned to eliminate duplicates Z: 37 36.256 2.015 0.663 0.682 1.000 0.528 CA 1.526 37 residues pruned to eliminate duplicates Z: 33 28.877 2.078 0.627 0.662 0.906 0.719 CA 1.433 36 residues pruned to eliminate duplicates Z: 11 16.828 1.984 0.527 0.790 0.900 0.300 CA 1.513 Z: 12 18.350 1.948 0.566 0.790 1.000 0.364 CA 1.405 23 residues pruned to eliminate duplicates Z: 43 34.987 2.034 0.640 0.660 0.976 0.571 CA 1.429 43 residues pruned to eliminate duplicates Z: 42 33.277 2.053 0.635 0.692 0.902 0.488 CA 1.440 42 residues pruned to eliminate duplicates Z: 11 22.415 1.928 0.720 0.925 1.000 0.300 CA 1.500 11 residues pruned to eliminate duplicates Z: 10 18.179 2.037 0.775 0.814 0.889 0.222 CA 1.435 10 residues pruned to eliminate duplicates Z: 12 15.685 2.026 0.478 0.655 0.909 0.364 CB 1.504 12 residues pruned to eliminate duplicates Z: 26 22.258 1.970 0.699 0.531 0.920 0.600 CA 1.402 13 residues pruned to eliminate duplicates Z: 10 14.567 1.896 0.579 0.760 1.000 0.444 CB 1.287 10 residues pruned to eliminate duplicates Z: 14 20.969 1.918 1.017 0.645 0.923 0.385 CA 1.422 14 residues pruned to eliminate duplicates Z: 12 13.111 2.045 0.534 0.613 0.727 0.364 CA 1.557 12 residues pruned to eliminate duplicates Z: 13 12.490 1.979 0.572 0.622 0.750 0.500 CA 1.377 13 residues pruned to eliminate duplicates Z: 31 18.210 1.962 0.631 0.318 0.867 0.533 CB 1.466 31 residues pruned to eliminate duplicates Z: 34 19.521 1.961 0.372 0.398 0.939 0.485 CA 1.497 34 residues pruned to eliminate duplicates Z: 27 15.305 1.945 0.510 0.434 0.769 0.423 CB 1.423 27 residues pruned to eliminate duplicates Z: 63 38.649 2.064 0.618 0.558 0.919 0.468 CA 1.511 65 residues pruned to eliminate duplicates Z: 6 5.821 1.740 0.391 0.510 0.800 0.200 CA 1.331 Z: 7 3.649 1.590 0.506 0.275 0.833 0.333 CA 0.964 13 residues pruned to eliminate duplicates Z: 73 38.520 2.027 0.584 0.571 0.931 0.486 CA 1.418 73 residues pruned to eliminate duplicates Z: 30 19.951 2.002 0.486 0.368 0.966 0.448 CB 1.485 30 residues pruned to eliminate duplicates Z: 18 13.690 2.020 0.542 0.329 0.824 0.471 CA 1.562 17 residues pruned to eliminate duplicates Z: 7 5.999 1.250 1.206 0.448 1.000 0.333 N 0.936 7 residues pruned to eliminate duplicates Z: 38 22.998 2.023 0.394 0.473 0.892 0.459 CB 1.546 38 residues pruned to eliminate duplicates Z: 79 32.139 1.926 0.588 0.469 0.872 0.410 CA 1.409 79 residues pruned to eliminate duplicates Z: 31 17.841 2.014 0.421 0.374 0.867 0.467 CA 1.502 31 residues pruned to eliminate duplicates Z: 28 14.854 1.925 0.476 0.383 0.778 0.407 CA 1.465 38 residues pruned to eliminate duplicates Z: 25 18.945 2.006 0.623 0.469 0.875 0.500 CA 1.401 25 residues pruned to eliminate duplicates Z: 26 18.591 2.006 0.592 0.467 0.880 0.520 CA 1.368 15 residues pruned to eliminate duplicates Z: 12 10.308 1.972 0.409 0.547 0.818 0.636 CA 1.307 12 residues pruned to eliminate duplicates Z: 23 17.738 1.997 0.407 0.496 0.864 0.591 CA 1.565 23 residues pruned to eliminate duplicates Z: 24 18.426 2.044 0.403 0.416 0.913 0.435 CA 1.602 24 residues pruned to eliminate duplicates Z: 19 14.558 2.012 0.522 0.350 0.889 0.500 CB 1.483 19 residues pruned to eliminate duplicates Z: 49 19.060 1.970 0.560 0.313 0.896 0.479 CB 1.228 49 residues pruned to eliminate duplicates Z: 7 7.268 1.861 0.616 0.500 0.833 0.667 CA 1.184 7 residues pruned to eliminate duplicates Z: 20 16.534 1.961 0.506 0.332 1.000 0.474 CB 1.544 19 residues pruned to eliminate duplicates Z: 6 5.226 1.490 0.432 0.434 1.000 0.800 CB 1.173 6 residues pruned to eliminate duplicates Z: 20 15.202 1.943 0.520 0.332 0.947 0.526 CB 1.498 20 residues pruned to eliminate duplicates Z: 21 13.764 1.892 0.514 0.315 0.950 0.500 CB 1.387 21 residues pruned to eliminate duplicates Z: 21 13.734 1.913 0.474 0.322 0.900 0.550 CB 1.473 21 residues pruned to eliminate duplicates Z: 20 14.613 1.957 0.530 0.336 0.947 0.526 CB 1.413 20 residues pruned to eliminate duplicates Z: 22 15.095 1.858 0.511 0.364 0.905 0.476 CB 1.501 22 residues pruned to eliminate duplicates Z: 20 16.674 1.951 0.534 0.369 0.947 0.421 CB 1.553 19 residues pruned to eliminate duplicates Z: 6 4.222 1.515 0.413 0.383 1.000 0.600 O 0.999 6 residues pruned to eliminate duplicates Z: 19 12.123 1.955 0.377 0.336 0.944 0.444 CB 1.344 19 residues pruned to eliminate duplicates Z: 21 12.221 1.919 0.416 0.345 0.950 0.550 CB 1.252 21 residues pruned to eliminate duplicates Z: 19 12.073 1.985 0.396 0.380 0.889 0.667 CB 1.313 19 residues pruned to eliminate duplicates Z: 18 10.819 1.924 0.312 0.333 1.000 0.765 CB 1.248 18 residues pruned to eliminate duplicates Z: 19 12.601 1.975 0.237 0.395 1.000 0.556 CA 1.358 19 residues pruned to eliminate duplicates Z: 15 13.732 1.993 0.537 0.441 1.000 0.643 CB 1.273 15 residues pruned to eliminate duplicates Z: 20 11.745 1.910 0.458 0.375 0.947 0.526 CB 1.167 20 residues pruned to eliminate duplicates Z: 22 12.741 1.886 0.463 0.435 0.857 0.381 CB 1.257 22 residues pruned to eliminate duplicates Z: 19 12.804 1.940 0.439 0.404 0.944 0.778 CA 1.266 19 residues pruned to eliminate duplicates Z: 14 10.671 2.004 0.217 0.499 0.923 0.615 CB 1.316 14 residues pruned to eliminate duplicates Z: 20 10.374 1.869 0.248 0.329 0.947 0.579 CB 1.298 20 residues pruned to eliminate duplicates Z: 19 9.562 1.885 0.171 0.329 0.944 0.556 CA 1.304 19 residues pruned to eliminate duplicates Z: 29 17.725 1.988 0.648 0.457 0.857 0.607 CB 1.247 29 residues pruned to eliminate duplicates Z: 30 15.562 1.998 0.556 0.415 0.862 0.517 CB 1.179 30 residues pruned to eliminate duplicates Z: 31 20.128 1.995 0.713 0.439 0.933 0.500 CB 1.227 31 residues pruned to eliminate duplicates Z: 30 18.801 1.976 0.595 0.450 0.966 0.517 CB 1.208 30 residues pruned to eliminate duplicates Z: 28 23.388 2.059 0.694 0.501 0.963 0.556 CB 1.338 28 residues pruned to eliminate duplicates Z: 26 21.108 1.999 0.761 0.484 1.000 0.520 CB 1.219 26 residues pruned to eliminate duplicates Z: 24 19.113 2.034 0.619 0.497 0.913 0.522 CA 1.330 24 residues pruned to eliminate duplicates Z: 17 17.489 2.022 1.003 0.470 0.938 0.625 CB 1.187 17 residues pruned to eliminate duplicates Z: 25 19.385 2.045 0.673 0.489 0.958 0.583 CB 1.221 25 residues pruned to eliminate duplicates Z: 31 19.777 1.998 0.807 0.428 0.900 0.533 CB 1.198 31 residues pruned to eliminate duplicates Z: 28 21.754 2.056 0.850 0.474 0.852 0.519 CB 1.327 28 residues pruned to eliminate duplicates Z: 18 16.346 2.012 0.778 0.436 0.941 0.529 CB 1.258 18 residues pruned to eliminate duplicates Z: 24 21.705 2.050 0.713 0.533 0.957 0.565 CB 1.305 24 residues pruned to eliminate duplicates Z: 57 36.601 2.017 0.783 0.542 0.911 0.411 CB 1.433 57 residues pruned to eliminate duplicates Z: 25 17.809 1.940 0.818 0.490 0.917 0.500 CB 1.136 25 residues pruned to eliminate duplicates Z: 29 19.643 1.995 0.652 0.492 0.929 0.607 CB 1.223 29 residues pruned to eliminate duplicates Z: 27 25.458 2.110 0.685 0.543 0.962 0.654 CA 1.400 27 residues pruned to eliminate duplicates Z: 25 17.554 1.986 0.717 0.490 0.917 0.542 CB 1.159 25 residues pruned to eliminate duplicates Z: 30 17.365 2.011 0.704 0.433 0.897 0.552 CB 1.125 30 residues pruned to eliminate duplicates Z: 12 17.330 2.140 0.718 0.535 1.000 0.818 CB 1.373 12 residues pruned to eliminate duplicates Z: 6 3.836 1.603 0.281 0.266 1.000 0.800 CB 1.091 6 residues pruned to eliminate duplicates Z: 34 17.312 1.969 0.501 0.330 0.818 0.303 CA 1.503 34 residues pruned to eliminate duplicates Z: 18 14.999 2.003 0.531 0.357 0.941 0.353 CA 1.471 18 residues pruned to eliminate duplicates Z: 20 17.726 1.996 0.581 0.434 0.947 0.368 CB 1.456 20 residues pruned to eliminate duplicates Z: 30 17.680 2.013 0.407 0.354 0.897 0.379 CA 1.513 30 residues pruned to eliminate duplicates Z: 20 15.827 2.008 0.450 0.406 0.895 0.632 CB 1.539 20 residues pruned to eliminate duplicates Z: 6 3.250 1.820 0.198 0.244 0.800 0.200 CA 1.120 6 residues pruned to eliminate duplicates Z: 19 15.137 2.000 0.453 0.364 0.944 0.611 CB 1.505 19 residues pruned to eliminate duplicates Z: 8 8.240 1.602 0.758 0.532 0.857 0.857 CA 1.250 8 residues pruned to eliminate duplicates Z: 20 9.238 1.892 0.275 0.346 0.737 0.368 CB 1.409 20 residues pruned to eliminate duplicates Z: 26 13.068 2.039 0.212 0.346 0.800 0.280 CA 1.563 26 residues pruned to eliminate duplicates Z: 14 11.027 1.944 0.542 0.423 0.846 0.692 CA 1.306 14 residues pruned to eliminate duplicates Z: 13 10.100 2.111 0.370 0.386 0.833 0.750 CB 1.366 13 residues pruned to eliminate duplicates Z: 35 17.159 1.990 0.398 0.368 0.882 0.500 CB 1.380 35 residues pruned to eliminate duplicates Z: 19 10.281 1.999 0.304 0.313 0.889 0.389 CB 1.286 19 residues pruned to eliminate duplicates Z: 17 8.291 2.015 0.194 0.298 0.812 0.375 CB 1.329 17 residues pruned to eliminate duplicates Z: 36 17.581 2.012 0.436 0.377 0.857 0.429 CB 1.368 36 residues pruned to eliminate duplicates Z: 18 8.674 2.037 0.485 0.301 0.765 0.294 CB 1.135 18 residues pruned to eliminate duplicates Z: 22 8.018 1.983 0.396 0.236 0.762 0.381 CB 1.127 22 residues pruned to eliminate duplicates Z: 22 5.836 1.749 0.267 0.163 0.762 0.381 CA 1.137 22 residues pruned to eliminate duplicates Z: 48 18.477 2.045 0.477 0.317 0.830 0.426 CB 1.317 48 residues pruned to eliminate duplicates Z: 8 7.599 2.107 0.460 0.221 0.857 0.429 CA 1.512 8 residues pruned to eliminate duplicates Z: 21 9.004 2.000 0.574 0.154 0.750 0.300 CB 1.305 21 residues pruned to eliminate duplicates Z: 55 21.129 2.027 0.491 0.308 0.833 0.444 CB 1.413 55 residues pruned to eliminate duplicates Z: 15 5.174 2.055 0.247 0.119 0.857 0.214 CB 1.017 15 residues pruned to eliminate duplicates Z: 25 7.939 1.847 0.556 0.205 0.667 0.292 CB 1.200 25 residues pruned to eliminate duplicates Z: 22 7.672 1.926 0.393 0.235 0.714 0.238 CB 1.188 22 residues pruned to eliminate duplicates Z: 37 12.756 2.044 0.380 0.261 0.778 0.333 CB 1.273 37 residues pruned to eliminate duplicates Z: 38 20.248 2.118 0.812 0.234 0.811 0.324 CB 1.456 56 residues pruned to eliminate duplicates Z: 6 2.110 1.625 0.553 0.172 0.600 0.400 CA 0.927 6 residues pruned to eliminate duplicates Z: 8 6.069 1.940 0.446 0.472 0.571 0.571 N 1.473 8 residues pruned to eliminate duplicates Z: 6 2.761 1.581 0.185 0.258 0.800 0.400 CA 1.087 6 residues pruned to eliminate duplicates Z: 25 20.548 2.015 0.212 0.742 0.958 0.917 CB 1.444 25 residues pruned to eliminate duplicates Z: 21 30.105 2.178 0.483 0.714 1.000 0.900 CB 1.716 21 residues pruned to eliminate duplicates Z: 27 26.915 2.002 0.597 0.641 0.923 0.731 CB 1.567 27 residues pruned to eliminate duplicates Z: 30 17.751 1.926 0.425 0.557 0.793 0.586 CB 1.432 30 residues pruned to eliminate duplicates Z: 46 35.816 2.210 0.639 0.431 0.956 0.667 CA 1.657 46 residues pruned to eliminate duplicates Z: 42 25.958 1.933 0.467 0.593 0.902 0.683 CB 1.449 42 residues pruned to eliminate duplicates Z: 22 28.163 2.194 0.421 0.669 1.000 0.857 CB 1.686 22 residues pruned to eliminate duplicates Z: 26 24.381 2.061 0.364 0.579 0.920 0.640 CB 1.747 26 residues pruned to eliminate duplicates Z: 46 33.669 2.190 0.674 0.422 0.911 0.644 CB 1.630 46 residues pruned to eliminate duplicates Z: 20 21.365 2.114 0.399 0.700 0.947 0.789 CB 1.459 20 residues pruned to eliminate duplicates Z: 27 20.319 2.039 0.349 0.556 0.846 0.615 CA 1.622 27 residues pruned to eliminate duplicates Z: 22 26.190 2.180 0.355 0.692 0.952 0.762 CB 1.704 22 residues pruned to eliminate duplicates Z: 25 24.278 2.091 0.380 0.727 0.958 0.750 CB 1.461 25 residues pruned to eliminate duplicates Z: 24 16.328 1.977 0.367 0.456 0.913 0.565 CB 1.444 24 residues pruned to eliminate duplicates Z: 21 28.203 2.209 0.401 0.683 1.000 0.850 CB 1.722 21 residues pruned to eliminate duplicates Z: 26 27.598 2.028 0.583 0.696 0.960 0.720 CB 1.498 26 residues pruned to eliminate duplicates Z: 29 24.616 1.987 0.650 0.591 0.929 0.643 CB 1.401 29 residues pruned to eliminate duplicates Z: 52 31.449 2.092 0.659 0.501 0.843 0.627 CB 1.504 52 residues pruned to eliminate duplicates Z: 33 24.022 2.179 0.583 0.418 0.938 0.594 CB 1.430 22 residues pruned to eliminate duplicates Z: 16 24.174 2.241 0.781 0.685 0.933 0.533 CB 1.414 16 residues pruned to eliminate duplicates Z: 54 40.153 2.158 0.672 0.490 0.981 0.679 CB 1.572 49 residues pruned to eliminate duplicates Z: 56 37.615 2.137 0.757 0.461 0.927 0.527 CB 1.516 56 residues pruned to eliminate duplicates Z: 46 23.233 1.995 0.665 0.382 0.844 0.467 CB 1.400 46 residues pruned to eliminate duplicates Z: 53 33.669 2.105 0.704 0.506 0.885 0.577 CB 1.462 53 residues pruned to eliminate duplicates Z: 27 25.449 2.231 0.796 0.432 0.923 0.577 CB 1.448 27 residues pruned to eliminate duplicates Z: 34 23.475 2.149 0.673 0.396 0.848 0.515 CB 1.496 34 residues pruned to eliminate duplicates Z: 41 18.903 2.041 0.593 0.409 0.775 0.375 CB 1.306 41 residues pruned to eliminate duplicates Z: 38 22.625 2.120 0.577 0.415 0.811 0.378 CB 1.499 38 residues pruned to eliminate duplicates Z: 29 20.773 2.161 0.738 0.364 0.786 0.357 CB 1.539 29 residues pruned to eliminate duplicates Z: 34 21.953 2.151 0.604 0.366 0.879 0.545 CB 1.456 34 residues pruned to eliminate duplicates Z: 59 32.227 2.119 0.613 0.430 0.845 0.534 CB 1.575 59 residues pruned to eliminate duplicates Z: 28 22.520 2.217 0.705 0.376 0.852 0.444 CB 1.537 28 residues pruned to eliminate duplicates Z: 28 22.864 2.207 0.748 0.394 0.889 0.630 CB 1.436 28 residues pruned to eliminate duplicates Z: 73 37.775 2.067 0.758 0.468 0.875 0.611 CB 1.446 73 residues pruned to eliminate duplicates Z: 36 19.427 2.047 0.688 0.307 0.829 0.486 CB 1.422 36 residues pruned to eliminate duplicates Z: 39 27.440 2.096 0.725 0.445 0.868 0.526 CB 1.500 39 residues pruned to eliminate duplicates Z: 26 25.814 2.254 0.917 0.415 0.840 0.640 CB 1.555 26 residues pruned to eliminate duplicates Z: 36 25.489 2.165 0.635 0.444 0.857 0.543 CB 1.505 36 residues pruned to eliminate duplicates Z: 25 18.014 2.114 0.690 0.391 0.792 0.417 CB 1.460 25 residues pruned to eliminate duplicates Z: 24 21.346 2.065 0.705 0.395 0.913 0.565 CB 1.546 24 residues pruned to eliminate duplicates Z: 61 25.789 1.977 0.549 0.419 0.833 0.500 CB 1.420 61 residues pruned to eliminate duplicates Z: 22 18.572 2.166 0.604 0.457 0.857 0.524 CB 1.421 22 residues pruned to eliminate duplicates Z: 24 19.378 2.194 0.851 0.273 0.826 0.522 CA 1.558 24 residues pruned to eliminate duplicates Z: 48 32.777 2.153 0.635 0.402 0.915 0.617 CB 1.645 48 residues pruned to eliminate duplicates Z: 19 19.688 2.101 0.642 0.476 0.889 0.500 CB 1.550 19 residues pruned to eliminate duplicates Z: 35 20.994 2.138 0.678 0.390 0.765 0.382 CB 1.475 35 residues pruned to eliminate duplicates Z: 55 38.688 2.181 0.684 0.472 0.926 0.593 CB 1.593 55 residues pruned to eliminate duplicates Z: 29 21.244 2.221 0.678 0.374 0.857 0.429 CB 1.439 29 residues pruned to eliminate duplicates Z: 8 3.075 1.508 0.383 0.155 0.857 0.429 CB 0.992 8 residues pruned to eliminate duplicates Z: 7 2.630 1.568 0.560 0.083 0.667 0.333 CB 1.128 8 residues pruned to eliminate duplicates Z: 7 7.666 1.753 0.793 0.345 0.833 0.500 CA 1.415 11 residues pruned to eliminate duplicates Z: 6 3.335 1.711 0.322 0.404 0.800 0.600 CA 0.912 6 residues pruned to eliminate duplicates Z: 11 6.468 1.996 0.479 0.332 0.700 0.600 CB 1.191 10 residues pruned to eliminate duplicates Z: 6 3.229 1.641 0.190 0.292 0.800 0.400 CA 1.167 6 residues pruned to eliminate duplicates Z: 24 10.074 1.869 0.558 0.356 0.783 0.435 CB 1.076 18 residues pruned to eliminate duplicates Z: 9 8.949 1.744 0.753 0.536 0.875 0.625 CB 1.142 9 residues pruned to eliminate duplicates Z: 18 11.600 1.919 0.599 0.421 0.824 0.588 CB 1.208 17 residues pruned to eliminate duplicates Z: 6 4.144 1.717 0.430 0.409 0.800 0.400 CA 1.038 6 residues pruned to eliminate duplicates Z: 22 15.416 2.040 0.580 0.339 0.905 0.429 CB 1.374 22 residues pruned to eliminate duplicates Z: 33 17.313 2.014 0.596 0.358 0.844 0.594 CB 1.316 35 residues pruned to eliminate duplicates Z: 8 10.184 1.851 0.805 0.470 0.857 0.429 CA 1.386 8 residues pruned to eliminate duplicates Z: 16 11.288 1.934 0.479 0.399 0.867 0.600 CB 1.308 16 residues pruned to eliminate duplicates Z: 33 14.889 2.026 0.450 0.349 0.844 0.500 CB 1.251 33 residues pruned to eliminate duplicates Z: 29 12.089 2.037 0.358 0.315 0.786 0.500 CB 1.289 29 residues pruned to eliminate duplicates Z: 29 17.113 2.057 0.564 0.339 0.893 0.464 CB 1.341 29 residues pruned to eliminate duplicates Z: 31 12.545 1.995 0.447 0.323 0.767 0.433 CB 1.258 31 residues pruned to eliminate duplicates Z: 14 5.562 2.047 0.190 0.343 0.615 0.308 CB 1.220 14 residues pruned to eliminate duplicates Z: 29 14.563 2.016 0.429 0.361 0.893 0.500 CB 1.242 29 residues pruned to eliminate duplicates Z: 28 13.331 2.051 0.439 0.379 0.778 0.519 CB 1.272 28 residues pruned to eliminate duplicates Z: 28 16.311 2.054 0.480 0.405 0.815 0.556 CB 1.401 28 residues pruned to eliminate duplicates Z: 27 13.326 2.079 0.328 0.370 0.846 0.538 CB 1.286 19 residues pruned to eliminate duplicates Z: 6 3.352 1.675 0.543 0.282 0.800 0.400 CB 0.926 6 residues pruned to eliminate duplicates Z: 21 8.681 1.889 0.384 0.197 0.850 0.300 CB 1.253 21 residues pruned to eliminate duplicates Z: 14 8.046 1.965 0.734 0.254 0.615 0.308 CA 1.411 14 residues pruned to eliminate duplicates Z: 33 12.606 1.994 0.506 0.300 0.750 0.438 CB 1.236 29 residues pruned to eliminate duplicates Z: 9 6.966 1.785 0.687 0.434 0.625 0.250 N 1.401 9 residues pruned to eliminate duplicates Z: 36 14.783 1.930 0.505 0.295 0.857 0.429 CB 1.263 36 residues pruned to eliminate duplicates Z: 53 33.868 2.114 0.692 0.505 0.904 0.635 CB 1.446 53 residues pruned to eliminate duplicates Z: 105 44.645 2.148 0.596 0.489 0.885 0.529 CB 1.460 105 residues pruned to eliminate duplicates Z: 56 40.057 2.226 0.521 0.592 0.945 0.545 CB 1.545 56 residues pruned to eliminate duplicates Z: 39 24.865 2.068 0.547 0.506 0.947 0.632 CB 1.323 39 residues pruned to eliminate duplicates Z: 72 36.058 2.121 0.581 0.471 0.901 0.549 CB 1.458 72 residues pruned to eliminate duplicates Z: 37 34.402 2.174 0.579 0.668 0.972 0.750 CA 1.471 37 residues pruned to eliminate duplicates Z: 80 43.241 2.157 0.617 0.539 0.886 0.582 CB 1.515 80 residues pruned to eliminate duplicates Z: 82 37.357 2.164 0.463 0.487 0.914 0.531 CB 1.453 82 residues pruned to eliminate duplicates Z: 107 42.356 2.139 0.479 0.475 0.915 0.538 CB 1.457 107 residues pruned to eliminate duplicates Z: 66 34.177 2.117 0.575 0.499 0.877 0.523 CB 1.452 66 residues pruned to eliminate duplicates Z: 49 36.126 2.176 0.530 0.573 0.917 0.542 CB 1.592 49 residues pruned to eliminate duplicates Z: 59 39.685 2.207 0.582 0.580 0.931 0.621 CB 1.485 59 residues pruned to eliminate duplicates Z: 86 40.192 2.172 0.554 0.479 0.906 0.482 CB 1.456 86 residues pruned to eliminate duplicates Z: 71 36.570 2.180 0.525 0.495 0.914 0.486 CB 1.445 71 residues pruned to eliminate duplicates Z: 107 44.897 2.147 0.557 0.459 0.915 0.500 CB 1.486 107 residues pruned to eliminate duplicates Z: 22 40.580 2.250 0.801 0.933 1.000 0.619 CB 1.525 22 residues pruned to eliminate duplicates Z: 46 39.443 2.183 0.592 0.643 0.956 0.622 CA 1.548 46 residues pruned to eliminate duplicates Z: 53 39.524 2.222 0.557 0.598 0.923 0.481 CB 1.563 53 residues pruned to eliminate duplicates Z: 73 43.492 2.172 0.633 0.554 0.917 0.583 CB 1.495 73 residues pruned to eliminate duplicates Z: 59 34.343 2.187 0.553 0.540 0.845 0.466 CB 1.511 59 residues pruned to eliminate duplicates Z: 69 42.588 2.187 0.593 0.554 0.926 0.500 CB 1.517 69 residues pruned to eliminate duplicates Z: 43 37.843 2.166 0.673 0.590 0.929 0.571 CB 1.592 43 residues pruned to eliminate duplicates Z: 71 40.515 2.194 0.589 0.519 0.929 0.514 CB 1.468 71 residues pruned to eliminate duplicates Z: 66 34.306 2.134 0.565 0.469 0.908 0.508 CB 1.450 66 residues pruned to eliminate duplicates Z: 36 42.047 2.212 0.732 0.674 1.000 0.571 CB 1.580 36 residues pruned to eliminate duplicates Z: 72 43.020 2.193 0.692 0.513 0.915 0.577 CB 1.484 72 residues pruned to eliminate duplicates Z: 51 42.807 2.275 0.615 0.609 0.940 0.540 CB 1.581 51 residues pruned to eliminate duplicates Z: 102 46.398 2.165 0.614 0.495 0.891 0.525 CB 1.490 102 residues pruned to eliminate duplicates Z: 36 41.120 2.218 0.690 0.658 1.000 0.543 CB 1.601 36 residues pruned to eliminate duplicates Z: 45 40.974 2.209 0.797 0.563 0.932 0.614 CB 1.571 45 residues pruned to eliminate duplicates Z: 103 40.574 2.131 0.538 0.452 0.902 0.500 CB 1.428 103 residues pruned to eliminate duplicates Z: 63 39.610 2.148 0.651 0.565 0.935 0.532 CB 1.424 63 residues pruned to eliminate duplicates Z: 62 42.663 2.208 0.567 0.601 0.934 0.672 CB 1.534 41 residues pruned to eliminate duplicates Z: 8 10.082 2.180 0.079 0.718 0.857 0.857 CB 1.551 8 residues pruned to eliminate duplicates Z: 34 42.866 2.288 0.751 0.726 0.970 0.727 CB 1.566 22 residues pruned to eliminate duplicates Z: 30 17.241 2.175 0.512 0.429 0.793 0.448 CB 1.322 11 residues pruned to eliminate duplicates Z: 10 9.443 2.108 -0.066 0.848 0.889 0.778 CB 1.334 10 residues pruned to eliminate duplicates Z: 40 47.273 2.249 0.730 0.705 1.000 0.538 CB 1.615 40 residues pruned to eliminate duplicates Z: 10 8.846 1.953 0.086 0.696 0.889 0.778 CA 1.308 10 residues pruned to eliminate duplicates Z: 30 25.773 2.258 0.638 0.474 0.931 0.448 CB 1.428 30 residues pruned to eliminate duplicates Z: 85 43.426 2.154 0.612 0.495 0.929 0.536 CB 1.477 85 residues pruned to eliminate duplicates Z: 62 43.387 2.209 0.636 0.559 0.934 0.590 CB 1.553 62 residues pruned to eliminate duplicates Z: 51 42.683 2.193 0.600 0.623 1.000 0.460 CB 1.532 51 residues pruned to eliminate duplicates Z: 60 48.238 2.223 0.758 0.585 0.966 0.559 CB 1.533 60 residues pruned to eliminate duplicates Z: 74 49.832 2.215 0.705 0.564 0.945 0.521 CB 1.536 65 residues pruned to eliminate duplicates Z: 6 5.885 1.809 0.606 0.381 1.000 0.600 CA 1.028 6 residues pruned to eliminate duplicates Z: 20 14.177 2.145 0.560 0.412 0.789 0.368 CB 1.349 20 residues pruned to eliminate duplicates Z: 21 10.468 2.038 0.516 0.446 0.700 0.300 CB 1.144 21 residues pruned to eliminate duplicates Z: 32 23.457 2.089 0.665 0.501 0.935 0.484 CB 1.294 32 residues pruned to eliminate duplicates Z: 21 22.192 2.234 0.952 0.341 0.950 0.450 CB 1.424 21 residues pruned to eliminate duplicates Z: 31 22.352 2.065 0.682 0.434 0.900 0.433 CB 1.398 31 residues pruned to eliminate duplicates Z: 25 18.742 2.084 0.523 0.500 0.917 0.458 CB 1.314 25 residues pruned to eliminate duplicates Z: 12 14.562 2.243 1.016 0.359 0.818 0.545 CB 1.381 12 residues pruned to eliminate duplicates Z: 59 38.812 2.150 0.734 0.512 0.931 0.569 CB 1.450 59 residues pruned to eliminate duplicates Z: 21 15.619 2.001 0.755 0.402 0.900 0.500 CB 1.226 21 residues pruned to eliminate duplicates Z: 32 25.895 2.154 0.673 0.492 0.935 0.548 CB 1.390 32 residues pruned to eliminate duplicates Z: 30 28.281 2.202 0.776 0.486 0.931 0.552 CB 1.463 30 residues pruned to eliminate duplicates Z: 18 15.185 2.049 0.635 0.425 0.824 0.706 CB 1.443 18 residues pruned to eliminate duplicates Z: 19 20.360 2.241 0.808 0.350 0.889 0.611 CB 1.568 19 residues pruned to eliminate duplicates Z: 40 28.401 2.170 0.620 0.451 0.897 0.564 CA 1.516 40 residues pruned to eliminate duplicates Z: 31 21.627 2.092 0.653 0.386 0.867 0.400 CB 1.487 29 residues pruned to eliminate duplicates Z: 10 14.033 1.736 0.579 0.782 1.000 0.333 CA 1.331 10 residues pruned to eliminate duplicates Z: 13 19.414 2.075 0.448 0.592 1.000 0.500 CB 1.709 13 residues pruned to eliminate duplicates Z: 21 21.142 2.060 0.713 0.484 0.850 0.650 CA 1.601 21 residues pruned to eliminate duplicates Z: 22 20.041 2.043 0.591 0.485 0.905 0.571 CB 1.510 22 residues pruned to eliminate duplicates Z: 14 16.884 1.988 0.368 0.551 1.000 0.462 CB 1.638 14 residues pruned to eliminate duplicates Z: 14 19.122 2.006 0.539 0.568 1.000 0.462 CA 1.609 14 residues pruned to eliminate duplicates Z: 36 18.277 1.971 0.686 0.406 0.857 0.486 CB 1.197 36 residues pruned to eliminate duplicates Z: 7 2.534 1.823 0.643 0.589 0.333 0.167 CA 0.952 7 residues pruned to eliminate duplicates 6 1.796 1.820 0.591 0.396 0.400 0.200 CB 0.773 ? Z: 11 7.108 1.789 0.302 0.418 0.900 0.400 CB 1.168 11 residues pruned to eliminate duplicates Z: 11 7.352 1.766 0.600 0.439 0.900 0.300 CA 0.974 13 residues pruned to eliminate duplicates Z: 9 6.628 1.865 0.468 0.333 0.750 0.500 CB 1.370 9 residues pruned to eliminate duplicates Z: 36 19.555 1.937 0.596 0.392 0.829 0.571 CA 1.446 36 residues pruned to eliminate duplicates Z: 26 16.762 1.955 0.521 0.400 0.880 0.640 CA 1.424 26 residues pruned to eliminate duplicates Z: 24 14.837 2.002 0.408 0.355 0.913 0.609 CB 1.406 24 residues pruned to eliminate duplicates Z: 26 14.339 1.964 0.472 0.322 0.880 0.520 CA 1.371 26 residues pruned to eliminate duplicates Z: 35 17.744 1.959 0.508 0.349 0.882 0.471 CB 1.375 35 residues pruned to eliminate duplicates Z: 43 17.358 1.945 0.427 0.317 0.833 0.548 CB 1.419 43 residues pruned to eliminate duplicates Z: 26 16.413 1.973 0.538 0.377 0.840 0.520 CA 1.468 26 residues pruned to eliminate duplicates Z: 27 15.443 1.969 0.498 0.333 0.846 0.538 CB 1.457 27 residues pruned to eliminate duplicates Z: 34 17.893 2.009 0.568 0.320 0.818 0.545 CB 1.474 34 residues pruned to eliminate duplicates Z: 26 16.072 2.001 0.574 0.323 0.880 0.560 CB 1.410 26 residues pruned to eliminate duplicates Z: 27 16.972 1.959 0.482 0.375 0.885 0.577 CB 1.481 27 residues pruned to eliminate duplicates Z: 26 13.814 1.967 0.534 0.318 0.800 0.600 CA 1.400 26 residues pruned to eliminate duplicates Z: 39 14.980 1.940 0.454 0.320 0.711 0.526 CB 1.480 39 residues pruned to eliminate duplicates Z: 26 14.970 1.982 0.555 0.313 0.840 0.600 CA 1.423 26 residues pruned to eliminate duplicates Z: 40 16.794 1.931 0.564 0.299 0.821 0.462 CB 1.358 40 residues pruned to eliminate duplicates Z: 28 13.974 1.936 0.408 0.307 0.852 0.519 CB 1.435 28 residues pruned to eliminate duplicates Z: 26 14.604 1.914 0.618 0.365 0.840 0.480 CA 1.297 26 residues pruned to eliminate duplicates Z: 45 18.975 1.925 0.587 0.318 0.818 0.523 CB 1.398 44 residues pruned to eliminate duplicates Z: 6 5.088 1.800 0.266 0.246 0.800 0.400 N 1.675 6 residues pruned to eliminate duplicates Z: 36 14.389 1.952 0.362 0.339 0.800 0.429 CB 1.362 36 residues pruned to eliminate duplicates Z: 29 27.953 2.002 0.757 0.649 0.893 0.571 CB 1.463 29 residues pruned to eliminate duplicates Z: 27 28.947 2.032 0.723 0.670 0.962 0.731 CB 1.441 27 residues pruned to eliminate duplicates Z: 62 40.207 2.037 0.680 0.589 0.902 0.574 CB 1.532 62 residues pruned to eliminate duplicates Z: 27 30.128 2.036 0.782 0.738 0.923 0.692 CB 1.425 27 residues pruned to eliminate duplicates Z: 62 45.285 2.050 0.746 0.618 0.951 0.541 CA 1.524 74 residues pruned to eliminate duplicates Z: 48 31.447 1.998 0.767 0.523 0.894 0.553 CA 1.421 22 residues pruned to eliminate duplicates Z: 20 28.576 2.038 0.715 0.911 0.947 0.684 CB 1.404 17 residues pruned to eliminate duplicates Z: 21 30.512 1.962 0.741 0.895 0.950 0.550 CB 1.507 21 residues pruned to eliminate duplicates Z: 20 20.662 2.011 0.581 0.895 0.789 0.421 CB 1.353 20 residues pruned to eliminate duplicates Z: 62 48.245 2.053 0.756 0.626 0.984 0.689 CA 1.546 62 residues pruned to eliminate duplicates Z: 63 44.609 2.040 0.764 0.615 0.919 0.597 CB 1.536 30 residues pruned to eliminate duplicates Z: 18 31.313 2.058 0.844 0.913 0.941 0.529 CB 1.504 18 residues pruned to eliminate duplicates Z: 36 31.343 1.984 0.752 0.622 0.857 0.514 CB 1.585 36 residues pruned to eliminate duplicates Z: 69 48.857 2.037 0.763 0.639 0.956 0.603 CB 1.515 70 residues pruned to eliminate duplicates Z: 17 18.003 1.836 0.506 0.769 1.000 0.812 CA 1.283 17 residues pruned to eliminate duplicates Z: 60 47.648 2.093 0.750 0.633 0.949 0.610 CB 1.575 60 residues pruned to eliminate duplicates Z: 64 35.567 2.009 0.501 0.589 0.952 0.635 CA 1.432 45 residues pruned to eliminate duplicates Z: 12 13.341 1.758 0.583 0.802 0.818 0.545 CA 1.357 12 residues pruned to eliminate duplicates Z: 38 23.459 1.929 0.590 0.511 0.946 0.649 CA 1.315 38 residues pruned to eliminate duplicates Z: 63 40.394 2.003 0.690 0.599 0.919 0.565 CB 1.500 63 residues pruned to eliminate duplicates Z: 37 26.431 2.006 0.762 0.496 0.889 0.667 CA 1.407 37 residues pruned to eliminate duplicates Z: 65 38.071 2.000 0.600 0.587 0.969 0.672 CA 1.412 53 residues pruned to eliminate duplicates Z: 11 20.670 1.818 0.769 0.910 1.000 0.600 CB 1.442 8 residues pruned to eliminate duplicates Z: 10 17.576 1.882 0.729 0.867 1.000 0.556 CA 1.316 Z: 28 24.463 1.994 0.920 0.482 0.852 0.444 CA 1.470 28 residues pruned to eliminate duplicates Z: 63 43.544 2.026 0.719 0.619 0.952 0.661 CB 1.492 63 residues pruned to eliminate duplicates Z: 64 34.696 1.981 0.671 0.558 0.873 0.556 CB 1.430 64 residues pruned to eliminate duplicates Z: 61 43.556 2.062 0.869 0.606 0.850 0.550 CB 1.552 61 residues pruned to eliminate duplicates Z: 49 42.318 1.993 0.811 0.701 0.958 0.542 CB 1.471 49 residues pruned to eliminate duplicates Z: 64 38.876 2.022 0.613 0.562 0.952 0.683 CA 1.484 64 residues pruned to eliminate duplicates Z: 37 28.145 2.002 0.810 0.486 0.944 0.583 CA 1.390 37 residues pruned to eliminate duplicates Z: 39 31.308 2.131 0.676 0.526 0.921 0.658 CA 1.504 51 residues pruned to eliminate duplicates Z: 7 6.574 1.835 0.496 0.282 0.833 0.500 CA 1.500 7 residues pruned to eliminate duplicates Z: 20 16.526 2.089 0.563 0.354 0.947 0.526 CA 1.435 20 residues pruned to eliminate duplicates Z: 19 16.929 2.114 0.471 0.425 0.944 0.611 CA 1.469 19 residues pruned to eliminate duplicates Z: 21 15.298 1.980 0.601 0.364 0.950 0.450 CB 1.314 21 residues pruned to eliminate duplicates Z: 19 13.694 2.060 0.436 0.347 0.944 0.500 CA 1.365 19 residues pruned to eliminate duplicates Z: 21 15.211 2.005 0.565 0.335 0.950 0.550 CA 1.366 21 residues pruned to eliminate duplicates Z: 21 16.753 2.034 0.818 0.361 0.950 0.500 CA 1.239 21 residues pruned to eliminate duplicates Z: 62 45.635 2.035 0.715 0.630 0.967 0.508 CB 1.532 62 residues pruned to eliminate duplicates Z: 46 29.084 2.040 0.405 0.568 0.956 0.711 CA 1.483 46 residues pruned to eliminate duplicates Z: 21 16.419 2.035 0.758 0.290 0.950 0.450 CA 1.368 21 residues pruned to eliminate duplicates Z: 61 38.075 2.019 0.562 0.571 0.967 0.683 CA 1.505 61 residues pruned to eliminate duplicates Z: 33 27.055 2.001 0.663 0.575 0.875 0.688 CB 1.529 33 residues pruned to eliminate duplicates Z: 48 30.870 2.020 0.545 0.555 0.936 0.723 CB 1.461 48 residues pruned to eliminate duplicates Z: 26 19.169 1.991 0.463 0.559 0.840 0.760 CA 1.480 26 residues pruned to eliminate duplicates Z: 31 26.845 2.012 0.514 0.614 0.933 0.767 CB 1.547 31 residues pruned to eliminate duplicates Z: 63 38.975 2.026 0.650 0.566 0.952 0.677 CA 1.460 45 residues pruned to eliminate duplicates Z: 6 4.936 1.669 0.629 0.442 0.800 0.400 N 1.077 Z: 18 22.955 1.969 0.549 0.812 1.000 0.941 CB 1.391 18 residues pruned to eliminate duplicates Z: 29 19.941 1.932 0.621 0.509 0.893 0.714 CB 1.335 29 residues pruned to eliminate duplicates Z: 61 35.361 2.029 0.597 0.561 0.917 0.633 CA 1.449 61 residues pruned to eliminate duplicates Z: 27 30.689 2.037 0.610 0.731 1.000 0.808 CB 1.491 27 residues pruned to eliminate duplicates Z: 47 25.601 1.930 0.635 0.519 0.913 0.587 CA 1.286 47 residues pruned to eliminate duplicates Z: 14 11.766 1.853 0.710 0.561 0.769 0.538 CA 1.261 Z: 9 11.205 1.773 0.405 0.837 1.000 0.750 CA 1.189 9 residues pruned to eliminate duplicates Z: 10 12.050 1.649 0.511 0.856 1.000 0.778 CA 1.189 10 residues pruned to eliminate duplicates Z: 18 13.455 1.774 0.706 0.555 0.824 0.412 CA 1.240 15 residues pruned to eliminate duplicates Z: 6 5.113 1.451 0.811 0.351 1.000 0.600 N 1.023 6 residues pruned to eliminate duplicates Z: 9 7.997 1.954 0.820 0.284 0.875 0.625 CA 1.159 7 residues pruned to eliminate duplicates 666 residues left after pruning, divided into chains as follows: A: 7 B: 42 C: 10 D: 13 E: 12 F: 9 G: 14 H: 8 I: 54 J: 59 K: 11 L: 20 M: 46 N: 51 O: 46 P: 7 Q: 20 R: 10 S: 33 T: 61 U: 10 V: 8 W: 40 X: 62 Y: 7 Z: 6 CC for partial structure against native data = 25.00 % ------------------------------------------------------------------------------ Global autotracing cycle 12 = 0.300, Contrast = 0.387, Connect. = 0.687 for dens.mod. cycle 1 = 0.300, Contrast = 0.446, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.531, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.540, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.545, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 0.550, Connect. = 0.758 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.760 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6576 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1297 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 22.219 2.110 0.799 0.560 0.895 0.579 CB 1.416 B: 12 23.922 2.171 0.584 0.859 1.000 0.818 CA 1.543 C: 17 20.899 2.079 0.371 0.920 1.000 0.938 CB 1.291 D: 22 22.900 2.248 0.740 0.436 0.905 0.619 CB 1.510 E: 21 37.281 2.272 0.581 0.875 1.000 0.850 CA 1.688 12 residues pruned to eliminate duplicates F: 19 16.474 1.966 0.136 0.908 1.000 0.778 CB 1.235 17 residues pruned to eliminate duplicates G: 22 34.968 2.265 0.446 0.929 1.000 0.905 CB 1.630 21 residues pruned to eliminate duplicates H: 18 23.202 1.992 0.731 0.899 0.941 0.765 CB 1.239 17 residues pruned to eliminate duplicates I: 22 36.248 2.231 0.485 0.915 1.000 0.952 CA 1.687 22 residues pruned to eliminate duplicates J: 9 16.376 1.953 0.668 0.843 1.000 0.875 CA 1.324 K: 8 14.162 1.854 0.801 0.745 1.000 0.857 CB 1.287 L: 23 32.723 2.151 0.651 0.901 0.955 0.773 CB 1.469 23 residues pruned to eliminate duplicates M: 28 22.838 2.207 0.566 0.470 0.926 0.519 CB 1.416 19 residues pruned to eliminate duplicates N: 9 10.069 1.686 0.633 0.842 0.875 0.375 CB 1.101 O: 18 29.619 2.102 0.625 0.922 1.000 0.647 CA 1.478 P: 22 38.019 2.228 0.610 0.905 1.000 0.857 CB 1.646 22 residues pruned to eliminate duplicates Q: 20 25.887 2.009 0.587 0.835 0.895 0.632 CA 1.560 20 residues pruned to eliminate duplicates R: 18 17.503 1.935 0.250 0.904 0.941 0.941 CB 1.329 S: 10 7.968 1.660 0.421 0.686 0.889 0.667 CA 1.069 T: 19 19.161 2.085 0.821 0.403 0.944 0.611 CB 1.395 U: 11 12.184 2.192 0.789 0.378 0.800 0.500 CA 1.399 11 residues pruned to eliminate duplicates V: 19 19.600 1.981 0.233 0.904 0.889 0.722 CB 1.515 18 residues pruned to eliminate duplicates W: 21 24.392 1.935 0.471 0.921 0.950 0.650 CB 1.419 19 residues pruned to eliminate duplicates X: 9 10.388 1.727 0.738 0.899 0.750 0.500 CB 1.166 9 residues pruned to eliminate duplicates Y: 22 30.040 2.210 0.340 0.901 1.000 0.810 CB 1.580 22 residues pruned to eliminate duplicates Z: 23 25.632 2.137 0.385 0.751 0.955 0.864 CB 1.547 17 residues pruned to eliminate duplicates Z: 22 40.901 2.197 0.894 0.886 1.000 0.714 CB 1.547 22 residues pruned to eliminate duplicates Z: 21 27.150 1.966 0.657 0.868 0.950 0.650 CA 1.433 21 residues pruned to eliminate duplicates Z: 11 19.626 1.954 0.719 0.890 1.000 0.800 CA 1.329 8 residues pruned to eliminate duplicates Z: 9 10.550 1.785 0.296 0.840 0.875 0.500 CA 1.375 9 residues pruned to eliminate duplicates Z: 8 11.989 1.831 0.597 0.790 1.000 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 18 21.353 2.036 0.411 0.864 0.941 0.765 CA 1.404 18 residues pruned to eliminate duplicates Z: 23 26.398 2.085 0.341 0.871 0.955 0.682 CA 1.539 23 residues pruned to eliminate duplicates Z: 10 11.566 1.830 0.728 0.629 0.778 0.667 CA 1.388 Z: 18 24.493 2.046 0.443 0.904 1.000 0.824 CA 1.433 18 residues pruned to eliminate duplicates Z: 20 21.732 1.938 0.346 0.915 1.000 0.947 CA 1.351 20 residues pruned to eliminate duplicates Z: 36 26.146 1.908 0.871 0.650 0.800 0.400 CA 1.345 26 residues pruned to eliminate duplicates Z: 64 32.600 2.125 0.610 0.442 0.873 0.540 CB 1.459 40 residues pruned to eliminate duplicates Z: 10 23.077 1.871 1.090 0.919 1.000 0.556 CA 1.386 Z: 10 13.573 1.851 0.537 0.834 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 12 18.689 2.088 0.867 0.511 1.000 0.727 CA 1.430 11 residues pruned to eliminate duplicates Z: 19 26.088 1.987 0.515 0.919 0.944 0.889 CB 1.525 19 residues pruned to eliminate duplicates Z: 24 15.537 1.972 0.534 0.381 0.826 0.522 CB 1.471 Z: 13 15.530 2.033 0.910 0.506 0.917 0.500 CA 1.252 Z: 9 14.813 1.844 0.672 0.716 0.875 0.875 CB 1.597 Z: 10 13.096 1.956 0.476 0.802 0.889 0.444 CB 1.307 10 residues pruned to eliminate duplicates Z: 19 17.631 2.006 0.233 0.924 1.000 0.889 CB 1.180 19 residues pruned to eliminate duplicates Z: 10 8.416 1.782 0.288 0.692 0.889 0.667 CA 1.153 Z: 21 17.984 2.182 0.329 0.544 0.950 0.750 CB 1.398 21 residues pruned to eliminate duplicates Z: 19 45.453 2.289 0.872 0.944 1.000 0.667 CB 1.731 21 residues pruned to eliminate duplicates Z: 22 38.336 2.241 0.626 0.909 0.952 0.857 CA 1.711 22 residues pruned to eliminate duplicates Z: 16 11.709 1.940 0.339 0.412 0.867 0.533 CB 1.472 Z: 15 9.078 2.096 0.288 0.361 0.714 0.500 CB 1.460 Z: 22 30.838 2.175 0.469 0.891 1.000 0.714 CB 1.513 22 residues pruned to eliminate duplicates Z: 30 19.132 2.025 0.592 0.433 0.931 0.586 CB 1.268 13 residues pruned to eliminate duplicates Z: 8 12.557 1.862 0.226 0.880 1.000 0.714 N 1.506 9 residues pruned to eliminate duplicates Z: 42 31.062 2.011 0.595 0.651 0.951 0.732 CA 1.382 33 residues pruned to eliminate duplicates Z: 11 15.358 1.853 0.650 0.860 0.900 0.900 CA 1.298 11 residues pruned to eliminate duplicates Z: 22 38.534 2.226 0.686 0.907 1.000 0.762 CB 1.594 22 residues pruned to eliminate duplicates Z: 14 16.177 1.976 0.484 0.455 1.000 0.385 CB 1.602 13 residues pruned to eliminate duplicates Z: 18 12.637 1.844 0.479 0.302 1.000 0.529 CB 1.401 Z: 26 14.570 1.823 0.451 0.491 0.840 0.600 CB 1.323 26 residues pruned to eliminate duplicates Z: 14 12.889 2.065 0.812 0.358 0.846 0.462 CA 1.316 14 residues pruned to eliminate duplicates Z: 20 21.661 1.923 0.567 0.849 0.947 0.789 CA 1.290 20 residues pruned to eliminate duplicates Z: 11 11.835 1.888 0.703 0.374 0.900 0.500 CB 1.480 11 residues pruned to eliminate duplicates Z: 18 24.233 2.027 0.626 0.906 0.941 0.824 CB 1.348 18 residues pruned to eliminate duplicates Z: 22 45.957 2.235 0.907 0.912 0.952 0.524 CB 1.749 20 residues pruned to eliminate duplicates Z: 12 20.659 1.791 0.631 0.862 1.000 0.636 CA 1.565 10 residues pruned to eliminate duplicates Z: 29 17.634 2.028 0.673 0.428 0.857 0.643 CB 1.234 17 residues pruned to eliminate duplicates Z: 15 9.169 1.922 0.457 0.344 0.714 0.500 CB 1.452 Z: 29 15.670 2.050 0.271 0.377 0.821 0.464 CB 1.578 15 residues pruned to eliminate duplicates Z: 9 11.655 1.838 0.598 0.756 0.750 0.750 CA 1.490 10 residues pruned to eliminate duplicates Z: 11 12.365 2.076 0.717 0.504 0.900 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 15 9.066 1.835 0.442 0.347 0.929 0.500 CB 1.164 Z: 27 12.485 1.952 0.500 0.310 0.808 0.577 CB 1.278 Z: 19 15.384 1.994 0.823 0.390 0.833 0.500 CB 1.345 19 residues pruned to eliminate duplicates Z: 9 9.138 2.154 0.581 0.394 0.750 0.375 CB 1.415 Z: 61 42.132 2.235 0.632 0.563 0.900 0.633 CB 1.559 32 residues pruned to eliminate duplicates Z: 21 25.385 1.958 0.532 0.902 0.900 0.900 CB 1.499 21 residues pruned to eliminate duplicates Z: 22 36.605 2.251 0.672 0.881 0.952 0.571 CB 1.613 22 residues pruned to eliminate duplicates Z: 27 25.990 2.056 0.458 0.677 0.923 0.846 CA 1.564 24 residues pruned to eliminate duplicates Z: 11 7.291 1.811 0.634 0.437 0.700 0.500 CB 1.188 11 residues pruned to eliminate duplicates Z: 19 17.524 2.126 0.507 0.606 0.889 0.722 CB 1.312 19 residues pruned to eliminate duplicates Z: 21 49.630 2.341 0.850 0.942 1.000 0.700 CB 1.777 21 residues pruned to eliminate duplicates Z: 22 46.885 2.265 0.833 0.928 1.000 0.905 CA 1.726 22 residues pruned to eliminate duplicates Z: 19 10.855 1.860 0.449 0.411 0.889 0.556 CB 1.171 17 residues pruned to eliminate duplicates Z: 21 52.642 2.323 0.997 0.926 1.000 0.650 CB 1.779 21 residues pruned to eliminate duplicates Z: 30 16.658 2.026 0.452 0.353 0.828 0.448 CB 1.489 20 residues pruned to eliminate duplicates Z: 17 9.710 1.975 0.391 0.403 0.688 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 9 13.478 1.690 0.491 0.904 1.000 0.875 CA 1.347 8 residues pruned to eliminate duplicates Z: 11 13.750 1.761 0.610 0.568 1.000 0.700 CA 1.436 Z: 19 36.635 2.040 0.845 0.938 1.000 0.722 CA 1.596 27 residues pruned to eliminate duplicates Z: 11 5.957 1.830 0.579 0.241 0.800 0.300 CB 1.099 Z: 23 8.618 1.735 0.387 0.337 0.818 0.500 CB 1.115 10 residues pruned to eliminate duplicates Z: 21 45.371 2.289 0.803 0.920 1.000 0.950 CA 1.731 21 residues pruned to eliminate duplicates Z: 20 15.216 2.107 0.316 0.364 0.895 0.474 CB 1.629 20 residues pruned to eliminate duplicates Z: 9 5.570 1.988 0.182 0.292 0.750 0.500 CB 1.412 8 residues pruned to eliminate duplicates Z: 45 20.922 1.900 0.511 0.457 0.909 0.500 CA 1.262 63 residues pruned to eliminate duplicates Z: 59 38.619 2.030 0.651 0.584 0.914 0.603 CB 1.528 62 residues pruned to eliminate duplicates Z: 27 24.997 2.158 0.961 0.433 0.885 0.615 CB 1.404 27 residues pruned to eliminate duplicates Z: 20 31.444 2.023 0.730 0.924 0.947 0.684 CB 1.528 20 residues pruned to eliminate duplicates Z: 19 11.877 1.912 0.506 0.369 0.889 0.556 CA 1.259 19 residues pruned to eliminate duplicates Z: 17 12.758 1.880 0.579 0.355 0.875 0.438 CA 1.435 15 residues pruned to eliminate duplicates Z: 33 17.441 1.940 0.416 0.402 0.906 0.531 CB 1.372 33 residues pruned to eliminate duplicates Z: 16 22.685 2.093 0.554 0.899 1.000 0.867 CB 1.287 16 residues pruned to eliminate duplicates Z: 12 7.017 1.589 0.155 0.511 0.818 0.545 N 1.394 Z: 28 16.367 2.049 0.484 0.454 0.852 0.593 CB 1.275 27 residues pruned to eliminate duplicates Z: 8 9.938 1.819 0.039 0.891 1.000 0.857 CA 1.430 8 residues pruned to eliminate duplicates Z: 18 24.877 2.078 0.438 0.924 1.000 0.824 CA 1.417 18 residues pruned to eliminate duplicates Z: 6 6.947 1.971 0.180 0.600 0.800 0.800 CA 1.518 6 residues pruned to eliminate duplicates Z: 19 26.116 2.073 0.586 0.875 0.944 0.556 CA 1.442 19 residues pruned to eliminate duplicates Z: 11 6.527 1.905 0.241 0.366 0.700 0.300 CB 1.440 11 residues pruned to eliminate duplicates Z: 10 7.369 1.826 1.163 0.332 0.778 0.556 CB 0.961 10 residues pruned to eliminate duplicates Z: 10 10.893 1.689 0.476 0.788 0.889 0.556 CA 1.272 9 residues pruned to eliminate duplicates Z: 18 21.560 1.978 0.413 0.899 0.941 0.765 CB 1.421 18 residues pruned to eliminate duplicates Z: 7 3.154 1.850 0.059 0.327 0.667 0.500 CB 1.192 7 residues pruned to eliminate duplicates Z: 8 6.846 1.942 0.677 0.412 0.714 0.429 CA 1.220 Z: 20 18.709 1.888 0.276 0.898 0.895 0.632 CB 1.424 20 residues pruned to eliminate duplicates Z: 20 21.625 1.885 0.692 0.680 0.947 0.737 CB 1.391 20 residues pruned to eliminate duplicates Z: 46 37.160 1.987 0.719 0.704 0.911 0.556 CB 1.478 46 residues pruned to eliminate duplicates Z: 36 14.051 1.838 0.354 0.378 0.914 0.486 CA 1.190 36 residues pruned to eliminate duplicates Z: 25 10.691 1.766 0.417 0.307 0.875 0.458 CA 1.236 Z: 7 7.548 1.504 0.540 0.702 1.000 0.667 CA 1.107 Z: 32 14.934 1.958 0.488 0.263 0.871 0.452 CB 1.384 25 residues pruned to eliminate duplicates Z: 8 2.181 1.760 -0.144 0.255 0.714 0.571 CA 1.015 Z: 8 5.246 1.724 0.181 0.316 0.857 0.714 CB 1.392 8 residues pruned to eliminate duplicates Z: 20 15.320 1.879 0.699 0.661 0.895 0.526 CB 1.060 20 residues pruned to eliminate duplicates Z: 14 18.746 1.753 0.533 0.890 1.000 0.615 CB 1.392 14 residues pruned to eliminate duplicates Z: 12 8.353 1.804 0.566 0.409 0.727 0.364 CA 1.348 15 residues pruned to eliminate duplicates Z: 22 12.440 1.918 0.463 0.342 0.952 0.571 CB 1.206 22 residues pruned to eliminate duplicates Z: 7 5.026 1.643 0.486 0.715 0.500 0.500 CB 1.383 Z: 11 12.395 1.841 0.503 0.891 0.900 0.700 CB 1.131 11 residues pruned to eliminate duplicates Z: 8 9.121 1.840 0.547 0.566 1.000 0.857 CA 1.136 8 residues pruned to eliminate duplicates Z: 14 6.050 1.908 0.476 0.362 0.769 0.538 CB 0.899 Z: 29 20.513 1.986 0.619 0.517 0.929 0.643 CB 1.276 28 residues pruned to eliminate duplicates Z: 12 5.951 1.700 0.198 0.439 0.818 0.636 CB 1.147 Z: 23 22.574 2.166 0.945 0.356 0.909 0.636 CB 1.469 23 residues pruned to eliminate duplicates Z: 12 6.914 1.703 0.411 0.531 0.909 0.636 CB 0.926 11 residues pruned to eliminate duplicates Z: 13 13.150 1.881 0.576 0.505 0.917 0.750 CB 1.391 10 residues pruned to eliminate duplicates Z: 67 42.886 2.194 0.652 0.528 0.939 0.621 CB 1.508 67 residues pruned to eliminate duplicates Z: 14 9.878 1.934 0.491 0.377 0.923 0.615 CB 1.173 15 residues pruned to eliminate duplicates Z: 23 25.096 1.950 0.576 0.806 0.864 0.455 CB 1.544 23 residues pruned to eliminate duplicates Z: 15 8.856 1.966 0.422 0.355 0.643 0.500 CA 1.540 15 residues pruned to eliminate duplicates Z: 25 12.430 1.863 0.418 0.338 0.875 0.583 CB 1.309 13 residues pruned to eliminate duplicates Z: 18 11.294 1.599 0.768 0.483 0.941 0.588 CA 1.047 7 residues pruned to eliminate duplicates Z: 9 14.482 1.705 0.908 0.866 1.000 0.750 CB 1.152 10 residues pruned to eliminate duplicates Z: 7 7.121 1.743 0.243 0.727 1.000 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 17 13.881 1.941 0.357 0.375 1.000 0.562 CB 1.505 18 residues pruned to eliminate duplicates Z: 21 25.613 1.963 0.540 0.909 0.900 0.600 CB 1.494 21 residues pruned to eliminate duplicates Z: 46 28.925 2.054 0.537 0.514 0.911 0.556 CB 1.478 57 residues pruned to eliminate duplicates Z: 17 17.128 2.038 0.353 0.866 1.000 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 20 29.880 1.994 0.740 0.881 0.895 0.632 CB 1.599 20 residues pruned to eliminate duplicates Z: 14 8.986 1.931 0.656 0.340 1.000 0.308 CB 0.928 14 residues pruned to eliminate duplicates Z: 19 12.156 1.935 0.382 0.352 0.944 0.722 CA 1.331 19 residues pruned to eliminate duplicates Z: 17 10.898 1.822 0.471 0.387 0.875 0.500 CB 1.310 22 residues pruned to eliminate duplicates Z: 7 6.432 1.967 0.172 0.261 1.000 0.667 CB 1.497 7 residues pruned to eliminate duplicates Z: 25 22.395 2.035 0.686 0.469 0.917 0.542 CA 1.499 26 residues pruned to eliminate duplicates Z: 24 12.813 1.834 0.455 0.361 0.913 0.478 CB 1.274 17 residues pruned to eliminate duplicates Z: 23 49.190 2.202 0.953 0.912 1.000 0.636 CA 1.727 23 residues pruned to eliminate duplicates Z: 31 12.718 1.975 0.462 0.328 0.800 0.500 CB 1.213 25 residues pruned to eliminate duplicates Z: 42 35.002 2.046 0.674 0.682 0.951 0.732 CA 1.420 42 residues pruned to eliminate duplicates Z: 9 5.371 1.702 -0.009 0.652 0.875 0.625 CB 1.117 Z: 63 38.260 2.013 0.604 0.611 0.919 0.726 CA 1.474 61 residues pruned to eliminate duplicates Z: 18 13.673 2.007 0.428 0.298 1.000 0.647 CB 1.449 20 residues pruned to eliminate duplicates Z: 6 7.176 1.970 0.254 0.511 1.000 0.600 CB 1.285 6 residues pruned to eliminate duplicates Z: 11 9.268 1.888 0.304 0.816 0.800 0.700 CB 1.130 11 residues pruned to eliminate duplicates Z: 22 9.789 1.855 0.248 0.350 0.857 0.619 CB 1.267 22 residues pruned to eliminate duplicates Z: 11 12.288 1.810 0.360 0.862 0.900 0.800 CB 1.288 11 residues pruned to eliminate duplicates Z: 67 45.519 2.201 0.694 0.577 0.909 0.545 CB 1.534 25 residues pruned to eliminate duplicates Z: 11 4.197 1.610 0.524 0.249 0.600 0.400 CB 1.204 Z: 20 13.774 1.918 0.446 0.346 0.947 0.579 CB 1.420 20 residues pruned to eliminate duplicates Z: 20 9.988 1.971 0.337 0.303 0.842 0.421 CA 1.286 23 residues pruned to eliminate duplicates Z: 9 14.124 1.878 0.522 0.735 0.875 0.875 CB 1.617 9 residues pruned to eliminate duplicates Z: 17 25.641 2.076 0.581 0.892 1.000 0.562 CA 1.403 17 residues pruned to eliminate duplicates Z: 8 7.906 1.641 0.326 0.661 1.000 0.714 N 1.184 8 residues pruned to eliminate duplicates Z: 7 7.780 1.778 0.327 0.718 0.833 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 20 18.002 1.920 0.305 0.897 1.000 0.895 CB 1.180 20 residues pruned to eliminate duplicates Z: 7 3.019 1.345 0.512 0.573 0.667 0.333 CB 0.847 7 residues pruned to eliminate duplicates Z: 10 3.397 1.714 -0.022 0.293 0.778 0.667 CB 1.096 10 residues pruned to eliminate duplicates Z: 10 9.069 1.605 0.242 0.773 1.000 0.556 CA 1.191 7 residues pruned to eliminate duplicates Z: 14 9.634 1.631 0.363 0.424 1.000 0.615 CB 1.300 9 residues pruned to eliminate duplicates Z: 25 13.239 2.037 0.363 0.417 0.792 0.417 CB 1.340 8 residues pruned to eliminate duplicates Z: 7 4.266 1.666 0.469 0.310 0.833 0.500 N 1.054 Z: 18 31.646 2.102 0.767 0.930 1.000 0.765 CA 1.445 18 residues pruned to eliminate duplicates Z: 12 16.860 1.979 0.537 0.691 1.000 0.636 CB 1.403 Z: 21 53.971 2.345 1.042 0.948 0.950 0.600 CA 1.833 21 residues pruned to eliminate duplicates Z: 20 23.110 1.970 0.623 0.906 0.947 0.684 CB 1.245 20 residues pruned to eliminate duplicates Z: 22 42.460 2.246 0.766 0.912 1.000 0.524 CB 1.654 22 residues pruned to eliminate duplicates Z: 8 12.798 1.821 0.571 0.881 1.000 0.857 CB 1.224 8 residues pruned to eliminate duplicates Z: 11 11.962 1.869 0.518 0.616 1.000 0.800 CB 1.195 12 residues pruned to eliminate duplicates Z: 70 38.573 2.020 0.728 0.555 0.855 0.507 CB 1.475 69 residues pruned to eliminate duplicates Z: 11 9.626 1.753 0.377 0.560 0.900 0.700 CA 1.321 Z: 40 15.204 1.884 0.517 0.323 0.872 0.538 CB 1.187 35 residues pruned to eliminate duplicates Z: 15 9.544 1.759 0.351 0.492 0.857 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 9 12.351 1.643 0.858 0.801 1.000 0.500 CB 1.100 9 residues pruned to eliminate duplicates Z: 9 11.228 1.692 0.501 0.836 1.000 0.875 CA 1.170 9 residues pruned to eliminate duplicates Z: 17 22.991 2.034 0.686 0.911 1.000 0.688 CB 1.188 17 residues pruned to eliminate duplicates Z: 14 11.951 1.861 0.409 0.450 1.000 0.538 CB 1.331 14 residues pruned to eliminate duplicates Z: 9 9.708 1.852 0.759 0.448 0.875 0.500 CB 1.270 9 residues pruned to eliminate duplicates Z: 19 14.539 1.992 0.515 0.377 0.944 0.444 CB 1.371 19 residues pruned to eliminate duplicates Z: 9 8.500 1.846 0.434 0.496 0.875 0.375 N 1.302 Z: 8 2.963 1.588 0.520 0.320 0.571 0.286 O 0.990 8 residues pruned to eliminate duplicates Z: 7 3.425 1.788 0.207 0.234 1.000 0.500 CB 0.883 Z: 29 15.415 2.007 0.430 0.370 0.857 0.500 CA 1.361 21 residues pruned to eliminate duplicates Z: 21 38.251 2.268 0.843 0.877 0.950 0.500 CB 1.564 21 residues pruned to eliminate duplicates Z: 9 7.059 1.633 0.066 0.585 1.000 0.625 C 1.322 Z: 11 7.838 1.755 0.447 0.376 0.900 0.500 CB 1.239 11 residues pruned to eliminate duplicates Z: 17 10.764 1.972 0.294 0.401 0.812 0.562 CB 1.440 8 residues pruned to eliminate duplicates Z: 14 13.550 1.979 0.765 0.393 0.769 0.615 CA 1.567 14 residues pruned to eliminate duplicates Z: 6 5.814 1.607 0.443 0.653 0.800 0.400 CA 1.215 6 residues pruned to eliminate duplicates Z: 13 8.602 1.951 0.186 0.451 0.833 0.500 CA 1.355 13 residues pruned to eliminate duplicates Z: 32 19.950 2.075 0.395 0.423 0.871 0.645 CB 1.539 49 residues pruned to eliminate duplicates Z: 6 2.175 1.416 -0.021 0.396 0.800 0.600 CA 0.980 Z: 6 4.280 1.567 0.423 0.432 0.800 0.800 CB 1.151 Z: 6 2.089 1.597 0.263 0.597 0.800 0.600 CB 0.528 Z: 37 28.817 1.966 0.815 0.495 0.944 0.500 CA 1.432 37 residues pruned to eliminate duplicates Z: 10 9.624 1.752 0.363 0.631 0.778 0.667 CB 1.527 10 residues pruned to eliminate duplicates Z: 19 28.654 2.017 0.804 0.928 1.000 0.889 CB 1.299 19 residues pruned to eliminate duplicates Z: 10 4.176 1.648 0.126 0.466 0.778 0.667 CB 0.999 Z: 13 11.256 1.979 0.465 0.408 0.917 0.750 CA 1.346 13 residues pruned to eliminate duplicates Z: 65 42.780 2.019 0.674 0.617 0.938 0.656 CA 1.511 66 residues pruned to eliminate duplicates Z: 10 9.408 1.846 0.307 0.543 0.889 0.667 CB 1.403 10 residues pruned to eliminate duplicates Z: 18 13.246 1.897 0.517 0.467 0.824 0.529 CB 1.402 18 residues pruned to eliminate duplicates Z: 6 5.846 1.885 0.723 0.564 0.600 0.600 N 1.260 6 residues pruned to eliminate duplicates Z: 9 9.563 1.700 0.659 0.807 0.875 0.750 CA 1.048 9 residues pruned to eliminate duplicates Z: 12 5.664 1.878 0.354 0.450 0.818 0.727 CA 0.864 Z: 22 39.401 2.205 0.794 0.895 1.000 0.524 CB 1.558 22 residues pruned to eliminate duplicates Z: 12 7.893 1.602 0.238 0.617 0.909 0.545 CB 1.181 12 residues pruned to eliminate duplicates Z: 7 5.583 1.554 0.391 0.432 1.000 0.500 CB 1.131 7 residues pruned to eliminate duplicates Z: 7 2.955 1.462 0.509 0.377 0.500 0.333 CA 1.247 Z: 33 15.960 1.971 0.582 0.350 0.812 0.531 CB 1.311 33 residues pruned to eliminate duplicates Z: 16 27.492 2.057 0.701 0.896 1.000 0.267 CB 1.454 16 residues pruned to eliminate duplicates Z: 13 9.011 1.814 0.307 0.509 0.750 0.583 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 8.665 1.564 0.201 0.827 0.889 0.556 CB 1.303 10 residues pruned to eliminate duplicates Z: 18 9.782 1.872 0.601 0.339 0.765 0.412 CB 1.234 22 residues pruned to eliminate duplicates Z: 31 12.298 1.983 0.247 0.347 0.867 0.367 CB 1.237 31 residues pruned to eliminate duplicates Z: 9 6.098 1.950 0.635 0.385 0.625 0.625 CB 1.223 Z: 13 5.845 1.559 0.322 0.447 0.833 0.500 CB 1.037 Z: 28 21.197 2.042 0.681 0.533 0.926 0.630 CB 1.242 28 residues pruned to eliminate duplicates Z: 9 10.578 1.873 0.383 0.855 0.750 0.500 CA 1.421 9 residues pruned to eliminate duplicates Z: 11 11.783 1.938 0.572 0.447 0.900 0.600 CB 1.435 10 residues pruned to eliminate duplicates Z: 23 12.700 1.854 0.474 0.432 0.864 0.727 CB 1.230 23 residues pruned to eliminate duplicates 6 1.071 1.373 -0.112 0.300 0.800 0.600 C 0.614 ? Z: 7 3.823 1.614 -0.024 0.547 0.833 0.667 CB 1.136 7 residues pruned to eliminate duplicates Z: 7 8.924 1.709 0.105 0.876 1.000 0.833 O 1.402 7 residues pruned to eliminate duplicates Z: 9 13.319 1.719 0.709 0.872 1.000 1.000 CA 1.168 9 residues pruned to eliminate duplicates Z: 15 13.378 2.025 0.431 0.559 0.929 0.571 CA 1.255 15 residues pruned to eliminate duplicates Z: 6 9.337 2.041 0.290 0.624 1.000 0.800 CA 1.410 6 residues pruned to eliminate duplicates Z: 18 5.469 1.647 0.125 0.325 0.706 0.529 CB 1.229 18 residues pruned to eliminate duplicates Z: 7 3.259 1.605 -0.239 0.733 0.833 0.833 CA 1.059 Z: 7 3.365 1.593 0.422 0.376 0.667 0.667 CA 1.039 7 residues pruned to eliminate duplicates Z: 14 10.375 1.779 0.429 0.452 0.923 0.538 CA 1.288 14 residues pruned to eliminate duplicates Z: 62 38.587 2.181 0.553 0.547 0.918 0.574 CB 1.518 62 residues pruned to eliminate duplicates Z: 23 25.237 1.805 0.939 0.899 1.000 0.818 CB 1.099 23 residues pruned to eliminate duplicates Z: 8 13.914 1.918 0.660 0.635 1.000 0.714 CB 1.455 8 residues pruned to eliminate duplicates Z: 7 7.066 1.812 0.493 0.819 0.667 0.667 CA 1.213 7 residues pruned to eliminate duplicates Z: 8 7.493 1.759 0.294 0.686 1.000 0.857 CA 1.049 8 residues pruned to eliminate duplicates Z: 15 5.895 1.867 0.222 0.352 0.786 0.429 CB 1.033 15 residues pruned to eliminate duplicates Z: 10 4.761 1.797 -0.077 0.426 0.778 0.556 CB 1.328 7 residues pruned to eliminate duplicates Z: 18 7.696 1.948 0.373 0.246 0.647 0.353 CA 1.446 18 residues pruned to eliminate duplicates Z: 11 5.076 1.778 0.171 0.392 0.700 0.500 CB 1.234 11 residues pruned to eliminate duplicates Z: 21 12.462 1.856 0.612 0.353 0.900 0.500 CB 1.213 21 residues pruned to eliminate duplicates Z: 6 6.216 1.436 1.112 0.783 0.800 0.600 CA 0.893 Z: 9 8.568 1.946 0.349 0.544 1.000 0.875 CA 1.105 9 residues pruned to eliminate duplicates Z: 15 22.249 2.132 0.496 0.905 1.000 0.786 CB 1.328 15 residues pruned to eliminate duplicates Z: 14 13.222 1.917 0.777 0.396 0.846 0.538 CA 1.420 8 residues pruned to eliminate duplicates Z: 33 20.666 2.057 0.568 0.368 0.875 0.438 CB 1.492 33 residues pruned to eliminate duplicates Z: 11 8.287 1.999 0.406 0.216 0.900 0.400 CA 1.447 11 residues pruned to eliminate duplicates Z: 14 9.364 1.684 0.443 0.486 0.923 0.769 CA 1.175 13 residues pruned to eliminate duplicates Z: 7 6.339 1.803 0.175 0.412 1.000 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 18 16.461 1.919 0.437 0.474 0.941 0.647 CB 1.579 18 residues pruned to eliminate duplicates Z: 47 36.355 2.091 0.729 0.573 0.957 0.717 CA 1.444 21 residues pruned to eliminate duplicates Z: 18 14.652 2.153 0.616 0.351 0.882 0.529 CA 1.361 18 residues pruned to eliminate duplicates Z: 8 5.848 1.503 0.871 0.493 0.857 0.286 CB 0.923 Z: 13 7.259 1.845 0.364 0.437 0.917 0.500 CB 0.970 13 residues pruned to eliminate duplicates Z: 21 15.844 2.018 0.806 0.369 0.900 0.600 CA 1.243 21 residues pruned to eliminate duplicates Z: 6 4.855 1.574 0.090 0.809 1.000 0.800 CA 0.966 6 residues pruned to eliminate duplicates Z: 6 6.761 1.654 0.981 0.550 1.000 0.600 CB 0.879 Z: 12 15.781 2.028 0.808 0.471 0.909 0.545 CB 1.469 Z: 62 43.921 2.204 0.706 0.590 0.934 0.443 CB 1.468 41 residues pruned to eliminate duplicates Z: 19 31.837 2.034 0.816 0.911 0.944 0.556 CA 1.525 19 residues pruned to eliminate duplicates Z: 6 6.019 1.567 0.580 0.665 0.800 0.600 N 1.167 Z: 11 11.502 1.903 0.061 0.842 1.000 0.900 CB 1.343 Z: 31 17.058 2.037 0.424 0.345 0.867 0.467 CB 1.466 31 residues pruned to eliminate duplicates Z: 34 18.781 1.916 0.685 0.449 0.909 0.545 CB 1.174 34 residues pruned to eliminate duplicates Z: 11 20.621 2.103 0.836 0.644 1.000 0.800 CA 1.476 11 residues pruned to eliminate duplicates Z: 11 9.394 1.705 0.593 0.496 0.800 0.800 CA 1.372 11 residues pruned to eliminate duplicates Z: 47 17.729 1.871 0.462 0.338 0.891 0.522 CB 1.280 19 residues pruned to eliminate duplicates Z: 10 3.284 1.666 0.387 0.283 0.667 0.333 CB 0.908 8 residues pruned to eliminate duplicates Z: 7 10.080 1.993 0.746 0.500 0.833 0.500 CA 1.419 Z: 6 8.960 1.841 0.546 0.722 0.800 0.800 CB 1.440 6 residues pruned to eliminate duplicates Z: 20 13.089 1.881 0.483 0.485 0.842 0.737 CA 1.297 20 residues pruned to eliminate duplicates Z: 12 6.300 1.893 0.390 0.233 0.727 0.636 N 1.354 12 residues pruned to eliminate duplicates Z: 17 11.088 1.680 0.456 0.531 0.875 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 8 7.029 1.606 0.112 0.581 1.000 0.714 CA 1.376 8 residues pruned to eliminate duplicates Z: 19 30.976 2.052 0.893 0.887 0.889 0.722 CA 1.524 19 residues pruned to eliminate duplicates Z: 7 9.230 1.906 0.575 0.472 0.833 0.667 CB 1.550 6 residues pruned to eliminate duplicates Z: 30 11.693 1.929 0.374 0.290 0.828 0.552 CB 1.253 30 residues pruned to eliminate duplicates Z: 13 14.445 1.881 0.338 0.706 1.000 0.667 CB 1.374 12 residues pruned to eliminate duplicates Z: 6 3.305 1.510 0.091 0.431 0.800 0.400 CA 1.205 Z: 6 2.748 1.450 0.183 0.470 0.800 0.400 CB 0.923 Z: 11 6.039 1.636 0.702 0.298 0.700 0.400 CA 1.227 11 residues pruned to eliminate duplicates Z: 20 24.606 2.014 0.496 0.853 0.947 0.632 CA 1.462 20 residues pruned to eliminate duplicates Z: 8 10.727 1.701 0.630 0.859 1.000 0.857 CA 1.076 10 residues pruned to eliminate duplicates Z: 12 6.538 1.938 0.210 0.339 0.818 0.636 CB 1.225 23 residues pruned to eliminate duplicates Z: 9 2.735 1.797 -0.159 0.273 0.625 0.375 CB 1.324 9 residues pruned to eliminate duplicates Z: 8 2.475 1.271 -0.005 0.590 0.857 0.429 CB 0.792 7 residues pruned to eliminate duplicates Z: 16 10.103 1.839 0.259 0.428 0.933 0.600 CB 1.301 16 residues pruned to eliminate duplicates Z: 7 4.104 1.777 -0.302 0.713 0.833 0.667 CA 1.336 8 residues pruned to eliminate duplicates Z: 20 12.356 1.873 0.446 0.357 0.842 0.526 CB 1.451 21 residues pruned to eliminate duplicates Z: 11 7.226 1.597 0.350 0.595 0.900 0.600 CB 1.075 10 residues pruned to eliminate duplicates Z: 14 11.517 1.969 0.383 0.486 0.769 0.615 CB 1.547 Z: 20 12.372 1.962 0.629 0.364 0.789 0.474 CB 1.303 20 residues pruned to eliminate duplicates Z: 8 5.618 1.701 0.856 0.398 0.714 0.429 CA 1.048 Z: 13 13.543 1.892 0.634 0.615 0.833 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 20 9.969 1.739 0.501 0.289 0.842 0.474 CB 1.319 20 residues pruned to eliminate duplicates Z: 25 13.000 1.860 0.422 0.410 0.917 0.625 CB 1.203 25 residues pruned to eliminate duplicates Z: 6 3.114 1.739 -0.087 0.640 0.800 0.800 CB 0.962 6 residues pruned to eliminate duplicates Z: 18 10.813 1.799 0.454 0.461 0.882 0.471 CB 1.183 13 residues pruned to eliminate duplicates Z: 15 7.969 1.822 0.397 0.326 0.857 0.500 CA 1.181 15 residues pruned to eliminate duplicates Z: 11 8.459 1.913 0.577 0.413 0.800 0.700 CB 1.214 12 residues pruned to eliminate duplicates Z: 43 30.806 2.173 0.602 0.470 0.905 0.667 CB 1.556 26 residues pruned to eliminate duplicates Z: 67 37.811 2.119 0.594 0.579 0.909 0.652 CB 1.405 67 residues pruned to eliminate duplicates Z: 24 15.585 1.988 0.482 0.400 0.870 0.609 CB 1.409 25 residues pruned to eliminate duplicates Z: 7 3.870 1.641 0.163 0.345 1.000 0.167 CA 0.979 5 residues pruned to eliminate duplicates Z: 15 8.271 1.806 0.423 0.412 0.857 0.714 CB 1.101 15 residues pruned to eliminate duplicates Z: 11 17.265 2.120 1.128 0.462 0.800 0.600 CB 1.573 11 residues pruned to eliminate duplicates Z: 21 10.504 1.811 0.256 0.321 0.950 0.500 CB 1.323 21 residues pruned to eliminate duplicates Z: 10 9.997 1.627 0.501 0.855 1.000 0.667 CA 1.007 10 residues pruned to eliminate duplicates Z: 26 10.757 1.851 0.344 0.342 0.840 0.560 CB 1.223 28 residues pruned to eliminate duplicates Z: 30 19.477 1.955 0.666 0.498 0.931 0.517 CB 1.195 29 residues pruned to eliminate duplicates Z: 6 4.114 1.796 0.017 0.467 0.800 0.400 C 1.302 Z: 10 8.568 1.930 0.911 0.331 0.778 0.444 CB 1.198 10 residues pruned to eliminate duplicates Z: 6 2.958 1.458 0.675 0.361 0.800 0.600 N 0.786 Z: 14 5.774 1.670 0.209 0.372 0.692 0.308 CB 1.313 14 residues pruned to eliminate duplicates Z: 8 10.492 1.793 0.675 0.782 1.000 0.857 CB 1.030 Z: 27 17.586 2.027 0.584 0.495 0.885 0.577 CB 1.221 29 residues pruned to eliminate duplicates Z: 15 9.687 1.798 0.597 0.435 0.857 0.571 CA 1.125 15 residues pruned to eliminate duplicates Z: 28 14.423 2.038 0.422 0.381 0.852 0.556 CB 1.277 25 residues pruned to eliminate duplicates Z: 9 6.980 1.634 0.065 0.745 0.875 0.500 CA 1.301 9 residues pruned to eliminate duplicates Z: 44 39.328 2.222 0.654 0.601 0.953 0.581 CB 1.554 44 residues pruned to eliminate duplicates Z: 19 31.363 2.013 0.811 0.917 0.944 0.500 CA 1.515 19 residues pruned to eliminate duplicates Z: 7 10.800 1.630 0.816 0.860 1.000 0.500 CB 1.096 6 residues pruned to eliminate duplicates Z: 6 3.245 1.471 0.503 0.430 0.800 0.600 CB 0.882 Z: 8 7.514 1.858 0.541 0.410 0.857 0.571 CA 1.272 6 residues pruned to eliminate duplicates Z: 17 8.568 1.748 0.623 0.338 0.750 0.500 CB 1.201 17 residues pruned to eliminate duplicates Z: 10 9.191 1.596 0.509 0.643 0.889 0.778 CA 1.252 10 residues pruned to eliminate duplicates Z: 16 30.199 2.158 0.870 0.899 1.000 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 10 6.599 1.630 0.237 0.725 0.889 0.222 CA 1.002 10 residues pruned to eliminate duplicates Z: 12 13.111 1.929 0.415 0.685 0.909 0.545 CB 1.344 12 residues pruned to eliminate duplicates Z: 7 4.632 1.742 -0.194 0.742 1.000 0.833 CB 1.084 Z: 17 26.210 1.980 0.667 0.909 1.000 0.688 CA 1.409 17 residues pruned to eliminate duplicates Z: 12 11.415 1.934 0.339 0.605 1.000 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 7 8.176 1.808 0.668 0.539 0.833 0.500 CA 1.279 7 residues pruned to eliminate duplicates Z: 21 29.846 1.990 0.637 0.915 0.950 0.750 CB 1.524 21 residues pruned to eliminate duplicates Z: 11 9.768 1.719 0.069 0.822 1.000 0.600 CA 1.271 11 residues pruned to eliminate duplicates Z: 25 12.409 1.988 0.264 0.401 0.875 0.583 CA 1.278 25 residues pruned to eliminate duplicates Z: 30 16.883 1.975 0.707 0.418 0.862 0.517 CB 1.175 30 residues pruned to eliminate duplicates Z: 17 13.032 1.970 0.764 0.385 0.875 0.500 CB 1.210 17 residues pruned to eliminate duplicates Z: 7 3.119 1.669 -0.221 0.517 0.667 0.667 CB 1.444 Z: 8 2.772 1.571 0.114 0.320 0.857 0.286 CB 0.851 8 residues pruned to eliminate duplicates Z: 11 12.330 1.831 0.446 0.889 1.000 0.700 CA 1.060 11 residues pruned to eliminate duplicates Z: 13 9.985 1.715 0.666 0.539 0.917 0.667 CB 1.059 13 residues pruned to eliminate duplicates Z: 45 17.152 2.044 0.381 0.319 0.795 0.500 CB 1.407 85 residues pruned to eliminate duplicates Z: 16 9.939 1.920 0.477 0.296 0.800 0.667 CB 1.421 19 residues pruned to eliminate duplicates Z: 18 9.845 1.633 0.685 0.417 0.882 0.765 CB 1.072 18 residues pruned to eliminate duplicates Z: 17 8.229 1.689 0.436 0.399 0.812 0.562 CA 1.161 13 residues pruned to eliminate duplicates Z: 22 13.062 1.958 0.470 0.417 0.905 0.429 CB 1.194 22 residues pruned to eliminate duplicates Z: 10 11.061 1.920 0.297 0.653 0.889 0.778 CB 1.445 9 residues pruned to eliminate duplicates Z: 11 6.296 1.639 0.188 0.600 0.900 0.600 CB 1.033 9 residues pruned to eliminate duplicates Z: 38 27.811 1.950 0.633 0.617 0.973 0.649 CA 1.321 38 residues pruned to eliminate duplicates Z: 6 6.050 1.540 0.673 0.818 1.000 0.800 CB 0.796 6 residues pruned to eliminate duplicates Z: 6 3.371 1.598 -0.040 0.630 0.800 0.600 CB 1.087 6 residues pruned to eliminate duplicates Z: 10 9.772 2.019 0.315 0.462 1.000 0.778 CB 1.275 10 residues pruned to eliminate duplicates Z: 6 2.319 1.329 0.626 0.448 0.800 0.400 C 0.633 Z: 7 5.526 1.569 0.172 0.702 0.833 0.667 CB 1.224 9 residues pruned to eliminate duplicates Z: 10 3.885 1.613 0.099 0.600 1.000 0.778 CB 0.664 Z: 6 3.763 1.594 0.173 0.318 1.000 0.800 CB 1.100 Z: 11 12.947 1.893 0.409 0.826 1.000 0.700 CB 1.157 11 residues pruned to eliminate duplicates Z: 7 3.970 1.724 0.308 0.314 0.833 0.500 CB 1.060 Z: 11 9.655 1.912 0.715 0.483 0.900 0.500 CB 1.052 12 residues pruned to eliminate duplicates Z: 30 20.823 1.996 0.371 0.532 0.897 0.724 CB 1.528 28 residues pruned to eliminate duplicates Z: 29 15.025 2.036 0.550 0.382 0.821 0.500 CB 1.242 29 residues pruned to eliminate duplicates Z: 7 6.763 1.898 0.400 0.307 1.000 0.333 CA 1.286 7 residues pruned to eliminate duplicates Z: 8 4.200 1.634 -0.072 0.566 0.857 0.571 CB 1.147 8 residues pruned to eliminate duplicates Z: 37 21.187 2.141 0.496 0.466 0.861 0.472 CB 1.326 37 residues pruned to eliminate duplicates Z: 35 15.311 2.011 0.490 0.254 0.853 0.500 CB 1.364 35 residues pruned to eliminate duplicates 6 1.455 1.377 0.113 0.461 0.600 0.600 CB 0.736 ? 6 1.237 1.539 -0.197 0.423 0.800 0.400 N 0.606 ? Z: 14 12.903 1.860 0.558 0.417 1.000 0.538 CB 1.346 14 residues pruned to eliminate duplicates Z: 6 2.376 1.637 -0.227 0.558 1.000 0.800 CB 0.794 Z: 8 11.617 1.737 0.495 0.743 1.000 0.286 CA 1.360 8 residues pruned to eliminate duplicates Z: 20 35.943 2.012 1.026 0.911 0.947 0.526 CA 1.513 20 residues pruned to eliminate duplicates Z: 7 8.486 1.951 0.722 0.487 0.833 0.667 CB 1.253 7 residues pruned to eliminate duplicates Z: 9 7.036 1.561 0.423 0.598 0.875 0.625 CB 1.165 9 residues pruned to eliminate duplicates Z: 6 5.624 1.636 0.102 0.837 0.800 0.800 CA 1.304 6 residues pruned to eliminate duplicates Z: 53 25.723 2.048 0.601 0.394 0.865 0.519 CB 1.406 53 residues pruned to eliminate duplicates Z: 6 9.857 1.633 0.681 0.830 1.000 0.800 CA 1.207 Z: 6 2.782 1.390 0.055 0.377 0.800 0.600 N 1.209 Z: 10 6.756 1.799 0.653 0.384 0.889 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 10 9.308 1.568 0.653 0.842 1.000 0.778 CB 0.892 10 residues pruned to eliminate duplicates Z: 21 24.009 1.893 0.510 0.904 0.950 0.700 CB 1.408 17 residues pruned to eliminate duplicates Z: 14 10.509 1.826 0.570 0.336 0.846 0.385 CA 1.437 13 residues pruned to eliminate duplicates Z: 33 13.700 1.955 0.356 0.369 0.875 0.562 CB 1.202 16 residues pruned to eliminate duplicates Z: 38 18.782 1.983 0.401 0.394 0.919 0.649 CB 1.353 49 residues pruned to eliminate duplicates Z: 11 11.331 1.943 0.722 0.471 0.800 0.500 CB 1.379 10 residues pruned to eliminate duplicates Z: 6 3.338 1.322 0.162 0.530 1.000 1.000 CB 0.944 Z: 13 5.854 1.556 0.267 0.435 0.833 0.583 CB 1.100 Z: 15 6.896 1.854 0.350 0.309 0.714 0.357 CB 1.273 15 residues pruned to eliminate duplicates Z: 8 7.910 1.791 0.380 0.652 0.857 0.714 CB 1.226 8 residues pruned to eliminate duplicates Z: 36 25.244 1.922 0.670 0.535 0.914 0.600 CA 1.405 36 residues pruned to eliminate duplicates Z: 24 17.718 1.974 0.567 0.394 0.913 0.565 CB 1.463 26 residues pruned to eliminate duplicates Z: 8 5.027 1.430 0.509 0.441 0.857 0.286 O 1.091 Z: 6 3.079 1.254 0.410 0.484 0.800 0.800 N 0.989 Z: 6 6.594 1.632 0.395 0.808 1.000 0.600 CA 0.990 6 residues pruned to eliminate duplicates Z: 13 14.344 1.690 0.387 0.865 1.000 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 9 11.470 1.876 0.916 0.697 1.000 0.750 CA 0.942 10 residues pruned to eliminate duplicates Z: 7 6.499 1.595 0.378 0.466 1.000 0.500 N 1.249 7 residues pruned to eliminate duplicates Z: 24 19.613 2.045 0.526 0.457 0.913 0.565 CA 1.500 24 residues pruned to eliminate duplicates Z: 9 8.334 1.685 0.167 0.608 1.000 0.875 N 1.353 9 residues pruned to eliminate duplicates Z: 10 6.459 1.755 -0.013 0.485 1.000 0.556 CA 1.262 9 residues pruned to eliminate duplicates Z: 21 14.261 1.965 0.426 0.418 0.900 0.750 CA 1.377 21 residues pruned to eliminate duplicates Z: 12 7.048 1.692 0.587 0.368 0.727 0.455 CA 1.253 11 residues pruned to eliminate duplicates Z: 6 3.361 1.315 0.532 0.733 1.000 0.600 CA 0.605 6 residues pruned to eliminate duplicates Z: 15 9.773 1.694 0.523 0.513 0.857 0.714 CA 1.166 15 residues pruned to eliminate duplicates Z: 9 4.174 1.436 0.120 0.400 0.875 0.375 CB 1.166 Z: 6 5.578 1.508 0.580 0.643 1.000 0.800 CA 0.915 Z: 16 27.066 2.007 0.873 0.920 1.000 0.667 CB 1.309 16 residues pruned to eliminate duplicates Z: 9 8.622 1.886 0.481 0.469 0.750 0.625 CB 1.501 9 residues pruned to eliminate duplicates Z: 18 6.244 1.713 0.416 0.321 0.706 0.412 CB 1.078 18 residues pruned to eliminate duplicates Z: 10 4.838 1.383 0.625 0.346 1.000 0.333 CB 0.848 Z: 7 11.438 1.779 0.650 0.890 0.833 0.667 CB 1.374 7 residues pruned to eliminate duplicates Z: 14 12.023 1.867 0.415 0.402 0.923 0.615 CB 1.517 14 residues pruned to eliminate duplicates Z: 28 18.427 1.993 0.606 0.453 0.889 0.593 CB 1.308 Z: 7 2.787 1.679 -0.056 0.499 0.667 0.667 CA 1.077 Z: 6 4.154 1.410 0.376 0.650 0.800 0.800 C 1.040 Z: 32 20.964 1.962 0.580 0.573 0.871 0.677 CB 1.300 44 residues pruned to eliminate duplicates Z: 12 6.514 1.820 0.189 0.404 0.818 0.455 CB 1.228 12 residues pruned to eliminate duplicates Z: 9 9.848 1.905 0.375 0.610 0.875 0.875 CA 1.368 9 residues pruned to eliminate duplicates Z: 9 9.624 1.837 0.560 0.607 1.000 0.750 CB 1.073 9 residues pruned to eliminate duplicates Z: 14 3.950 1.571 0.356 0.239 0.692 0.538 CB 1.004 14 residues pruned to eliminate duplicates Z: 12 11.283 1.941 1.015 0.339 0.727 0.364 CA 1.425 12 residues pruned to eliminate duplicates Z: 11 10.469 1.794 0.658 0.544 1.000 0.600 CB 1.066 11 residues pruned to eliminate duplicates Z: 10 11.458 1.613 0.629 0.868 1.000 1.000 CB 1.063 Z: 47 42.744 2.174 0.781 0.602 0.957 0.500 CB 1.544 148 residues pruned to eliminate duplicates Z: 6 3.782 1.590 0.231 0.545 0.800 0.600 CB 1.033 6 1.738 1.438 0.142 0.514 0.600 0.600 C 0.778 ? Z: 11 12.466 2.020 0.503 0.631 0.900 0.700 CB 1.276 9 residues pruned to eliminate duplicates Z: 18 16.692 1.898 0.694 0.468 0.941 0.529 CA 1.382 21 residues pruned to eliminate duplicates 6 1.892 1.301 0.948 0.457 0.600 0.600 N 0.582 ? Z: 6 10.631 1.772 0.374 0.795 1.000 0.600 N 1.508 6 residues pruned to eliminate duplicates Z: 10 13.018 2.222 0.594 0.368 1.000 0.778 CB 1.411 10 residues pruned to eliminate duplicates Z: 16 13.761 1.905 0.604 0.420 1.000 0.533 CB 1.264 Z: 9 4.670 1.443 0.104 0.773 1.000 0.625 CB 0.814 6 residues pruned to eliminate duplicates Z: 45 28.023 1.999 0.430 0.621 0.909 0.614 CA 1.450 45 residues pruned to eliminate duplicates Z: 10 3.930 1.452 0.052 0.460 0.778 0.778 CA 1.149 10 residues pruned to eliminate duplicates Z: 23 13.763 1.989 0.653 0.526 0.818 0.500 CB 1.063 21 residues pruned to eliminate duplicates 6 1.751 1.290 0.498 0.390 0.600 0.400 CB 0.758 ? Z: 10 8.471 1.682 0.642 0.580 0.889 0.556 CA 1.064 10 residues pruned to eliminate duplicates Z: 19 38.109 2.186 0.847 0.873 1.000 0.833 CB 1.620 19 residues pruned to eliminate duplicates Z: 16 35.719 2.237 0.965 0.878 0.867 0.333 CA 1.757 16 residues pruned to eliminate duplicates Z: 28 20.598 2.047 0.666 0.505 0.889 0.593 CB 1.301 30 residues pruned to eliminate duplicates Z: 8 4.774 1.556 0.702 0.443 0.714 0.571 N 1.011 Z: 6 3.486 1.382 0.571 0.378 0.800 0.600 N 1.022 Z: 12 16.133 1.750 0.648 0.785 0.909 0.727 CA 1.443 12 residues pruned to eliminate duplicates Z: 18 44.268 2.292 1.062 0.842 1.000 0.588 CB 1.693 18 residues pruned to eliminate duplicates Z: 6 2.943 1.598 -0.385 0.641 1.000 0.800 C 1.173 6 residues pruned to eliminate duplicates Z: 7 5.248 1.385 0.708 0.530 1.000 1.000 CB 0.879 Z: 10 10.761 1.892 0.637 0.557 1.000 0.778 CA 1.096 9 residues pruned to eliminate duplicates Z: 29 19.384 1.997 0.765 0.470 0.929 0.464 CB 1.154 30 residues pruned to eliminate duplicates Z: 6 8.457 2.010 0.340 0.624 0.800 0.800 N 1.561 6 residues pruned to eliminate duplicates Z: 9 11.589 1.880 0.824 0.770 1.000 0.625 CA 0.941 9 residues pruned to eliminate duplicates Z: 8 6.591 1.813 0.170 0.536 1.000 0.571 CB 1.133 8 residues pruned to eliminate duplicates Z: 14 10.219 1.728 0.560 0.454 0.769 0.615 CB 1.433 15 residues pruned to eliminate duplicates Z: 7 3.311 1.714 0.412 0.281 0.667 0.500 CB 1.072 7 residues pruned to eliminate duplicates Z: 41 15.566 1.852 0.379 0.372 0.825 0.450 CB 1.339 49 residues pruned to eliminate duplicates Z: 9 3.987 1.703 -0.202 0.521 0.875 0.375 CB 1.160 5 residues pruned to eliminate duplicates Z: 24 19.075 1.952 0.561 0.577 0.826 0.609 CB 1.467 24 residues pruned to eliminate duplicates Z: 10 2.565 1.328 0.632 0.249 0.556 0.333 CB 0.949 Z: 22 10.892 1.730 0.383 0.322 0.857 0.429 CB 1.410 16 residues pruned to eliminate duplicates Z: 10 13.669 2.213 0.822 0.332 1.000 0.556 CA 1.358 10 residues pruned to eliminate duplicates Z: 9 4.157 1.345 0.746 0.418 0.750 0.625 C 0.909 Z: 8 5.076 1.466 0.552 0.403 0.857 0.571 N 1.090 Z: 19 21.866 1.960 0.498 0.876 0.833 0.722 CA 1.531 19 residues pruned to eliminate duplicates Z: 10 9.077 1.892 0.424 0.555 0.889 0.667 CA 1.198 10 residues pruned to eliminate duplicates Z: 10 9.978 1.658 0.507 0.836 1.000 0.889 CB 0.996 10 residues pruned to eliminate duplicates Z: 15 8.345 1.805 0.411 0.448 0.929 0.714 CB 0.995 15 residues pruned to eliminate duplicates Z: 8 5.969 1.625 0.464 0.456 0.857 0.714 CA 1.158 8 residues pruned to eliminate duplicates Z: 9 2.573 1.289 0.472 0.267 0.750 0.375 CB 0.833 Z: 11 10.410 2.134 0.303 0.396 0.900 0.700 CB 1.467 11 residues pruned to eliminate duplicates Z: 27 11.840 1.707 0.446 0.485 0.846 0.538 CA 1.129 27 residues pruned to eliminate duplicates Z: 7 4.655 1.533 0.376 0.508 0.833 0.500 CB 1.073 Z: 14 11.744 1.836 0.504 0.360 1.000 0.462 CB 1.372 14 residues pruned to eliminate duplicates Z: 7 2.474 1.268 0.747 0.475 0.833 0.667 CB 0.561 Z: 11 12.868 2.021 0.087 0.879 1.000 0.800 CB 1.344 11 residues pruned to eliminate duplicates Z: 13 5.075 1.558 0.562 0.385 0.750 0.583 CB 0.906 5 residues pruned to eliminate duplicates Z: 7 2.845 1.993 0.238 0.243 0.667 0.333 CB 0.950 7 residues pruned to eliminate duplicates Z: 29 13.588 1.967 0.542 0.308 0.821 0.536 CB 1.275 Z: 8 9.331 1.699 0.203 0.819 1.000 0.714 CA 1.308 8 residues pruned to eliminate duplicates Z: 16 9.659 1.809 0.508 0.439 0.933 0.333 CB 1.043 16 residues pruned to eliminate duplicates Z: 7 2.109 1.365 0.375 0.347 0.667 0.333 N 0.813 Z: 7 4.910 1.627 0.456 0.462 0.833 0.500 CB 1.056 7 residues pruned to eliminate duplicates Z: 29 18.123 1.977 0.598 0.513 0.893 0.571 CB 1.199 29 residues pruned to eliminate duplicates Z: 9 5.262 1.666 0.214 0.554 0.750 0.500 CA 1.164 Z: 10 12.887 1.846 0.526 0.877 1.000 0.778 CB 1.107 10 residues pruned to eliminate duplicates Z: 20 26.865 1.952 0.769 0.914 1.000 0.684 CB 1.262 20 residues pruned to eliminate duplicates Z: 38 14.554 2.012 0.442 0.273 0.838 0.432 CB 1.273 23 residues pruned to eliminate duplicates Z: 19 10.838 2.041 0.932 0.219 0.667 0.500 CA 1.351 19 residues pruned to eliminate duplicates Z: 9 10.895 1.737 0.598 0.624 1.000 0.625 N 1.234 Z: 7 5.025 1.650 0.396 0.524 0.833 0.667 CA 1.043 7 residues pruned to eliminate duplicates Z: 6 6.494 1.774 0.183 0.570 1.000 0.800 CB 1.293 6 residues pruned to eliminate duplicates Z: 10 2.851 1.264 0.162 0.349 0.778 0.667 CA 0.980 Z: 28 18.317 2.045 0.615 0.382 0.889 0.556 CB 1.361 19 residues pruned to eliminate duplicates Z: 8 4.236 1.464 0.254 0.360 0.857 0.429 N 1.184 8 residues pruned to eliminate duplicates Z: 13 4.937 1.744 0.166 0.179 0.833 0.500 CB 1.238 13 residues pruned to eliminate duplicates Z: 8 4.552 1.627 0.373 0.346 0.714 0.286 CB 1.275 6 1.826 1.613 -0.158 0.646 0.800 0.600 CB 0.656 ? Z: 12 18.641 1.887 0.552 0.883 1.000 0.818 CA 1.388 12 residues pruned to eliminate duplicates Z: 11 9.624 1.718 0.465 0.558 1.000 0.900 CB 1.143 12 residues pruned to eliminate duplicates Z: 12 8.726 2.041 0.230 0.416 0.909 0.636 CB 1.259 12 residues pruned to eliminate duplicates Z: 12 9.983 1.795 0.796 0.478 0.818 0.545 CA 1.167 7 residues pruned to eliminate duplicates Z: 7 4.316 1.161 0.604 0.710 1.000 0.667 CB 0.781 Z: 19 13.356 1.903 0.477 0.364 0.944 0.556 CA 1.373 19 residues pruned to eliminate duplicates Z: 15 14.117 1.988 0.457 0.630 0.857 0.857 CB 1.345 15 residues pruned to eliminate duplicates Z: 62 41.965 2.176 0.804 0.517 0.902 0.377 CB 1.492 30 residues pruned to eliminate duplicates Z: 7 5.875 1.834 0.681 0.462 1.000 0.833 CA 0.809 Z: 9 13.700 1.804 0.406 0.894 1.000 0.750 CA 1.370 7 residues pruned to eliminate duplicates Z: 9 10.829 1.741 0.566 0.884 1.000 0.750 CB 1.015 9 residues pruned to eliminate duplicates Z: 6 2.181 1.391 0.325 0.459 1.000 0.800 N 0.552 Z: 10 5.637 1.346 0.833 0.798 0.889 0.556 CB 0.660 10 residues pruned to eliminate duplicates Z: 6 2.031 1.406 0.046 0.290 0.800 0.800 CB 0.978 Z: 15 7.424 1.797 0.478 0.363 0.714 0.429 CB 1.213 7 residues pruned to eliminate duplicates Z: 16 12.452 1.977 0.357 0.448 0.867 0.667 CA 1.458 16 residues pruned to eliminate duplicates Z: 11 13.159 1.851 0.264 0.768 1.000 0.900 CA 1.403 Z: 10 4.380 1.825 0.317 0.408 0.667 0.444 CB 1.004 10 residues pruned to eliminate duplicates Z: 26 18.478 1.953 0.786 0.481 0.920 0.520 CB 1.174 26 residues pruned to eliminate duplicates Z: 6 2.670 1.390 0.627 0.469 0.600 0.400 CB 0.908 4 residues pruned to eliminate duplicates Z: 7 2.410 1.291 0.009 0.287 1.000 0.667 CB 0.961 Z: 9 5.989 1.563 0.558 0.537 1.000 0.500 N 0.839 9 residues pruned to eliminate duplicates Z: 31 14.080 1.960 0.461 0.333 0.800 0.433 CB 1.347 31 residues pruned to eliminate duplicates Z: 9 5.513 1.868 0.440 0.477 0.750 0.375 CA 0.989 Z: 13 8.375 1.709 0.579 0.396 0.833 0.583 CB 1.199 8 residues pruned to eliminate duplicates Z: 16 13.166 1.823 0.726 0.520 0.867 0.533 CB 1.222 16 residues pruned to eliminate duplicates Z: 8 5.470 1.704 0.433 0.420 1.000 0.571 CB 0.921 9 residues pruned to eliminate duplicates Z: 7 3.136 1.311 0.565 0.535 0.667 0.667 CB 0.904 7 residues pruned to eliminate duplicates Z: 11 7.781 1.907 0.591 0.376 0.800 0.500 CA 1.157 11 residues pruned to eliminate duplicates Z: 13 8.064 1.615 0.692 0.316 0.917 0.583 CB 1.139 13 residues pruned to eliminate duplicates Z: 6 3.057 1.255 0.031 0.634 1.000 0.400 O 0.932 Z: 11 15.400 2.219 0.145 0.771 1.000 0.900 CB 1.509 11 residues pruned to eliminate duplicates Z: 40 27.866 1.920 0.601 0.667 0.949 0.667 CA 1.311 40 residues pruned to eliminate duplicates Z: 8 3.136 1.385 0.538 0.401 0.571 0.286 CB 1.081 Z: 19 10.691 1.712 0.643 0.400 0.778 0.500 CB 1.280 19 residues pruned to eliminate duplicates Z: 10 6.062 1.551 0.359 0.569 0.889 0.778 N 1.009 Z: 18 12.955 1.871 0.376 0.301 1.000 0.471 CB 1.524 18 residues pruned to eliminate duplicates Z: 12 12.970 1.945 0.864 0.504 0.909 0.636 CA 1.182 12 residues pruned to eliminate duplicates Z: 13 18.476 2.134 0.534 0.787 0.917 0.917 CB 1.381 16 residues pruned to eliminate duplicates Z: 6 3.648 1.442 0.243 0.600 0.800 0.400 CB 1.034 Z: 15 11.308 1.990 0.675 0.387 0.786 0.643 CA 1.302 15 residues pruned to eliminate duplicates Z: 15 16.409 1.805 0.622 0.775 0.929 0.500 CA 1.265 15 residues pruned to eliminate duplicates Z: 11 15.417 1.686 1.013 0.876 0.900 0.700 CB 1.160 11 residues pruned to eliminate duplicates Z: 18 26.698 2.048 0.979 0.937 1.000 0.706 CB 1.112 18 residues pruned to eliminate duplicates Z: 9 2.276 1.609 -0.228 0.278 0.875 0.375 CB 0.950 Z: 23 9.786 1.809 0.399 0.350 0.909 0.500 CA 1.067 23 residues pruned to eliminate duplicates Z: 8 2.303 1.655 0.409 0.238 0.571 0.286 CB 0.885 8 residues pruned to eliminate duplicates Z: 9 3.172 1.422 -0.060 0.456 1.000 0.500 CB 0.877 Z: 7 2.367 1.587 0.265 0.266 0.667 0.500 N 0.943 Z: 9 5.267 1.694 0.386 0.450 0.750 0.625 CA 1.114 9 residues pruned to eliminate duplicates Z: 23 34.917 2.180 0.835 0.741 0.955 0.455 CB 1.571 39 residues pruned to eliminate duplicates Z: 11 11.814 1.903 0.418 0.450 1.000 0.700 CA 1.458 11 residues pruned to eliminate duplicates 6 1.972 1.401 0.243 0.298 0.600 0.600 CA 1.057 ? 6 1.652 1.155 0.965 0.298 0.800 0.600 CB 0.510 ? Z: 10 2.932 1.275 0.257 0.288 0.778 0.222 CB 0.995 Z: 20 15.161 1.944 0.478 0.604 0.895 0.684 CB 1.226 14 residues pruned to eliminate duplicates Z: 7 2.253 1.212 0.591 0.280 0.667 0.500 C 0.918 Z: 12 5.965 1.649 0.512 0.454 0.818 0.455 CA 0.924 12 residues pruned to eliminate duplicates Z: 6 4.916 1.405 0.389 0.660 1.000 0.800 N 0.971 Z: 8 3.307 1.641 -0.162 0.564 0.857 0.857 CB 0.997 8 residues pruned to eliminate duplicates Z: 35 12.884 1.913 0.308 0.336 0.824 0.382 CB 1.281 35 residues pruned to eliminate duplicates Z: 13 6.402 1.729 0.677 0.263 0.667 0.333 N 1.254 13 residues pruned to eliminate duplicates Z: 8 3.105 1.438 0.346 0.334 0.857 0.571 CB 0.848 Z: 29 15.405 1.991 0.433 0.356 0.929 0.607 CB 1.283 30 residues pruned to eliminate duplicates Z: 18 8.005 1.694 0.524 0.372 0.882 0.412 CB 0.978 14 residues pruned to eliminate duplicates Z: 12 6.507 1.566 0.693 0.294 0.909 0.636 CB 1.025 Z: 7 5.471 1.653 0.614 0.605 1.000 0.833 CB 0.758 7 residues pruned to eliminate duplicates Z: 8 5.054 1.605 0.257 0.495 1.000 0.571 CB 0.951 6 1.985 1.106 0.634 0.328 0.600 0.400 N 0.989 ? Z: 20 11.183 1.800 0.328 0.374 1.000 0.474 CB 1.228 20 residues pruned to eliminate duplicates Z: 32 21.374 1.993 0.671 0.435 0.968 0.677 CB 1.273 28 residues pruned to eliminate duplicates Z: 10 3.964 1.265 0.662 0.420 0.778 0.556 CA 0.879 Z: 21 12.804 1.882 0.413 0.377 0.950 0.600 CA 1.293 21 residues pruned to eliminate duplicates Z: 14 12.522 1.746 0.685 0.533 0.923 0.769 CA 1.238 14 residues pruned to eliminate duplicates Z: 20 10.766 1.951 0.227 0.382 0.789 0.579 CA 1.482 20 residues pruned to eliminate duplicates Z: 7 5.449 1.977 0.120 0.252 0.833 0.500 CA 1.603 7 residues pruned to eliminate duplicates Z: 24 12.017 1.968 0.413 0.395 0.739 0.435 CB 1.363 24 residues pruned to eliminate duplicates Z: 15 9.583 1.829 0.454 0.413 0.929 0.643 CB 1.136 19 residues pruned to eliminate duplicates Z: 41 23.389 2.017 0.658 0.470 0.900 0.650 CB 1.267 41 residues pruned to eliminate duplicates Z: 15 4.553 1.599 0.252 0.258 0.857 0.357 CB 0.935 Z: 12 7.217 1.947 0.366 0.227 0.818 0.455 CA 1.376 12 residues pruned to eliminate duplicates Z: 14 7.942 1.602 0.408 0.340 0.923 0.462 CA 1.260 14 residues pruned to eliminate duplicates Z: 9 3.480 1.514 0.232 0.305 0.750 0.500 C 1.093 Z: 11 9.078 1.807 0.273 0.539 0.900 0.600 CB 1.334 11 residues pruned to eliminate duplicates Z: 6 4.542 1.459 0.348 0.451 1.000 0.400 CB 1.086 Z: 20 13.494 1.961 0.383 0.467 0.947 0.632 CA 1.246 20 residues pruned to eliminate duplicates 6 1.933 1.196 0.323 0.433 0.800 0.600 CB 0.732 ? Z: 8 4.436 1.503 0.153 0.442 1.000 0.429 C 1.027 Z: 8 3.433 1.293 0.499 0.338 0.857 0.429 CB 0.931 10 residues pruned to eliminate duplicates Z: 18 12.924 1.865 0.525 0.326 1.000 0.588 CA 1.335 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 6.451 1.778 0.670 0.599 0.800 0.400 CA 1.105 6 residues pruned to eliminate duplicates Z: 21 11.202 1.840 0.429 0.294 0.950 0.550 CA 1.264 21 residues pruned to eliminate duplicates Z: 21 11.331 1.848 0.429 0.309 0.900 0.700 CA 1.317 21 residues pruned to eliminate duplicates Z: 21 12.143 1.818 0.442 0.362 0.950 0.650 CA 1.265 21 residues pruned to eliminate duplicates Z: 32 14.763 1.934 0.462 0.320 0.774 0.548 CA 1.477 30 residues pruned to eliminate duplicates Z: 7 3.493 1.619 0.214 0.321 0.833 0.333 CA 1.061 7 residues pruned to eliminate duplicates Z: 28 14.495 1.880 0.416 0.332 0.926 0.481 CB 1.360 28 residues pruned to eliminate duplicates Z: 20 10.800 1.917 0.340 0.341 0.895 0.474 CA 1.283 20 residues pruned to eliminate duplicates Z: 20 11.714 1.887 0.342 0.322 0.947 0.579 CA 1.362 20 residues pruned to eliminate duplicates Z: 28 8.105 1.717 0.335 0.237 0.778 0.407 CA 1.187 28 residues pruned to eliminate duplicates Z: 21 10.817 1.861 0.398 0.301 0.900 0.600 CA 1.289 21 residues pruned to eliminate duplicates Z: 14 10.413 1.986 0.462 0.271 0.923 0.462 CA 1.397 14 residues pruned to eliminate duplicates Z: 21 9.967 1.830 0.374 0.292 0.850 0.500 CA 1.317 21 residues pruned to eliminate duplicates Z: 34 13.544 1.920 0.347 0.262 0.818 0.424 CB 1.461 34 residues pruned to eliminate duplicates Z: 33 13.915 1.897 0.335 0.324 0.844 0.531 CA 1.396 33 residues pruned to eliminate duplicates Z: 28 13.520 2.037 0.429 0.272 0.778 0.556 CA 1.488 28 residues pruned to eliminate duplicates Z: 29 10.329 1.880 0.327 0.270 0.750 0.321 CB 1.355 29 residues pruned to eliminate duplicates Z: 35 15.182 1.925 0.433 0.300 0.824 0.471 CB 1.433 35 residues pruned to eliminate duplicates Z: 12 10.379 2.059 0.499 0.319 0.818 0.455 CB 1.513 12 residues pruned to eliminate duplicates Z: 33 14.419 1.939 0.357 0.301 0.812 0.469 CB 1.488 33 residues pruned to eliminate duplicates Z: 32 13.321 1.906 0.414 0.273 0.806 0.419 CB 1.425 32 residues pruned to eliminate duplicates Z: 10 9.748 2.140 0.758 0.356 0.667 0.444 CB 1.514 10 residues pruned to eliminate duplicates Z: 12 8.396 2.023 0.551 0.297 0.636 0.364 CB 1.591 12 residues pruned to eliminate duplicates Z: 34 14.663 1.916 0.329 0.294 0.879 0.455 CB 1.435 34 residues pruned to eliminate duplicates Z: 10 10.659 2.162 0.806 0.455 0.778 0.556 CB 1.225 10 residues pruned to eliminate duplicates Z: 16 11.197 2.043 0.650 0.317 0.800 0.400 CB 1.312 16 residues pruned to eliminate duplicates Z: 16 12.026 2.058 0.719 0.323 0.800 0.400 CB 1.333 16 residues pruned to eliminate duplicates Z: 38 15.226 1.966 0.378 0.300 0.811 0.514 CB 1.424 38 residues pruned to eliminate duplicates Z: 8 5.693 1.688 0.789 0.261 0.857 0.429 CB 1.093 8 residues pruned to eliminate duplicates Z: 12 5.489 1.738 0.512 0.278 0.727 0.364 CB 1.114 12 residues pruned to eliminate duplicates Z: 6 6.722 1.554 0.852 0.380 1.000 0.600 CB 1.187 6 residues pruned to eliminate duplicates Z: 14 5.543 1.633 0.623 0.171 0.769 0.385 CB 1.124 14 residues pruned to eliminate duplicates Z: 12 8.660 1.811 0.725 0.239 0.909 0.273 CB 1.244 11 residues pruned to eliminate duplicates Z: 7 3.420 1.490 0.362 0.411 0.833 0.333 CA 0.906 7 residues pruned to eliminate duplicates Z: 9 10.651 1.912 0.440 0.612 0.875 0.875 CA 1.406 9 residues pruned to eliminate duplicates Z: 9 13.907 1.926 0.442 0.703 0.875 0.875 CB 1.681 14 residues pruned to eliminate duplicates Z: 7 2.564 1.495 0.431 0.281 0.667 0.500 CA 0.940 7 residues pruned to eliminate duplicates Z: 13 10.848 1.881 0.533 0.483 0.833 0.583 CA 1.326 13 residues pruned to eliminate duplicates Z: 23 13.659 1.857 0.482 0.536 0.773 0.591 CB 1.321 42 residues pruned to eliminate duplicates Z: 13 12.264 1.881 0.594 0.537 0.833 0.750 CA 1.366 9 residues pruned to eliminate duplicates Z: 6 2.819 1.389 0.777 0.298 0.800 0.600 N 0.800 6 residues pruned to eliminate duplicates Z: 12 15.091 2.014 0.525 0.672 0.909 0.636 CB 1.391 12 residues pruned to eliminate duplicates 6 1.809 1.321 0.519 0.640 1.000 0.800 CB 0.354 ? Z: 6 4.343 1.226 0.484 0.489 1.000 0.400 O 1.080 6 residues pruned to eliminate duplicates Z: 11 13.402 1.981 0.474 0.694 0.900 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 8 6.051 1.523 0.318 0.530 1.000 0.429 N 1.105 9 residues pruned to eliminate duplicates Z: 7 7.377 1.598 0.364 0.771 1.000 0.833 N 1.088 7 residues pruned to eliminate duplicates Z: 8 11.432 1.961 0.372 0.736 0.857 0.571 CA 1.516 9 residues pruned to eliminate duplicates Z: 6 5.093 1.675 0.404 0.443 1.000 0.800 CA 1.027 6 residues pruned to eliminate duplicates Z: 14 10.624 1.983 0.374 0.406 1.000 0.769 CB 1.193 14 residues pruned to eliminate duplicates Z: 6 7.079 1.670 0.835 0.336 1.000 0.800 CB 1.236 6 residues pruned to eliminate duplicates Z: 15 10.211 1.955 0.294 0.444 0.929 0.571 CB 1.231 15 residues pruned to eliminate duplicates Z: 17 9.143 1.788 0.374 0.434 0.938 0.438 CB 1.063 17 residues pruned to eliminate duplicates Z: 16 7.050 1.844 0.204 0.379 0.867 0.400 CB 1.076 16 residues pruned to eliminate duplicates Z: 13 9.615 1.954 0.342 0.433 0.833 0.500 CB 1.361 13 residues pruned to eliminate duplicates Z: 12 9.207 2.020 0.268 0.479 0.909 0.636 CB 1.218 12 residues pruned to eliminate duplicates Z: 16 7.983 1.875 0.580 0.402 0.733 0.400 CB 1.052 16 residues pruned to eliminate duplicates Z: 18 7.416 1.809 0.272 0.324 0.882 0.353 CB 1.075 18 residues pruned to eliminate duplicates Z: 16 8.923 1.811 0.439 0.362 0.867 0.533 CB 1.184 16 residues pruned to eliminate duplicates Z: 6 2.040 1.376 0.806 0.332 0.800 0.400 CA 0.552 6 residues pruned to eliminate duplicates Z: 15 11.617 1.839 0.660 0.447 0.857 0.643 CB 1.252 16 residues pruned to eliminate duplicates Z: 6 2.744 1.377 0.791 0.394 0.800 0.400 N 0.696 6 residues pruned to eliminate duplicates Z: 16 7.313 1.772 0.546 0.404 0.800 0.533 CB 0.953 16 residues pruned to eliminate duplicates Z: 17 10.148 1.697 0.595 0.376 0.875 0.438 CA 1.223 17 residues pruned to eliminate duplicates Z: 16 13.862 1.949 0.557 0.404 0.933 0.533 CB 1.398 16 residues pruned to eliminate duplicates Z: 13 12.497 1.932 0.395 0.377 1.000 0.583 CB 1.526 13 residues pruned to eliminate duplicates Z: 30 12.476 1.796 0.487 0.335 0.828 0.552 CB 1.254 27 residues pruned to eliminate duplicates Z: 8 8.700 1.454 0.745 0.786 0.857 0.714 CB 1.176 Z: 9 10.834 1.711 0.630 0.589 0.875 0.500 C 1.441 17 residues pruned to eliminate duplicates Z: 17 12.362 1.870 0.481 0.386 0.938 0.438 CB 1.344 17 residues pruned to eliminate duplicates Z: 19 17.224 1.895 0.633 0.451 0.944 0.611 N 1.460 19 residues pruned to eliminate duplicates Z: 20 14.295 1.866 0.538 0.465 0.947 0.737 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 11.987 1.902 0.416 0.434 0.889 0.444 CB 1.264 19 residues pruned to eliminate duplicates Z: 17 13.811 1.926 0.576 0.418 0.938 0.562 CB 1.322 17 residues pruned to eliminate duplicates Z: 16 14.108 1.958 0.476 0.444 0.933 0.533 CB 1.431 16 residues pruned to eliminate duplicates Z: 17 14.806 1.859 0.682 0.446 0.938 0.500 CA 1.335 17 residues pruned to eliminate duplicates Z: 18 11.899 1.905 0.452 0.374 0.941 0.588 CB 1.268 18 residues pruned to eliminate duplicates Z: 32 17.451 1.861 0.668 0.457 0.839 0.645 CB 1.258 19 residues pruned to eliminate duplicates Z: 6 5.431 1.515 0.786 0.457 1.000 0.400 CA 0.938 Z: 8 5.428 1.298 0.233 0.707 1.000 0.429 CA 1.062 8 residues pruned to eliminate duplicates Z: 18 13.808 1.872 0.503 0.526 0.941 0.824 CA 1.232 18 residues pruned to eliminate duplicates Z: 24 12.533 1.879 0.305 0.420 0.870 0.696 CB 1.332 24 residues pruned to eliminate duplicates Z: 30 14.765 1.964 0.383 0.396 0.828 0.552 CB 1.361 30 residues pruned to eliminate duplicates Z: 13 13.538 1.850 0.794 0.618 0.833 0.667 CA 1.263 13 residues pruned to eliminate duplicates Z: 16 13.781 1.890 0.535 0.634 0.933 0.733 CA 1.159 23 residues pruned to eliminate duplicates Z: 19 12.470 1.801 0.605 0.546 0.889 0.667 CA 1.094 19 residues pruned to eliminate duplicates Z: 15 10.430 1.785 0.527 0.492 0.786 0.571 CA 1.312 15 residues pruned to eliminate duplicates Z: 23 10.921 1.764 0.374 0.365 0.864 0.636 CB 1.285 23 residues pruned to eliminate duplicates Z: 22 11.678 1.936 0.325 0.398 0.810 0.714 CA 1.367 22 residues pruned to eliminate duplicates Z: 13 13.638 1.913 0.442 0.581 0.917 0.833 CA 1.440 13 residues pruned to eliminate duplicates Z: 29 13.313 1.953 0.364 0.379 0.821 0.607 CB 1.309 10 residues pruned to eliminate duplicates Z: 6 3.230 1.878 0.595 0.186 0.600 0.200 CB 1.172 3 residues pruned to eliminate duplicates Z: 7 4.529 1.482 0.780 0.395 0.833 0.500 N 0.940 7 residues pruned to eliminate duplicates Z: 9 2.220 1.655 0.496 0.126 0.750 0.250 CB 0.676 9 residues pruned to eliminate duplicates Z: 13 24.510 1.990 1.056 0.696 1.000 0.417 CA 1.446 13 residues pruned to eliminate duplicates Z: 35 20.625 1.952 0.611 0.442 0.882 0.500 CA 1.354 35 residues pruned to eliminate duplicates Z: 13 13.193 1.916 0.717 0.674 0.833 0.583 CA 1.184 13 residues pruned to eliminate duplicates Z: 7 5.508 1.995 0.736 0.340 0.833 0.500 CA 0.928 7 residues pruned to eliminate duplicates Z: 19 12.261 2.037 0.501 0.307 0.833 0.444 CA 1.406 19 residues pruned to eliminate duplicates Z: 19 13.159 1.926 0.598 0.345 0.833 0.500 CA 1.430 19 residues pruned to eliminate duplicates Z: 18 11.634 2.079 0.440 0.348 0.765 0.529 CA 1.454 18 residues pruned to eliminate duplicates Z: 18 14.144 2.139 0.411 0.352 0.882 0.412 CA 1.512 18 residues pruned to eliminate duplicates Z: 19 11.173 2.004 0.340 0.299 0.833 0.500 CA 1.473 19 residues pruned to eliminate duplicates Z: 25 13.211 1.991 0.356 0.304 0.917 0.542 CA 1.356 25 residues pruned to eliminate duplicates Z: 20 14.415 2.053 0.476 0.282 0.895 0.474 CA 1.560 20 residues pruned to eliminate duplicates Z: 19 12.759 1.907 0.615 0.387 0.833 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 19 10.696 2.025 0.530 0.311 0.778 0.500 CA 1.290 19 residues pruned to eliminate duplicates Z: 14 11.837 2.036 0.581 0.321 0.769 0.462 CA 1.616 14 residues pruned to eliminate duplicates Z: 20 13.079 1.955 0.569 0.331 0.789 0.632 CA 1.491 20 residues pruned to eliminate duplicates Z: 15 11.236 1.974 0.741 0.308 0.714 0.357 CA 1.514 15 residues pruned to eliminate duplicates Z: 10 11.126 2.058 0.588 0.399 0.778 0.667 CA 1.623 10 residues pruned to eliminate duplicates Z: 15 10.887 1.945 0.417 0.292 0.857 0.357 CB 1.554 15 residues pruned to eliminate duplicates Z: 12 14.117 2.159 0.572 0.379 0.909 0.364 CB 1.570 12 residues pruned to eliminate duplicates Z: 13 10.972 1.925 0.539 0.414 0.750 0.500 CB 1.559 13 residues pruned to eliminate duplicates Z: 12 11.460 2.082 0.621 0.398 0.727 0.636 CB 1.567 12 residues pruned to eliminate duplicates Z: 25 17.601 2.115 0.617 0.381 0.833 0.583 CA 1.431 25 residues pruned to eliminate duplicates Z: 43 30.622 2.006 0.645 0.582 0.952 0.595 CA 1.389 48 residues pruned to eliminate duplicates Z: 6 2.535 1.657 0.680 0.251 0.800 0.400 CA 0.678 6 residues pruned to eliminate duplicates Z: 36 27.860 2.062 0.618 0.572 0.943 0.629 CA 1.396 36 residues pruned to eliminate duplicates Z: 39 27.583 1.940 0.544 0.551 1.000 0.658 CA 1.421 39 residues pruned to eliminate duplicates Z: 68 33.497 2.000 0.501 0.571 0.940 0.597 CA 1.354 68 residues pruned to eliminate duplicates Z: 34 29.689 2.069 0.751 0.585 0.939 0.545 CA 1.400 34 residues pruned to eliminate duplicates Z: 36 25.876 2.037 0.564 0.602 0.943 0.657 CA 1.322 36 residues pruned to eliminate duplicates Z: 42 29.051 2.008 0.472 0.667 0.976 0.707 CA 1.347 42 residues pruned to eliminate duplicates Z: 34 25.049 2.021 0.521 0.631 0.970 0.697 CA 1.293 34 residues pruned to eliminate duplicates Z: 42 32.801 2.029 0.583 0.686 0.976 0.659 CA 1.378 42 residues pruned to eliminate duplicates Z: 34 30.670 2.057 0.599 0.642 1.000 0.667 CA 1.421 34 residues pruned to eliminate duplicates Z: 37 28.171 1.986 0.562 0.614 0.972 0.583 CA 1.398 37 residues pruned to eliminate duplicates Z: 41 36.580 2.057 0.626 0.716 0.975 0.750 CA 1.458 41 residues pruned to eliminate duplicates Z: 36 25.376 2.040 0.512 0.609 0.886 0.686 CA 1.415 36 residues pruned to eliminate duplicates Z: 46 33.408 2.042 0.620 0.672 0.933 0.622 CA 1.377 46 residues pruned to eliminate duplicates Z: 35 26.014 2.057 0.494 0.621 0.941 0.588 CA 1.376 35 residues pruned to eliminate duplicates Z: 44 30.602 1.979 0.652 0.662 0.884 0.581 CA 1.390 44 residues pruned to eliminate duplicates Z: 35 28.574 2.061 0.619 0.610 0.912 0.471 CA 1.451 35 residues pruned to eliminate duplicates Z: 34 31.021 2.021 0.692 0.652 1.000 0.697 CA 1.370 38 residues pruned to eliminate duplicates Z: 19 25.125 2.024 0.681 0.888 0.889 0.556 CA 1.411 19 residues pruned to eliminate duplicates Z: 48 31.823 2.033 0.682 0.521 0.872 0.532 CA 1.524 36 residues pruned to eliminate duplicates Z: 20 35.230 2.072 0.819 0.926 1.000 0.895 CA 1.504 20 residues pruned to eliminate duplicates Z: 40 38.056 2.034 0.803 0.687 0.949 0.487 CA 1.476 40 residues pruned to eliminate duplicates Z: 31 35.698 2.082 0.707 0.782 0.933 0.533 CA 1.533 31 residues pruned to eliminate duplicates Z: 34 40.675 2.091 0.752 0.750 0.970 0.636 CA 1.595 34 residues pruned to eliminate duplicates Z: 35 34.879 2.001 0.702 0.722 0.971 0.559 CA 1.481 35 residues pruned to eliminate duplicates Z: 39 25.632 1.978 0.562 0.577 0.921 0.684 CA 1.356 39 residues pruned to eliminate duplicates Z: 45 31.737 1.990 0.689 0.602 0.955 0.523 CA 1.354 45 residues pruned to eliminate duplicates Z: 44 33.109 1.972 0.616 0.700 1.000 0.605 CA 1.321 44 residues pruned to eliminate duplicates Z: 35 30.969 2.026 0.632 0.638 0.941 0.588 CA 1.500 35 residues pruned to eliminate duplicates Z: 20 17.059 1.874 0.534 0.598 0.947 0.526 CA 1.309 20 residues pruned to eliminate duplicates Z: 43 35.009 1.974 0.731 0.709 0.976 0.690 CA 1.339 43 residues pruned to eliminate duplicates Z: 55 38.832 2.043 0.840 0.599 0.870 0.500 CA 1.470 54 residues pruned to eliminate duplicates Z: 10 13.418 1.942 0.483 0.883 0.889 0.889 CA 1.263 10 residues pruned to eliminate duplicates Z: 15 11.576 2.024 0.296 0.528 0.857 0.429 CA 1.338 14 residues pruned to eliminate duplicates Z: 10 11.698 1.819 0.783 0.748 0.889 0.778 CA 1.083 10 residues pruned to eliminate duplicates Z: 38 23.161 1.968 0.618 0.450 0.865 0.459 CA 1.457 38 residues pruned to eliminate duplicates Z: 17 16.588 2.038 0.353 0.578 0.938 0.500 CA 1.489 17 residues pruned to eliminate duplicates Z: 25 18.027 2.023 0.500 0.449 0.833 0.500 CA 1.532 25 residues pruned to eliminate duplicates Z: 19 8.843 1.702 0.397 0.491 0.778 0.389 CB 1.137 13 residues pruned to eliminate duplicates Z: 12 12.427 1.846 0.818 0.627 0.818 0.636 CA 1.211 12 residues pruned to eliminate duplicates Z: 37 19.735 1.952 0.538 0.416 0.889 0.472 CA 1.346 37 residues pruned to eliminate duplicates Z: 13 10.137 1.806 0.492 0.559 0.917 0.583 CA 1.119 13 residues pruned to eliminate duplicates Z: 20 15.849 2.003 0.431 0.352 0.947 0.474 CB 1.572 26 residues pruned to eliminate duplicates Z: 6 5.329 1.414 0.545 0.735 1.000 0.800 CA 0.883 6 residues pruned to eliminate duplicates Z: 16 14.500 1.984 0.391 0.354 1.000 0.533 CB 1.590 16 residues pruned to eliminate duplicates Z: 50 18.882 1.975 0.434 0.305 0.878 0.531 CB 1.348 53 residues pruned to eliminate duplicates Z: 6 4.379 1.584 0.393 0.378 0.800 0.800 N 1.263 6 residues pruned to eliminate duplicates Z: 19 17.212 1.899 0.587 0.372 1.000 0.444 CA 1.544 19 residues pruned to eliminate duplicates Z: 20 13.176 1.925 0.492 0.329 0.895 0.579 CB 1.419 20 residues pruned to eliminate duplicates Z: 22 14.089 1.942 0.493 0.368 0.857 0.381 CB 1.425 22 residues pruned to eliminate duplicates Z: 19 16.848 1.996 0.469 0.351 1.000 0.611 CB 1.592 19 residues pruned to eliminate duplicates Z: 20 15.906 2.000 0.454 0.347 1.000 0.526 CB 1.481 20 residues pruned to eliminate duplicates Z: 22 12.493 1.873 0.400 0.336 0.952 0.524 CB 1.306 22 residues pruned to eliminate duplicates Z: 21 13.538 1.896 0.508 0.314 1.000 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 25 16.955 1.824 0.567 0.380 0.958 0.500 CB 1.436 25 residues pruned to eliminate duplicates Z: 19 15.886 1.986 0.407 0.327 1.000 0.611 CB 1.620 19 residues pruned to eliminate duplicates Z: 21 15.900 1.939 0.551 0.344 0.950 0.500 CB 1.474 21 residues pruned to eliminate duplicates Z: 22 16.271 1.965 0.508 0.372 0.952 0.524 CB 1.442 22 residues pruned to eliminate duplicates Z: 23 14.924 1.902 0.458 0.380 0.955 0.591 CB 1.366 20 residues pruned to eliminate duplicates Z: 6 4.466 1.542 0.538 0.383 1.000 0.600 CA 0.954 6 residues pruned to eliminate duplicates Z: 48 22.572 1.996 0.567 0.396 0.957 0.617 CB 1.227 48 residues pruned to eliminate duplicates Z: 48 22.810 2.000 0.582 0.383 0.936 0.574 CB 1.272 48 residues pruned to eliminate duplicates Z: 7 6.572 1.814 0.659 0.424 1.000 0.333 CA 0.965 7 residues pruned to eliminate duplicates Z: 24 12.332 1.891 0.386 0.359 0.957 0.565 CB 1.194 24 residues pruned to eliminate duplicates Z: 18 10.851 1.927 0.397 0.340 0.941 0.588 CA 1.236 18 residues pruned to eliminate duplicates Z: 20 10.678 1.948 0.491 0.272 0.895 0.526 CB 1.221 20 residues pruned to eliminate duplicates Z: 22 12.092 1.933 0.334 0.334 1.000 0.667 CA 1.227 22 residues pruned to eliminate duplicates Z: 43 20.963 2.017 0.472 0.472 0.881 0.619 CB 1.273 43 residues pruned to eliminate duplicates Z: 24 9.471 1.841 0.287 0.289 0.913 0.522 CB 1.157 24 residues pruned to eliminate duplicates Z: 19 12.386 1.846 0.486 0.329 1.000 0.556 CB 1.284 19 residues pruned to eliminate duplicates Z: 34 18.921 2.017 0.595 0.366 0.879 0.515 CB 1.346 34 residues pruned to eliminate duplicates Z: 23 10.505 1.874 0.406 0.297 0.909 0.591 CB 1.172 23 residues pruned to eliminate duplicates Z: 24 9.529 1.844 0.506 0.301 0.826 0.391 CA 1.081 24 residues pruned to eliminate duplicates Z: 23 11.905 1.954 0.365 0.340 0.955 0.545 CB 1.186 23 residues pruned to eliminate duplicates Z: 31 21.744 2.021 0.678 0.512 0.900 0.600 CB 1.285 30 residues pruned to eliminate duplicates Z: 6 6.081 1.635 1.412 0.289 0.800 0.600 CA 1.092 6 residues pruned to eliminate duplicates Z: 17 16.947 2.016 0.843 0.499 0.875 0.625 CB 1.305 17 residues pruned to eliminate duplicates Z: 50 24.719 1.960 0.506 0.426 0.939 0.551 CB 1.376 49 residues pruned to eliminate duplicates Z: 6 2.727 1.485 0.693 0.272 0.600 0.400 CA 1.047 6 residues pruned to eliminate duplicates Z: 29 19.866 2.022 0.740 0.486 0.857 0.571 CB 1.262 29 residues pruned to eliminate duplicates Z: 27 23.338 2.098 0.702 0.523 0.923 0.615 CB 1.357 27 residues pruned to eliminate duplicates Z: 32 17.693 1.968 0.758 0.413 0.839 0.613 CB 1.200 32 residues pruned to eliminate duplicates Z: 31 19.945 2.012 0.688 0.453 0.933 0.567 CB 1.206 31 residues pruned to eliminate duplicates Z: 28 21.136 2.014 0.664 0.536 0.926 0.630 CB 1.266 28 residues pruned to eliminate duplicates Z: 30 19.888 1.999 0.750 0.476 0.897 0.517 CB 1.207 30 residues pruned to eliminate duplicates Z: 29 22.440 2.059 0.677 0.505 0.929 0.607 CB 1.316 29 residues pruned to eliminate duplicates Z: 24 23.182 2.095 0.767 0.530 0.957 0.522 CB 1.325 24 residues pruned to eliminate duplicates Z: 27 23.999 2.105 0.734 0.525 0.923 0.654 CB 1.362 29 residues pruned to eliminate duplicates Z: 7 3.669 1.547 0.610 0.357 0.833 0.333 CB 0.842 7 residues pruned to eliminate duplicates Z: 26 20.449 1.959 0.742 0.529 0.920 0.520 CB 1.266 26 residues pruned to eliminate duplicates Z: 28 21.275 2.079 0.736 0.456 0.889 0.556 CB 1.335 28 residues pruned to eliminate duplicates Z: 8 2.383 1.433 0.445 0.393 0.714 0.571 CA 0.682 8 residues pruned to eliminate duplicates Z: 12 13.689 2.008 0.647 0.484 0.909 0.455 CA 1.395 28 residues pruned to eliminate duplicates Z: 7 3.560 1.292 0.456 0.401 1.000 0.000 N 0.858 7 residues pruned to eliminate duplicates Z: 13 12.706 1.939 0.569 0.480 0.917 0.583 CB 1.343 11 residues pruned to eliminate duplicates Z: 6 4.454 1.679 0.523 0.360 0.800 0.600 CA 1.133 Z: 6 6.971 1.869 0.287 0.337 1.000 0.400 CA 1.548 6 residues pruned to eliminate duplicates Z: 26 17.206 2.032 0.417 0.377 0.920 0.520 CB 1.482 26 residues pruned to eliminate duplicates Z: 20 17.118 2.029 0.589 0.375 0.947 0.474 CB 1.468 20 residues pruned to eliminate duplicates Z: 24 16.161 2.090 0.577 0.321 0.826 0.435 CB 1.507 24 residues pruned to eliminate duplicates Z: 31 16.182 2.056 0.365 0.344 0.900 0.533 CB 1.386 31 residues pruned to eliminate duplicates Z: 34 13.723 2.014 0.308 0.329 0.788 0.424 CB 1.387 34 residues pruned to eliminate duplicates Z: 27 15.952 2.040 0.424 0.362 0.846 0.500 CB 1.477 27 residues pruned to eliminate duplicates Z: 32 20.786 2.064 0.426 0.400 0.935 0.452 CB 1.507 32 residues pruned to eliminate duplicates Z: 17 11.355 1.995 0.421 0.370 0.750 0.375 CB 1.535 17 residues pruned to eliminate duplicates Z: 32 19.877 2.076 0.422 0.376 0.871 0.484 CB 1.584 32 residues pruned to eliminate duplicates Z: 16 13.280 2.034 0.474 0.413 0.867 0.667 CA 1.446 16 residues pruned to eliminate duplicates Z: 15 11.929 2.126 0.386 0.375 0.786 0.429 CB 1.575 15 residues pruned to eliminate duplicates Z: 31 17.610 2.050 0.395 0.356 0.867 0.500 CB 1.516 31 residues pruned to eliminate duplicates Z: 12 14.040 2.132 0.506 0.383 0.909 0.545 CB 1.642 12 residues pruned to eliminate duplicates Z: 15 14.713 2.055 0.385 0.369 0.929 0.571 CA 1.713 15 residues pruned to eliminate duplicates Z: 13 13.053 2.222 0.387 0.362 0.833 0.417 CA 1.701 13 residues pruned to eliminate duplicates Z: 15 10.819 2.120 0.379 0.346 0.786 0.571 CB 1.488 15 residues pruned to eliminate duplicates Z: 18 10.270 1.969 0.372 0.275 0.824 0.588 CA 1.446 18 residues pruned to eliminate duplicates Z: 25 12.629 2.132 0.374 0.289 0.750 0.458 CB 1.487 25 residues pruned to eliminate duplicates Z: 30 12.159 2.023 0.480 0.272 0.793 0.414 CB 1.231 30 residues pruned to eliminate duplicates Z: 34 18.145 2.016 0.596 0.383 0.818 0.485 CB 1.359 34 residues pruned to eliminate duplicates Z: 21 9.054 1.996 0.595 0.181 0.750 0.350 CB 1.246 21 residues pruned to eliminate duplicates Z: 28 12.942 2.063 0.528 0.300 0.741 0.370 CB 1.334 28 residues pruned to eliminate duplicates Z: 28 14.447 2.053 0.457 0.306 0.815 0.407 CB 1.416 28 residues pruned to eliminate duplicates Z: 19 8.822 2.083 0.389 0.266 0.778 0.278 CB 1.207 19 residues pruned to eliminate duplicates Z: 12 6.987 2.044 0.528 0.282 0.636 0.364 CB 1.357 12 residues pruned to eliminate duplicates Z: 35 14.036 2.064 0.352 0.291 0.794 0.324 CB 1.373 35 residues pruned to eliminate duplicates Z: 21 9.580 1.999 0.493 0.179 0.800 0.400 CA 1.321 21 residues pruned to eliminate duplicates Z: 19 9.174 2.017 0.340 0.237 0.833 0.222 CB 1.303 19 residues pruned to eliminate duplicates Z: 18 9.608 1.868 0.340 0.373 0.882 0.529 CB 1.209 18 residues pruned to eliminate duplicates Z: 18 9.567 1.871 0.500 0.350 0.824 0.353 CB 1.181 18 residues pruned to eliminate duplicates Z: 24 8.865 2.014 0.459 0.204 0.696 0.261 CB 1.284 24 residues pruned to eliminate duplicates Z: 44 18.726 2.021 0.279 0.451 0.860 0.581 CB 1.351 44 residues pruned to eliminate duplicates Z: 19 10.481 2.006 0.452 0.214 0.833 0.500 CB 1.424 19 residues pruned to eliminate duplicates Z: 8 10.051 1.960 0.327 0.506 1.000 0.429 CA 1.452 8 residues pruned to eliminate duplicates Z: 9 9.423 1.939 0.468 0.491 0.875 0.500 CA 1.349 9 residues pruned to eliminate duplicates Z: 17 10.415 1.972 0.853 0.213 0.812 0.375 CB 1.230 17 residues pruned to eliminate duplicates Z: 27 17.416 2.150 0.857 0.215 0.885 0.385 CB 1.353 27 residues pruned to eliminate duplicates Z: 11 11.329 2.232 0.751 0.311 0.900 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 27 15.993 2.117 0.824 0.267 0.885 0.654 CB 1.198 27 residues pruned to eliminate duplicates Z: 27 20.941 2.129 0.885 0.403 0.923 0.731 CB 1.227 27 residues pruned to eliminate duplicates Z: 14 10.027 2.117 0.728 0.214 0.846 0.462 CA 1.257 14 residues pruned to eliminate duplicates Z: 36 20.281 2.050 0.660 0.442 0.829 0.514 CB 1.291 36 residues pruned to eliminate duplicates Z: 26 26.020 2.206 0.962 0.489 0.920 0.680 CB 1.322 26 residues pruned to eliminate duplicates Z: 16 9.773 2.016 0.807 0.149 0.867 0.400 CB 1.231 16 residues pruned to eliminate duplicates Z: 28 21.858 2.189 0.787 0.414 0.889 0.519 CB 1.324 28 residues pruned to eliminate duplicates Z: 28 25.605 2.189 0.884 0.444 0.889 0.556 CB 1.424 28 residues pruned to eliminate duplicates Z: 30 21.003 2.151 0.816 0.403 0.862 0.448 CB 1.283 30 residues pruned to eliminate duplicates Z: 54 33.703 2.096 0.812 0.481 0.887 0.623 CB 1.401 54 residues pruned to eliminate duplicates Z: 13 13.921 2.265 0.880 0.272 0.750 0.417 CB 1.630 13 residues pruned to eliminate duplicates Z: 14 16.487 2.221 0.790 0.369 0.846 0.462 CB 1.565 14 residues pruned to eliminate duplicates Z: 17 13.991 2.212 0.656 0.302 0.750 0.375 CA 1.588 17 residues pruned to eliminate duplicates Z: 32 23.041 2.142 0.751 0.413 0.871 0.581 CB 1.388 32 residues pruned to eliminate duplicates Z: 48 34.582 2.050 0.780 0.468 0.936 0.532 CB 1.526 48 residues pruned to eliminate duplicates Z: 34 26.754 2.150 0.810 0.341 0.939 0.515 CA 1.515 34 residues pruned to eliminate duplicates Z: 42 32.053 2.203 0.646 0.457 0.927 0.610 CB 1.555 49 residues pruned to eliminate duplicates Z: 16 17.512 2.086 0.426 0.782 0.867 0.800 CB 1.368 13 residues pruned to eliminate duplicates Z: 21 23.576 1.986 0.606 0.819 1.000 0.900 CB 1.254 21 residues pruned to eliminate duplicates Z: 25 26.616 2.115 0.470 0.645 0.917 0.750 CB 1.664 25 residues pruned to eliminate duplicates Z: 19 24.133 2.117 0.745 0.653 0.944 0.722 CB 1.414 19 residues pruned to eliminate duplicates Z: 45 35.386 2.178 0.717 0.443 0.932 0.659 CB 1.623 45 residues pruned to eliminate duplicates Z: 20 23.232 1.910 0.622 0.889 1.000 0.684 CB 1.239 16 residues pruned to eliminate duplicates Z: 18 21.441 2.051 0.475 0.902 1.000 0.824 CB 1.226 18 residues pruned to eliminate duplicates Z: 30 18.994 1.971 0.473 0.530 0.793 0.759 CB 1.488 30 residues pruned to eliminate duplicates Z: 22 20.739 2.210 0.562 0.488 0.810 0.619 CA 1.639 22 residues pruned to eliminate duplicates Z: 26 22.367 2.060 0.446 0.572 0.920 0.560 CB 1.523 26 residues pruned to eliminate duplicates Z: 28 25.735 2.035 0.603 0.599 0.889 0.741 CB 1.554 28 residues pruned to eliminate duplicates Z: 18 31.067 2.171 0.777 0.715 1.000 0.824 CB 1.608 23 residues pruned to eliminate duplicates Z: 18 27.333 2.054 0.817 0.888 1.000 0.706 CB 1.279 15 residues pruned to eliminate duplicates Z: 14 33.448 2.275 0.966 0.875 1.000 0.769 CB 1.508 14 residues pruned to eliminate duplicates Z: 56 36.586 2.133 0.838 0.488 0.873 0.655 CB 1.460 39 residues pruned to eliminate duplicates Z: 7 2.357 1.434 0.180 0.353 0.667 0.500 CA 0.999 7 residues pruned to eliminate duplicates Z: 53 34.190 2.110 0.738 0.445 0.865 0.615 CB 1.582 53 residues pruned to eliminate duplicates Z: 12 17.607 2.079 0.636 0.648 1.000 0.818 CB 1.360 12 residues pruned to eliminate duplicates Z: 26 27.669 2.223 0.884 0.428 0.960 0.680 CB 1.483 26 residues pruned to eliminate duplicates Z: 19 20.376 2.186 0.673 0.518 0.944 0.722 CB 1.365 19 residues pruned to eliminate duplicates Z: 25 19.766 2.188 0.585 0.410 0.917 0.458 CB 1.395 25 residues pruned to eliminate duplicates Z: 27 23.465 2.212 0.846 0.393 0.923 0.538 CB 1.367 27 residues pruned to eliminate duplicates Z: 14 8.142 1.853 0.447 0.390 0.769 0.538 CB 1.229 14 residues pruned to eliminate duplicates Z: 12 9.474 1.843 0.627 0.491 0.818 0.364 CA 1.175 14 residues pruned to eliminate duplicates Z: 16 9.096 1.949 0.571 0.394 0.733 0.400 CB 1.169 12 residues pruned to eliminate duplicates Z: 8 6.313 1.614 0.746 0.400 0.857 0.571 CA 1.097 8 residues pruned to eliminate duplicates Z: 13 10.803 1.943 0.632 0.460 0.833 0.333 CB 1.229 16 residues pruned to eliminate duplicates Z: 6 3.116 1.667 0.320 0.457 0.800 0.800 CA 0.827 6 residues pruned to eliminate duplicates Z: 26 9.570 1.877 0.521 0.308 0.760 0.360 CB 1.091 15 residues pruned to eliminate duplicates Z: 12 7.330 1.969 0.536 0.411 0.727 0.545 CB 1.103 12 residues pruned to eliminate duplicates Z: 12 9.875 1.974 0.728 0.415 0.818 0.364 CB 1.165 12 residues pruned to eliminate duplicates Z: 15 10.229 1.859 0.538 0.459 0.786 0.571 CB 1.269 15 residues pruned to eliminate duplicates Z: 18 7.351 1.802 0.761 0.265 0.706 0.353 CB 1.041 18 residues pruned to eliminate duplicates Z: 9 7.075 1.738 0.651 0.505 0.750 0.625 CB 1.156 10 residues pruned to eliminate duplicates Z: 8 5.081 1.323 0.657 0.561 0.857 0.571 CB 0.963 8 residues pruned to eliminate duplicates Z: 18 12.368 1.946 0.751 0.351 0.882 0.706 CB 1.173 19 residues pruned to eliminate duplicates Z: 6 3.496 1.672 0.835 0.355 0.800 0.400 CA 0.746 6 residues pruned to eliminate duplicates Z: 9 12.419 1.993 0.781 0.602 1.000 0.750 CA 1.122 9 residues pruned to eliminate duplicates Z: 10 13.169 1.966 0.746 0.566 1.000 0.556 CB 1.200 10 residues pruned to eliminate duplicates Z: 35 13.240 1.878 0.629 0.360 0.765 0.529 CB 1.129 50 residues pruned to eliminate duplicates Z: 6 2.283 1.571 0.393 0.478 0.800 0.600 CA 0.596 6 residues pruned to eliminate duplicates Z: 31 13.851 2.041 0.367 0.290 0.867 0.533 CB 1.324 31 residues pruned to eliminate duplicates Z: 29 17.114 2.075 0.572 0.334 0.929 0.571 CB 1.280 22 residues pruned to eliminate duplicates Z: 6 2.838 1.121 0.577 0.372 1.000 0.400 CA 0.824 6 residues pruned to eliminate duplicates Z: 29 14.922 1.986 0.578 0.316 0.857 0.500 CB 1.287 29 residues pruned to eliminate duplicates Z: 30 13.967 2.004 0.426 0.302 0.793 0.448 CB 1.427 30 residues pruned to eliminate duplicates Z: 8 5.008 2.037 0.383 0.316 0.571 0.286 CB 1.440 8 residues pruned to eliminate duplicates Z: 31 15.174 1.986 0.365 0.384 0.900 0.467 CB 1.285 31 residues pruned to eliminate duplicates Z: 32 14.775 2.043 0.471 0.306 0.839 0.516 CB 1.306 32 residues pruned to eliminate duplicates Z: 30 17.379 2.019 0.503 0.351 0.897 0.552 CB 1.393 30 residues pruned to eliminate duplicates Z: 28 13.870 1.947 0.343 0.365 0.815 0.481 CA 1.449 28 residues pruned to eliminate duplicates Z: 23 12.573 2.026 0.377 0.373 0.818 0.409 CB 1.346 23 residues pruned to eliminate duplicates Z: 28 13.872 2.002 0.445 0.296 0.815 0.481 CB 1.423 28 residues pruned to eliminate duplicates Z: 31 15.511 1.954 0.538 0.342 0.867 0.467 CB 1.293 31 residues pruned to eliminate duplicates Z: 27 12.231 1.972 0.345 0.344 0.846 0.500 CB 1.266 27 residues pruned to eliminate duplicates Z: 29 12.614 1.964 0.463 0.280 0.786 0.536 CB 1.353 29 residues pruned to eliminate duplicates Z: 30 17.372 2.066 0.424 0.390 0.862 0.586 CB 1.429 11 residues pruned to eliminate duplicates Z: 6 3.780 1.644 1.198 0.232 0.600 0.000 CA 1.065 Z: 8 5.164 1.642 0.766 0.276 0.714 0.429 CA 1.214 Z: 10 5.841 1.633 0.808 0.358 0.667 0.222 CB 1.153 5 residues pruned to eliminate duplicates Z: 22 37.088 2.309 0.465 0.890 1.000 0.810 CB 1.722 22 residues pruned to eliminate duplicates Z: 43 34.012 2.207 0.458 0.639 0.929 0.619 CB 1.542 54 residues pruned to eliminate duplicates Z: 27 34.025 2.284 0.540 0.705 1.000 0.654 CB 1.574 27 residues pruned to eliminate duplicates Z: 29 32.735 2.231 0.477 0.652 0.964 0.500 CB 1.689 29 residues pruned to eliminate duplicates Z: 62 42.998 2.229 0.640 0.576 0.918 0.574 CB 1.524 62 residues pruned to eliminate duplicates Z: 40 34.168 2.154 0.640 0.628 0.949 0.615 CB 1.447 40 residues pruned to eliminate duplicates Z: 47 37.664 2.143 0.635 0.641 0.935 0.674 CB 1.485 47 residues pruned to eliminate duplicates Z: 63 38.578 2.212 0.512 0.555 0.919 0.597 CB 1.511 63 residues pruned to eliminate duplicates Z: 64 40.111 2.204 0.543 0.536 0.921 0.635 CB 1.559 64 residues pruned to eliminate duplicates Z: 31 38.893 2.264 0.685 0.721 0.967 0.600 CB 1.577 31 residues pruned to eliminate duplicates Z: 66 41.675 2.189 0.670 0.548 0.923 0.631 CB 1.461 66 residues pruned to eliminate duplicates Z: 50 32.516 2.129 0.601 0.554 0.918 0.449 CB 1.407 50 residues pruned to eliminate duplicates Z: 41 39.907 2.196 0.768 0.607 0.925 0.650 CA 1.588 41 residues pruned to eliminate duplicates Z: 49 34.396 2.130 0.568 0.604 0.917 0.604 CB 1.469 49 residues pruned to eliminate duplicates Z: 63 36.942 2.150 0.675 0.498 0.887 0.468 CB 1.471 63 residues pruned to eliminate duplicates Z: 105 44.423 2.135 0.614 0.480 0.894 0.510 CB 1.442 105 residues pruned to eliminate duplicates Z: 43 37.292 2.167 0.675 0.578 0.952 0.619 CB 1.544 43 residues pruned to eliminate duplicates Z: 45 42.196 2.218 0.619 0.684 0.977 0.545 CB 1.531 45 residues pruned to eliminate duplicates Z: 34 46.100 2.231 0.910 0.697 0.970 0.606 CB 1.622 34 residues pruned to eliminate duplicates Z: 73 41.778 2.212 0.674 0.512 0.889 0.569 CB 1.478 174 residues pruned to eliminate duplicates Z: 50 36.637 2.133 0.611 0.589 0.939 0.510 CB 1.490 50 residues pruned to eliminate duplicates Z: 54 38.977 2.226 0.559 0.601 0.981 0.660 CB 1.429 54 residues pruned to eliminate duplicates Z: 33 42.392 2.243 0.826 0.697 0.969 0.500 CB 1.577 33 residues pruned to eliminate duplicates Z: 64 44.831 2.232 0.730 0.586 0.905 0.556 CB 1.489 64 residues pruned to eliminate duplicates Z: 63 46.329 2.218 0.771 0.553 0.919 0.516 CB 1.547 63 residues pruned to eliminate duplicates Z: 63 41.032 2.186 0.699 0.559 0.903 0.435 CB 1.467 63 residues pruned to eliminate duplicates Z: 65 40.655 2.215 0.644 0.529 0.922 0.469 CB 1.471 65 residues pruned to eliminate duplicates Z: 30 19.170 2.214 0.428 0.407 0.862 0.414 CB 1.440 30 residues pruned to eliminate duplicates Z: 71 40.584 2.158 0.648 0.520 0.929 0.586 CB 1.440 71 residues pruned to eliminate duplicates Z: 15 10.849 1.902 0.142 0.598 0.929 0.714 CB 1.310 15 residues pruned to eliminate duplicates Z: 47 38.633 2.125 0.629 0.646 0.957 0.522 CB 1.501 47 residues pruned to eliminate duplicates Z: 39 28.670 2.214 0.458 0.509 0.921 0.632 CB 1.550 39 residues pruned to eliminate duplicates Z: 31 24.162 2.220 0.543 0.507 0.900 0.533 CB 1.421 31 residues pruned to eliminate duplicates Z: 41 28.096 2.116 0.649 0.476 0.875 0.550 CB 1.492 57 residues pruned to eliminate duplicates Z: 13 12.055 1.737 0.761 0.643 0.917 0.417 CB 1.086 13 residues pruned to eliminate duplicates Z: 16 10.486 2.014 0.581 0.536 0.800 0.467 CB 1.026 16 residues pruned to eliminate duplicates Z: 98 42.527 2.148 0.622 0.467 0.897 0.577 CB 1.429 98 residues pruned to eliminate duplicates Z: 52 40.807 2.201 0.733 0.588 0.902 0.510 CB 1.527 52 residues pruned to eliminate duplicates Z: 29 21.190 2.199 0.574 0.453 0.893 0.357 CB 1.360 33 residues pruned to eliminate duplicates Z: 7 4.486 1.654 0.738 0.246 0.667 0.500 C 1.280 7 residues pruned to eliminate duplicates Z: 32 23.173 2.110 0.609 0.490 0.903 0.452 CB 1.371 29 residues pruned to eliminate duplicates 6 1.558 1.501 0.286 0.318 0.600 0.400 CB 0.736 ? Z: 9 12.544 1.639 0.762 0.873 1.000 0.750 CA 1.118 9 residues pruned to eliminate duplicates Z: 22 17.433 2.124 0.406 0.445 0.905 0.429 CB 1.489 22 residues pruned to eliminate duplicates Z: 16 11.578 1.884 0.367 0.492 0.867 0.467 CA 1.351 16 residues pruned to eliminate duplicates Z: 15 17.362 1.997 0.535 0.547 0.857 0.500 CA 1.687 15 residues pruned to eliminate duplicates Z: 40 30.663 2.160 0.604 0.473 0.923 0.538 CB 1.578 40 residues pruned to eliminate duplicates Z: 31 19.375 2.114 0.608 0.376 0.800 0.400 CB 1.485 31 residues pruned to eliminate duplicates Z: 15 15.848 2.003 0.535 0.544 0.786 0.357 CB 1.680 15 residues pruned to eliminate duplicates Z: 35 23.195 2.110 0.667 0.372 0.882 0.412 CB 1.471 35 residues pruned to eliminate duplicates Z: 8 7.744 1.698 0.716 0.652 0.857 0.429 CA 1.018 14 residues pruned to eliminate duplicates Z: 6 6.997 1.779 0.629 0.727 0.800 0.600 CB 1.100 6 residues pruned to eliminate duplicates Z: 8 3.723 1.787 0.146 0.327 0.714 0.286 CA 1.164 8 residues pruned to eliminate duplicates Z: 9 6.273 1.769 0.530 0.432 0.875 0.125 CB 1.006 9 residues pruned to eliminate duplicates Z: 7 3.197 1.700 0.320 0.359 1.000 0.500 CA 0.677 7 residues pruned to eliminate duplicates Z: 6 2.632 1.600 1.068 0.236 0.600 0.400 CA 0.806 6 residues pruned to eliminate duplicates Z: 19 9.054 1.808 0.462 0.338 0.778 0.500 CA 1.238 28 residues pruned to eliminate duplicates Z: 7 4.722 1.672 0.299 0.336 1.000 0.333 CA 1.061 7 residues pruned to eliminate duplicates Z: 12 7.487 1.789 0.555 0.367 0.727 0.364 CB 1.287 12 residues pruned to eliminate duplicates Z: 8 5.700 1.650 0.475 0.619 0.857 0.714 CA 0.923 8 residues pruned to eliminate duplicates Z: 11 7.902 1.822 0.591 0.459 0.900 0.500 CB 0.999 11 residues pruned to eliminate duplicates Z: 37 16.990 1.924 0.481 0.337 0.833 0.528 CB 1.424 37 residues pruned to eliminate duplicates Z: 41 17.417 1.893 0.657 0.270 0.825 0.525 CA 1.382 41 residues pruned to eliminate duplicates Z: 43 15.575 1.909 0.417 0.321 0.833 0.500 CB 1.298 43 residues pruned to eliminate duplicates Z: 42 14.823 1.894 0.577 0.268 0.805 0.439 CA 1.253 42 residues pruned to eliminate duplicates Z: 28 15.808 1.922 0.547 0.359 0.815 0.519 CA 1.461 24 residues pruned to eliminate duplicates Z: 8 5.112 1.741 0.080 0.573 0.857 0.429 CB 1.118 8 residues pruned to eliminate duplicates Z: 25 15.105 1.968 0.520 0.358 0.833 0.625 CA 1.441 25 residues pruned to eliminate duplicates Z: 26 14.505 1.947 0.538 0.313 0.840 0.560 CA 1.418 26 residues pruned to eliminate duplicates Z: 22 18.457 2.060 0.448 0.432 0.952 0.667 CA 1.521 22 residues pruned to eliminate duplicates Z: 26 16.948 1.983 0.534 0.357 0.880 0.640 CA 1.478 29 residues pruned to eliminate duplicates Z: 6 3.245 1.433 0.550 0.243 1.000 0.600 CB 0.879 6 residues pruned to eliminate duplicates Z: 24 12.462 1.941 0.534 0.365 0.739 0.478 CB 1.364 24 residues pruned to eliminate duplicates Z: 43 19.852 1.950 0.673 0.297 0.857 0.595 CA 1.375 46 residues pruned to eliminate duplicates Z: 6 6.010 1.495 1.137 0.446 0.800 0.600 N 1.111 6 residues pruned to eliminate duplicates Z: 27 14.865 1.956 0.524 0.318 0.846 0.538 CA 1.413 27 residues pruned to eliminate duplicates Z: 24 15.280 1.984 0.439 0.353 0.870 0.565 CA 1.504 24 residues pruned to eliminate duplicates Z: 24 16.427 1.986 0.517 0.359 0.870 0.435 CB 1.521 24 residues pruned to eliminate duplicates Z: 25 15.739 1.983 0.586 0.353 0.875 0.625 CB 1.369 25 residues pruned to eliminate duplicates Z: 29 12.339 1.858 0.385 0.319 0.821 0.429 CB 1.347 29 residues pruned to eliminate duplicates Z: 12 3.431 1.800 0.350 0.274 0.636 0.364 CB 0.864 12 residues pruned to eliminate duplicates Z: 35 16.033 1.895 0.520 0.307 0.853 0.529 CA 1.387 35 residues pruned to eliminate duplicates Z: 12 5.525 1.872 0.336 0.280 0.727 0.364 CB 1.175 12 residues pruned to eliminate duplicates Z: 13 6.645 1.857 0.340 0.214 0.833 0.333 CB 1.295 13 residues pruned to eliminate duplicates Z: 25 14.655 1.942 0.524 0.355 0.833 0.500 CA 1.419 25 residues pruned to eliminate duplicates Z: 62 47.014 2.094 0.721 0.617 0.951 0.623 CA 1.572 60 residues pruned to eliminate duplicates Z: 53 40.578 2.024 0.765 0.662 0.904 0.558 CB 1.500 53 residues pruned to eliminate duplicates Z: 44 39.868 2.024 0.767 0.735 0.930 0.581 CB 1.480 44 residues pruned to eliminate duplicates Z: 36 25.237 2.021 0.706 0.493 0.886 0.486 CA 1.407 36 residues pruned to eliminate duplicates Z: 62 44.026 2.084 0.783 0.618 0.902 0.525 CA 1.505 62 residues pruned to eliminate duplicates Z: 57 42.266 2.052 0.752 0.610 0.929 0.482 CB 1.524 57 residues pruned to eliminate duplicates Z: 62 46.522 2.099 0.710 0.632 0.918 0.590 CA 1.597 62 residues pruned to eliminate duplicates Z: 62 44.476 2.064 0.694 0.625 0.934 0.623 CB 1.550 62 residues pruned to eliminate duplicates Z: 47 39.410 2.050 0.770 0.660 0.913 0.543 CB 1.512 47 residues pruned to eliminate duplicates Z: 20 23.092 1.954 0.777 0.646 0.947 0.368 CA 1.405 20 residues pruned to eliminate duplicates Z: 60 38.719 2.081 0.737 0.591 0.864 0.508 CB 1.479 60 residues pruned to eliminate duplicates Z: 21 16.258 2.071 0.595 0.335 0.950 0.550 CA 1.388 21 residues pruned to eliminate duplicates Z: 21 13.537 1.999 0.584 0.344 0.900 0.400 CA 1.259 21 residues pruned to eliminate duplicates Z: 49 31.206 2.075 0.612 0.518 0.917 0.708 CA 1.443 49 residues pruned to eliminate duplicates Z: 19 17.024 2.149 0.599 0.398 1.000 0.500 CA 1.301 19 residues pruned to eliminate duplicates Z: 18 13.589 2.111 0.748 0.328 0.882 0.412 CA 1.223 18 residues pruned to eliminate duplicates Z: 20 16.939 2.066 0.828 0.312 0.895 0.421 CA 1.417 20 residues pruned to eliminate duplicates Z: 30 16.894 1.945 0.473 0.447 0.897 0.483 CA 1.290 30 residues pruned to eliminate duplicates Z: 48 27.850 2.059 0.479 0.540 0.979 0.638 CA 1.311 48 residues pruned to eliminate duplicates Z: 19 14.683 2.150 0.778 0.317 0.833 0.500 CA 1.330 19 residues pruned to eliminate duplicates Z: 20 16.155 2.041 0.700 0.375 1.000 0.474 CA 1.221 20 residues pruned to eliminate duplicates Z: 21 11.925 2.024 0.628 0.250 0.850 0.450 CA 1.269 21 residues pruned to eliminate duplicates Z: 44 32.410 2.082 0.523 0.545 0.977 0.674 CA 1.527 44 residues pruned to eliminate duplicates Z: 22 14.093 2.065 0.717 0.303 0.857 0.524 CA 1.260 22 residues pruned to eliminate duplicates Z: 50 32.477 1.996 0.611 0.553 0.939 0.633 CA 1.460 43 residues pruned to eliminate duplicates Z: 6 6.547 1.776 0.642 0.369 1.000 0.400 CA 1.155 Z: 31 17.694 1.889 0.662 0.457 0.833 0.567 CB 1.291 27 residues pruned to eliminate duplicates Z: 19 26.138 2.083 0.582 0.812 0.944 0.722 CB 1.508 19 residues pruned to eliminate duplicates Z: 30 30.398 2.003 0.675 0.661 0.966 0.690 CB 1.501 35 residues pruned to eliminate duplicates Z: 21 25.218 2.008 0.448 0.869 0.900 0.650 CB 1.573 21 residues pruned to eliminate duplicates Z: 54 33.531 2.003 0.608 0.553 0.887 0.604 CA 1.531 54 residues pruned to eliminate duplicates Z: 47 31.861 2.060 0.539 0.555 0.913 0.696 CA 1.538 47 residues pruned to eliminate duplicates Z: 31 28.710 2.022 0.756 0.651 0.900 0.600 CA 1.426 31 residues pruned to eliminate duplicates Z: 30 30.900 2.018 0.641 0.644 0.966 0.586 CB 1.568 30 residues pruned to eliminate duplicates Z: 23 33.093 2.200 0.670 0.770 0.955 0.727 CB 1.585 23 residues pruned to eliminate duplicates Z: 63 48.682 2.060 0.824 0.619 0.968 0.565 CA 1.520 68 residues pruned to eliminate duplicates Z: 20 28.725 2.062 0.701 0.935 0.895 0.632 CB 1.463 20 residues pruned to eliminate duplicates Z: 27 36.137 2.096 0.744 0.728 1.000 0.654 CA 1.578 27 residues pruned to eliminate duplicates Z: 30 28.636 2.018 0.570 0.638 0.931 0.552 CB 1.584 30 residues pruned to eliminate duplicates Z: 70 36.317 2.002 0.618 0.582 0.855 0.594 CA 1.458 70 residues pruned to eliminate duplicates Z: 21 30.708 2.008 0.729 0.920 0.950 0.650 CB 1.466 21 residues pruned to eliminate duplicates Z: 65 35.927 1.946 0.784 0.550 0.906 0.531 CB 1.360 25 residues pruned to eliminate duplicates Z: 19 35.623 2.108 0.896 0.913 0.944 0.444 CB 1.574 19 residues pruned to eliminate duplicates Z: 60 43.580 2.113 0.697 0.617 0.881 0.610 CB 1.607 60 residues pruned to eliminate duplicates Z: 61 44.162 2.062 0.747 0.612 0.933 0.617 CA 1.526 61 residues pruned to eliminate duplicates Z: 62 45.302 2.071 0.763 0.616 0.918 0.607 CB 1.550 62 residues pruned to eliminate duplicates Z: 64 47.122 2.049 0.883 0.590 0.921 0.587 CB 1.534 64 residues pruned to eliminate duplicates Z: 48 29.126 1.949 0.597 0.541 0.894 0.638 CA 1.468 48 residues pruned to eliminate duplicates Z: 23 21.961 1.903 0.868 0.563 0.909 0.636 CA 1.363 23 residues pruned to eliminate duplicates Z: 41 33.613 2.001 0.790 0.629 0.950 0.650 CB 1.383 41 residues pruned to eliminate duplicates Z: 47 39.572 2.019 0.726 0.696 0.913 0.674 CB 1.534 47 residues pruned to eliminate duplicates Z: 48 40.056 2.011 0.771 0.682 0.957 0.638 CB 1.450 20 residues pruned to eliminate duplicates Z: 9 8.638 1.770 0.132 0.769 0.875 0.250 CB 1.373 9 residues pruned to eliminate duplicates Z: 12 8.622 1.843 0.810 0.547 0.545 0.364 CB 1.365 22 residues pruned to eliminate duplicates Z: 30 19.539 1.946 0.556 0.479 0.931 0.621 CA 1.314 30 residues pruned to eliminate duplicates Z: 13 7.472 1.650 0.466 0.614 0.750 0.500 CA 1.068 Z: 9 8.177 1.674 0.200 0.793 0.875 0.250 CA 1.272 9 residues pruned to eliminate duplicates 628 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 6 D: 7 E: 6 F: 43 G: 9 H: 13 I: 12 J: 10 K: 40 L: 6 M: 73 N: 46 O: 52 P: 46 Q: 6 R: 20 S: 11 T: 9 U: 61 V: 6 W: 42 X: 58 Y: 8 Z: 9 Z: 14 CC for partial structure against native data = 24.72 % ------------------------------------------------------------------------------ Global autotracing cycle 13 = 0.300, Contrast = 0.402, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.464, Connect. = 0.711 for dens.mod. cycle 2 = 0.300, Contrast = 0.539, Connect. = 0.744 for dens.mod. cycle 3 = 0.300, Contrast = 0.544, Connect. = 0.748 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.555, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.561, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.761 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6639 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1295 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 19.289 2.244 0.983 0.279 0.800 0.500 CB 1.555 B: 15 11.671 2.164 0.800 0.362 0.643 0.357 CB 1.446 14 residues pruned to eliminate duplicates C: 22 41.536 2.230 0.779 0.935 1.000 1.000 CB 1.592 D: 20 19.695 1.975 0.282 0.909 1.000 0.947 CB 1.266 E: 70 45.878 2.179 0.723 0.572 0.913 0.522 CB 1.502 22 residues pruned to eliminate duplicates F: 20 17.621 2.130 0.798 0.501 0.789 0.474 CB 1.335 16 residues pruned to eliminate duplicates G: 17 22.658 2.163 0.545 0.928 0.938 0.875 CB 1.266 18 residues pruned to eliminate duplicates H: 22 33.962 2.246 0.465 0.885 1.000 0.905 CB 1.627 22 residues pruned to eliminate duplicates I: 11 17.372 1.955 0.823 0.858 0.900 0.700 CA 1.261 J: 8 14.937 2.051 0.432 0.774 1.000 0.857 CA 1.509 K: 23 34.127 2.193 0.676 0.872 0.909 0.682 CB 1.587 23 residues pruned to eliminate duplicates L: 19 18.325 2.039 0.252 0.923 1.000 1.000 CB 1.189 19 residues pruned to eliminate duplicates M: 22 47.556 2.282 0.935 0.918 1.000 0.762 CB 1.657 22 residues pruned to eliminate duplicates N: 22 41.183 2.256 0.669 0.924 1.000 0.905 CB 1.676 22 residues pruned to eliminate duplicates O: 9 7.088 2.130 0.270 0.334 0.875 0.750 CB 1.269 9 residues pruned to eliminate duplicates P: 8 10.186 1.994 0.531 0.634 1.000 0.857 CA 1.112 8 residues pruned to eliminate duplicates Q: 21 40.460 2.295 0.651 0.904 1.000 0.850 CA 1.701 21 residues pruned to eliminate duplicates R: 23 17.582 2.188 0.860 0.322 0.773 0.500 CB 1.450 23 residues pruned to eliminate duplicates S: 21 49.610 2.385 0.914 0.940 0.950 0.450 CB 1.777 21 residues pruned to eliminate duplicates T: 23 39.782 2.176 0.741 0.895 1.000 0.773 CA 1.605 23 residues pruned to eliminate duplicates U: 19 18.819 1.991 0.070 0.895 0.944 0.722 CB 1.580 V: 20 26.176 2.012 0.708 0.901 1.000 0.842 CB 1.247 19 residues pruned to eliminate duplicates W: 8 11.382 2.024 0.542 0.602 1.000 0.714 CA 1.251 8 residues pruned to eliminate duplicates X: 8 10.458 1.706 0.276 0.840 1.000 0.714 CB 1.354 Y: 20 27.397 2.098 0.433 0.906 0.947 0.789 CB 1.570 19 residues pruned to eliminate duplicates Z: 19 19.911 1.812 0.501 0.852 0.944 0.889 CA 1.351 Z: 21 31.868 2.026 0.679 0.911 0.950 0.750 CB 1.563 20 residues pruned to eliminate duplicates Z: 15 17.146 1.878 0.774 0.831 0.714 0.357 CB 1.447 15 residues pruned to eliminate duplicates Z: 9 6.383 1.796 0.542 0.476 0.750 0.375 CA 1.114 Z: 21 37.401 2.226 0.693 0.875 1.000 0.900 CB 1.614 21 residues pruned to eliminate duplicates Z: 22 40.306 2.268 0.561 0.912 1.000 0.952 CB 1.760 22 residues pruned to eliminate duplicates Z: 7 11.585 2.168 0.473 0.495 1.000 0.500 CA 1.488 7 residues pruned to eliminate duplicates Z: 18 44.034 2.359 1.020 0.925 0.941 0.765 CB 1.671 18 residues pruned to eliminate duplicates Z: 20 30.537 2.076 0.671 0.885 1.000 0.632 CA 1.458 19 residues pruned to eliminate duplicates Z: 23 45.106 2.228 0.997 0.900 0.955 0.773 CB 1.618 23 residues pruned to eliminate duplicates Z: 18 11.631 2.035 0.483 0.369 0.765 0.353 CB 1.407 Z: 7 12.900 2.068 0.142 0.847 1.000 0.833 CA 1.655 8 residues pruned to eliminate duplicates Z: 30 16.582 1.956 0.596 0.462 0.862 0.552 CB 1.190 Z: 9 15.410 2.078 0.543 0.894 0.875 0.875 CA 1.393 9 residues pruned to eliminate duplicates Z: 10 15.620 2.013 0.543 0.895 0.889 0.778 CA 1.352 10 residues pruned to eliminate duplicates Z: 28 28.126 2.096 0.532 0.684 0.926 0.741 CB 1.538 17 residues pruned to eliminate duplicates Z: 16 9.794 1.866 0.285 0.363 0.867 0.467 CB 1.410 16 residues pruned to eliminate duplicates Z: 21 49.509 2.245 1.074 0.926 1.000 0.750 CA 1.667 21 residues pruned to eliminate duplicates Z: 39 19.157 2.074 0.371 0.376 0.842 0.474 CB 1.480 18 residues pruned to eliminate duplicates Z: 14 9.408 1.794 0.314 0.440 0.846 0.615 CA 1.392 Z: 9 11.502 1.784 0.636 0.887 0.875 0.500 CB 1.148 Z: 13 12.540 1.980 0.470 0.420 0.833 0.667 CA 1.624 Z: 15 11.253 1.891 0.596 0.469 0.857 0.643 CB 1.200 Z: 9 12.075 1.864 0.670 0.555 0.875 0.625 CB 1.486 Z: 7 9.435 1.702 0.459 0.682 1.000 0.500 N 1.313 7 residues pruned to eliminate duplicates Z: 36 16.861 1.918 0.628 0.350 0.771 0.400 CA 1.391 33 residues pruned to eliminate duplicates Z: 52 32.080 2.127 0.768 0.430 0.843 0.529 CB 1.524 42 residues pruned to eliminate duplicates Z: 10 10.606 1.783 0.373 0.807 1.000 0.889 CA 1.105 6 residues pruned to eliminate duplicates Z: 10 22.448 1.997 0.800 0.885 1.000 0.778 CB 1.503 Z: 63 47.294 2.250 0.632 0.578 0.935 0.629 CB 1.621 61 residues pruned to eliminate duplicates Z: 21 24.752 1.988 0.376 0.882 0.900 0.800 CA 1.627 21 residues pruned to eliminate duplicates Z: 17 21.958 2.014 0.858 0.933 1.000 0.875 CB 1.024 17 residues pruned to eliminate duplicates Z: 24 10.350 1.718 0.378 0.342 0.870 0.391 CA 1.245 Z: 22 32.838 2.238 0.477 0.906 1.000 0.810 CB 1.542 22 residues pruned to eliminate duplicates Z: 9 8.940 1.731 0.230 0.854 0.875 0.875 CA 1.253 7 residues pruned to eliminate duplicates Z: 12 16.032 1.854 0.539 0.814 0.909 0.545 CA 1.419 11 residues pruned to eliminate duplicates Z: 12 15.700 2.237 0.806 0.460 0.818 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 61 45.163 2.250 0.611 0.607 0.950 0.667 CB 1.530 61 residues pruned to eliminate duplicates Z: 20 10.701 1.918 0.432 0.314 0.947 0.684 CA 1.159 Z: 11 4.750 1.665 0.393 0.219 0.800 0.200 C 1.125 Z: 9 11.251 1.950 0.287 0.475 1.000 0.750 CB 1.625 9 residues pruned to eliminate duplicates Z: 27 23.153 2.241 0.787 0.447 0.923 0.654 CB 1.297 27 residues pruned to eliminate duplicates Z: 16 22.053 2.122 0.463 0.908 1.000 0.867 CB 1.303 16 residues pruned to eliminate duplicates Z: 22 45.444 2.267 0.834 0.909 1.000 0.810 CB 1.693 22 residues pruned to eliminate duplicates Z: 8 7.203 2.014 0.418 0.378 0.714 0.571 CB 1.521 Z: 22 47.921 2.299 0.955 0.916 1.000 0.571 CB 1.643 22 residues pruned to eliminate duplicates Z: 7 4.791 1.927 0.323 0.253 0.667 0.500 CA 1.528 Z: 22 10.836 1.811 0.449 0.361 0.857 0.524 CB 1.221 19 residues pruned to eliminate duplicates Z: 19 6.671 1.707 0.256 0.308 0.778 0.444 CB 1.166 19 residues pruned to eliminate duplicates Z: 7 8.903 1.812 1.014 0.390 0.833 0.500 CA 1.343 8 residues pruned to eliminate duplicates Z: 9 12.705 1.713 0.438 0.820 1.000 0.750 CA 1.381 9 residues pruned to eliminate duplicates Z: 9 12.949 1.883 0.412 0.703 0.875 0.875 CB 1.636 8 residues pruned to eliminate duplicates Z: 23 34.446 2.161 0.693 0.861 0.909 0.591 CB 1.622 23 residues pruned to eliminate duplicates Z: 11 12.461 2.015 0.857 0.525 0.900 0.600 CA 1.141 Z: 23 12.872 2.025 0.417 0.293 0.864 0.409 CA 1.397 23 residues pruned to eliminate duplicates Z: 22 22.769 1.948 0.258 0.852 0.952 0.762 CB 1.576 22 residues pruned to eliminate duplicates Z: 9 8.036 1.701 0.847 0.686 0.625 0.375 CA 1.220 7 residues pruned to eliminate duplicates Z: 10 3.704 1.536 0.803 0.252 0.556 0.333 CB 1.068 Z: 23 21.857 1.867 0.774 0.589 0.955 0.773 CB 1.353 15 residues pruned to eliminate duplicates Z: 22 28.856 1.951 0.872 0.865 0.952 0.667 CB 1.326 22 residues pruned to eliminate duplicates Z: 70 38.640 2.023 0.687 0.557 0.928 0.536 CA 1.390 68 residues pruned to eliminate duplicates Z: 8 7.516 1.663 0.440 0.824 0.857 0.571 CA 1.045 7 residues pruned to eliminate duplicates Z: 6 5.481 1.875 0.237 0.621 0.800 0.600 CA 1.179 6 residues pruned to eliminate duplicates Z: 21 24.745 2.024 0.490 0.898 0.950 0.650 CA 1.381 21 residues pruned to eliminate duplicates Z: 9 11.861 1.883 0.660 0.710 0.875 0.625 CB 1.267 9 residues pruned to eliminate duplicates Z: 22 44.645 2.294 0.927 0.941 0.952 0.714 CB 1.606 22 residues pruned to eliminate duplicates Z: 8 2.483 1.589 0.429 0.201 0.857 0.429 CB 0.687 Z: 14 11.735 1.893 0.474 0.365 0.923 0.615 CB 1.460 Z: 25 20.900 2.066 0.474 0.439 0.917 0.583 CB 1.628 25 residues pruned to eliminate duplicates Z: 25 8.002 1.934 0.371 0.217 0.750 0.375 CB 1.145 15 residues pruned to eliminate duplicates Z: 38 27.902 1.984 0.575 0.567 0.973 0.676 CA 1.414 42 residues pruned to eliminate duplicates Z: 16 9.347 1.980 0.517 0.285 0.867 0.467 CB 1.180 8 residues pruned to eliminate duplicates Z: 18 24.932 2.030 0.582 0.909 0.941 0.824 CA 1.420 18 residues pruned to eliminate duplicates Z: 28 16.325 2.047 0.954 0.289 0.778 0.370 CB 1.280 28 residues pruned to eliminate duplicates Z: 16 6.703 1.895 0.016 0.361 0.800 0.400 CA 1.305 16 residues pruned to eliminate duplicates Z: 41 21.480 2.012 0.560 0.460 0.775 0.475 CA 1.454 38 residues pruned to eliminate duplicates Z: 14 12.492 1.990 0.559 0.466 0.769 0.692 CB 1.504 14 residues pruned to eliminate duplicates Z: 31 17.996 2.061 0.733 0.386 0.867 0.533 CB 1.198 31 residues pruned to eliminate duplicates Z: 19 7.574 1.798 0.515 0.289 0.722 0.444 CB 1.150 19 residues pruned to eliminate duplicates Z: 16 26.502 2.091 0.751 0.925 0.933 0.667 CA 1.406 16 residues pruned to eliminate duplicates Z: 19 12.589 1.930 0.282 0.386 1.000 0.556 CB 1.354 Z: 13 7.242 1.744 0.179 0.419 0.917 0.583 CA 1.207 Z: 18 30.386 2.122 0.681 0.907 0.941 0.647 CA 1.561 18 residues pruned to eliminate duplicates Z: 26 20.702 2.038 0.494 0.425 0.920 0.480 CA 1.598 27 residues pruned to eliminate duplicates Z: 10 10.996 2.042 0.283 0.809 0.889 0.333 CB 1.202 10 residues pruned to eliminate duplicates Z: 20 30.837 2.087 0.878 0.909 0.895 0.421 CB 1.432 20 residues pruned to eliminate duplicates Z: 10 12.333 2.060 0.609 0.664 0.778 0.667 CB 1.370 10 residues pruned to eliminate duplicates Z: 10 9.893 1.769 0.620 0.755 0.889 0.778 CA 1.031 10 residues pruned to eliminate duplicates Z: 15 7.914 1.917 0.316 0.370 0.857 0.643 CB 1.124 10 residues pruned to eliminate duplicates Z: 11 15.475 2.052 0.299 0.845 1.000 0.700 CB 1.365 11 residues pruned to eliminate duplicates Z: 13 19.651 1.753 0.711 0.855 1.000 0.750 CB 1.396 13 residues pruned to eliminate duplicates Z: 20 18.515 1.916 0.411 0.799 0.895 0.895 CB 1.351 20 residues pruned to eliminate duplicates Z: 14 12.260 1.857 0.455 0.485 0.923 0.615 CA 1.385 14 residues pruned to eliminate duplicates Z: 21 11.434 1.864 0.321 0.312 0.900 0.550 CB 1.420 20 residues pruned to eliminate duplicates Z: 18 17.387 2.061 0.410 0.862 0.941 0.882 CB 1.132 18 residues pruned to eliminate duplicates Z: 21 45.674 2.296 1.081 0.917 0.950 0.350 CB 1.588 21 residues pruned to eliminate duplicates Z: 32 31.670 2.095 0.637 0.628 0.903 0.710 CA 1.628 32 residues pruned to eliminate duplicates Z: 6 3.140 1.686 0.183 0.520 0.800 0.600 CA 0.863 6 residues pruned to eliminate duplicates Z: 15 9.585 1.971 0.282 0.438 0.714 0.500 CA 1.513 15 residues pruned to eliminate duplicates Z: 10 15.536 1.971 0.641 0.898 0.889 0.889 CA 1.288 10 residues pruned to eliminate duplicates Z: 9 12.737 1.807 0.805 0.601 1.000 0.500 CA 1.254 9 residues pruned to eliminate duplicates Z: 13 10.959 1.923 0.647 0.383 0.833 0.417 CA 1.358 13 residues pruned to eliminate duplicates Z: 15 20.160 2.025 0.368 0.885 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 14 6.044 1.747 0.279 0.498 0.846 0.692 CB 0.889 Z: 13 14.677 1.826 0.317 0.861 1.000 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 9 8.696 1.968 0.485 0.553 0.750 0.500 CB 1.333 9 residues pruned to eliminate duplicates Z: 18 16.325 1.961 0.693 0.400 1.000 0.588 CA 1.326 11 residues pruned to eliminate duplicates Z: 11 3.882 1.525 0.286 0.509 0.800 0.600 CB 0.776 Z: 7 7.681 1.827 0.392 0.565 0.833 0.500 CB 1.388 Z: 15 21.713 1.945 0.711 0.833 1.000 0.714 CA 1.308 15 residues pruned to eliminate duplicates Z: 22 32.392 1.957 0.658 0.912 0.952 0.667 CB 1.621 22 residues pruned to eliminate duplicates Z: 15 10.752 1.895 0.367 0.316 1.000 0.357 CB 1.359 15 residues pruned to eliminate duplicates Z: 28 20.241 2.054 0.652 0.507 0.889 0.630 CA 1.282 30 residues pruned to eliminate duplicates Z: 10 14.357 1.737 0.400 0.841 1.000 0.333 CA 1.468 Z: 10 6.412 1.695 0.014 0.484 0.889 0.667 O 1.422 Z: 19 24.024 2.069 0.473 0.884 0.889 0.722 CA 1.510 19 residues pruned to eliminate duplicates Z: 6 4.819 1.406 0.490 0.820 1.000 0.600 N 0.779 Z: 6 2.518 1.641 0.385 0.299 0.600 0.600 CB 1.034 5 residues pruned to eliminate duplicates Z: 29 14.559 1.924 0.543 0.464 0.857 0.500 CA 1.121 29 residues pruned to eliminate duplicates Z: 13 8.821 1.855 0.257 0.552 0.833 0.667 CB 1.245 Z: 6 2.006 1.588 -0.070 0.290 0.600 0.600 N 1.281 5 residues pruned to eliminate duplicates Z: 16 7.807 1.802 0.563 0.277 0.800 0.333 CB 1.151 16 residues pruned to eliminate duplicates Z: 13 12.881 1.747 0.311 0.859 1.000 0.750 CB 1.195 13 residues pruned to eliminate duplicates Z: 23 9.689 1.800 0.405 0.271 0.773 0.500 CB 1.371 12 residues pruned to eliminate duplicates Z: 9 9.384 2.244 0.415 0.498 0.750 0.625 CB 1.396 9 residues pruned to eliminate duplicates Z: 19 4.944 1.625 0.400 0.249 0.667 0.333 CB 1.026 Z: 9 10.765 2.083 -0.102 0.868 1.000 0.875 CA 1.487 9 residues pruned to eliminate duplicates Z: 37 40.872 2.154 0.849 0.726 0.944 0.722 CB 1.477 37 residues pruned to eliminate duplicates Z: 25 20.008 2.159 0.831 0.356 0.833 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 24 21.505 2.125 0.714 0.439 0.913 0.609 CB 1.435 15 residues pruned to eliminate duplicates Z: 10 17.335 1.894 0.650 0.863 1.000 0.778 CA 1.357 10 residues pruned to eliminate duplicates Z: 16 12.411 2.119 0.643 0.314 0.933 0.533 CB 1.211 16 residues pruned to eliminate duplicates Z: 12 9.451 1.995 0.507 0.476 0.818 0.636 CB 1.187 12 residues pruned to eliminate duplicates Z: 13 14.199 2.061 0.483 0.439 0.917 0.583 CA 1.558 13 residues pruned to eliminate duplicates Z: 15 30.626 2.254 0.714 0.896 0.929 0.643 CA 1.635 15 residues pruned to eliminate duplicates Z: 19 27.302 1.959 0.615 0.875 1.000 0.556 CB 1.479 19 residues pruned to eliminate duplicates Z: 15 7.291 1.859 0.521 0.332 0.786 0.429 CB 1.054 7 residues pruned to eliminate duplicates Z: 7 6.583 2.000 0.031 0.556 1.000 0.500 CB 1.234 7 residues pruned to eliminate duplicates Z: 20 10.600 1.807 0.430 0.343 0.947 0.526 CB 1.178 20 residues pruned to eliminate duplicates Z: 28 20.172 1.973 0.606 0.544 0.926 0.704 CB 1.267 29 residues pruned to eliminate duplicates Z: 46 36.685 2.197 0.925 0.422 0.889 0.600 CB 1.577 42 residues pruned to eliminate duplicates Z: 11 7.588 1.802 0.185 0.449 0.900 0.600 CB 1.315 11 residues pruned to eliminate duplicates Z: 18 24.789 1.999 0.584 0.895 0.941 0.824 CB 1.446 18 residues pruned to eliminate duplicates Z: 8 5.011 1.704 0.277 0.445 0.857 0.714 CA 1.075 8 residues pruned to eliminate duplicates Z: 48 19.367 2.042 0.433 0.347 0.809 0.468 CB 1.410 48 residues pruned to eliminate duplicates Z: 13 5.065 1.478 0.738 0.226 0.667 0.333 C 1.176 Z: 7 8.852 1.588 1.014 0.711 1.000 0.667 CA 0.933 Z: 21 52.369 2.344 0.995 0.914 1.000 0.550 CB 1.771 21 residues pruned to eliminate duplicates Z: 23 17.133 1.941 0.497 0.553 0.955 0.818 CA 1.251 23 residues pruned to eliminate duplicates Z: 12 20.201 1.802 0.767 0.924 1.000 0.636 CB 1.343 12 residues pruned to eliminate duplicates Z: 19 30.429 2.009 0.718 0.903 1.000 0.611 CA 1.481 19 residues pruned to eliminate duplicates Z: 8 7.238 1.741 0.517 0.889 0.857 0.714 CB 0.871 9 residues pruned to eliminate duplicates Z: 19 11.170 1.847 0.671 0.386 0.833 0.556 CA 1.156 19 residues pruned to eliminate duplicates Z: 10 11.287 2.126 0.157 0.835 0.889 0.667 CA 1.289 10 residues pruned to eliminate duplicates Z: 12 18.965 2.068 0.865 0.624 0.909 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 24 18.118 2.037 0.673 0.485 0.870 0.565 CB 1.293 24 residues pruned to eliminate duplicates Z: 6 3.480 2.000 0.116 0.668 0.600 0.600 CB 0.996 6 residues pruned to eliminate duplicates Z: 9 13.618 1.904 0.552 0.811 1.000 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 15 6.923 1.671 0.381 0.386 0.714 0.429 CA 1.268 10 residues pruned to eliminate duplicates Z: 11 17.693 1.907 0.362 0.896 1.000 0.900 CB 1.544 11 residues pruned to eliminate duplicates Z: 27 16.656 1.819 0.490 0.547 0.885 0.500 CB 1.302 41 residues pruned to eliminate duplicates Z: 19 8.914 1.679 0.259 0.312 1.000 0.500 CB 1.223 Z: 19 11.984 1.919 0.263 0.376 0.944 0.611 CB 1.409 21 residues pruned to eliminate duplicates Z: 16 24.985 2.096 0.538 0.899 1.000 0.733 CA 1.431 16 residues pruned to eliminate duplicates Z: 10 13.742 1.974 0.645 0.759 0.889 0.667 CB 1.260 13 residues pruned to eliminate duplicates Z: 7 3.372 1.700 0.541 0.385 0.833 0.500 CB 0.712 Z: 10 4.467 1.744 0.369 0.528 0.889 0.556 CB 0.682 10 residues pruned to eliminate duplicates Z: 20 13.395 1.995 0.530 0.322 0.842 0.579 CA 1.454 20 residues pruned to eliminate duplicates Z: 11 12.918 1.936 0.515 0.684 0.900 0.800 CA 1.307 11 residues pruned to eliminate duplicates Z: 8 13.478 1.973 0.494 0.798 1.000 0.714 CB 1.331 8 residues pruned to eliminate duplicates Z: 23 37.825 2.159 0.981 0.892 0.909 0.318 CB 1.490 23 residues pruned to eliminate duplicates Z: 17 16.122 2.080 0.237 0.869 0.938 0.688 CB 1.221 17 residues pruned to eliminate duplicates Z: 8 8.509 1.601 0.277 0.881 1.000 0.571 CA 1.139 8 residues pruned to eliminate duplicates Z: 7 8.299 1.753 0.509 0.557 1.000 0.833 CA 1.212 8 residues pruned to eliminate duplicates Z: 27 15.498 2.149 0.738 0.335 0.769 0.462 CB 1.266 27 residues pruned to eliminate duplicates Z: 7 6.226 1.819 0.717 0.846 0.833 0.667 CB 0.726 Z: 20 17.206 2.184 0.939 0.349 0.842 0.474 CB 1.304 20 residues pruned to eliminate duplicates Z: 10 14.819 1.868 0.604 0.650 0.889 0.889 CB 1.613 10 residues pruned to eliminate duplicates Z: 63 39.136 2.244 0.565 0.559 0.919 0.613 CB 1.454 23 residues pruned to eliminate duplicates Z: 10 10.457 1.857 0.588 0.447 1.000 0.667 CB 1.249 10 residues pruned to eliminate duplicates Z: 20 9.110 1.748 0.289 0.468 0.842 0.579 CB 1.138 Z: 9 9.333 1.683 0.381 0.769 1.000 0.500 CA 1.119 9 residues pruned to eliminate duplicates Z: 15 9.507 2.144 0.103 0.352 0.786 0.643 CA 1.605 15 residues pruned to eliminate duplicates Z: 21 18.199 2.042 0.685 0.484 0.900 0.600 CB 1.335 21 residues pruned to eliminate duplicates Z: 7 5.610 1.810 0.445 0.546 0.667 0.667 CA 1.256 7 residues pruned to eliminate duplicates Z: 12 8.301 1.812 0.494 0.549 0.818 0.636 CB 1.077 Z: 10 7.528 1.532 0.174 0.831 0.889 0.778 CA 1.179 10 residues pruned to eliminate duplicates Z: 21 47.293 2.328 0.814 0.910 1.000 0.700 CA 1.776 21 residues pruned to eliminate duplicates Z: 7 6.680 1.768 0.227 0.590 0.833 0.667 N 1.384 Z: 9 10.566 1.839 0.806 0.330 1.000 0.625 CB 1.356 Z: 21 22.015 1.882 0.536 0.808 0.950 0.600 CB 1.371 21 residues pruned to eliminate duplicates Z: 21 11.369 1.878 0.529 0.328 0.800 0.500 CA 1.336 21 residues pruned to eliminate duplicates Z: 7 2.891 1.368 0.385 0.271 1.000 0.500 CA 0.808 Z: 6 2.351 1.592 -0.041 0.379 0.800 0.600 CB 0.978 Z: 32 22.154 1.973 0.362 0.610 0.968 0.710 CB 1.379 32 residues pruned to eliminate duplicates Z: 11 12.101 1.675 0.457 0.803 0.900 0.700 CA 1.337 11 residues pruned to eliminate duplicates Z: 11 8.005 1.979 0.538 0.375 0.800 0.600 CB 1.188 10 residues pruned to eliminate duplicates Z: 18 14.864 2.068 0.485 0.435 0.765 0.529 CA 1.642 18 residues pruned to eliminate duplicates Z: 10 13.026 1.744 0.811 0.616 1.000 0.556 CB 1.232 Z: 6 6.261 1.595 0.728 0.770 1.000 0.800 N 0.800 Z: 21 26.557 2.012 0.619 0.872 0.900 0.400 CB 1.476 21 residues pruned to eliminate duplicates Z: 9 2.293 1.605 0.235 0.141 0.625 0.125 CB 1.021 4 residues pruned to eliminate duplicates Z: 6 3.560 1.429 0.452 0.568 0.800 0.400 CA 0.898 6 residues pruned to eliminate duplicates Z: 9 2.454 1.684 0.575 0.283 0.625 0.500 CB 0.668 9 residues pruned to eliminate duplicates Z: 11 17.757 1.945 0.468 0.900 1.000 0.800 CB 1.405 11 residues pruned to eliminate duplicates Z: 9 18.990 1.892 0.986 0.885 1.000 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 6 4.305 1.264 0.611 0.746 1.000 0.800 C 0.759 6 residues pruned to eliminate duplicates Z: 9 4.275 1.804 0.340 0.187 0.750 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 11 9.113 1.564 0.197 0.803 1.000 0.800 CA 1.181 10 residues pruned to eliminate duplicates Z: 22 29.733 1.948 0.719 0.913 1.000 0.667 CB 1.371 22 residues pruned to eliminate duplicates Z: 21 10.354 1.751 0.244 0.363 0.950 0.550 CB 1.296 20 residues pruned to eliminate duplicates Z: 24 9.912 2.094 0.275 0.338 0.652 0.391 CB 1.417 24 residues pruned to eliminate duplicates Z: 7 4.631 1.632 0.475 0.269 0.833 0.500 CB 1.226 Z: 26 18.185 2.020 0.531 0.513 0.880 0.680 CB 1.320 26 residues pruned to eliminate duplicates Z: 16 11.385 1.850 0.509 0.443 0.867 0.600 CA 1.289 16 residues pruned to eliminate duplicates Z: 19 26.955 1.979 0.659 0.890 1.000 0.611 CB 1.392 19 residues pruned to eliminate duplicates Z: 7 7.141 1.914 0.634 0.371 1.000 0.333 CB 1.070 7 residues pruned to eliminate duplicates Z: 21 21.755 1.936 0.384 0.884 0.850 0.700 CA 1.543 21 residues pruned to eliminate duplicates Z: 27 22.226 2.108 0.604 0.509 0.923 0.615 CB 1.384 27 residues pruned to eliminate duplicates Z: 19 10.525 1.740 0.599 0.443 0.833 0.722 CB 1.135 20 residues pruned to eliminate duplicates Z: 65 43.258 2.236 0.569 0.559 0.953 0.641 CB 1.527 70 residues pruned to eliminate duplicates Z: 9 4.665 1.485 0.169 0.569 1.000 0.750 CB 0.888 Z: 30 29.308 1.996 0.683 0.652 0.966 0.690 CB 1.457 13 residues pruned to eliminate duplicates Z: 9 4.003 1.733 0.230 0.416 0.625 0.375 CA 1.160 Z: 6 3.067 1.568 0.351 0.411 0.600 0.400 CA 1.185 Z: 11 14.903 1.903 0.735 0.844 0.900 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 29 16.849 1.904 0.632 0.482 0.964 0.536 CB 1.083 33 residues pruned to eliminate duplicates Z: 65 39.017 2.054 0.705 0.599 0.891 0.500 CA 1.424 66 residues pruned to eliminate duplicates Z: 7 2.615 1.319 0.160 0.534 0.833 0.833 CB 0.809 Z: 21 23.620 1.956 0.758 0.883 0.800 0.450 CB 1.389 21 residues pruned to eliminate duplicates Z: 12 6.460 1.747 0.551 0.346 0.636 0.545 CA 1.336 10 residues pruned to eliminate duplicates Z: 15 10.149 1.625 0.586 0.447 0.929 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 8 6.633 1.896 0.174 0.604 0.857 0.571 CB 1.190 8 residues pruned to eliminate duplicates Z: 8 2.894 1.712 -0.198 0.202 0.857 0.714 CB 1.324 8 residues pruned to eliminate duplicates Z: 15 11.638 1.657 0.514 0.567 0.929 0.714 CA 1.252 19 residues pruned to eliminate duplicates Z: 9 14.453 1.793 0.747 0.862 1.000 0.625 CB 1.198 9 residues pruned to eliminate duplicates Z: 17 9.146 1.656 0.279 0.375 1.000 0.562 CB 1.234 17 residues pruned to eliminate duplicates Z: 20 9.284 1.787 0.423 0.355 0.684 0.474 CA 1.431 20 residues pruned to eliminate duplicates Z: 36 26.114 2.031 0.561 0.498 0.914 0.514 CB 1.526 36 residues pruned to eliminate duplicates Z: 8 6.229 1.696 0.026 0.673 1.000 0.571 CB 1.154 11 residues pruned to eliminate duplicates Z: 13 11.667 1.892 0.739 0.318 0.833 0.333 CB 1.502 13 residues pruned to eliminate duplicates Z: 8 2.433 1.436 1.086 0.214 0.429 0.429 N 1.004 Z: 23 21.895 2.107 0.700 0.505 0.955 0.636 CB 1.359 23 residues pruned to eliminate duplicates Z: 20 34.447 2.096 0.823 0.916 0.947 0.789 CA 1.541 20 residues pruned to eliminate duplicates Z: 64 37.233 2.042 0.646 0.585 0.889 0.540 CA 1.447 64 residues pruned to eliminate duplicates Z: 15 7.808 1.763 0.389 0.428 0.857 0.714 CB 1.072 14 residues pruned to eliminate duplicates Z: 8 7.717 1.838 0.896 0.642 1.000 0.714 CB 0.733 Z: 6 4.963 1.576 0.519 0.464 0.800 0.600 CA 1.203 Z: 9 12.345 2.022 0.546 0.838 0.750 0.625 CB 1.392 9 residues pruned to eliminate duplicates Z: 12 25.694 2.046 0.768 0.916 1.000 0.909 CB 1.513 12 residues pruned to eliminate duplicates Z: 12 6.408 1.947 0.448 0.440 0.818 0.545 CB 0.891 Z: 6 2.834 1.335 0.666 0.365 0.800 0.400 CB 0.824 Z: 33 33.187 2.080 0.814 0.663 0.938 0.656 CA 1.426 34 residues pruned to eliminate duplicates Z: 11 6.973 1.853 0.267 0.523 0.900 0.700 CB 1.020 11 residues pruned to eliminate duplicates Z: 20 14.202 1.898 0.534 0.424 0.895 0.632 CA 1.354 21 residues pruned to eliminate duplicates Z: 8 5.462 1.616 0.005 0.517 1.000 0.857 CB 1.250 8 residues pruned to eliminate duplicates 6 1.618 1.316 0.216 0.293 0.800 0.400 CB 0.713 ? Z: 7 4.794 1.998 0.161 0.379 0.667 0.667 CB 1.440 4 residues pruned to eliminate duplicates Z: 19 32.775 2.106 0.706 0.931 0.944 0.778 CA 1.590 19 residues pruned to eliminate duplicates Z: 7 3.659 1.674 -0.037 0.367 0.833 0.333 CB 1.283 4 residues pruned to eliminate duplicates Z: 10 8.611 1.574 0.677 0.882 1.000 0.556 CB 0.787 8 residues pruned to eliminate duplicates Z: 17 6.413 1.692 0.194 0.405 0.750 0.312 CB 1.169 17 residues pruned to eliminate duplicates Z: 10 16.564 1.810 0.654 0.838 0.889 0.444 CB 1.550 10 residues pruned to eliminate duplicates Z: 10 2.656 1.374 0.425 0.212 0.667 0.333 O 0.952 Z: 6 6.577 1.524 0.452 0.801 1.000 0.800 CA 1.021 6 residues pruned to eliminate duplicates Z: 8 5.729 1.690 0.243 0.398 0.857 0.429 O 1.339 Z: 10 11.172 1.495 0.849 0.874 1.000 0.778 CA 0.980 9 residues pruned to eliminate duplicates Z: 9 9.097 1.689 0.158 0.782 1.000 0.625 CA 1.283 9 residues pruned to eliminate duplicates Z: 25 19.431 1.971 0.706 0.508 0.958 0.458 CB 1.221 25 residues pruned to eliminate duplicates Z: 9 13.137 1.837 1.010 0.666 1.000 0.625 CA 1.079 12 residues pruned to eliminate duplicates Z: 11 16.479 1.923 0.765 0.655 0.900 0.900 CA 1.476 Z: 21 9.262 1.801 0.183 0.314 0.950 0.550 CA 1.257 21 residues pruned to eliminate duplicates Z: 11 13.444 1.906 0.917 0.487 1.000 0.500 CA 1.179 9 residues pruned to eliminate duplicates Z: 13 10.693 1.771 0.302 0.430 1.000 0.667 CA 1.440 13 residues pruned to eliminate duplicates Z: 17 9.173 1.782 0.491 0.415 0.875 0.562 CB 1.078 17 residues pruned to eliminate duplicates Z: 6 4.680 1.696 0.035 0.739 1.000 0.600 CA 0.962 6 residues pruned to eliminate duplicates Z: 13 14.256 1.884 0.700 0.563 0.833 0.750 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 6.984 1.690 0.348 0.485 0.889 0.333 CB 1.167 10 residues pruned to eliminate duplicates Z: 13 7.703 1.613 0.680 0.460 0.833 0.417 CB 1.026 13 residues pruned to eliminate duplicates Z: 12 12.585 1.799 0.304 0.650 1.000 0.545 CA 1.405 12 residues pruned to eliminate duplicates 6 1.983 1.568 0.141 0.147 0.800 0.800 CB 0.958 ? Z: 7 7.597 1.794 0.020 0.709 1.000 0.500 O 1.401 Z: 8 8.418 1.821 1.004 0.671 1.000 0.857 CB 0.745 8 residues pruned to eliminate duplicates Z: 11 10.161 1.845 0.075 0.623 1.000 0.700 N 1.442 11 residues pruned to eliminate duplicates Z: 11 8.875 1.918 0.680 0.416 0.800 0.700 CA 1.189 9 residues pruned to eliminate duplicates Z: 7 6.369 1.633 0.196 0.876 0.833 0.500 CB 1.161 7 residues pruned to eliminate duplicates Z: 10 3.120 1.665 0.287 0.251 0.667 0.333 CB 0.970 Z: 6 6.722 1.963 0.384 0.444 0.800 0.600 CB 1.465 7 residues pruned to eliminate duplicates Z: 9 4.415 1.567 0.552 0.524 0.750 0.500 CB 0.835 9 residues pruned to eliminate duplicates Z: 19 14.458 2.000 0.375 0.493 0.889 0.444 CB 1.404 19 residues pruned to eliminate duplicates Z: 6 7.864 1.821 0.504 0.435 1.000 0.600 CA 1.373 Z: 18 25.872 2.014 0.562 0.890 0.941 0.471 CA 1.525 18 residues pruned to eliminate duplicates Z: 13 11.174 1.727 0.565 0.475 0.917 0.500 CB 1.336 15 residues pruned to eliminate duplicates Z: 21 17.179 1.824 0.520 0.615 0.950 0.700 CA 1.308 21 residues pruned to eliminate duplicates Z: 6 3.309 1.218 0.368 0.641 1.000 0.600 C 0.778 Z: 7 2.170 1.552 0.187 0.318 0.667 0.333 CB 0.882 Z: 8 2.437 1.690 -0.208 0.283 1.000 0.571 CB 0.879 Z: 24 11.972 1.770 0.620 0.413 0.826 0.478 CA 1.155 43 residues pruned to eliminate duplicates Z: 24 19.470 1.906 0.514 0.717 0.913 0.739 CB 1.266 24 residues pruned to eliminate duplicates Z: 32 18.921 2.129 0.513 0.407 0.903 0.548 CB 1.288 32 residues pruned to eliminate duplicates Z: 16 12.663 1.675 0.899 0.530 1.000 0.533 CA 0.998 16 residues pruned to eliminate duplicates Z: 43 29.804 1.957 0.766 0.643 0.905 0.405 CA 1.287 43 residues pruned to eliminate duplicates Z: 6 5.083 1.588 0.699 0.497 0.800 0.400 C 1.057 6 residues pruned to eliminate duplicates Z: 14 11.139 1.751 0.729 0.468 0.923 0.615 CB 1.142 14 residues pruned to eliminate duplicates Z: 22 20.368 1.889 0.721 0.561 0.905 0.762 CA 1.424 22 residues pruned to eliminate duplicates Z: 15 9.413 1.858 0.682 0.582 0.643 0.429 CB 1.157 15 residues pruned to eliminate duplicates Z: 19 7.372 1.599 0.542 0.203 0.833 0.278 CA 1.203 29 residues pruned to eliminate duplicates Z: 12 14.803 2.266 0.577 0.435 0.909 0.636 CA 1.470 12 residues pruned to eliminate duplicates Z: 11 10.082 1.804 -0.026 0.930 1.000 0.900 CB 1.269 11 residues pruned to eliminate duplicates Z: 8 10.866 2.170 0.938 0.278 0.857 0.429 CB 1.463 8 residues pruned to eliminate duplicates Z: 23 28.629 2.124 0.454 0.720 0.955 0.773 CA 1.698 23 residues pruned to eliminate duplicates Z: 10 10.540 1.555 0.834 0.827 1.000 0.667 CB 0.928 10 residues pruned to eliminate duplicates Z: 6 3.593 1.541 -0.008 0.586 0.800 0.600 C 1.210 Z: 7 2.576 1.301 0.528 0.350 0.833 0.667 N 0.747 Z: 6 3.262 1.475 0.304 0.649 1.000 0.600 CA 0.660 6 residues pruned to eliminate duplicates Z: 27 12.340 1.889 0.442 0.432 0.769 0.423 CB 1.240 27 residues pruned to eliminate duplicates Z: 6 7.365 1.708 0.602 0.632 1.000 1.000 CB 1.064 6 1.488 1.433 0.458 0.428 0.800 0.400 N 0.429 ? Z: 16 23.885 2.067 0.898 0.930 0.933 0.600 CB 1.178 16 residues pruned to eliminate duplicates Z: 9 6.474 1.803 0.206 0.408 0.875 0.625 CA 1.324 Z: 8 4.749 1.581 -0.175 0.593 1.000 0.714 N 1.258 7 residues pruned to eliminate duplicates Z: 47 23.763 2.056 0.484 0.410 0.848 0.478 CB 1.488 47 residues pruned to eliminate duplicates Z: 8 3.293 1.530 0.325 0.329 0.857 0.429 CB 0.864 Z: 28 20.743 1.975 0.654 0.559 0.926 0.630 CB 1.247 24 residues pruned to eliminate duplicates Z: 37 20.078 2.037 0.416 0.378 0.861 0.417 CA 1.534 37 residues pruned to eliminate duplicates Z: 23 18.776 1.963 0.663 0.434 0.818 0.500 CA 1.604 23 residues pruned to eliminate duplicates Z: 21 7.260 1.656 0.157 0.467 0.800 0.550 CA 1.096 19 residues pruned to eliminate duplicates Z: 10 3.861 1.533 0.469 0.229 0.667 0.333 N 1.177 Z: 12 3.617 1.414 0.069 0.314 0.818 0.273 N 1.083 Z: 6 2.017 1.347 0.012 0.472 0.800 0.800 CA 0.851 6 residues pruned to eliminate duplicates Z: 11 7.489 1.919 0.350 0.410 0.900 0.700 CB 1.116 11 residues pruned to eliminate duplicates Z: 7 8.309 1.750 0.469 0.689 1.000 0.833 CA 1.110 7 residues pruned to eliminate duplicates Z: 7 3.216 1.741 0.618 0.346 0.500 0.333 N 1.101 7 residues pruned to eliminate duplicates Z: 9 7.583 1.726 0.283 0.670 1.000 0.875 CB 1.035 15 residues pruned to eliminate duplicates Z: 9 13.021 1.887 0.523 0.621 0.875 0.625 CA 1.633 9 residues pruned to eliminate duplicates Z: 9 5.884 1.820 0.191 0.376 0.875 0.500 N 1.252 9 residues pruned to eliminate duplicates Z: 9 6.009 1.933 0.136 0.380 0.750 0.500 CB 1.466 9 residues pruned to eliminate duplicates Z: 9 5.117 1.621 0.110 0.459 0.875 0.625 N 1.199 8 residues pruned to eliminate duplicates Z: 7 3.535 1.388 0.245 0.442 1.000 0.500 N 0.887 9 residues pruned to eliminate duplicates Z: 11 5.507 1.451 0.454 0.466 0.900 0.400 CB 0.950 11 residues pruned to eliminate duplicates Z: 8 5.840 1.710 0.661 0.281 0.714 0.286 CB 1.394 8 residues pruned to eliminate duplicates Z: 6 3.063 1.624 0.056 0.295 0.800 0.600 CB 1.255 Z: 22 36.548 2.141 0.809 0.903 0.952 0.524 CB 1.541 22 residues pruned to eliminate duplicates Z: 10 2.780 1.511 0.050 0.300 0.889 0.333 CB 0.821 10 residues pruned to eliminate duplicates Z: 7 2.077 1.214 0.202 0.235 0.833 0.667 CB 0.949 Z: 6 2.923 1.520 0.254 0.289 0.800 0.800 N 1.086 Z: 9 11.517 1.921 0.876 0.428 1.000 0.750 CA 1.218 9 residues pruned to eliminate duplicates Z: 10 17.795 1.963 0.552 0.864 0.889 0.556 CB 1.606 10 residues pruned to eliminate duplicates Z: 10 7.539 1.707 0.225 0.433 0.889 0.556 CA 1.449 10 residues pruned to eliminate duplicates Z: 37 16.745 2.006 0.428 0.358 0.889 0.444 CB 1.278 37 residues pruned to eliminate duplicates Z: 27 19.293 2.144 0.689 0.342 0.846 0.654 CB 1.466 27 residues pruned to eliminate duplicates Z: 10 5.134 1.509 0.348 0.462 0.778 0.556 C 1.124 Z: 6 2.080 1.361 0.310 0.287 0.800 0.400 CB 0.828 Z: 59 39.957 2.244 0.405 0.625 0.914 0.707 CB 1.618 59 residues pruned to eliminate duplicates Z: 20 15.197 1.900 0.669 0.516 0.895 0.579 CB 1.210 20 residues pruned to eliminate duplicates Z: 8 2.899 1.534 0.281 0.209 0.714 0.429 CB 1.101 8 residues pruned to eliminate duplicates Z: 26 19.757 2.165 0.606 0.464 0.920 0.600 CB 1.281 26 residues pruned to eliminate duplicates Z: 60 43.562 2.261 0.600 0.556 0.949 0.593 CB 1.563 60 residues pruned to eliminate duplicates Z: 21 25.623 2.012 0.494 0.903 0.950 0.700 CB 1.431 21 residues pruned to eliminate duplicates Z: 8 3.969 1.590 0.470 0.482 0.714 0.429 CB 0.915 6 1.804 1.749 0.152 0.536 0.600 0.400 CB 0.644 ? Z: 13 8.757 1.919 0.180 0.533 0.917 0.417 CB 1.179 12 residues pruned to eliminate duplicates Z: 6 3.232 1.452 0.095 0.681 0.800 0.800 CB 0.962 Z: 9 4.036 1.501 0.066 0.516 0.875 0.750 CB 1.003 Z: 6 5.292 1.774 0.022 0.746 1.000 0.800 CB 1.048 Z: 8 6.218 1.535 0.186 0.513 1.000 0.429 CA 1.275 7 residues pruned to eliminate duplicates Z: 11 14.005 1.861 0.489 0.836 0.800 0.600 CB 1.496 11 residues pruned to eliminate duplicates Z: 10 9.441 2.085 0.317 0.433 0.778 0.667 CA 1.580 10 residues pruned to eliminate duplicates Z: 12 3.959 1.637 0.361 0.342 0.727 0.545 CB 0.874 6 residues pruned to eliminate duplicates Z: 9 4.705 1.566 0.790 0.261 0.625 0.375 CA 1.247 Z: 10 6.735 1.524 0.774 0.525 0.889 0.667 CA 0.911 10 residues pruned to eliminate duplicates Z: 11 6.136 1.871 0.496 0.444 0.700 0.700 CB 1.049 11 residues pruned to eliminate duplicates Z: 18 26.189 2.367 1.159 0.293 0.941 0.529 CB 1.666 18 residues pruned to eliminate duplicates Z: 16 7.497 1.741 0.102 0.433 0.867 0.533 CA 1.247 16 residues pruned to eliminate duplicates Z: 7 7.668 2.111 0.495 0.243 1.000 0.500 CB 1.336 7 residues pruned to eliminate duplicates Z: 13 10.521 1.905 0.580 0.406 0.917 0.667 CA 1.215 13 residues pruned to eliminate duplicates 7 1.627 1.373 -0.020 0.694 0.833 0.667 CB 0.497 ? Z: 21 9.832 1.786 0.309 0.317 0.900 0.600 CB 1.278 32 residues pruned to eliminate duplicates Z: 10 8.087 1.947 0.871 0.353 0.667 0.333 CA 1.301 Z: 24 19.747 2.048 0.498 0.561 0.870 0.522 CB 1.454 24 residues pruned to eliminate duplicates Z: 66 35.913 2.092 0.678 0.492 0.877 0.508 CB 1.458 66 residues pruned to eliminate duplicates Z: 13 12.198 1.817 0.326 0.551 1.000 0.417 CB 1.391 12 residues pruned to eliminate duplicates Z: 7 4.005 1.698 1.061 0.356 0.667 0.333 CB 0.819 Z: 6 3.615 1.419 0.365 0.731 0.800 0.800 CA 0.847 Z: 6 3.163 1.506 0.438 0.396 0.800 0.600 CB 0.912 Z: 13 10.516 1.875 0.743 0.502 0.833 0.500 CB 1.113 12 residues pruned to eliminate duplicates Z: 13 15.230 1.942 0.516 0.838 0.833 0.750 CA 1.340 13 residues pruned to eliminate duplicates Z: 10 14.711 2.038 0.667 0.564 1.000 0.778 CB 1.357 10 residues pruned to eliminate duplicates Z: 38 41.845 2.225 0.706 0.647 0.973 0.541 CB 1.624 38 residues pruned to eliminate duplicates Z: 21 16.152 2.098 0.531 0.480 0.850 0.400 CB 1.349 30 residues pruned to eliminate duplicates Z: 11 4.167 1.827 0.212 0.267 0.800 0.500 CB 0.969 10 residues pruned to eliminate duplicates Z: 6 3.831 1.250 0.239 0.781 1.000 0.800 CA 0.864 Z: 43 39.519 2.139 0.711 0.621 0.952 0.500 CB 1.560 43 residues pruned to eliminate duplicates Z: 10 15.111 2.051 0.611 0.729 1.000 0.889 CA 1.240 10 residues pruned to eliminate duplicates Z: 29 28.107 1.989 0.546 0.627 0.964 0.821 CB 1.590 29 residues pruned to eliminate duplicates Z: 9 3.283 1.449 0.327 0.343 0.750 0.500 CB 0.955 Z: 8 7.470 1.938 0.790 0.243 0.857 0.714 CB 1.278 8 residues pruned to eliminate duplicates Z: 6 6.339 1.535 0.239 0.725 1.000 0.600 C 1.217 Z: 21 10.917 1.759 0.656 0.296 0.900 0.450 CB 1.171 21 residues pruned to eliminate duplicates Z: 7 4.762 1.779 0.172 0.649 1.000 0.833 CB 0.811 6 residues pruned to eliminate duplicates Z: 17 17.195 2.044 0.537 0.524 0.812 0.688 CA 1.644 17 residues pruned to eliminate duplicates Z: 54 37.257 2.066 0.716 0.634 0.906 0.585 CA 1.406 54 residues pruned to eliminate duplicates Z: 9 9.972 1.840 0.357 0.670 1.000 0.875 CA 1.206 9 residues pruned to eliminate duplicates Z: 10 8.333 1.589 0.216 0.808 0.889 0.556 CB 1.236 10 residues pruned to eliminate duplicates Z: 10 5.835 1.800 0.247 0.356 0.889 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 16 11.191 1.917 0.237 0.490 0.933 0.667 CB 1.319 16 residues pruned to eliminate duplicates Z: 22 14.660 1.994 0.289 0.552 0.857 0.667 CB 1.380 22 residues pruned to eliminate duplicates Z: 27 24.820 2.117 0.262 0.726 0.923 0.846 CA 1.609 27 residues pruned to eliminate duplicates Z: 26 23.065 2.041 0.491 0.542 0.920 0.640 CA 1.582 26 residues pruned to eliminate duplicates Z: 7 3.292 1.459 0.925 0.562 0.667 0.500 CB 0.676 Z: 10 5.486 1.892 0.379 0.425 0.778 0.333 CB 0.974 8 residues pruned to eliminate duplicates Z: 30 32.043 2.074 0.656 0.656 0.931 0.586 CA 1.610 30 residues pruned to eliminate duplicates Z: 28 32.942 2.087 0.817 0.619 0.963 0.704 CA 1.551 28 residues pruned to eliminate duplicates 6 0.458 1.306 -0.155 0.456 0.600 0.400 CB 0.323 ? Z: 10 6.159 1.544 0.313 0.788 1.000 0.556 CA 0.786 10 residues pruned to eliminate duplicates Z: 8 2.272 1.221 0.456 0.645 1.000 0.714 CB 0.422 Z: 6 2.383 1.492 0.646 0.100 1.000 0.200 CB 0.723 Z: 7 3.223 1.636 0.361 0.240 0.667 0.333 N 1.197 Z: 9 3.341 1.452 0.784 0.285 0.750 0.375 N 0.774 6 1.770 1.555 -0.051 0.261 0.800 0.400 CB 0.881 ? Z: 15 10.902 1.892 0.375 0.505 0.929 0.643 CB 1.200 14 residues pruned to eliminate duplicates 6 1.432 1.272 -0.045 0.344 0.600 0.400 CB 1.041 ? Z: 7 4.728 1.740 0.410 0.302 0.833 0.333 CB 1.177 7 residues pruned to eliminate duplicates Z: 9 2.665 1.549 0.238 0.191 0.625 0.375 CB 1.138 4 residues pruned to eliminate duplicates Z: 16 5.915 1.598 0.371 0.296 0.800 0.467 CB 1.095 14 residues pruned to eliminate duplicates Z: 22 6.402 1.793 0.280 0.343 0.667 0.381 CB 1.083 19 residues pruned to eliminate duplicates Z: 8 3.824 1.437 0.389 0.347 0.714 0.429 CA 1.196 Z: 6 4.636 1.792 0.446 0.881 1.000 1.000 CB 0.579 Z: 13 10.340 1.926 0.525 0.477 0.833 0.500 CA 1.248 13 residues pruned to eliminate duplicates Z: 8 5.162 1.439 0.562 0.546 0.857 0.571 N 0.968 Z: 6 4.386 1.731 0.027 0.469 0.800 0.400 N 1.423 6 residues pruned to eliminate duplicates Z: 25 11.769 1.716 0.375 0.378 1.000 0.583 CA 1.160 23 residues pruned to eliminate duplicates Z: 9 10.985 1.539 0.883 0.861 1.000 0.875 CB 0.985 Z: 15 5.509 1.653 0.206 0.311 0.857 0.500 CB 1.063 15 residues pruned to eliminate duplicates Z: 18 7.320 1.513 0.424 0.331 0.882 0.412 CB 1.124 18 residues pruned to eliminate duplicates Z: 12 7.552 1.628 0.132 0.602 1.000 0.818 CB 1.121 6 residues pruned to eliminate duplicates Z: 31 25.551 2.012 0.595 0.598 0.900 0.667 CB 1.471 31 residues pruned to eliminate duplicates Z: 23 9.113 1.763 0.292 0.353 0.773 0.500 CB 1.294 23 residues pruned to eliminate duplicates Z: 15 4.380 1.636 0.460 0.094 0.786 0.214 CB 1.049 Z: 7 4.186 1.733 0.281 0.377 0.667 0.333 CA 1.316 7 residues pruned to eliminate duplicates Z: 23 16.470 1.981 0.500 0.508 0.818 0.591 CA 1.433 23 residues pruned to eliminate duplicates Z: 9 4.417 1.516 0.301 0.487 0.750 0.375 CB 1.069 9 residues pruned to eliminate duplicates Z: 26 14.814 1.884 0.644 0.373 0.880 0.480 CA 1.244 26 residues pruned to eliminate duplicates 7 0.756 1.459 0.232 0.392 0.833 0.500 CA 0.231 ? Z: 16 7.993 1.659 0.373 0.413 1.000 0.467 CB 0.993 16 residues pruned to eliminate duplicates Z: 8 4.458 1.548 0.172 0.459 0.857 0.714 CA 1.130 Z: 6 3.366 1.694 0.110 0.767 1.000 0.600 CB 0.632 Z: 21 14.969 2.090 0.338 0.524 0.900 0.700 CA 1.298 21 residues pruned to eliminate duplicates Z: 9 5.986 1.759 0.063 0.561 1.000 0.500 CB 1.067 9 residues pruned to eliminate duplicates Z: 15 12.763 1.861 0.509 0.502 0.929 0.500 CA 1.306 21 residues pruned to eliminate duplicates Z: 18 10.584 1.797 0.557 0.324 0.824 0.412 CB 1.351 21 residues pruned to eliminate duplicates Z: 19 27.857 2.078 0.936 0.919 1.000 0.833 CB 1.150 19 residues pruned to eliminate duplicates Z: 8 2.030 1.243 0.226 0.342 0.857 0.571 CB 0.698 Z: 11 7.655 1.714 0.468 0.442 0.800 0.700 CB 1.277 11 residues pruned to eliminate duplicates Z: 11 9.769 1.915 0.494 0.501 0.800 0.600 CA 1.348 12 residues pruned to eliminate duplicates Z: 6 2.627 1.415 -0.091 0.500 0.800 0.600 N 1.142 Z: 11 8.284 1.865 0.512 0.596 0.800 0.800 CB 1.059 9 residues pruned to eliminate duplicates Z: 16 9.402 1.697 0.315 0.328 1.000 0.533 CB 1.314 18 residues pruned to eliminate duplicates Z: 6 3.712 1.583 0.045 0.470 0.800 0.600 C 1.293 5 residues pruned to eliminate duplicates Z: 9 9.015 1.655 0.541 0.829 0.875 0.375 CB 1.075 9 residues pruned to eliminate duplicates Z: 14 10.868 2.135 0.294 0.824 0.846 0.692 CB 0.974 14 residues pruned to eliminate duplicates Z: 7 4.088 1.289 0.053 0.772 1.000 0.833 CB 0.967 Z: 7 4.353 1.756 0.070 0.499 0.833 0.500 N 1.136 5 residues pruned to eliminate duplicates Z: 7 5.556 1.624 0.736 0.523 1.000 0.500 CB 0.786 7 residues pruned to eliminate duplicates Z: 8 7.238 1.751 0.514 0.438 0.857 0.714 C 1.284 Z: 29 31.318 2.074 0.769 0.753 0.964 0.607 CA 1.336 29 residues pruned to eliminate duplicates Z: 15 19.429 1.980 0.525 0.587 1.000 0.857 CB 1.583 15 residues pruned to eliminate duplicates Z: 6 3.783 1.791 0.266 0.619 1.000 0.800 CB 0.666 4 residues pruned to eliminate duplicates Z: 8 5.883 1.740 0.063 0.511 0.857 0.286 C 1.387 Z: 18 10.926 1.885 0.874 0.344 0.706 0.588 CB 1.260 18 residues pruned to eliminate duplicates Z: 6 3.119 1.101 0.716 0.801 0.800 0.800 CB 0.710 Z: 13 4.296 1.590 0.141 0.238 0.917 0.333 CA 1.010 13 residues pruned to eliminate duplicates Z: 9 3.741 1.480 0.236 0.293 0.875 0.375 CB 1.043 Z: 10 4.599 1.627 0.234 0.616 1.000 0.667 CB 0.684 Z: 11 19.361 1.963 0.550 0.857 1.000 0.800 CA 1.483 11 residues pruned to eliminate duplicates Z: 7 3.187 1.502 0.038 0.539 0.833 0.667 CB 0.964 Z: 12 5.848 1.755 0.341 0.340 0.818 0.636 CB 1.090 11 residues pruned to eliminate duplicates Z: 9 11.725 1.813 0.329 0.810 1.000 0.750 CA 1.313 9 residues pruned to eliminate duplicates Z: 12 8.722 1.703 0.568 0.439 0.909 0.545 CA 1.153 12 residues pruned to eliminate duplicates Z: 16 13.216 1.825 0.670 0.459 1.000 0.667 CA 1.167 16 residues pruned to eliminate duplicates Z: 8 7.471 1.866 0.418 0.502 0.857 0.429 CB 1.243 8 residues pruned to eliminate duplicates Z: 33 15.969 2.032 0.362 0.362 0.750 0.469 CA 1.578 33 residues pruned to eliminate duplicates Z: 8 3.603 1.452 0.135 0.417 0.857 0.571 CB 1.051 4 residues pruned to eliminate duplicates Z: 51 41.113 2.121 0.730 0.589 0.960 0.500 CB 1.515 51 residues pruned to eliminate duplicates Z: 7 4.193 1.622 0.825 0.309 0.667 0.500 N 1.073 7 residues pruned to eliminate duplicates Z: 7 3.147 1.423 0.423 0.527 1.000 0.833 CB 0.618 Z: 19 14.298 1.894 0.621 0.385 0.889 0.667 CA 1.395 18 residues pruned to eliminate duplicates Z: 7 3.392 1.481 0.104 0.443 0.833 0.500 CA 1.078 Z: 20 12.009 1.889 0.333 0.366 0.947 0.579 CA 1.333 20 residues pruned to eliminate duplicates Z: 13 7.426 1.795 0.211 0.307 0.917 0.333 CA 1.334 13 residues pruned to eliminate duplicates Z: 25 8.786 1.867 0.364 0.205 0.792 0.375 CB 1.261 38 residues pruned to eliminate duplicates Z: 8 4.802 1.289 0.799 0.357 0.857 0.571 CB 1.065 Z: 9 8.852 1.841 0.285 0.831 0.875 0.625 CB 1.136 9 residues pruned to eliminate duplicates Z: 18 28.916 2.049 0.822 0.915 0.941 0.529 CA 1.410 18 residues pruned to eliminate duplicates Z: 14 4.407 1.477 0.224 0.225 0.846 0.462 CB 1.102 14 residues pruned to eliminate duplicates Z: 10 5.246 1.733 -0.098 0.344 1.000 0.556 CB 1.324 10 residues pruned to eliminate duplicates Z: 9 4.527 1.448 0.184 0.464 0.875 0.625 CA 1.106 9 residues pruned to eliminate duplicates Z: 7 2.327 1.335 0.366 0.233 0.833 0.500 CB 0.852 Z: 7 12.567 1.839 0.769 0.808 1.000 1.000 CB 1.206 7 residues pruned to eliminate duplicates Z: 17 12.646 1.978 0.587 0.473 0.875 0.562 CB 1.183 17 residues pruned to eliminate duplicates Z: 6 3.996 1.406 0.303 0.461 1.000 0.800 CA 1.016 7 residues pruned to eliminate duplicates Z: 11 12.412 1.729 0.581 0.817 1.000 1.000 CB 1.090 11 residues pruned to eliminate duplicates Z: 20 11.081 1.896 0.327 0.404 0.842 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 15 9.105 1.867 0.427 0.412 0.786 0.429 CB 1.275 15 residues pruned to eliminate duplicates 7 1.759 1.373 -0.017 0.083 1.000 0.333 CB 0.912 ? Z: 10 17.151 1.874 0.808 0.914 1.000 0.444 CB 1.193 10 residues pruned to eliminate duplicates Z: 9 2.505 1.442 0.599 0.183 0.750 0.500 CA 0.749 Z: 6 3.255 1.421 0.205 0.836 0.600 0.600 O 1.061 Z: 17 14.226 1.850 0.642 0.577 1.000 0.500 CB 1.087 17 residues pruned to eliminate duplicates 7 1.467 1.169 0.541 0.360 0.667 0.500 N 0.580 ? Z: 32 20.373 2.136 0.403 0.471 0.968 0.548 CB 1.300 32 residues pruned to eliminate duplicates Z: 68 40.835 2.164 0.702 0.523 0.896 0.552 CB 1.479 68 residues pruned to eliminate duplicates Z: 8 12.735 1.696 0.643 0.901 1.000 0.714 CB 1.233 8 residues pruned to eliminate duplicates 6 1.451 1.385 0.039 0.278 0.800 0.400 CB 0.724 ? 7 1.259 1.639 -0.011 0.156 0.500 0.500 CB 0.966 ? Z: 42 20.375 1.956 0.525 0.547 0.878 0.659 CA 1.161 42 residues pruned to eliminate duplicates Z: 7 7.415 1.650 0.422 0.762 1.000 0.500 CA 1.022 7 residues pruned to eliminate duplicates Z: 14 11.037 1.901 0.428 0.482 1.000 0.615 CB 1.148 17 residues pruned to eliminate duplicates Z: 11 8.328 1.818 0.479 0.366 1.000 0.600 CB 1.131 12 residues pruned to eliminate duplicates Z: 6 4.729 1.315 0.830 0.633 0.800 0.400 C 0.969 Z: 10 10.083 1.736 0.680 0.508 1.000 0.667 CB 1.144 10 residues pruned to eliminate duplicates Z: 12 7.226 1.675 0.216 0.537 0.909 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 47 34.805 2.080 0.686 0.578 0.891 0.565 CB 1.523 47 residues pruned to eliminate duplicates Z: 9 8.631 1.841 0.563 0.415 0.750 0.500 CB 1.545 9 residues pruned to eliminate duplicates Z: 8 5.912 1.762 0.286 0.622 0.857 0.714 CB 1.025 8 residues pruned to eliminate duplicates Z: 44 35.861 2.118 0.706 0.594 0.930 0.488 CB 1.487 44 residues pruned to eliminate duplicates Z: 7 2.971 1.566 0.134 0.385 0.667 0.500 C 1.156 Z: 35 27.984 1.946 0.840 0.639 0.824 0.471 CB 1.428 35 residues pruned to eliminate duplicates Z: 6 4.043 1.855 0.205 0.453 0.600 0.600 CB 1.416 6 residues pruned to eliminate duplicates Z: 11 9.469 1.811 0.394 0.364 1.000 0.400 CB 1.373 11 residues pruned to eliminate duplicates Z: 13 13.785 1.690 0.704 0.813 0.917 0.833 CA 1.148 13 residues pruned to eliminate duplicates Z: 6 3.468 1.518 0.162 0.852 1.000 0.800 CA 0.650 6 residues pruned to eliminate duplicates Z: 6 5.597 1.710 0.317 0.731 0.800 0.400 CA 1.129 6 residues pruned to eliminate duplicates 7 1.724 1.410 0.189 0.280 0.667 0.500 CB 0.807 ? Using tripeptides from previous cycle as seeds Z: 9 11.588 1.863 0.548 0.674 0.875 0.625 CA 1.383 9 residues pruned to eliminate duplicates Z: 8 18.050 2.039 0.743 0.760 1.000 0.714 CA 1.524 8 residues pruned to eliminate duplicates Z: 9 10.449 1.923 0.523 0.639 0.875 0.625 CB 1.267 9 residues pruned to eliminate duplicates Z: 10 11.161 1.804 0.667 0.538 0.889 0.556 CA 1.340 10 residues pruned to eliminate duplicates Z: 8 17.761 2.101 0.774 0.743 1.000 0.429 CA 1.449 8 residues pruned to eliminate duplicates Z: 6 3.725 1.500 0.194 0.326 1.000 0.600 C 1.126 Z: 6 3.260 1.639 0.303 0.384 0.600 0.200 N 1.287 6 residues pruned to eliminate duplicates Z: 22 11.288 1.836 0.274 0.336 0.952 0.571 CB 1.322 22 residues pruned to eliminate duplicates Z: 20 13.544 1.918 0.357 0.395 0.947 0.526 CB 1.407 20 residues pruned to eliminate duplicates Z: 19 14.376 1.936 0.462 0.428 0.944 0.667 CB 1.367 18 residues pruned to eliminate duplicates Z: 7 8.542 1.827 0.442 0.480 1.000 0.833 CA 1.350 7 residues pruned to eliminate duplicates Z: 20 11.566 1.854 0.417 0.329 0.947 0.632 CB 1.286 20 residues pruned to eliminate duplicates Z: 21 12.222 1.846 0.424 0.327 0.950 0.750 CA 1.324 21 residues pruned to eliminate duplicates Z: 18 15.337 2.023 0.475 0.369 1.000 0.706 CB 1.434 18 residues pruned to eliminate duplicates Z: 20 11.559 1.910 0.344 0.343 0.947 0.579 CA 1.294 20 residues pruned to eliminate duplicates Z: 33 16.050 1.945 0.375 0.321 0.875 0.531 CB 1.475 32 residues pruned to eliminate duplicates Z: 6 6.551 1.943 0.317 0.426 1.000 0.800 CA 1.237 6 residues pruned to eliminate duplicates Z: 20 10.980 1.885 0.328 0.345 0.842 0.579 CA 1.414 20 residues pruned to eliminate duplicates Z: 20 12.260 1.893 0.402 0.313 0.947 0.632 CA 1.376 20 residues pruned to eliminate duplicates Z: 38 15.173 1.937 0.441 0.291 0.811 0.432 CB 1.392 38 residues pruned to eliminate duplicates Z: 20 9.419 1.874 0.090 0.333 0.947 0.684 CA 1.340 20 residues pruned to eliminate duplicates Z: 21 10.544 1.836 0.300 0.302 0.900 0.450 CA 1.369 21 residues pruned to eliminate duplicates Z: 26 12.636 1.953 0.403 0.308 0.800 0.560 CB 1.427 26 residues pruned to eliminate duplicates Z: 33 13.211 1.871 0.453 0.272 0.781 0.438 CB 1.425 33 residues pruned to eliminate duplicates Z: 9 8.138 1.998 0.498 0.388 0.750 0.500 CB 1.443 9 residues pruned to eliminate duplicates Z: 13 7.247 2.027 0.501 0.283 0.667 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 25 11.622 2.014 0.254 0.303 0.792 0.583 CB 1.478 25 residues pruned to eliminate duplicates Z: 15 6.973 1.810 0.529 0.307 0.643 0.429 CB 1.298 15 residues pruned to eliminate duplicates Z: 14 9.010 1.950 0.582 0.371 0.769 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 10 11.020 2.164 0.606 0.386 0.778 0.556 N 1.534 10 residues pruned to eliminate duplicates Z: 13 9.535 2.044 0.608 0.272 0.750 0.500 CB 1.447 13 residues pruned to eliminate duplicates Z: 10 11.780 2.128 0.692 0.438 0.778 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 17 7.368 1.896 0.444 0.273 0.750 0.375 CB 1.160 17 residues pruned to eliminate duplicates Z: 20 8.956 1.916 0.627 0.260 0.737 0.368 CB 1.176 20 residues pruned to eliminate duplicates Z: 40 14.032 1.951 0.441 0.280 0.744 0.462 CB 1.379 40 residues pruned to eliminate duplicates Z: 18 7.037 2.039 0.556 0.285 0.529 0.412 CB 1.294 18 residues pruned to eliminate duplicates Z: 14 6.457 1.703 0.377 0.257 0.846 0.231 CB 1.193 14 residues pruned to eliminate duplicates Z: 8 4.429 1.812 0.542 0.225 1.000 0.286 CB 0.826 8 residues pruned to eliminate duplicates Z: 14 5.891 1.780 0.618 0.182 0.769 0.154 CB 1.081 13 residues pruned to eliminate duplicates Z: 7 6.627 1.520 0.732 0.485 1.000 0.667 N 1.044 7 residues pruned to eliminate duplicates Z: 10 11.787 1.824 0.491 0.599 0.889 0.778 CA 1.479 10 residues pruned to eliminate duplicates Z: 9 10.679 1.842 0.536 0.577 0.875 0.750 CA 1.416 9 residues pruned to eliminate duplicates Z: 9 12.728 1.886 0.385 0.704 0.875 0.750 CA 1.635 9 residues pruned to eliminate duplicates Z: 9 15.391 1.936 0.553 0.691 0.875 0.750 CA 1.736 9 residues pruned to eliminate duplicates Z: 15 11.352 1.725 0.469 0.455 0.929 0.429 CA 1.350 12 residues pruned to eliminate duplicates Z: 6 6.436 1.476 1.066 0.441 1.000 0.800 CA 1.002 6 residues pruned to eliminate duplicates Z: 16 9.779 1.726 0.395 0.491 0.933 0.733 CA 1.133 16 residues pruned to eliminate duplicates Z: 12 10.670 1.835 0.483 0.547 0.818 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 13 12.368 1.876 0.561 0.483 0.917 0.750 CA 1.352 16 residues pruned to eliminate duplicates Z: 6 4.391 1.432 0.805 0.299 0.800 0.600 C 1.189 8 residues pruned to eliminate duplicates Z: 11 13.109 2.037 0.428 0.667 0.900 0.700 CB 1.357 10 residues pruned to eliminate duplicates Z: 14 10.117 1.856 0.487 0.574 0.846 0.538 CB 1.119 14 residues pruned to eliminate duplicates Z: 12 8.937 1.933 0.431 0.593 0.727 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 12 12.180 1.904 0.533 0.618 0.909 0.636 CB 1.238 13 residues pruned to eliminate duplicates Z: 12 13.274 1.965 0.310 0.655 1.000 0.545 CB 1.347 11 residues pruned to eliminate duplicates Z: 12 12.574 1.979 0.342 0.658 0.909 0.545 CB 1.356 12 residues pruned to eliminate duplicates Z: 13 9.235 1.773 0.553 0.547 0.833 0.500 CB 1.110 14 residues pruned to eliminate duplicates Z: 14 8.051 1.838 0.639 0.350 0.769 0.538 CA 1.134 14 residues pruned to eliminate duplicates Z: 6 2.568 1.233 0.950 0.311 0.800 0.400 N 0.736 6 residues pruned to eliminate duplicates Z: 10 6.379 1.387 0.880 0.540 0.778 0.444 N 1.009 10 residues pruned to eliminate duplicates Z: 6 3.578 1.596 0.194 0.369 0.800 0.600 CB 1.207 Z: 6 6.482 1.836 0.501 0.459 1.000 0.400 CA 1.097 6 residues pruned to eliminate duplicates Z: 19 8.958 1.995 0.389 0.443 0.778 0.611 CB 1.040 20 residues pruned to eliminate duplicates Z: 7 6.718 1.798 0.318 0.527 0.833 0.500 CA 1.352 7 residues pruned to eliminate duplicates Z: 17 12.506 1.847 0.525 0.424 0.875 0.625 CA 1.372 17 residues pruned to eliminate duplicates Z: 14 8.498 1.878 0.334 0.408 0.769 0.462 CB 1.347 14 residues pruned to eliminate duplicates Z: 16 10.151 1.870 0.424 0.437 0.800 0.400 CB 1.314 16 residues pruned to eliminate duplicates Z: 13 11.982 1.859 0.184 0.576 1.000 0.583 CA 1.460 13 residues pruned to eliminate duplicates Z: 16 10.974 1.894 0.423 0.444 0.867 0.467 CB 1.284 16 residues pruned to eliminate duplicates Z: 17 10.115 1.838 0.514 0.360 0.875 0.500 CB 1.209 17 residues pruned to eliminate duplicates Z: 21 10.055 1.778 0.268 0.373 0.900 0.600 CB 1.270 21 residues pruned to eliminate duplicates Z: 17 9.053 1.895 0.277 0.394 0.688 0.375 CB 1.521 17 residues pruned to eliminate duplicates Z: 16 12.021 1.882 0.462 0.402 0.867 0.533 CA 1.443 16 residues pruned to eliminate duplicates Z: 6 2.214 1.655 0.567 0.271 0.600 0.600 CB 0.826 6 residues pruned to eliminate duplicates Z: 37 13.206 1.867 0.238 0.350 0.833 0.611 CB 1.344 66 residues pruned to eliminate duplicates Z: 6 4.606 1.700 1.129 0.333 0.800 0.600 CA 0.854 6 residues pruned to eliminate duplicates Z: 49 34.568 2.028 0.675 0.645 0.938 0.729 CA 1.368 49 residues pruned to eliminate duplicates Z: 46 34.302 2.042 0.587 0.689 0.978 0.578 CA 1.357 46 residues pruned to eliminate duplicates Z: 67 38.933 2.060 0.664 0.592 0.924 0.682 CA 1.385 67 residues pruned to eliminate duplicates Z: 32 26.133 2.016 0.626 0.654 0.968 0.710 CA 1.282 32 residues pruned to eliminate duplicates Z: 35 26.228 2.035 0.597 0.619 0.912 0.588 CA 1.357 35 residues pruned to eliminate duplicates Z: 38 36.115 2.097 0.633 0.705 0.973 0.568 CA 1.479 38 residues pruned to eliminate duplicates Z: 30 26.723 2.025 0.683 0.601 0.897 0.586 CA 1.475 30 residues pruned to eliminate duplicates Z: 41 31.120 2.009 0.687 0.657 0.900 0.600 CA 1.394 41 residues pruned to eliminate duplicates Z: 47 37.963 2.067 0.774 0.654 0.913 0.500 CA 1.448 47 residues pruned to eliminate duplicates Z: 67 38.252 2.016 0.723 0.544 0.894 0.500 CA 1.452 67 residues pruned to eliminate duplicates Z: 36 29.775 2.028 0.768 0.599 0.914 0.600 CA 1.397 36 residues pruned to eliminate duplicates Z: 47 37.998 2.048 0.753 0.692 0.957 0.652 CA 1.368 47 residues pruned to eliminate duplicates Z: 27 30.712 2.117 0.732 0.653 0.923 0.538 CA 1.544 27 residues pruned to eliminate duplicates Z: 27 32.778 2.094 0.866 0.739 0.923 0.654 CA 1.439 27 residues pruned to eliminate duplicates Z: 41 31.899 2.050 0.667 0.685 0.900 0.650 CA 1.384 41 residues pruned to eliminate duplicates Z: 49 34.833 2.015 0.724 0.667 0.917 0.604 CA 1.353 49 residues pruned to eliminate duplicates Z: 41 38.600 2.064 0.823 0.682 0.950 0.600 CA 1.444 41 residues pruned to eliminate duplicates Z: 37 28.290 2.019 0.760 0.616 0.889 0.611 CA 1.338 37 residues pruned to eliminate duplicates Z: 43 36.365 1.982 0.752 0.693 0.952 0.524 CA 1.422 43 residues pruned to eliminate duplicates Z: 50 35.497 1.992 0.718 0.653 0.939 0.653 CA 1.369 50 residues pruned to eliminate duplicates Z: 33 30.603 2.045 0.769 0.650 0.938 0.562 CA 1.388 33 residues pruned to eliminate duplicates Z: 38 27.256 1.998 0.757 0.539 0.919 0.568 CA 1.337 38 residues pruned to eliminate duplicates Z: 48 36.909 2.017 0.869 0.649 0.936 0.553 CA 1.328 48 residues pruned to eliminate duplicates Z: 40 25.124 1.965 0.711 0.532 0.821 0.564 CA 1.413 40 residues pruned to eliminate duplicates Z: 46 38.451 2.042 0.836 0.693 0.911 0.644 CA 1.406 46 residues pruned to eliminate duplicates Z: 48 36.082 2.045 0.721 0.648 0.957 0.553 CA 1.361 48 residues pruned to eliminate duplicates Z: 41 35.141 1.974 0.681 0.704 0.975 0.675 CA 1.427 41 residues pruned to eliminate duplicates Z: 31 26.711 2.030 0.712 0.601 0.867 0.433 CA 1.471 31 residues pruned to eliminate duplicates Z: 35 34.572 2.037 0.829 0.722 0.912 0.676 CA 1.429 35 residues pruned to eliminate duplicates Z: 39 36.367 2.054 0.711 0.727 0.895 0.500 CA 1.529 39 residues pruned to eliminate duplicates Z: 42 36.075 2.051 0.872 0.651 0.902 0.610 CA 1.412 42 residues pruned to eliminate duplicates Z: 46 36.290 2.018 0.739 0.654 0.933 0.689 CA 1.431 46 residues pruned to eliminate duplicates Z: 48 31.403 1.944 0.738 0.601 0.872 0.511 CA 1.411 48 residues pruned to eliminate duplicates Z: 49 33.385 2.039 0.712 0.658 0.854 0.562 CA 1.396 49 residues pruned to eliminate duplicates Z: 45 39.691 2.071 0.779 0.704 0.955 0.750 CA 1.414 45 residues pruned to eliminate duplicates Z: 68 41.444 2.054 0.810 0.538 0.910 0.522 CA 1.441 68 residues pruned to eliminate duplicates Z: 42 34.334 2.044 0.639 0.684 0.927 0.561 CA 1.458 42 residues pruned to eliminate duplicates Z: 30 17.807 1.996 0.537 0.327 0.897 0.483 CA 1.454 30 residues pruned to eliminate duplicates Z: 47 37.771 2.060 0.777 0.694 0.978 0.500 CA 1.303 47 residues pruned to eliminate duplicates Z: 49 35.946 2.033 0.673 0.715 0.938 0.667 CA 1.339 49 residues pruned to eliminate duplicates Z: 23 16.653 1.872 0.720 0.439 0.864 0.591 CA 1.360 23 residues pruned to eliminate duplicates Z: 13 15.086 1.977 0.669 0.663 0.833 0.250 CA 1.363 13 residues pruned to eliminate duplicates Z: 65 38.473 2.097 0.667 0.590 0.906 0.594 CA 1.392 65 residues pruned to eliminate duplicates Z: 69 40.047 2.032 0.672 0.563 0.941 0.485 CA 1.428 69 residues pruned to eliminate duplicates Z: 66 41.235 2.076 0.814 0.550 0.892 0.354 CA 1.450 66 residues pruned to eliminate duplicates Z: 65 40.141 2.083 0.697 0.552 0.938 0.453 CA 1.439 65 residues pruned to eliminate duplicates Z: 63 36.660 2.077 0.635 0.541 0.903 0.468 CA 1.459 63 residues pruned to eliminate duplicates Z: 66 36.640 2.065 0.632 0.552 0.892 0.508 CA 1.437 66 residues pruned to eliminate duplicates Z: 20 13.790 2.089 0.711 0.259 0.737 0.368 CA 1.583 20 residues pruned to eliminate duplicates Z: 19 14.206 2.082 0.619 0.316 0.833 0.389 CA 1.461 19 residues pruned to eliminate duplicates Z: 20 15.275 2.095 0.603 0.268 0.895 0.421 CA 1.519 20 residues pruned to eliminate duplicates Z: 29 13.646 2.046 0.453 0.231 0.857 0.464 CA 1.384 29 residues pruned to eliminate duplicates Z: 20 15.524 2.064 0.637 0.271 0.842 0.421 CA 1.623 20 residues pruned to eliminate duplicates Z: 23 13.731 2.043 0.578 0.287 0.818 0.545 CA 1.410 23 residues pruned to eliminate duplicates Z: 20 17.020 2.071 0.754 0.276 0.842 0.316 CA 1.644 20 residues pruned to eliminate duplicates Z: 25 15.092 1.995 0.550 0.328 0.875 0.542 CA 1.376 25 residues pruned to eliminate duplicates Z: 31 24.719 2.126 0.577 0.405 0.933 0.500 CA 1.593 31 residues pruned to eliminate duplicates Z: 25 21.181 2.123 0.470 0.445 0.917 0.458 CA 1.599 25 residues pruned to eliminate duplicates Z: 11 7.942 1.753 0.385 0.492 0.900 0.300 CA 1.158 11 residues pruned to eliminate duplicates Z: 25 20.130 2.124 0.512 0.435 0.875 0.375 CA 1.564 25 residues pruned to eliminate duplicates Z: 10 9.731 1.797 0.663 0.668 0.889 0.556 CA 1.045 10 residues pruned to eliminate duplicates Z: 26 19.327 2.062 0.533 0.429 0.880 0.480 CA 1.496 26 residues pruned to eliminate duplicates Z: 26 17.171 2.054 0.380 0.443 0.880 0.480 CA 1.461 26 residues pruned to eliminate duplicates Z: 11 9.823 1.657 0.403 0.749 0.900 0.400 CA 1.188 11 residues pruned to eliminate duplicates Z: 26 18.137 2.081 0.488 0.422 0.840 0.440 CA 1.512 26 residues pruned to eliminate duplicates Z: 11 13.206 1.943 0.457 0.631 1.000 0.800 CA 1.305 11 residues pruned to eliminate duplicates Z: 25 20.558 2.124 0.416 0.479 0.917 0.500 CA 1.554 25 residues pruned to eliminate duplicates Z: 27 17.585 2.030 0.634 0.403 0.769 0.500 CA 1.497 27 residues pruned to eliminate duplicates Z: 6 2.073 1.999 -0.127 0.398 0.400 0.200 CB 1.479 5 residues pruned to eliminate duplicates Z: 7 2.635 1.263 0.756 0.437 0.833 0.333 O 0.621 7 residues pruned to eliminate duplicates Z: 27 11.360 1.879 0.560 0.332 0.846 0.385 CB 1.080 27 residues pruned to eliminate duplicates Z: 18 9.878 1.881 0.396 0.350 0.882 0.647 CB 1.217 18 residues pruned to eliminate duplicates Z: 18 9.283 1.875 0.308 0.326 0.941 0.529 CA 1.180 18 residues pruned to eliminate duplicates Z: 19 11.243 1.900 0.398 0.374 0.944 0.667 CB 1.208 19 residues pruned to eliminate duplicates Z: 19 10.104 1.818 0.501 0.333 0.944 0.833 CB 1.109 19 residues pruned to eliminate duplicates Z: 18 12.624 1.937 0.483 0.383 1.000 0.706 CB 1.208 18 residues pruned to eliminate duplicates Z: 18 13.773 1.952 0.555 0.408 0.941 0.588 CA 1.287 18 residues pruned to eliminate duplicates Z: 21 11.741 1.896 0.471 0.370 0.900 0.500 CA 1.203 21 residues pruned to eliminate duplicates Z: 21 11.521 1.871 0.463 0.413 0.850 0.500 CA 1.213 21 residues pruned to eliminate duplicates Z: 17 12.206 1.880 0.439 0.401 1.000 0.562 CB 1.251 17 residues pruned to eliminate duplicates Z: 19 10.244 1.792 0.376 0.430 0.944 0.722 CB 1.115 19 residues pruned to eliminate duplicates Z: 50 21.290 1.952 0.530 0.401 0.918 0.592 CA 1.232 50 residues pruned to eliminate duplicates Z: 22 13.041 1.935 0.536 0.323 1.000 0.619 CA 1.163 22 residues pruned to eliminate duplicates Z: 17 10.268 1.896 0.346 0.427 1.000 0.625 CB 1.085 17 residues pruned to eliminate duplicates Z: 24 10.918 1.856 0.445 0.279 0.913 0.522 CB 1.193 24 residues pruned to eliminate duplicates Z: 19 14.634 1.993 0.628 0.470 0.889 0.611 CB 1.233 19 residues pruned to eliminate duplicates Z: 27 16.111 2.010 0.623 0.439 0.808 0.462 CB 1.277 27 residues pruned to eliminate duplicates Z: 31 19.116 1.996 0.555 0.473 0.900 0.633 CB 1.284 31 residues pruned to eliminate duplicates Z: 29 18.295 1.995 0.611 0.432 0.929 0.571 CB 1.243 27 residues pruned to eliminate duplicates Z: 7 5.959 1.375 1.285 0.428 0.833 0.333 CA 1.001 7 residues pruned to eliminate duplicates Z: 27 21.534 2.099 0.602 0.526 0.885 0.577 CB 1.384 27 residues pruned to eliminate duplicates Z: 48 20.565 1.961 0.548 0.391 0.872 0.532 CB 1.270 48 residues pruned to eliminate duplicates Z: 30 18.298 2.042 0.629 0.467 0.828 0.621 CB 1.276 30 residues pruned to eliminate duplicates Z: 42 21.991 2.032 0.480 0.466 0.951 0.561 CB 1.243 42 residues pruned to eliminate duplicates Z: 29 18.900 2.010 0.658 0.503 0.857 0.571 CB 1.247 29 residues pruned to eliminate duplicates Z: 26 23.762 2.103 0.678 0.554 0.960 0.600 CA 1.331 26 residues pruned to eliminate duplicates Z: 29 17.565 2.038 0.664 0.421 0.821 0.464 CB 1.294 29 residues pruned to eliminate duplicates Z: 29 20.770 2.050 0.694 0.509 0.893 0.571 CB 1.255 29 residues pruned to eliminate duplicates Z: 28 21.430 2.020 0.703 0.480 0.889 0.519 CB 1.377 28 residues pruned to eliminate duplicates Z: 24 24.734 2.074 0.772 0.566 0.957 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 29 20.551 1.972 0.741 0.489 0.929 0.536 CB 1.231 30 residues pruned to eliminate duplicates Z: 6 4.107 1.610 0.399 0.333 1.000 0.600 CA 0.978 6 residues pruned to eliminate duplicates Z: 28 21.641 2.057 0.688 0.480 0.889 0.519 CB 1.377 28 residues pruned to eliminate duplicates Z: 28 21.333 1.996 0.693 0.490 0.926 0.556 CB 1.325 28 residues pruned to eliminate duplicates Z: 29 17.084 1.957 0.749 0.472 0.857 0.500 CB 1.132 29 residues pruned to eliminate duplicates Z: 27 22.281 2.109 0.634 0.497 0.923 0.615 CB 1.377 27 residues pruned to eliminate duplicates Z: 23 18.320 2.041 0.679 0.495 0.909 0.455 CB 1.260 24 residues pruned to eliminate duplicates Z: 14 13.296 1.999 0.561 0.511 0.923 0.615 CB 1.266 13 residues pruned to eliminate duplicates Z: 29 19.258 2.053 0.494 0.395 0.857 0.429 CB 1.547 29 residues pruned to eliminate duplicates Z: 20 15.581 1.994 0.426 0.369 0.947 0.579 CA 1.528 20 residues pruned to eliminate duplicates Z: 31 16.625 2.083 0.461 0.318 0.833 0.400 CB 1.463 31 residues pruned to eliminate duplicates Z: 20 16.698 2.043 0.427 0.388 0.947 0.421 CB 1.562 20 residues pruned to eliminate duplicates Z: 13 13.355 1.966 0.396 0.560 0.917 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 13 13.698 2.004 0.495 0.466 1.000 0.583 CB 1.366 13 residues pruned to eliminate duplicates Z: 21 13.600 1.970 0.487 0.387 0.850 0.500 CB 1.377 21 residues pruned to eliminate duplicates Z: 22 15.686 1.981 0.451 0.390 0.905 0.476 CB 1.478 22 residues pruned to eliminate duplicates Z: 21 13.768 1.982 0.383 0.345 0.900 0.600 CA 1.477 21 residues pruned to eliminate duplicates Z: 39 16.979 1.998 0.356 0.356 0.842 0.447 CB 1.410 39 residues pruned to eliminate duplicates Z: 20 18.441 2.029 0.550 0.405 0.947 0.684 CA 1.569 21 residues pruned to eliminate duplicates Z: 7 6.345 1.645 0.760 0.306 1.000 0.333 CB 1.110 Z: 6 8.476 1.892 0.997 0.339 0.800 0.600 CB 1.495 6 residues pruned to eliminate duplicates Z: 15 9.203 2.121 0.182 0.241 0.786 0.429 CA 1.684 15 residues pruned to eliminate duplicates Z: 15 9.491 2.041 0.196 0.338 0.857 0.643 CB 1.446 15 residues pruned to eliminate duplicates Z: 30 18.072 2.016 0.364 0.364 0.931 0.655 CB 1.517 30 residues pruned to eliminate duplicates Z: 13 10.993 2.044 0.340 0.385 0.917 0.583 CB 1.429 13 residues pruned to eliminate duplicates Z: 42 16.914 2.089 0.392 0.302 0.805 0.341 CB 1.408 42 residues pruned to eliminate duplicates Z: 13 8.172 2.019 0.215 0.294 0.750 0.417 CB 1.616 13 residues pruned to eliminate duplicates Z: 28 12.105 2.143 0.418 0.296 0.815 0.444 CB 1.182 28 residues pruned to eliminate duplicates Z: 22 8.787 2.073 0.294 0.216 0.762 0.381 CB 1.311 22 residues pruned to eliminate duplicates Z: 21 11.415 2.019 0.400 0.350 0.750 0.300 CB 1.418 21 residues pruned to eliminate duplicates Z: 25 12.046 2.025 0.345 0.346 0.792 0.542 CB 1.348 25 residues pruned to eliminate duplicates Z: 31 13.016 2.077 0.544 0.281 0.767 0.433 CB 1.238 31 residues pruned to eliminate duplicates Z: 15 9.121 2.091 0.426 0.234 0.857 0.357 CB 1.300 15 residues pruned to eliminate duplicates Z: 20 8.223 1.945 0.466 0.318 0.684 0.316 CB 1.182 20 residues pruned to eliminate duplicates Z: 13 3.993 2.035 0.003 0.134 0.833 0.417 CB 1.069 13 residues pruned to eliminate duplicates Z: 13 6.678 2.057 0.538 0.216 0.750 0.417 CB 1.135 13 residues pruned to eliminate duplicates Z: 19 9.257 2.027 0.433 0.261 0.778 0.333 CB 1.270 19 residues pruned to eliminate duplicates Z: 16 6.444 2.060 0.463 0.260 0.667 0.400 CB 1.090 16 residues pruned to eliminate duplicates Z: 28 9.124 2.049 0.346 0.249 0.704 0.333 CB 1.207 28 residues pruned to eliminate duplicates Z: 15 6.452 1.958 0.510 0.162 0.857 0.286 CB 1.027 15 residues pruned to eliminate duplicates Z: 9 5.996 1.972 0.304 0.235 0.750 0.500 N 1.495 9 residues pruned to eliminate duplicates Z: 19 10.803 1.951 0.613 0.239 0.833 0.500 CB 1.313 19 residues pruned to eliminate duplicates Z: 47 24.760 2.022 0.401 0.491 0.913 0.587 CB 1.424 47 residues pruned to eliminate duplicates Z: 20 9.027 2.014 0.401 0.251 0.684 0.368 CB 1.429 20 residues pruned to eliminate duplicates Z: 27 24.425 2.052 0.432 0.630 0.923 0.615 CB 1.563 27 residues pruned to eliminate duplicates Z: 9 7.270 1.782 0.493 0.420 0.750 0.500 CB 1.399 9 residues pruned to eliminate duplicates Z: 17 8.528 1.833 0.357 0.341 0.750 0.562 N 1.359 17 residues pruned to eliminate duplicates Z: 18 11.925 1.899 0.491 0.361 0.824 0.588 CA 1.441 18 residues pruned to eliminate duplicates Z: 52 31.405 2.096 0.620 0.484 0.922 0.569 CB 1.428 52 residues pruned to eliminate duplicates Z: 30 26.718 2.001 0.561 0.658 0.897 0.690 CB 1.531 30 residues pruned to eliminate duplicates Z: 28 29.212 2.054 0.560 0.748 0.963 0.889 CB 1.461 28 residues pruned to eliminate duplicates Z: 24 23.916 2.147 0.417 0.606 0.913 0.652 CB 1.622 24 residues pruned to eliminate duplicates Z: 24 18.516 1.986 0.506 0.612 0.870 0.652 CB 1.336 24 residues pruned to eliminate duplicates Z: 35 20.806 1.832 0.605 0.593 0.941 0.676 CB 1.180 35 residues pruned to eliminate duplicates Z: 20 21.490 2.148 0.410 0.744 0.947 0.632 CB 1.381 20 residues pruned to eliminate duplicates Z: 24 21.281 2.011 0.604 0.667 0.913 0.609 CB 1.291 24 residues pruned to eliminate duplicates Z: 23 26.367 2.007 0.852 0.718 0.909 0.636 CB 1.366 23 residues pruned to eliminate duplicates Z: 53 33.473 2.110 0.702 0.488 0.885 0.615 CB 1.479 53 residues pruned to eliminate duplicates Z: 22 24.062 2.042 0.606 0.777 0.952 0.667 CB 1.317 22 residues pruned to eliminate duplicates Z: 48 33.034 2.188 0.795 0.453 0.872 0.532 CB 1.477 48 residues pruned to eliminate duplicates Z: 31 26.066 2.001 0.588 0.662 0.867 0.567 CB 1.488 31 residues pruned to eliminate duplicates Z: 23 22.346 2.112 0.575 0.616 0.864 0.591 CB 1.485 23 residues pruned to eliminate duplicates Z: 26 25.724 2.075 0.632 0.636 0.880 0.640 CB 1.520 26 residues pruned to eliminate duplicates Z: 46 33.483 2.207 0.783 0.459 0.867 0.578 CB 1.526 46 residues pruned to eliminate duplicates Z: 25 25.985 2.101 0.709 0.645 0.833 0.583 CB 1.547 25 residues pruned to eliminate duplicates Z: 40 27.025 2.069 0.721 0.459 0.872 0.564 CB 1.454 40 residues pruned to eliminate duplicates Z: 35 30.615 2.037 0.739 0.538 0.912 0.588 CA 1.566 35 residues pruned to eliminate duplicates Z: 44 23.177 2.080 0.694 0.370 0.767 0.488 CB 1.503 44 residues pruned to eliminate duplicates Z: 39 33.738 2.178 0.711 0.473 0.947 0.632 CB 1.593 39 residues pruned to eliminate duplicates Z: 35 22.582 2.098 0.855 0.410 0.794 0.441 CB 1.377 35 residues pruned to eliminate duplicates Z: 18 11.568 2.076 0.553 0.298 0.882 0.471 CB 1.236 18 residues pruned to eliminate duplicates Z: 48 34.973 2.181 0.851 0.465 0.851 0.660 CB 1.538 42 residues pruned to eliminate duplicates Z: 6 3.295 1.300 1.110 0.125 1.000 0.600 CA 0.860 6 residues pruned to eliminate duplicates Z: 16 12.866 2.096 0.901 0.212 0.800 0.333 CB 1.463 9 residues pruned to eliminate duplicates Z: 7 4.840 1.709 1.045 0.232 0.667 0.167 CA 1.159 7 residues pruned to eliminate duplicates Z: 41 30.006 2.180 0.891 0.453 0.875 0.425 CB 1.380 41 residues pruned to eliminate duplicates Z: 26 21.926 2.257 0.763 0.439 0.880 0.640 CB 1.333 26 residues pruned to eliminate duplicates Z: 56 34.483 2.129 0.726 0.477 0.909 0.564 CB 1.425 56 residues pruned to eliminate duplicates Z: 55 31.125 2.096 0.679 0.400 0.870 0.574 CB 1.537 46 residues pruned to eliminate duplicates Z: 6 3.448 1.861 0.718 0.363 0.600 0.400 CA 0.931 Z: 27 20.558 2.153 0.891 0.331 0.808 0.538 CB 1.475 33 residues pruned to eliminate duplicates Z: 7 2.471 1.500 0.766 0.242 0.667 0.333 CA 0.769 Z: 27 26.074 2.232 0.910 0.460 0.923 0.538 CB 1.354 39 residues pruned to eliminate duplicates Z: 7 6.611 1.532 0.720 0.410 1.000 0.667 CA 1.126 Z: 27 23.573 2.205 0.819 0.409 0.885 0.577 CB 1.433 27 residues pruned to eliminate duplicates Z: 57 30.014 2.123 0.667 0.399 0.875 0.607 CB 1.440 57 residues pruned to eliminate duplicates Z: 22 19.619 2.273 0.765 0.305 0.905 0.381 CB 1.465 22 residues pruned to eliminate duplicates Z: 48 31.944 2.192 0.647 0.447 0.872 0.596 CB 1.563 48 residues pruned to eliminate duplicates Z: 26 24.423 2.260 1.007 0.402 0.840 0.600 CB 1.422 26 residues pruned to eliminate duplicates Z: 29 21.401 2.165 0.845 0.369 0.857 0.429 CB 1.359 29 residues pruned to eliminate duplicates Z: 26 27.189 2.272 1.032 0.413 0.880 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 48 28.735 2.151 0.727 0.437 0.894 0.532 CB 1.349 48 residues pruned to eliminate duplicates Z: 7 7.732 1.997 0.451 0.378 0.833 0.167 CA 1.488 7 residues pruned to eliminate duplicates Z: 25 11.574 1.877 0.638 0.360 0.792 0.375 CB 1.129 28 residues pruned to eliminate duplicates Z: 6 7.434 1.766 1.034 0.429 0.800 0.800 CB 1.245 6 residues pruned to eliminate duplicates Z: 11 8.918 1.998 0.609 0.379 0.900 0.400 CB 1.109 11 residues pruned to eliminate duplicates Z: 13 8.823 1.884 0.536 0.424 0.833 0.500 CB 1.143 13 residues pruned to eliminate duplicates Z: 13 7.592 1.876 0.552 0.407 0.750 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 15 6.659 1.849 0.449 0.385 0.786 0.429 CB 0.955 15 residues pruned to eliminate duplicates Z: 13 9.426 2.013 0.717 0.371 0.750 0.333 CB 1.205 13 residues pruned to eliminate duplicates Z: 14 8.611 1.874 0.364 0.403 0.923 0.538 CB 1.120 14 residues pruned to eliminate duplicates Z: 14 9.076 1.883 0.534 0.417 0.846 0.538 CB 1.124 14 residues pruned to eliminate duplicates Z: 23 10.456 1.932 0.588 0.375 0.773 0.500 CB 1.075 24 residues pruned to eliminate duplicates Z: 11 8.117 1.696 0.582 0.450 0.800 0.600 CB 1.259 10 residues pruned to eliminate duplicates Z: 6 6.014 1.690 0.579 0.642 0.800 0.800 CB 1.103 6 residues pruned to eliminate duplicates Z: 8 4.316 1.476 0.781 0.271 0.714 0.286 CB 1.126 8 residues pruned to eliminate duplicates Z: 14 10.692 1.791 0.836 0.424 0.846 0.385 CA 1.153 13 residues pruned to eliminate duplicates Z: 6 3.650 1.488 0.250 0.447 1.000 0.200 CA 0.927 6 residues pruned to eliminate duplicates Z: 11 12.450 1.932 0.689 0.552 0.900 0.600 CB 1.274 13 residues pruned to eliminate duplicates Z: 7 2.976 1.390 -0.018 0.644 0.833 0.500 CB 0.933 Z: 8 4.113 1.637 0.787 0.427 0.571 0.286 CA 1.003 15 residues pruned to eliminate duplicates Z: 74 43.207 2.185 0.597 0.531 0.918 0.616 CB 1.531 74 residues pruned to eliminate duplicates Z: 78 43.863 2.184 0.630 0.516 0.896 0.584 CB 1.542 92 residues pruned to eliminate duplicates Z: 80 48.115 2.176 0.635 0.542 0.937 0.595 CB 1.559 80 residues pruned to eliminate duplicates Z: 23 19.149 2.176 0.629 0.364 0.909 0.500 CB 1.466 23 residues pruned to eliminate duplicates Z: 40 32.724 2.184 0.537 0.507 0.974 0.641 CA 1.590 40 residues pruned to eliminate duplicates Z: 61 43.951 2.250 0.466 0.586 0.967 0.683 CB 1.639 61 residues pruned to eliminate duplicates Z: 61 49.305 2.273 0.680 0.578 0.933 0.667 CB 1.657 52 residues pruned to eliminate duplicates Z: 62 43.274 2.260 0.552 0.576 0.902 0.607 CB 1.628 62 residues pruned to eliminate duplicates Z: 61 47.613 2.285 0.641 0.598 0.917 0.683 CB 1.628 61 residues pruned to eliminate duplicates Z: 65 50.079 2.250 0.794 0.559 0.953 0.547 CB 1.537 65 residues pruned to eliminate duplicates Z: 68 48.557 2.204 0.747 0.578 0.925 0.522 CB 1.545 68 residues pruned to eliminate duplicates Z: 58 46.119 2.264 0.737 0.545 0.947 0.561 CB 1.569 58 residues pruned to eliminate duplicates Z: 55 46.399 2.278 0.629 0.600 0.944 0.630 CB 1.637 55 residues pruned to eliminate duplicates Z: 58 33.801 2.125 0.689 0.419 0.895 0.509 CB 1.517 32 residues pruned to eliminate duplicates Z: 63 46.678 2.248 0.702 0.557 0.919 0.645 CB 1.594 63 residues pruned to eliminate duplicates Z: 73 44.509 2.174 0.691 0.544 0.903 0.486 CB 1.513 73 residues pruned to eliminate duplicates Z: 70 43.395 2.222 0.569 0.523 0.942 0.609 CB 1.555 70 residues pruned to eliminate duplicates Z: 77 41.099 2.178 0.559 0.523 0.921 0.671 CB 1.474 77 residues pruned to eliminate duplicates Z: 73 44.364 2.206 0.616 0.526 0.931 0.583 CB 1.536 73 residues pruned to eliminate duplicates Z: 40 36.666 2.235 0.567 0.600 0.923 0.590 CB 1.651 40 residues pruned to eliminate duplicates Z: 56 43.004 2.252 0.543 0.580 0.927 0.582 CB 1.666 56 residues pruned to eliminate duplicates Z: 57 37.761 2.194 0.554 0.580 0.893 0.554 CB 1.534 57 residues pruned to eliminate duplicates Z: 46 43.942 2.211 0.676 0.615 0.978 0.600 CB 1.622 46 residues pruned to eliminate duplicates Z: 38 33.281 2.196 0.500 0.596 0.946 0.568 CB 1.601 38 residues pruned to eliminate duplicates Z: 62 44.978 2.254 0.630 0.556 0.918 0.639 CB 1.616 53 residues pruned to eliminate duplicates Z: 23 40.381 2.232 0.761 0.920 0.955 0.818 CB 1.616 23 residues pruned to eliminate duplicates Z: 69 44.647 2.234 0.603 0.533 0.941 0.588 CB 1.556 69 residues pruned to eliminate duplicates Z: 54 39.744 2.178 0.585 0.572 0.943 0.585 CB 1.564 54 residues pruned to eliminate duplicates Z: 46 38.120 2.184 0.641 0.561 0.956 0.667 CB 1.565 21 residues pruned to eliminate duplicates Z: 21 47.316 2.365 0.891 0.939 0.950 0.800 CB 1.730 21 residues pruned to eliminate duplicates Z: 57 38.425 2.200 0.522 0.559 0.911 0.625 CA 1.591 57 residues pruned to eliminate duplicates Z: 58 37.995 2.166 0.501 0.589 0.895 0.579 CB 1.589 58 residues pruned to eliminate duplicates Z: 26 30.390 2.190 0.616 0.701 0.960 0.520 CA 1.489 26 residues pruned to eliminate duplicates Z: 56 37.876 2.230 0.473 0.584 0.927 0.600 CB 1.546 56 residues pruned to eliminate duplicates Z: 61 42.892 2.257 0.695 0.566 0.900 0.567 CB 1.510 61 residues pruned to eliminate duplicates Z: 61 43.192 2.250 0.593 0.589 0.900 0.600 CB 1.587 61 residues pruned to eliminate duplicates Z: 49 41.895 2.181 0.681 0.570 0.958 0.500 CB 1.607 49 residues pruned to eliminate duplicates Z: 52 36.236 2.166 0.621 0.587 0.863 0.549 CB 1.540 52 residues pruned to eliminate duplicates Z: 51 34.519 2.148 0.689 0.533 0.880 0.540 CB 1.480 51 residues pruned to eliminate duplicates Z: 58 45.986 2.209 0.778 0.595 0.895 0.474 CB 1.583 58 residues pruned to eliminate duplicates Z: 75 45.771 2.191 0.693 0.520 0.905 0.486 CB 1.553 75 residues pruned to eliminate duplicates Z: 61 41.329 2.288 0.497 0.533 0.933 0.567 CB 1.617 45 residues pruned to eliminate duplicates Z: 25 46.406 2.202 0.955 0.824 1.000 0.458 CB 1.663 25 residues pruned to eliminate duplicates Z: 61 52.286 2.275 0.785 0.587 0.983 0.600 CB 1.555 43 residues pruned to eliminate duplicates Z: 10 9.770 2.235 0.068 0.618 0.778 0.667 CB 1.569 Z: 73 46.761 2.197 0.741 0.528 0.903 0.597 CB 1.553 73 residues pruned to eliminate duplicates Z: 62 46.951 2.271 0.620 0.579 0.967 0.541 CB 1.566 62 residues pruned to eliminate duplicates Z: 11 20.343 1.902 0.576 0.842 1.000 0.800 CA 1.599 11 residues pruned to eliminate duplicates Z: 10 14.631 2.128 0.070 0.839 1.000 0.778 CB 1.601 10 residues pruned to eliminate duplicates Z: 11 14.412 1.976 0.209 0.726 1.000 0.800 CB 1.556 11 residues pruned to eliminate duplicates Z: 63 47.876 2.245 0.649 0.542 0.984 0.581 CB 1.603 63 residues pruned to eliminate duplicates Z: 62 47.914 2.233 0.739 0.583 0.934 0.557 CB 1.561 62 residues pruned to eliminate duplicates Z: 18 17.354 2.178 0.421 0.514 0.882 0.471 CB 1.521 18 residues pruned to eliminate duplicates Z: 70 46.273 2.217 0.755 0.534 0.928 0.594 CB 1.493 70 residues pruned to eliminate duplicates Z: 73 46.743 2.220 0.699 0.538 0.903 0.542 CB 1.559 73 residues pruned to eliminate duplicates Z: 23 19.877 2.179 0.835 0.347 0.909 0.409 CB 1.377 23 residues pruned to eliminate duplicates Z: 47 41.353 2.245 0.718 0.537 0.935 0.522 CB 1.630 47 residues pruned to eliminate duplicates Z: 53 40.942 2.197 0.634 0.596 0.904 0.558 CB 1.596 53 residues pruned to eliminate duplicates Z: 30 24.271 2.244 0.519 0.484 0.897 0.552 CB 1.499 30 residues pruned to eliminate duplicates Z: 62 38.985 2.146 0.668 0.498 0.902 0.525 CB 1.549 33 residues pruned to eliminate duplicates Z: 9 11.288 1.805 0.318 0.813 0.875 0.500 CA 1.460 9 residues pruned to eliminate duplicates Z: 12 12.514 2.007 0.537 0.654 0.818 0.727 CB 1.295 10 residues pruned to eliminate duplicates Z: 7 13.274 1.980 0.358 0.786 1.000 0.833 CA 1.567 7 residues pruned to eliminate duplicates Z: 35 24.050 2.110 0.765 0.409 0.824 0.529 CB 1.479 47 residues pruned to eliminate duplicates Z: 8 7.730 1.938 0.966 0.340 0.714 0.571 CA 1.278 8 residues pruned to eliminate duplicates Z: 9 6.455 1.836 0.633 0.221 0.875 0.500 CA 1.207 8 residues pruned to eliminate duplicates Z: 8 4.443 1.776 0.262 0.236 0.857 0.429 CA 1.187 6 residues pruned to eliminate duplicates Z: 7 5.769 1.771 0.312 0.585 0.667 0.500 CB 1.401 7 residues pruned to eliminate duplicates Z: 29 8.781 1.738 0.341 0.236 0.821 0.357 CB 1.177 26 residues pruned to eliminate duplicates Z: 6 5.246 1.853 0.158 0.655 0.800 0.400 CA 1.183 6 residues pruned to eliminate duplicates Z: 24 14.107 1.950 0.442 0.328 0.913 0.478 CB 1.383 24 residues pruned to eliminate duplicates Z: 28 13.791 1.870 0.435 0.346 0.852 0.519 CB 1.373 28 residues pruned to eliminate duplicates Z: 19 13.039 1.946 0.536 0.363 0.833 0.500 CB 1.430 19 residues pruned to eliminate duplicates Z: 27 11.047 1.840 0.508 0.259 0.769 0.500 CB 1.337 29 residues pruned to eliminate duplicates Z: 6 3.455 1.534 0.431 0.435 1.000 0.800 CA 0.753 6 residues pruned to eliminate duplicates Z: 36 17.721 1.910 0.609 0.325 0.829 0.571 CB 1.425 39 residues pruned to eliminate duplicates Z: 6 3.301 1.350 0.415 0.336 1.000 0.600 N 0.925 6 residues pruned to eliminate duplicates Z: 24 17.006 1.970 0.667 0.342 0.913 0.609 CB 1.404 26 residues pruned to eliminate duplicates Z: 6 5.568 1.573 0.967 0.312 1.000 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 36 17.178 1.905 0.547 0.296 0.857 0.429 CB 1.444 36 residues pruned to eliminate duplicates Z: 23 15.431 1.989 0.627 0.315 0.864 0.455 CA 1.445 23 residues pruned to eliminate duplicates Z: 14 6.797 1.844 0.487 0.206 0.692 0.308 CB 1.406 12 residues pruned to eliminate duplicates Z: 6 6.045 1.624 0.423 0.422 1.000 0.600 CA 1.269 6 residues pruned to eliminate duplicates Z: 9 6.760 1.840 0.304 0.267 0.875 0.250 N 1.483 7 residues pruned to eliminate duplicates 6 1.613 1.322 0.659 0.353 0.800 0.200 CB 0.482 ? Z: 6 5.026 1.703 0.993 0.290 0.800 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 47 31.158 2.031 0.635 0.557 0.935 0.652 CA 1.401 47 residues pruned to eliminate duplicates Z: 25 28.720 2.171 0.397 0.722 0.958 0.833 CB 1.650 25 residues pruned to eliminate duplicates Z: 32 25.507 2.017 0.504 0.563 0.903 0.710 CB 1.573 32 residues pruned to eliminate duplicates Z: 29 20.793 2.062 0.378 0.533 0.893 0.607 CB 1.499 29 residues pruned to eliminate duplicates Z: 36 28.131 2.038 0.575 0.590 0.943 0.629 CA 1.441 36 residues pruned to eliminate duplicates Z: 25 34.920 2.145 0.683 0.754 1.000 0.708 CB 1.575 25 residues pruned to eliminate duplicates Z: 31 26.331 2.047 0.473 0.615 0.900 0.667 CA 1.588 31 residues pruned to eliminate duplicates Z: 28 31.353 2.083 0.703 0.678 0.926 0.741 CB 1.559 28 residues pruned to eliminate duplicates Z: 31 26.585 1.993 0.559 0.659 0.900 0.600 CA 1.497 31 residues pruned to eliminate duplicates Z: 29 29.536 2.113 0.452 0.678 0.964 0.750 CB 1.602 29 residues pruned to eliminate duplicates Z: 29 23.142 2.001 0.729 0.506 0.821 0.464 CB 1.529 29 residues pruned to eliminate duplicates Z: 34 22.122 1.972 0.651 0.473 0.848 0.424 CA 1.434 34 residues pruned to eliminate duplicates Z: 28 33.787 2.155 0.718 0.716 0.889 0.519 CB 1.625 28 residues pruned to eliminate duplicates Z: 27 35.908 2.172 0.759 0.681 0.923 0.577 CA 1.691 27 residues pruned to eliminate duplicates Z: 27 34.893 2.147 0.757 0.668 0.962 0.615 CB 1.616 27 residues pruned to eliminate duplicates Z: 22 32.056 2.208 0.896 0.768 0.905 0.524 CB 1.456 22 residues pruned to eliminate duplicates Z: 30 31.783 2.128 0.777 0.642 0.862 0.483 CB 1.586 30 residues pruned to eliminate duplicates Z: 12 14.008 1.849 0.926 0.564 0.818 0.364 CB 1.363 12 residues pruned to eliminate duplicates Z: 26 32.981 2.172 0.591 0.678 0.960 0.600 CB 1.688 26 residues pruned to eliminate duplicates Z: 58 30.167 1.982 0.597 0.533 0.842 0.421 CA 1.451 58 residues pruned to eliminate duplicates Z: 37 33.128 2.075 0.648 0.614 0.889 0.583 CA 1.630 37 residues pruned to eliminate duplicates Z: 36 35.108 2.026 0.752 0.607 0.943 0.457 CB 1.602 36 residues pruned to eliminate duplicates Z: 7 4.661 1.788 0.605 0.213 0.667 0.500 CA 1.394 7 residues pruned to eliminate duplicates Z: 46 41.315 2.023 0.809 0.699 0.911 0.622 CB 1.541 46 residues pruned to eliminate duplicates Z: 19 14.499 1.797 0.695 0.567 0.833 0.667 CB 1.262 19 residues pruned to eliminate duplicates Z: 45 37.424 2.040 0.778 0.706 0.886 0.545 CB 1.454 45 residues pruned to eliminate duplicates Z: 63 42.776 2.017 0.738 0.623 0.935 0.629 CB 1.475 49 residues pruned to eliminate duplicates Z: 10 13.238 1.930 0.146 0.905 1.000 1.000 CA 1.420 10 residues pruned to eliminate duplicates Z: 44 26.928 1.813 0.687 0.607 0.837 0.465 CB 1.449 44 residues pruned to eliminate duplicates Z: 43 39.154 2.059 0.746 0.712 0.929 0.619 CB 1.493 43 residues pruned to eliminate duplicates Z: 31 22.736 1.787 0.762 0.622 0.800 0.500 CB 1.469 31 residues pruned to eliminate duplicates Z: 50 37.940 2.047 0.755 0.614 0.898 0.551 CB 1.509 50 residues pruned to eliminate duplicates Z: 50 35.843 1.972 0.737 0.655 0.918 0.510 CB 1.409 50 residues pruned to eliminate duplicates Z: 63 42.803 2.014 0.894 0.632 0.871 0.597 CB 1.445 62 residues pruned to eliminate duplicates Z: 50 44.260 2.041 0.816 0.667 0.939 0.531 CB 1.556 50 residues pruned to eliminate duplicates Z: 18 20.947 1.924 0.740 0.635 1.000 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 24 12.873 1.739 0.648 0.462 0.783 0.522 CA 1.244 35 residues pruned to eliminate duplicates Z: 30 15.469 1.879 0.597 0.466 0.759 0.448 CA 1.306 21 residues pruned to eliminate duplicates Z: 9 11.310 1.725 0.249 0.814 1.000 0.375 CA 1.412 9 residues pruned to eliminate duplicates Z: 10 13.205 1.754 0.504 0.823 0.889 0.444 CA 1.419 10 residues pruned to eliminate duplicates Z: 15 12.160 1.738 0.501 0.622 0.786 0.500 CA 1.413 15 residues pruned to eliminate duplicates Z: 14 11.210 1.738 0.381 0.672 0.846 0.462 CA 1.306 14 residues pruned to eliminate duplicates Z: 7 5.825 1.546 0.298 0.666 1.000 0.667 CA 1.016 6 residues pruned to eliminate duplicates Z: 6 4.788 1.552 0.426 0.226 1.000 0.200 N 1.331 6 residues pruned to eliminate duplicates Z: 21 8.522 1.698 0.545 0.274 0.800 0.400 CB 1.174 21 residues pruned to eliminate duplicates Z: 17 9.046 1.819 0.494 0.363 0.812 0.438 CB 1.188 17 residues pruned to eliminate duplicates Z: 17 9.311 1.833 0.507 0.373 0.812 0.500 CB 1.188 17 residues pruned to eliminate duplicates Z: 15 13.928 1.951 0.637 0.479 1.000 0.571 CB 1.191 15 residues pruned to eliminate duplicates Z: 6 9.575 2.049 0.344 0.436 1.000 0.600 N 1.661 6 residues pruned to eliminate duplicates Z: 18 8.601 1.783 0.323 0.344 0.882 0.294 CB 1.188 18 residues pruned to eliminate duplicates Z: 16 10.257 1.830 0.520 0.415 0.867 0.533 CB 1.201 16 residues pruned to eliminate duplicates Z: 15 11.263 1.922 0.344 0.456 0.929 0.571 CB 1.313 15 residues pruned to eliminate duplicates 626 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 16 D: 19 E: 6 F: 7 G: 8 H: 45 I: 12 J: 11 K: 8 L: 74 M: 47 N: 51 O: 46 P: 6 Q: 20 R: 11 S: 61 T: 44 U: 62 V: 8 W: 47 CC for partial structure against native data = 23.63 % ------------------------------------------------------------------------------ Global autotracing cycle 14 = 0.300, Contrast = 0.394, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.708 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.742 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.747 for dens.mod. cycle 4 = 0.300, Contrast = 0.545, Connect. = 0.751 for dens.mod. cycle 5 = 0.300, Contrast = 0.550, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.555, Connect. = 0.757 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.759 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.762 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6654 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1254 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 20.091 2.130 0.903 0.266 0.818 0.500 CA 1.686 B: 8 18.604 2.095 0.481 0.886 1.000 0.571 CA 1.636 C: 12 26.653 2.126 0.860 0.752 1.000 0.636 CB 1.624 D: 9 17.822 2.002 0.711 0.790 1.000 0.625 CB 1.426 E: 49 36.671 2.109 0.780 0.531 0.917 0.646 CB 1.492 22 residues pruned to eliminate duplicates F: 23 37.825 2.208 0.593 0.899 1.000 0.818 CB 1.639 13 residues pruned to eliminate duplicates G: 10 16.052 1.892 0.658 0.709 1.000 0.889 CB 1.412 9 residues pruned to eliminate duplicates H: 15 15.828 2.045 0.885 0.493 0.857 0.714 CB 1.289 I: 9 17.354 1.951 0.683 0.784 1.000 0.750 CB 1.455 9 residues pruned to eliminate duplicates J: 21 37.926 2.291 0.559 0.919 1.000 0.800 CA 1.673 22 residues pruned to eliminate duplicates K: 22 34.820 2.169 0.574 0.905 1.000 0.857 CA 1.584 22 residues pruned to eliminate duplicates L: 24 17.207 2.117 0.938 0.239 0.783 0.522 CB 1.512 25 residues pruned to eliminate duplicates M: 18 18.293 2.035 0.234 0.866 0.941 0.824 CB 1.375 18 residues pruned to eliminate duplicates N: 18 22.427 2.041 0.724 0.907 0.941 0.765 CB 1.167 18 residues pruned to eliminate duplicates O: 19 17.097 2.038 0.215 0.913 0.944 0.889 CB 1.219 19 residues pruned to eliminate duplicates P: 30 16.899 1.959 0.533 0.497 0.897 0.586 CA 1.169 Q: 22 46.134 2.251 0.888 0.874 1.000 0.476 CB 1.724 22 residues pruned to eliminate duplicates R: 21 38.018 2.272 0.548 0.926 1.000 0.850 CA 1.695 21 residues pruned to eliminate duplicates S: 16 21.851 2.098 0.489 0.896 0.933 0.867 CA 1.385 T: 21 35.673 2.262 0.449 0.868 1.000 0.750 CA 1.779 21 residues pruned to eliminate duplicates U: 12 25.856 2.035 0.873 0.763 1.000 0.818 CA 1.619 12 residues pruned to eliminate duplicates V: 16 22.888 2.139 0.730 0.911 1.000 0.867 CB 1.132 16 residues pruned to eliminate duplicates W: 22 15.556 2.007 0.529 0.460 0.905 0.524 CA 1.273 22 residues pruned to eliminate duplicates X: 22 25.785 1.944 0.479 0.862 1.000 0.714 CB 1.438 Y: 9 8.340 1.703 0.401 0.744 0.875 0.375 CA 1.136 Z: 10 11.913 1.727 0.314 0.713 1.000 0.333 N 1.443 10 residues pruned to eliminate duplicates Z: 13 14.064 1.943 0.489 0.831 0.833 0.667 CA 1.265 9 residues pruned to eliminate duplicates Z: 13 14.259 1.898 0.435 0.551 1.000 0.750 CA 1.438 Z: 9 15.695 1.947 0.617 0.809 1.000 0.625 CA 1.346 Z: 23 32.264 2.060 0.730 0.831 0.909 0.682 CB 1.594 22 residues pruned to eliminate duplicates Z: 12 10.858 2.053 0.844 0.358 0.818 0.636 CB 1.232 11 residues pruned to eliminate duplicates Z: 20 27.435 2.079 0.525 0.893 0.947 0.737 CA 1.505 16 residues pruned to eliminate duplicates Z: 22 24.733 1.925 0.432 0.841 0.905 0.714 CA 1.613 22 residues pruned to eliminate duplicates Z: 14 8.472 2.116 0.055 0.392 0.769 0.692 CB 1.534 Z: 66 38.067 2.070 0.654 0.579 0.923 0.554 CA 1.385 37 residues pruned to eliminate duplicates Z: 21 23.737 1.987 0.363 0.825 0.900 0.650 CB 1.643 21 residues pruned to eliminate duplicates Z: 23 30.796 2.146 0.516 0.761 1.000 0.864 CA 1.600 17 residues pruned to eliminate duplicates Z: 19 28.488 2.083 0.628 0.878 1.000 0.611 CA 1.437 19 residues pruned to eliminate duplicates Z: 12 14.379 2.135 0.414 0.448 0.909 0.455 CA 1.665 14 residues pruned to eliminate duplicates Z: 21 50.135 2.345 1.095 0.921 0.950 0.700 CB 1.691 22 residues pruned to eliminate duplicates Z: 11 14.214 1.844 0.795 0.596 0.800 0.700 CB 1.548 Z: 22 38.124 2.228 0.646 0.882 0.952 0.619 CA 1.724 22 residues pruned to eliminate duplicates Z: 18 23.136 2.178 0.828 0.551 0.882 0.706 CB 1.521 18 residues pruned to eliminate duplicates Z: 17 11.729 1.983 0.579 0.432 0.812 0.438 CB 1.237 18 residues pruned to eliminate duplicates Z: 11 20.911 2.143 0.674 0.810 0.900 0.600 CB 1.563 11 residues pruned to eliminate duplicates Z: 19 28.526 2.066 0.701 0.854 0.889 0.556 CB 1.591 19 residues pruned to eliminate duplicates Z: 16 23.321 2.081 0.427 0.921 1.000 0.800 CA 1.427 16 residues pruned to eliminate duplicates Z: 15 7.641 2.032 0.129 0.354 0.714 0.500 CB 1.459 15 residues pruned to eliminate duplicates Z: 18 27.955 2.111 0.504 0.909 1.000 0.882 CA 1.516 18 residues pruned to eliminate duplicates Z: 22 25.883 1.969 0.479 0.897 0.952 0.714 CA 1.458 22 residues pruned to eliminate duplicates Z: 34 23.618 1.967 0.492 0.627 0.879 0.697 CA 1.415 34 residues pruned to eliminate duplicates Z: 19 10.996 1.807 0.528 0.539 0.667 0.500 N 1.355 12 residues pruned to eliminate duplicates Z: 19 9.174 1.827 0.576 0.381 0.778 0.556 CB 1.096 Z: 15 27.108 2.189 0.890 0.900 1.000 0.714 CB 1.251 15 residues pruned to eliminate duplicates Z: 23 12.530 1.879 0.429 0.397 0.864 0.455 CB 1.285 19 residues pruned to eliminate duplicates Z: 19 27.407 1.972 0.710 0.896 0.944 0.611 CB 1.453 19 residues pruned to eliminate duplicates Z: 18 14.890 2.194 0.718 0.303 0.765 0.471 CB 1.559 18 residues pruned to eliminate duplicates Z: 12 12.099 2.108 0.177 0.477 0.909 0.636 CB 1.655 12 residues pruned to eliminate duplicates Z: 37 17.943 1.935 0.592 0.335 0.806 0.556 CA 1.444 Z: 23 41.693 2.169 0.813 0.913 1.000 0.773 CB 1.599 23 residues pruned to eliminate duplicates Z: 12 11.854 1.938 0.263 0.506 0.909 0.455 N 1.598 Z: 18 17.903 2.008 0.450 0.885 1.000 0.706 CB 1.076 18 residues pruned to eliminate duplicates Z: 9 12.950 1.980 0.447 0.770 1.000 0.500 CA 1.258 10 residues pruned to eliminate duplicates Z: 25 16.777 2.104 0.428 0.458 0.833 0.542 CA 1.428 25 residues pruned to eliminate duplicates Z: 12 13.965 2.001 0.458 0.537 0.909 0.545 CA 1.532 13 residues pruned to eliminate duplicates Z: 11 10.783 1.730 0.588 0.626 0.900 0.700 CB 1.224 11 residues pruned to eliminate duplicates Z: 12 10.354 1.790 0.563 0.490 0.818 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 12 4.652 1.516 0.776 0.302 0.636 0.182 CB 1.021 Z: 35 31.237 2.112 0.773 0.493 0.912 0.441 CA 1.580 35 residues pruned to eliminate duplicates Z: 18 11.493 1.915 0.804 0.314 0.765 0.529 CA 1.296 Z: 21 40.982 2.317 0.765 0.940 0.950 0.750 CB 1.638 21 residues pruned to eliminate duplicates Z: 15 9.208 1.823 0.272 0.489 0.786 0.500 CA 1.367 15 residues pruned to eliminate duplicates Z: 18 9.308 1.906 0.305 0.324 0.824 0.529 CA 1.338 Z: 20 13.389 1.888 0.461 0.354 0.947 0.474 CB 1.377 Z: 14 14.100 1.910 0.676 0.446 0.923 0.462 CB 1.399 12 residues pruned to eliminate duplicates Z: 8 18.516 2.158 0.544 0.792 1.000 0.714 CA 1.625 8 residues pruned to eliminate duplicates Z: 34 22.735 1.956 0.531 0.536 0.879 0.697 CB 1.451 29 residues pruned to eliminate duplicates Z: 39 33.573 2.032 0.634 0.682 0.921 0.605 CB 1.506 33 residues pruned to eliminate duplicates Z: 19 11.263 1.824 0.456 0.453 0.833 0.444 CA 1.259 12 residues pruned to eliminate duplicates Z: 21 17.850 2.058 0.683 0.542 0.900 0.600 CB 1.228 21 residues pruned to eliminate duplicates Z: 21 49.199 2.270 1.169 0.935 0.950 0.450 CB 1.639 21 residues pruned to eliminate duplicates Z: 6 4.153 1.657 0.117 0.680 0.800 0.800 CB 1.062 Z: 20 13.730 1.937 0.470 0.411 1.000 0.579 CA 1.213 18 residues pruned to eliminate duplicates Z: 21 28.250 2.096 0.599 0.918 0.950 0.850 CA 1.399 21 residues pruned to eliminate duplicates Z: 20 22.714 2.246 0.905 0.378 0.895 0.684 CB 1.550 20 residues pruned to eliminate duplicates Z: 26 8.671 1.818 0.325 0.302 0.840 0.560 CB 1.069 26 residues pruned to eliminate duplicates Z: 11 20.040 1.899 0.674 0.883 1.000 0.800 CB 1.442 Z: 11 24.272 1.845 0.946 0.903 1.000 0.700 CB 1.524 6 residues pruned to eliminate duplicates Z: 11 18.533 1.891 0.858 0.898 1.000 0.400 CB 1.194 11 residues pruned to eliminate duplicates Z: 10 22.316 1.977 0.707 0.911 1.000 0.556 CA 1.562 10 residues pruned to eliminate duplicates Z: 19 21.463 1.964 0.244 0.876 0.944 0.833 CB 1.593 19 residues pruned to eliminate duplicates Z: 18 7.746 1.983 0.260 0.289 0.882 0.471 CB 1.081 18 residues pruned to eliminate duplicates Z: 14 11.224 1.902 0.427 0.390 1.000 0.462 CB 1.289 14 residues pruned to eliminate duplicates Z: 9 5.439 1.758 0.286 0.484 0.750 0.625 CB 1.152 Z: 8 5.818 1.569 0.191 0.493 1.000 0.571 N 1.185 Z: 22 43.554 2.212 0.942 0.925 1.000 0.571 CB 1.553 22 residues pruned to eliminate duplicates Z: 17 5.845 1.985 0.139 0.239 0.875 0.312 CB 0.999 Z: 44 30.184 2.116 0.739 0.450 0.884 0.674 CB 1.491 29 residues pruned to eliminate duplicates Z: 10 11.108 1.845 0.252 0.699 1.000 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 21 45.972 2.250 0.874 0.915 0.950 0.550 CB 1.814 21 residues pruned to eliminate duplicates Z: 20 32.127 2.078 0.714 0.896 1.000 0.684 CA 1.482 20 residues pruned to eliminate duplicates Z: 23 20.846 2.153 0.459 0.454 0.909 0.636 CA 1.631 20 residues pruned to eliminate duplicates Z: 20 39.458 2.359 0.598 0.912 0.947 0.737 CA 1.796 20 residues pruned to eliminate duplicates Z: 20 28.101 2.036 0.685 0.861 1.000 0.421 CB 1.381 20 residues pruned to eliminate duplicates Z: 21 27.729 1.980 0.498 0.912 0.950 0.650 CB 1.559 21 residues pruned to eliminate duplicates Z: 6 9.923 1.683 0.666 0.826 1.000 0.600 N 1.194 6 residues pruned to eliminate duplicates Z: 7 9.162 2.038 0.665 0.330 0.833 0.333 CB 1.593 Z: 19 11.803 1.800 0.656 0.428 0.833 0.444 CB 1.207 19 residues pruned to eliminate duplicates Z: 22 38.820 2.246 0.659 0.905 1.000 0.619 CB 1.619 22 residues pruned to eliminate duplicates Z: 11 9.712 1.841 0.481 0.585 0.800 0.500 CA 1.298 Z: 9 7.697 1.752 0.230 0.798 0.750 0.500 CA 1.297 Z: 48 34.179 2.183 0.604 0.477 0.915 0.638 CB 1.594 46 residues pruned to eliminate duplicates Z: 9 11.415 2.128 0.369 0.805 0.750 0.625 CB 1.415 9 residues pruned to eliminate duplicates Z: 16 10.466 2.005 0.410 0.448 0.867 0.467 CB 1.164 Z: 28 20.739 2.075 0.643 0.483 0.889 0.556 CB 1.341 30 residues pruned to eliminate duplicates Z: 21 11.401 1.786 0.381 0.404 0.850 0.400 CB 1.344 21 residues pruned to eliminate duplicates Z: 17 18.325 2.007 0.356 0.893 0.875 0.625 CB 1.381 17 residues pruned to eliminate duplicates Z: 21 51.254 2.303 1.095 0.926 0.950 0.650 CB 1.753 21 residues pruned to eliminate duplicates Z: 11 9.482 1.840 0.350 0.565 0.900 0.700 CB 1.260 Z: 6 8.257 1.726 0.478 0.679 1.000 1.000 CA 1.228 Z: 8 10.651 1.650 0.794 0.749 1.000 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 22 40.292 2.212 0.642 0.918 1.000 1.000 CB 1.707 22 residues pruned to eliminate duplicates Z: 12 6.183 1.819 0.247 0.263 0.818 0.364 CA 1.316 12 residues pruned to eliminate duplicates Z: 32 28.664 2.025 0.562 0.642 0.968 0.774 CB 1.472 32 residues pruned to eliminate duplicates Z: 70 38.720 2.088 0.585 0.602 0.942 0.551 CA 1.357 70 residues pruned to eliminate duplicates Z: 17 8.797 1.875 0.292 0.454 0.812 0.438 CB 1.170 17 residues pruned to eliminate duplicates Z: 12 7.323 1.855 0.653 0.364 0.818 0.545 CB 1.018 Z: 12 4.955 1.541 0.570 0.236 0.818 0.727 CB 1.025 Z: 9 15.069 1.988 0.392 0.899 1.000 0.875 CA 1.376 9 residues pruned to eliminate duplicates Z: 21 36.201 1.964 0.924 0.912 1.000 0.600 CB 1.517 21 residues pruned to eliminate duplicates Z: 22 30.703 1.983 0.684 0.902 1.000 0.810 CA 1.431 22 residues pruned to eliminate duplicates Z: 11 8.343 1.837 0.235 0.579 0.900 0.700 CB 1.198 Z: 22 23.553 1.886 0.375 0.882 0.952 0.714 CB 1.506 22 residues pruned to eliminate duplicates Z: 25 18.451 2.073 0.726 0.481 0.833 0.583 CA 1.288 25 residues pruned to eliminate duplicates Z: 58 43.148 2.229 0.574 0.621 0.930 0.649 CB 1.563 48 residues pruned to eliminate duplicates Z: 10 8.266 2.026 0.532 0.330 0.778 0.444 CB 1.375 10 residues pruned to eliminate duplicates Z: 13 17.217 1.849 0.390 0.921 1.000 0.833 CA 1.361 13 residues pruned to eliminate duplicates Z: 21 7.882 1.767 0.395 0.219 0.800 0.250 CB 1.244 22 residues pruned to eliminate duplicates Z: 8 7.732 1.668 0.771 0.235 1.000 0.571 CB 1.346 8 residues pruned to eliminate duplicates Z: 18 24.705 1.953 0.670 0.918 0.882 0.706 CB 1.468 18 residues pruned to eliminate duplicates Z: 17 13.290 2.030 0.744 0.319 0.938 0.500 CB 1.222 17 residues pruned to eliminate duplicates Z: 22 10.915 1.835 0.370 0.368 0.952 0.381 CB 1.146 Z: 6 6.582 1.952 0.630 0.297 0.800 0.400 N 1.451 6 residues pruned to eliminate duplicates Z: 71 42.096 2.152 0.649 0.534 0.943 0.557 CB 1.454 71 residues pruned to eliminate duplicates Z: 14 10.142 1.873 0.682 0.462 0.846 0.462 CB 1.097 14 residues pruned to eliminate duplicates Z: 9 10.483 1.824 0.632 0.489 0.875 0.500 CB 1.438 9 residues pruned to eliminate duplicates Z: 12 13.541 2.006 0.557 0.488 0.909 0.818 CA 1.456 12 residues pruned to eliminate duplicates Z: 12 9.059 1.776 0.659 0.330 0.818 0.545 CA 1.364 12 residues pruned to eliminate duplicates Z: 22 44.893 2.196 1.081 0.868 0.952 0.667 CB 1.645 22 residues pruned to eliminate duplicates Z: 19 11.656 1.994 0.396 0.333 0.889 0.556 CB 1.332 19 residues pruned to eliminate duplicates Z: 21 31.110 1.961 0.680 0.908 0.950 0.750 CB 1.579 21 residues pruned to eliminate duplicates Z: 17 10.776 1.882 0.546 0.337 0.812 0.625 CA 1.362 17 residues pruned to eliminate duplicates Z: 15 13.641 1.977 0.638 0.472 0.929 0.571 CB 1.248 Z: 11 7.199 1.778 0.423 0.519 0.800 0.600 CB 1.104 Z: 12 19.454 1.797 0.864 0.860 1.000 0.273 CA 1.287 11 residues pruned to eliminate duplicates Z: 10 11.359 1.775 0.292 0.813 0.889 0.778 CA 1.415 9 residues pruned to eliminate duplicates Z: 16 21.310 2.201 0.707 0.610 0.933 0.600 CB 1.413 16 residues pruned to eliminate duplicates Z: 46 40.486 2.196 0.609 0.653 0.911 0.667 CB 1.626 46 residues pruned to eliminate duplicates Z: 10 12.013 1.804 0.569 0.651 0.889 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 20 12.864 2.027 0.383 0.475 0.737 0.526 CB 1.465 16 residues pruned to eliminate duplicates Z: 19 24.849 2.100 0.568 0.900 0.889 0.778 CA 1.429 19 residues pruned to eliminate duplicates Z: 45 21.976 2.030 0.461 0.406 0.955 0.500 CA 1.291 45 residues pruned to eliminate duplicates Z: 7 3.539 1.744 -0.178 0.655 0.833 0.667 N 1.047 6 residues pruned to eliminate duplicates Z: 29 20.346 1.985 0.493 0.517 0.964 0.643 CB 1.323 29 residues pruned to eliminate duplicates Z: 6 8.651 2.038 0.370 0.559 0.800 0.600 CB 1.635 6 residues pruned to eliminate duplicates Z: 11 13.728 1.893 0.501 0.747 1.000 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 21 25.317 1.944 0.907 0.890 0.850 0.200 CB 1.292 21 residues pruned to eliminate duplicates Z: 9 14.638 1.935 0.627 0.878 1.000 1.000 CA 1.192 9 residues pruned to eliminate duplicates Z: 22 44.598 2.197 0.985 0.894 1.000 0.238 CB 1.601 22 residues pruned to eliminate duplicates Z: 63 37.239 2.214 0.496 0.547 0.903 0.613 CB 1.510 63 residues pruned to eliminate duplicates Z: 18 22.809 1.967 0.625 0.877 1.000 0.765 CB 1.257 18 residues pruned to eliminate duplicates Z: 9 13.549 1.822 0.508 0.721 0.875 0.875 CA 1.632 9 residues pruned to eliminate duplicates Z: 26 22.683 2.122 0.576 0.496 0.840 0.440 CA 1.620 26 residues pruned to eliminate duplicates Z: 21 24.524 1.983 0.276 0.936 0.950 0.900 CB 1.588 21 residues pruned to eliminate duplicates Z: 10 9.050 1.893 -0.161 0.870 1.000 1.000 CA 1.388 10 residues pruned to eliminate duplicates Z: 9 17.896 2.004 0.609 0.866 1.000 0.625 CB 1.436 10 residues pruned to eliminate duplicates Z: 9 2.634 1.584 0.242 0.277 0.750 0.500 CB 0.812 7 residues pruned to eliminate duplicates Z: 21 25.395 2.004 0.745 0.909 0.850 0.650 CA 1.356 21 residues pruned to eliminate duplicates Z: 9 5.077 1.654 -0.086 0.575 1.000 0.625 N 1.104 Z: 9 15.899 2.060 0.481 0.867 0.875 0.875 CB 1.541 9 residues pruned to eliminate duplicates Z: 10 10.707 1.780 0.563 0.627 0.778 0.778 CA 1.464 10 residues pruned to eliminate duplicates Z: 58 29.361 2.029 0.417 0.540 0.895 0.614 CB 1.454 58 residues pruned to eliminate duplicates Z: 7 6.631 1.653 0.217 0.531 1.000 0.500 CB 1.305 Z: 8 10.288 1.872 1.274 0.516 0.857 0.571 CA 1.049 8 residues pruned to eliminate duplicates Z: 21 22.826 1.955 0.611 0.916 0.950 0.800 CB 1.205 21 residues pruned to eliminate duplicates Z: 10 13.328 1.754 0.530 0.840 0.889 0.444 CA 1.390 10 residues pruned to eliminate duplicates Z: 21 21.955 2.251 0.557 0.480 0.950 0.500 CB 1.505 21 residues pruned to eliminate duplicates Z: 19 11.320 1.883 0.287 0.352 0.944 0.611 CB 1.368 19 residues pruned to eliminate duplicates Z: 14 8.948 2.031 0.251 0.397 0.846 0.538 CB 1.287 14 residues pruned to eliminate duplicates Z: 9 11.667 1.975 0.525 0.852 0.750 0.250 CB 1.351 9 residues pruned to eliminate duplicates Z: 8 5.160 1.913 0.020 0.541 0.857 0.571 CB 1.121 8 residues pruned to eliminate duplicates Z: 17 11.434 1.855 0.262 0.352 1.000 0.500 CB 1.434 17 residues pruned to eliminate duplicates Z: 13 5.225 1.963 0.307 0.344 0.667 0.417 CB 1.045 12 residues pruned to eliminate duplicates Z: 14 11.108 1.793 0.515 0.423 0.923 0.462 CA 1.330 14 residues pruned to eliminate duplicates Z: 75 39.933 2.059 0.648 0.579 0.865 0.514 CA 1.466 76 residues pruned to eliminate duplicates Z: 11 7.451 1.699 0.179 0.564 1.000 0.500 CB 1.106 12 residues pruned to eliminate duplicates Z: 36 30.502 2.051 0.690 0.594 0.971 0.714 CA 1.399 34 residues pruned to eliminate duplicates Z: 49 23.721 1.968 0.584 0.456 0.875 0.542 CB 1.314 48 residues pruned to eliminate duplicates Z: 47 21.488 2.000 0.558 0.389 0.913 0.543 CA 1.253 47 residues pruned to eliminate duplicates Z: 13 15.374 1.944 0.570 0.868 0.917 0.833 CA 1.159 13 residues pruned to eliminate duplicates Z: 8 6.606 1.843 0.105 0.546 1.000 1.000 CB 1.172 7 residues pruned to eliminate duplicates Z: 6 4.389 1.649 0.322 0.469 0.800 0.600 N 1.162 Z: 6 4.284 1.606 0.288 0.595 0.800 0.600 CB 1.057 Z: 6 3.547 1.693 0.270 0.622 0.600 0.200 CB 1.097 Z: 25 19.125 2.044 0.516 0.461 0.875 0.417 CA 1.498 25 residues pruned to eliminate duplicates Z: 22 40.051 2.219 0.632 0.894 1.000 0.571 CA 1.732 22 residues pruned to eliminate duplicates Z: 9 10.676 1.732 0.681 0.803 0.875 0.625 CB 1.137 Z: 20 28.924 2.054 0.611 0.890 0.895 0.316 CB 1.613 20 residues pruned to eliminate duplicates Z: 31 19.872 2.126 0.544 0.417 0.867 0.433 CB 1.390 40 residues pruned to eliminate duplicates Z: 11 12.816 1.845 0.696 0.567 0.800 0.600 N 1.518 11 residues pruned to eliminate duplicates Z: 9 9.197 1.825 0.549 0.732 0.875 0.875 CB 1.067 9 residues pruned to eliminate duplicates Z: 14 18.666 1.785 0.715 0.911 1.000 0.538 CA 1.198 13 residues pruned to eliminate duplicates Z: 6 7.125 2.034 0.137 0.665 0.800 0.800 CA 1.479 6 residues pruned to eliminate duplicates Z: 11 16.253 1.975 0.681 0.863 0.800 0.800 CA 1.420 11 residues pruned to eliminate duplicates Z: 9 8.912 1.726 0.125 0.870 1.000 0.250 CA 1.184 9 residues pruned to eliminate duplicates Z: 10 7.293 1.415 0.372 0.820 1.000 0.556 CA 0.949 Z: 20 11.277 1.808 0.333 0.319 1.000 0.579 CA 1.310 20 residues pruned to eliminate duplicates Z: 7 4.423 1.846 0.617 0.451 0.667 0.333 CB 0.954 Z: 45 38.357 2.205 0.558 0.634 0.955 0.477 CB 1.554 45 residues pruned to eliminate duplicates Z: 15 14.044 1.866 1.147 0.427 0.857 0.643 CA 1.179 15 residues pruned to eliminate duplicates Z: 46 34.319 2.201 0.649 0.482 0.867 0.622 CB 1.658 42 residues pruned to eliminate duplicates Z: 11 3.111 1.584 0.162 0.421 0.700 0.500 CB 0.828 Z: 6 2.831 1.257 0.584 0.217 1.000 0.400 CA 0.887 Z: 17 27.675 2.031 0.578 0.930 1.000 0.750 CB 1.510 17 residues pruned to eliminate duplicates Z: 12 5.383 1.895 0.026 0.294 0.727 0.364 CB 1.445 12 residues pruned to eliminate duplicates Z: 19 28.200 2.081 0.827 0.927 0.833 0.556 CB 1.469 19 residues pruned to eliminate duplicates Z: 20 16.562 2.048 0.630 0.493 0.842 0.421 CB 1.360 20 residues pruned to eliminate duplicates Z: 7 8.184 1.681 0.254 0.864 0.833 0.833 O 1.395 8 residues pruned to eliminate duplicates 7 1.497 1.461 0.170 0.306 0.667 0.500 CB 0.666 ? Z: 7 7.388 1.482 0.395 0.796 1.000 0.833 O 1.126 9 residues pruned to eliminate duplicates Z: 28 25.918 1.945 0.606 0.673 0.963 0.667 CB 1.413 29 residues pruned to eliminate duplicates Z: 7 3.396 1.196 0.406 0.487 0.833 0.833 O 1.002 Z: 20 26.934 2.031 0.494 0.900 1.000 0.684 CA 1.454 20 residues pruned to eliminate duplicates Z: 10 15.817 1.860 0.502 0.879 1.000 1.000 CB 1.368 10 residues pruned to eliminate duplicates Z: 6 2.992 1.744 0.408 0.658 0.800 0.800 CB 0.588 6 residues pruned to eliminate duplicates Z: 12 7.840 1.624 0.315 0.636 1.000 0.636 CB 0.974 9 residues pruned to eliminate duplicates Z: 6 3.057 1.529 0.260 0.485 0.600 0.600 O 1.201 Z: 31 19.474 2.076 0.458 0.456 0.867 0.633 CA 1.418 31 residues pruned to eliminate duplicates Z: 15 7.194 1.800 0.360 0.346 0.857 0.357 CB 1.083 14 residues pruned to eliminate duplicates Z: 15 8.438 2.044 0.171 0.382 0.857 0.429 CB 1.246 15 residues pruned to eliminate duplicates Z: 41 19.544 2.048 0.743 0.275 0.800 0.600 CB 1.397 41 residues pruned to eliminate duplicates Z: 16 10.064 1.985 0.361 0.373 0.933 0.467 CB 1.180 16 residues pruned to eliminate duplicates Z: 14 21.994 2.229 0.343 0.879 1.000 0.769 CB 1.477 14 residues pruned to eliminate duplicates Z: 21 8.040 1.863 0.384 0.277 0.700 0.300 CB 1.283 21 residues pruned to eliminate duplicates Z: 23 14.614 1.875 0.452 0.514 0.818 0.636 CB 1.380 35 residues pruned to eliminate duplicates Z: 21 16.585 1.889 0.756 0.417 1.000 0.600 CA 1.219 21 residues pruned to eliminate duplicates Z: 22 41.512 2.209 0.769 0.925 1.000 0.762 CB 1.626 22 residues pruned to eliminate duplicates Z: 8 8.233 1.419 0.326 0.834 1.000 0.857 CA 1.240 7 residues pruned to eliminate duplicates Z: 16 8.295 1.854 0.662 0.396 0.667 0.533 CA 1.164 17 residues pruned to eliminate duplicates Z: 8 2.816 1.384 0.809 0.408 0.571 0.429 CB 0.819 Z: 66 38.557 2.086 0.633 0.567 0.954 0.677 CA 1.380 66 residues pruned to eliminate duplicates Z: 18 24.201 1.970 0.625 0.893 0.941 0.471 CB 1.399 18 residues pruned to eliminate duplicates Z: 27 12.078 1.865 0.508 0.322 0.808 0.538 CB 1.269 29 residues pruned to eliminate duplicates Z: 13 10.586 1.971 0.264 0.399 0.917 0.667 CB 1.489 20 residues pruned to eliminate duplicates Z: 50 23.358 1.982 0.485 0.432 0.898 0.490 CA 1.355 48 residues pruned to eliminate duplicates Z: 20 32.723 2.105 0.720 0.917 1.000 0.632 CA 1.464 20 residues pruned to eliminate duplicates Z: 29 20.205 2.011 0.471 0.530 0.964 0.607 CB 1.299 29 residues pruned to eliminate duplicates Z: 8 2.056 1.533 0.163 0.230 0.571 0.286 CA 1.045 8 residues pruned to eliminate duplicates Z: 21 35.674 2.266 0.578 0.921 0.900 0.650 CB 1.744 21 residues pruned to eliminate duplicates Z: 6 2.691 1.717 -0.278 0.526 1.000 0.800 CB 0.946 Z: 27 15.439 1.923 0.375 0.337 0.923 0.538 CA 1.482 25 residues pruned to eliminate duplicates Z: 8 6.496 1.900 0.198 0.326 0.857 0.714 CB 1.522 8 residues pruned to eliminate duplicates Z: 13 6.689 1.701 0.727 0.412 0.833 0.333 CB 0.865 Z: 20 18.509 2.030 0.357 0.849 0.947 0.842 CB 1.206 20 residues pruned to eliminate duplicates Z: 21 35.570 2.164 0.799 0.842 0.950 0.650 CB 1.603 21 residues pruned to eliminate duplicates Z: 9 6.143 1.523 0.181 0.844 1.000 0.750 CB 0.899 8 residues pruned to eliminate duplicates Z: 32 15.243 1.888 0.445 0.317 0.871 0.613 CB 1.410 33 residues pruned to eliminate duplicates Z: 7 6.093 1.801 0.301 0.545 0.833 0.333 CB 1.219 Z: 6 2.947 1.622 0.402 0.348 0.600 0.400 N 1.139 6 residues pruned to eliminate duplicates Z: 21 15.386 1.975 0.414 0.482 0.950 0.400 CA 1.321 21 residues pruned to eliminate duplicates Z: 19 11.473 1.801 0.377 0.416 0.944 0.444 CA 1.260 19 residues pruned to eliminate duplicates Z: 21 23.833 2.025 0.226 0.920 0.950 0.800 CB 1.592 21 residues pruned to eliminate duplicates Z: 6 7.789 1.711 0.751 0.495 0.800 0.600 CA 1.461 6 residues pruned to eliminate duplicates Z: 6 4.620 1.458 0.255 0.826 1.000 0.800 CA 0.851 6 residues pruned to eliminate duplicates Z: 12 2.524 1.584 0.171 0.200 0.545 0.455 CA 1.075 12 residues pruned to eliminate duplicates Z: 64 41.095 2.069 0.758 0.587 0.905 0.635 CA 1.447 65 residues pruned to eliminate duplicates Z: 8 4.839 1.885 0.776 0.313 0.714 0.571 N 0.940 Z: 9 5.378 1.788 0.089 0.466 0.875 0.875 CB 1.156 9 residues pruned to eliminate duplicates Z: 23 31.308 2.117 0.578 0.900 0.955 0.818 CB 1.495 23 residues pruned to eliminate duplicates Z: 7 7.175 1.749 0.048 0.853 0.833 0.667 O 1.418 7 residues pruned to eliminate duplicates Z: 32 13.917 1.984 0.542 0.403 0.742 0.484 CB 1.220 32 residues pruned to eliminate duplicates Z: 17 6.750 1.954 0.430 0.174 0.688 0.312 CB 1.303 18 residues pruned to eliminate duplicates Z: 6 4.550 1.842 0.065 0.153 1.000 0.200 N 1.588 6 residues pruned to eliminate duplicates Z: 10 8.947 1.645 0.531 0.811 0.889 0.778 CB 1.017 Z: 27 23.235 2.094 0.677 0.513 0.962 0.577 CB 1.332 28 residues pruned to eliminate duplicates Z: 29 11.654 1.762 0.374 0.343 0.893 0.429 CB 1.209 30 residues pruned to eliminate duplicates Z: 18 11.743 1.921 0.385 0.362 0.882 0.412 CB 1.407 18 residues pruned to eliminate duplicates Z: 31 16.795 1.968 0.863 0.375 0.867 0.500 CB 1.102 31 residues pruned to eliminate duplicates Z: 6 2.740 1.379 0.217 0.480 0.800 0.400 CB 0.931 Z: 12 5.175 1.940 0.152 0.313 0.545 0.455 CB 1.575 12 residues pruned to eliminate duplicates Z: 14 10.646 1.781 0.551 0.509 0.923 0.692 CA 1.147 Z: 14 9.324 1.767 0.451 0.508 0.846 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 24 19.816 1.996 0.652 0.581 0.957 0.696 CB 1.212 24 residues pruned to eliminate duplicates Z: 12 6.334 1.863 0.452 0.417 0.818 0.636 CB 0.941 12 residues pruned to eliminate duplicates Z: 36 30.237 2.000 0.724 0.511 1.000 0.600 CA 1.466 37 residues pruned to eliminate duplicates Z: 6 5.910 1.623 0.332 0.753 1.000 1.000 CB 0.976 Z: 9 11.258 1.980 0.305 0.572 1.000 0.500 N 1.437 10 residues pruned to eliminate duplicates Z: 9 4.569 1.614 0.175 0.325 0.875 0.625 CB 1.181 Z: 19 13.155 1.937 0.392 0.468 0.778 0.611 N 1.526 19 residues pruned to eliminate duplicates Z: 6 4.742 1.808 -0.385 0.840 1.000 1.000 N 1.424 6 residues pruned to eliminate duplicates Z: 14 5.606 1.716 0.598 0.304 0.769 0.231 CA 0.917 14 residues pruned to eliminate duplicates Z: 10 20.099 2.212 0.748 0.589 0.889 0.556 CB 1.790 10 residues pruned to eliminate duplicates Z: 17 11.854 1.933 0.479 0.445 0.875 0.438 CB 1.254 16 residues pruned to eliminate duplicates Z: 16 10.032 1.936 0.500 0.401 0.867 0.600 CB 1.142 16 residues pruned to eliminate duplicates Z: 7 7.522 1.638 0.407 0.541 1.000 0.833 CB 1.280 6 residues pruned to eliminate duplicates Z: 7 4.718 1.583 1.209 0.532 0.667 0.500 CB 0.801 7 residues pruned to eliminate duplicates Z: 7 7.203 2.000 0.481 0.262 0.833 0.167 N 1.563 6 residues pruned to eliminate duplicates Z: 42 32.325 2.227 0.627 0.538 0.902 0.634 CB 1.487 42 residues pruned to eliminate duplicates Z: 33 35.788 2.079 0.667 0.722 1.000 0.562 CA 1.494 41 residues pruned to eliminate duplicates Z: 20 10.692 1.917 0.671 0.354 0.842 0.526 CA 1.064 19 residues pruned to eliminate duplicates Z: 12 16.063 1.936 0.945 0.820 0.818 0.455 CA 1.191 12 residues pruned to eliminate duplicates Z: 37 34.925 2.208 0.452 0.639 0.944 0.694 CB 1.687 37 residues pruned to eliminate duplicates Z: 9 13.181 1.797 0.366 0.862 1.000 0.875 CA 1.394 9 residues pruned to eliminate duplicates Z: 10 10.543 1.567 0.602 0.810 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 20 26.892 2.090 0.553 0.905 0.947 0.737 CA 1.428 20 residues pruned to eliminate duplicates Z: 6 6.308 1.901 0.285 0.398 1.000 0.400 CA 1.285 6 residues pruned to eliminate duplicates Z: 9 8.160 1.746 0.138 0.874 0.875 0.500 CB 1.208 10 residues pruned to eliminate duplicates Z: 7 5.229 1.663 0.063 0.744 1.000 0.500 CA 0.971 Z: 8 3.145 1.557 0.035 0.561 1.000 0.714 CB 0.695 Z: 6 2.059 1.298 0.282 0.390 0.800 0.600 CB 0.777 Z: 18 12.507 1.893 0.673 0.460 0.824 0.588 CB 1.211 18 residues pruned to eliminate duplicates Z: 9 6.910 1.743 0.445 0.290 0.875 0.500 CA 1.402 9 residues pruned to eliminate duplicates Z: 11 5.799 1.734 0.141 0.422 0.800 0.500 CA 1.258 12 residues pruned to eliminate duplicates Z: 51 28.730 1.952 0.558 0.512 0.900 0.680 CB 1.466 31 residues pruned to eliminate duplicates Z: 10 12.758 1.848 0.387 0.895 1.000 0.889 CA 1.190 10 residues pruned to eliminate duplicates Z: 13 5.582 1.561 0.434 0.506 0.917 0.750 CB 0.781 13 residues pruned to eliminate duplicates 6 1.113 1.292 -0.016 0.600 1.000 0.400 CB 0.356 ? Z: 10 8.172 1.729 0.470 0.615 1.000 0.889 CB 0.962 10 residues pruned to eliminate duplicates Z: 11 5.665 1.777 0.274 0.327 0.800 0.300 CA 1.196 11 residues pruned to eliminate duplicates Z: 30 13.740 1.880 0.424 0.414 0.862 0.517 CB 1.209 30 residues pruned to eliminate duplicates Z: 9 11.603 1.964 0.487 0.765 0.875 0.375 CB 1.269 9 residues pruned to eliminate duplicates Z: 13 10.314 2.045 0.450 0.356 0.833 0.417 CB 1.408 13 residues pruned to eliminate duplicates Z: 50 30.472 1.972 0.691 0.551 0.878 0.612 CA 1.415 50 residues pruned to eliminate duplicates Z: 16 9.286 1.694 0.262 0.590 0.867 0.733 CB 1.186 16 residues pruned to eliminate duplicates Z: 6 4.585 1.502 0.266 0.523 1.000 0.800 CB 1.055 Z: 7 7.243 1.780 0.826 0.490 0.833 0.500 CB 1.103 Z: 9 9.309 1.743 0.333 0.752 0.875 0.500 CA 1.293 9 residues pruned to eliminate duplicates Z: 10 8.590 1.672 0.389 0.497 1.000 0.778 CB 1.237 10 residues pruned to eliminate duplicates Z: 9 8.889 1.719 0.574 0.558 1.000 0.625 CB 1.098 10 residues pruned to eliminate duplicates Z: 38 38.819 2.163 0.660 0.668 0.919 0.459 CB 1.656 40 residues pruned to eliminate duplicates Z: 7 10.817 1.715 0.814 0.849 1.000 0.833 CB 1.051 7 residues pruned to eliminate duplicates Z: 9 4.954 1.344 0.565 0.825 1.000 0.625 CB 0.628 9 residues pruned to eliminate duplicates Z: 20 25.815 1.933 0.711 0.927 0.947 0.789 CB 1.324 20 residues pruned to eliminate duplicates Z: 9 11.162 1.796 0.312 0.798 0.875 0.500 CA 1.474 9 residues pruned to eliminate duplicates Z: 28 28.731 2.072 0.558 0.678 0.963 0.778 CA 1.510 28 residues pruned to eliminate duplicates Z: 11 7.391 1.943 0.585 0.411 0.800 0.500 CB 1.042 9 residues pruned to eliminate duplicates Z: 7 3.431 1.403 0.261 0.661 0.667 0.333 CA 1.023 6 residues pruned to eliminate duplicates Z: 10 7.089 1.663 0.350 0.382 0.889 0.556 CB 1.343 Z: 7 5.057 1.371 0.618 0.796 1.000 1.000 CB 0.718 Z: 14 6.588 1.788 0.324 0.416 0.923 0.692 CB 0.913 14 residues pruned to eliminate duplicates Z: 8 7.461 1.487 0.238 0.869 1.000 0.714 CA 1.119 6 residues pruned to eliminate duplicates Z: 16 23.338 1.983 0.613 0.892 0.867 0.600 CB 1.562 16 residues pruned to eliminate duplicates Z: 12 11.200 2.012 0.337 0.450 0.909 0.727 CA 1.454 12 residues pruned to eliminate duplicates Z: 8 9.192 1.932 0.526 0.476 0.857 0.714 CB 1.410 8 residues pruned to eliminate duplicates Z: 9 4.772 1.528 0.147 0.541 0.750 0.625 CB 1.233 6 residues pruned to eliminate duplicates Z: 28 26.346 1.976 0.449 0.693 1.000 0.815 CB 1.485 28 residues pruned to eliminate duplicates Z: 20 33.112 2.072 0.831 0.908 0.947 0.368 CA 1.501 20 residues pruned to eliminate duplicates Z: 6 2.352 1.381 0.271 0.444 0.600 0.400 CA 1.058 6 1.036 1.405 -0.302 0.385 0.600 0.400 CB 0.889 ? Z: 6 5.773 1.414 1.171 0.496 1.000 0.400 CB 0.844 Z: 23 15.928 1.913 0.643 0.453 0.864 0.636 CB 1.313 23 residues pruned to eliminate duplicates Z: 42 33.281 2.215 0.426 0.654 0.927 0.634 CB 1.539 42 residues pruned to eliminate duplicates Z: 15 6.016 1.603 0.219 0.554 0.857 0.714 CB 0.911 Z: 9 3.717 1.590 0.631 0.228 0.875 0.375 CB 0.796 8 residues pruned to eliminate duplicates Z: 8 2.386 1.198 0.038 0.340 0.857 0.429 C 1.007 Z: 6 3.744 1.445 0.386 0.664 1.000 0.600 C 0.718 Z: 7 2.823 1.576 -0.241 0.590 0.833 0.667 C 1.061 Z: 17 13.405 1.983 0.576 0.355 0.875 0.625 CA 1.433 16 residues pruned to eliminate duplicates Z: 22 12.697 1.946 0.886 0.197 0.857 0.381 CA 1.264 22 residues pruned to eliminate duplicates Z: 10 8.288 1.635 0.502 0.559 0.889 0.556 CB 1.195 13 residues pruned to eliminate duplicates Z: 10 11.991 1.803 1.029 0.701 1.000 0.778 CB 0.909 7 residues pruned to eliminate duplicates Z: 7 6.069 1.778 0.141 0.682 0.833 0.833 CB 1.239 7 residues pruned to eliminate duplicates Z: 15 13.360 2.034 0.468 0.375 0.929 0.571 CA 1.472 14 residues pruned to eliminate duplicates Z: 11 10.741 1.890 0.265 0.512 1.000 0.800 CA 1.404 11 residues pruned to eliminate duplicates Z: 9 13.307 1.706 0.630 0.864 1.000 0.625 CA 1.240 9 residues pruned to eliminate duplicates Z: 14 8.345 1.656 0.632 0.354 0.846 0.615 CB 1.185 10 residues pruned to eliminate duplicates Z: 6 4.225 1.835 -0.217 0.564 1.000 0.600 CB 1.236 6 residues pruned to eliminate duplicates Z: 7 7.178 1.572 0.973 0.550 0.833 0.833 CA 1.080 7 residues pruned to eliminate duplicates Z: 8 3.347 1.412 0.496 0.617 0.857 0.571 CB 0.625 Z: 7 17.037 2.190 0.562 0.744 1.000 1.000 CA 1.635 8 residues pruned to eliminate duplicates Z: 6 2.216 1.562 0.257 0.338 0.800 0.400 CB 0.753 Z: 8 5.599 1.807 0.411 0.329 0.714 0.571 CB 1.402 8 residues pruned to eliminate duplicates Z: 26 15.385 1.862 0.628 0.378 0.840 0.680 CB 1.376 26 residues pruned to eliminate duplicates Z: 6 3.286 1.787 -0.172 0.482 0.800 0.600 CB 1.265 Z: 10 7.619 1.991 0.500 0.472 0.667 0.667 CA 1.312 12 residues pruned to eliminate duplicates Z: 15 12.698 1.951 0.403 0.456 0.929 0.643 CA 1.397 13 residues pruned to eliminate duplicates Z: 6 2.813 1.468 0.586 0.297 0.600 0.400 CA 1.130 Z: 40 25.422 1.975 0.628 0.527 0.872 0.513 CA 1.414 35 residues pruned to eliminate duplicates Z: 8 4.725 1.699 0.326 0.547 0.714 0.571 CA 1.060 8 residues pruned to eliminate duplicates Z: 6 3.475 1.735 0.621 0.407 0.800 0.600 CB 0.762 6 residues pruned to eliminate duplicates 6 1.468 1.303 0.475 0.294 0.600 0.400 CA 0.717 ? Z: 7 3.227 1.428 -0.005 0.489 1.000 0.667 CB 0.937 Z: 7 3.656 1.691 0.161 0.530 0.833 0.500 CB 0.886 Z: 12 7.544 1.790 0.374 0.376 0.909 0.545 CB 1.162 12 residues pruned to eliminate duplicates Z: 67 43.291 2.086 0.764 0.596 0.894 0.515 CA 1.479 65 residues pruned to eliminate duplicates Z: 11 5.039 1.583 0.450 0.462 0.800 0.500 CB 0.902 Z: 10 5.054 1.919 0.184 0.360 0.778 0.444 CA 1.108 10 residues pruned to eliminate duplicates Z: 12 3.901 1.631 0.126 0.510 0.909 0.545 CB 0.698 Z: 7 7.998 1.668 0.245 0.721 1.000 0.667 CB 1.288 Z: 18 12.367 1.860 0.282 0.373 1.000 0.471 CB 1.441 18 residues pruned to eliminate duplicates Z: 6 4.348 1.613 0.682 0.342 0.600 0.400 CB 1.419 6 residues pruned to eliminate duplicates Z: 42 36.418 2.207 0.566 0.657 0.951 0.707 CB 1.495 42 residues pruned to eliminate duplicates Z: 23 12.770 2.028 0.357 0.397 0.727 0.364 CA 1.516 23 residues pruned to eliminate duplicates Z: 10 7.488 1.915 0.503 0.470 0.778 0.556 CB 1.149 10 residues pruned to eliminate duplicates Z: 9 2.446 1.679 0.152 0.291 0.750 0.750 CB 0.754 Z: 28 20.915 2.049 0.489 0.527 0.852 0.667 CB 1.507 28 residues pruned to eliminate duplicates Z: 29 22.542 2.038 0.792 0.455 0.929 0.536 CB 1.315 29 residues pruned to eliminate duplicates Z: 6 5.025 1.473 0.134 0.566 1.000 0.600 CA 1.263 6 residues pruned to eliminate duplicates Z: 17 11.637 1.806 0.246 0.370 1.000 0.562 CB 1.486 23 residues pruned to eliminate duplicates Z: 10 6.674 1.465 0.279 0.827 0.889 0.667 CA 1.007 10 residues pruned to eliminate duplicates Z: 7 2.931 1.590 0.276 0.243 0.667 0.500 CB 1.190 Z: 6 3.415 1.424 -0.074 0.589 1.000 0.400 N 1.064 Z: 10 18.060 2.143 0.762 0.577 0.889 0.667 CB 1.665 10 residues pruned to eliminate duplicates 6 1.284 1.182 1.056 0.445 0.600 0.400 CB 0.417 ? Z: 11 14.962 1.878 0.717 0.649 1.000 0.800 CB 1.277 11 residues pruned to eliminate duplicates Z: 19 12.066 1.866 0.283 0.408 0.944 0.500 CB 1.386 19 residues pruned to eliminate duplicates Z: 13 6.237 1.810 0.528 0.270 0.833 0.500 CB 1.015 13 residues pruned to eliminate duplicates Z: 21 24.866 1.989 0.373 0.911 0.950 0.700 CB 1.518 21 residues pruned to eliminate duplicates Z: 18 12.690 1.804 0.485 0.491 0.824 0.706 CB 1.408 18 residues pruned to eliminate duplicates Z: 17 9.892 1.759 0.362 0.304 0.938 0.500 CB 1.370 15 residues pruned to eliminate duplicates Z: 6 7.883 1.698 0.100 0.846 1.000 0.400 C 1.402 6 residues pruned to eliminate duplicates Z: 6 7.733 1.538 0.880 0.723 1.000 0.800 CB 0.978 Z: 24 10.275 1.910 0.241 0.352 0.783 0.478 CB 1.356 24 residues pruned to eliminate duplicates Z: 15 13.031 1.853 0.423 0.491 0.929 0.500 N 1.436 15 residues pruned to eliminate duplicates Z: 7 7.898 1.518 0.308 0.861 1.000 0.667 CA 1.193 7 residues pruned to eliminate duplicates Z: 6 5.838 1.427 0.536 0.658 1.000 0.600 O 1.029 Z: 7 2.593 1.477 0.195 0.459 0.833 0.667 CB 0.750 Z: 10 3.872 1.682 0.238 0.305 0.667 0.444 CA 1.155 10 residues pruned to eliminate duplicates Z: 22 9.732 1.847 0.664 0.320 0.714 0.429 CB 1.180 22 residues pruned to eliminate duplicates Z: 14 7.649 1.865 0.354 0.423 0.846 0.692 CB 1.076 14 residues pruned to eliminate duplicates Z: 6 3.998 1.495 0.300 0.658 1.000 0.600 N 0.794 Z: 7 3.597 1.698 0.397 0.415 0.667 0.500 CB 1.014 7 residues pruned to eliminate duplicates Z: 16 8.259 1.965 0.205 0.376 0.867 0.400 CB 1.187 16 residues pruned to eliminate duplicates Z: 8 7.128 1.666 0.412 0.508 1.000 0.571 C 1.136 8 residues pruned to eliminate duplicates Z: 9 3.923 1.456 0.351 0.308 0.875 0.750 CB 0.997 Z: 8 9.904 1.687 0.546 0.794 1.000 0.429 CB 1.109 9 residues pruned to eliminate duplicates Z: 8 13.595 1.935 0.683 0.874 0.714 0.714 CB 1.607 8 residues pruned to eliminate duplicates Z: 8 8.307 1.811 0.100 0.598 1.000 0.571 CA 1.435 Z: 6 2.331 1.524 0.527 0.417 0.600 0.400 CB 0.814 6 1.972 1.315 0.551 0.172 0.800 0.400 CA 0.805 ? Z: 9 6.481 1.469 0.537 0.461 1.000 0.625 CB 1.055 15 residues pruned to eliminate duplicates Z: 9 9.644 1.990 0.330 0.594 0.875 0.625 CB 1.345 12 residues pruned to eliminate duplicates Z: 26 15.213 1.806 0.523 0.378 0.880 0.520 CB 1.432 26 residues pruned to eliminate duplicates Z: 11 4.153 1.447 0.315 0.353 0.800 0.400 CA 1.012 Z: 16 5.622 1.729 0.187 0.257 0.867 0.400 CB 1.077 Z: 15 7.937 1.719 0.781 0.386 0.786 0.429 CA 0.995 15 residues pruned to eliminate duplicates Z: 22 24.717 1.916 0.687 0.851 0.857 0.429 CA 1.441 22 residues pruned to eliminate duplicates Z: 7 2.452 1.275 0.022 0.510 1.000 0.667 CA 0.760 7 residues pruned to eliminate duplicates Z: 11 8.061 1.945 0.713 0.188 0.900 0.500 CA 1.235 11 residues pruned to eliminate duplicates Z: 9 4.328 1.502 0.573 0.285 0.750 0.375 N 1.100 6 residues pruned to eliminate duplicates Z: 6 3.140 1.375 0.226 0.527 1.000 0.600 CB 0.811 Z: 13 10.405 1.733 0.937 0.469 0.917 0.667 CA 1.007 13 residues pruned to eliminate duplicates Z: 9 4.042 1.709 0.222 0.358 0.750 0.500 CB 1.063 9 residues pruned to eliminate duplicates Z: 6 6.420 1.223 0.806 0.818 1.000 0.800 N 0.987 6 residues pruned to eliminate duplicates Z: 15 13.550 1.952 0.472 0.475 0.929 0.571 CA 1.392 15 residues pruned to eliminate duplicates Z: 15 8.422 1.685 0.302 0.478 0.929 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 7 6.833 1.767 0.572 0.292 1.000 0.667 CB 1.268 6 residues pruned to eliminate duplicates Z: 9 5.950 1.636 0.207 0.542 0.875 0.875 CB 1.168 9 residues pruned to eliminate duplicates Z: 52 33.132 1.977 0.721 0.637 0.804 0.490 CB 1.492 52 residues pruned to eliminate duplicates Z: 6 2.799 1.523 0.233 0.524 0.800 0.600 N 0.814 Z: 10 3.781 1.592 0.558 0.480 0.667 0.556 CB 0.778 Z: 17 21.848 2.069 0.668 0.771 0.938 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 12 17.654 1.822 0.536 0.885 1.000 0.545 CA 1.373 12 residues pruned to eliminate duplicates Z: 11 3.451 1.633 0.673 0.149 0.600 0.300 CB 1.026 Z: 8 7.329 1.602 0.549 0.321 1.000 0.571 CA 1.359 8 residues pruned to eliminate duplicates Z: 17 17.529 2.022 0.247 0.796 1.000 1.000 CB 1.341 17 residues pruned to eliminate duplicates Z: 18 9.300 1.741 0.425 0.455 0.824 0.588 CB 1.155 19 residues pruned to eliminate duplicates Z: 26 28.345 2.119 0.506 0.694 0.920 0.680 CB 1.618 26 residues pruned to eliminate duplicates Z: 7 5.871 1.746 0.450 0.376 0.833 0.833 CA 1.297 7 residues pruned to eliminate duplicates Z: 10 2.190 1.598 0.633 0.250 0.444 0.222 CB 0.839 10 residues pruned to eliminate duplicates Z: 6 2.266 1.351 0.318 0.414 0.800 0.400 CB 0.779 Z: 8 2.935 1.547 0.712 0.383 0.857 0.714 CB 0.554 Z: 8 3.480 1.541 0.650 0.370 0.714 0.571 CB 0.833 8 residues pruned to eliminate duplicates Z: 61 39.327 2.204 0.563 0.563 0.900 0.650 CB 1.540 54 residues pruned to eliminate duplicates Z: 12 14.734 1.732 0.500 0.890 1.000 0.909 CA 1.230 12 residues pruned to eliminate duplicates Z: 6 2.006 1.228 0.175 0.423 0.800 0.600 CB 0.841 Z: 17 8.737 1.915 0.415 0.317 0.875 0.438 CB 1.128 17 residues pruned to eliminate duplicates Z: 32 15.058 1.984 0.319 0.381 0.806 0.419 CB 1.454 32 residues pruned to eliminate duplicates Z: 22 15.431 1.873 0.525 0.360 0.905 0.619 CA 1.516 22 residues pruned to eliminate duplicates Z: 14 16.790 1.824 0.908 0.865 0.692 0.538 CB 1.416 14 residues pruned to eliminate duplicates 6 1.404 1.438 0.387 0.100 0.600 0.400 CB 0.875 ? Z: 23 19.795 1.968 0.758 0.486 0.955 0.636 CA 1.296 23 residues pruned to eliminate duplicates Z: 7 8.895 1.907 0.185 0.790 1.000 1.000 CA 1.246 6 residues pruned to eliminate duplicates Z: 11 2.660 1.346 0.138 0.383 0.700 0.500 C 0.889 Z: 12 3.541 1.341 0.210 0.300 1.000 0.273 N 0.823 Z: 11 8.632 1.466 0.517 0.652 1.000 1.000 CB 1.065 11 residues pruned to eliminate duplicates Z: 14 10.437 1.792 0.337 0.536 0.923 0.462 CA 1.264 14 residues pruned to eliminate duplicates Z: 11 3.724 1.497 0.528 0.284 0.900 0.300 CB 0.729 Z: 13 9.285 1.887 0.247 0.331 1.000 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 12 6.980 1.649 0.368 0.505 0.909 0.727 CA 1.021 12 residues pruned to eliminate duplicates Z: 56 33.378 1.957 0.755 0.532 0.836 0.491 CB 1.518 56 residues pruned to eliminate duplicates Z: 6 4.608 1.713 0.462 0.607 0.800 0.400 N 0.930 Z: 35 26.931 1.991 0.663 0.606 0.941 0.588 CA 1.341 38 residues pruned to eliminate duplicates Z: 11 8.355 1.781 0.527 0.408 0.800 0.500 N 1.338 11 residues pruned to eliminate duplicates Z: 12 5.627 1.777 0.210 0.492 0.818 0.545 CB 0.973 12 residues pruned to eliminate duplicates Z: 12 7.206 1.838 0.131 0.527 0.909 0.636 CA 1.119 12 residues pruned to eliminate duplicates Z: 18 23.442 2.034 0.838 0.865 1.000 0.647 CB 1.114 18 residues pruned to eliminate duplicates Z: 6 3.174 1.281 0.045 0.668 1.000 0.600 N 0.908 Z: 7 3.581 1.363 0.171 0.650 1.000 0.833 C 0.797 Z: 28 32.481 2.021 0.932 0.751 0.963 0.741 CA 1.329 28 residues pruned to eliminate duplicates Z: 11 9.480 1.775 0.388 0.317 1.000 0.500 CB 1.488 11 residues pruned to eliminate duplicates Z: 47 43.151 2.066 0.799 0.712 0.978 0.630 CA 1.443 47 residues pruned to eliminate duplicates Z: 13 5.515 1.686 0.191 0.402 0.833 0.417 CB 1.055 13 residues pruned to eliminate duplicates Z: 16 8.091 1.753 0.329 0.445 0.867 0.533 CB 1.095 16 residues pruned to eliminate duplicates Z: 18 15.320 2.054 0.265 0.583 0.941 0.529 CA 1.402 18 residues pruned to eliminate duplicates Z: 14 11.364 2.047 0.497 0.497 0.923 0.538 CB 1.117 15 residues pruned to eliminate duplicates Z: 7 5.090 1.531 0.729 0.453 0.833 0.833 CB 0.988 6 residues pruned to eliminate duplicates Z: 6 7.155 1.612 0.220 0.650 1.000 1.000 O 1.415 Z: 18 6.264 1.671 0.405 0.340 0.765 0.471 CB 1.007 18 residues pruned to eliminate duplicates Z: 7 12.368 1.955 0.883 0.888 1.000 0.667 CB 0.989 7 residues pruned to eliminate duplicates Z: 16 8.940 1.751 0.245 0.315 0.933 0.533 CA 1.392 16 residues pruned to eliminate duplicates Z: 6 2.220 1.515 -0.282 0.375 1.000 0.600 CB 1.043 7 residues pruned to eliminate duplicates Z: 6 2.242 1.321 0.341 0.442 1.000 0.600 CB 0.601 Z: 9 3.146 1.470 0.361 0.269 0.750 0.250 CB 0.963 Z: 9 7.972 2.029 0.123 0.832 0.750 0.625 CA 1.238 9 residues pruned to eliminate duplicates Z: 15 22.137 2.117 0.983 0.885 0.857 0.429 CB 1.188 15 residues pruned to eliminate duplicates Z: 11 5.874 1.595 0.373 0.492 0.800 0.600 N 1.069 11 residues pruned to eliminate duplicates Z: 37 34.180 2.120 0.654 0.632 0.917 0.583 CB 1.566 37 residues pruned to eliminate duplicates Z: 10 13.723 1.817 0.555 0.670 1.000 0.444 CA 1.384 10 residues pruned to eliminate duplicates Z: 8 3.358 1.425 0.289 0.333 0.857 0.429 CB 0.968 Z: 22 14.565 1.929 0.548 0.335 0.810 0.524 CB 1.575 22 residues pruned to eliminate duplicates Z: 7 2.258 1.476 0.517 0.334 0.667 0.500 CB 0.741 Z: 11 4.640 1.596 0.322 0.377 0.900 0.400 CB 0.881 12 1.747 1.448 0.315 0.136 0.545 0.455 CB 0.797 ? Z: 11 20.020 2.045 0.603 0.907 0.900 0.800 CA 1.525 11 residues pruned to eliminate duplicates Z: 12 6.670 1.807 0.401 0.482 0.727 0.545 CA 1.112 12 residues pruned to eliminate duplicates Z: 9 12.962 1.701 0.963 0.858 1.000 1.000 CA 1.010 9 residues pruned to eliminate duplicates Z: 12 3.971 1.495 -0.015 0.479 0.909 0.455 N 0.913 8 residues pruned to eliminate duplicates Z: 15 5.045 1.510 0.445 0.184 0.714 0.429 CA 1.266 15 residues pruned to eliminate duplicates Z: 28 13.569 1.927 0.590 0.328 0.852 0.481 CB 1.209 28 residues pruned to eliminate duplicates Z: 8 2.774 1.349 0.420 0.296 0.857 0.571 CA 0.802 Z: 9 5.767 1.867 0.022 0.342 1.000 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 12 21.617 1.956 0.761 0.761 1.000 0.273 CB 1.500 12 residues pruned to eliminate duplicates Z: 15 35.809 2.274 0.769 0.863 1.000 0.786 CA 1.745 15 residues pruned to eliminate duplicates Z: 14 10.545 1.892 0.430 0.459 0.846 0.769 CA 1.333 14 residues pruned to eliminate duplicates Z: 10 2.665 1.370 0.784 0.306 0.667 0.222 CA 0.676 6 1.035 1.034 0.085 0.386 0.600 0.600 C 0.777 ? Z: 21 8.310 1.806 0.364 0.357 0.850 0.550 CB 1.036 33 residues pruned to eliminate duplicates Z: 10 5.660 1.419 1.127 0.281 1.000 0.556 N 0.800 Z: 35 33.309 2.079 0.593 0.636 1.000 0.735 CB 1.518 35 residues pruned to eliminate duplicates Z: 8 7.625 1.712 -0.050 0.832 1.000 0.857 CB 1.331 8 residues pruned to eliminate duplicates Z: 11 3.717 1.464 0.106 0.249 0.800 0.500 N 1.212 Z: 19 19.870 2.086 0.470 0.596 1.000 0.778 CA 1.393 19 residues pruned to eliminate duplicates Z: 7 3.708 1.502 -0.003 0.724 0.833 0.833 C 0.991 7 residues pruned to eliminate duplicates Z: 30 19.571 1.964 0.627 0.521 0.897 0.586 CB 1.242 30 residues pruned to eliminate duplicates Z: 17 7.343 1.737 0.292 0.386 0.875 0.375 CB 1.055 17 residues pruned to eliminate duplicates Z: 9 3.224 1.358 0.568 0.172 0.750 0.250 CB 1.061 Z: 17 12.537 1.895 0.603 0.382 0.812 0.562 CB 1.440 17 residues pruned to eliminate duplicates Z: 10 2.620 1.612 0.120 0.348 0.556 0.333 CB 1.026 Z: 11 15.180 1.973 0.699 0.617 1.000 0.600 CA 1.282 11 residues pruned to eliminate duplicates Z: 10 2.825 1.417 0.600 0.160 0.778 0.667 N 0.808 Z: 22 11.657 1.777 0.448 0.363 0.857 0.476 CA 1.336 16 residues pruned to eliminate duplicates Z: 7 5.252 1.542 0.274 0.682 1.000 0.833 CB 0.923 7 residues pruned to eliminate duplicates Z: 10 9.748 1.929 0.340 0.550 0.889 0.778 CB 1.347 10 residues pruned to eliminate duplicates 6 1.718 1.334 0.399 0.322 0.800 0.800 CB 0.626 ? Z: 7 6.563 1.746 0.535 0.625 0.833 0.833 CA 1.066 6 residues pruned to eliminate duplicates Z: 8 2.688 1.464 0.111 0.451 0.714 0.429 N 0.920 Z: 9 7.779 1.580 0.252 0.866 1.000 0.500 CA 1.018 9 residues pruned to eliminate duplicates Z: 19 15.619 2.049 0.566 0.319 0.833 0.500 CA 1.681 19 residues pruned to eliminate duplicates Z: 8 2.059 1.546 0.047 0.393 0.857 0.571 CB 0.628 Z: 14 14.841 1.873 0.326 0.578 1.000 0.692 N 1.538 14 residues pruned to eliminate duplicates Z: 11 4.634 1.698 0.280 0.436 0.800 0.500 CB 0.900 11 residues pruned to eliminate duplicates Z: 7 7.463 1.707 0.878 0.704 0.833 0.833 CB 0.947 7 residues pruned to eliminate duplicates Z: 22 13.467 1.902 0.334 0.422 0.952 0.429 CA 1.319 22 residues pruned to eliminate duplicates Z: 25 24.234 2.029 0.543 0.647 0.917 0.792 CA 1.504 25 residues pruned to eliminate duplicates Z: 7 3.833 1.416 0.583 0.321 1.000 0.667 CB 0.850 Z: 9 3.641 1.627 0.105 0.316 0.875 0.750 CB 1.003 9 residues pruned to eliminate duplicates Z: 6 2.523 1.490 -0.275 0.585 1.000 0.400 CB 0.962 5 residues pruned to eliminate duplicates Z: 8 6.336 1.668 0.673 0.357 0.857 0.429 CB 1.169 Z: 6 2.205 1.386 0.744 0.367 0.800 0.600 CB 0.588 Z: 9 4.682 1.723 0.553 0.362 0.625 0.375 CB 1.148 6 residues pruned to eliminate duplicates Z: 8 3.088 1.223 0.562 0.446 0.714 0.286 CB 0.904 Z: 18 14.302 2.025 0.476 0.424 0.882 0.706 CA 1.424 18 residues pruned to eliminate duplicates Z: 19 11.092 1.813 0.409 0.302 0.944 0.611 CA 1.351 19 residues pruned to eliminate duplicates Z: 6 7.674 1.819 0.482 0.628 1.000 0.800 CB 1.129 6 residues pruned to eliminate duplicates Z: 7 2.895 1.560 0.104 0.196 0.833 0.500 CB 1.182 Z: 8 3.692 1.398 0.129 0.357 1.000 0.714 CB 1.032 Z: 22 15.192 1.926 0.688 0.412 0.952 0.667 CA 1.173 22 residues pruned to eliminate duplicates Z: 9 4.312 1.599 0.440 0.409 0.875 0.750 CA 0.833 9 residues pruned to eliminate duplicates 6 1.517 1.509 -0.179 0.242 0.800 0.400 CB 0.923 ? Using tripeptides from previous cycle as seeds Z: 9 13.919 1.947 0.475 0.693 0.875 0.875 CA 1.642 9 residues pruned to eliminate duplicates Z: 10 13.568 1.872 0.654 0.620 0.889 0.778 CA 1.467 10 residues pruned to eliminate duplicates Z: 10 14.409 1.839 0.598 0.622 0.889 0.778 CA 1.639 10 residues pruned to eliminate duplicates Z: 9 14.584 1.913 0.603 0.702 0.875 0.750 CA 1.598 9 residues pruned to eliminate duplicates Z: 10 11.966 1.801 0.663 0.654 0.778 0.778 CA 1.484 10 residues pruned to eliminate duplicates Z: 10 10.240 1.762 0.778 0.510 0.778 0.556 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 14.158 1.835 0.683 0.631 0.889 0.667 CA 1.520 10 residues pruned to eliminate duplicates Z: 8 7.006 1.850 0.387 0.542 0.714 0.571 CA 1.386 8 residues pruned to eliminate duplicates Z: 10 6.458 1.626 0.452 0.439 0.778 0.444 CB 1.248 9 residues pruned to eliminate duplicates Z: 8 4.988 1.678 0.111 0.428 0.857 0.571 N 1.271 8 residues pruned to eliminate duplicates Z: 9 5.175 1.790 0.209 0.492 0.625 0.500 CA 1.364 9 residues pruned to eliminate duplicates Z: 10 7.481 1.702 0.327 0.498 0.889 0.444 CB 1.244 10 residues pruned to eliminate duplicates Z: 7 9.064 1.840 0.358 0.608 1.000 0.500 CA 1.336 7 residues pruned to eliminate duplicates Z: 11 8.402 1.784 0.355 0.486 0.900 0.500 CB 1.238 12 residues pruned to eliminate duplicates Z: 7 7.721 1.880 0.746 0.578 0.833 0.333 CB 1.069 7 residues pruned to eliminate duplicates Z: 16 10.249 1.943 0.541 0.363 0.800 0.467 CB 1.280 16 residues pruned to eliminate duplicates Z: 19 9.603 1.885 0.230 0.372 0.944 0.500 CB 1.186 19 residues pruned to eliminate duplicates Z: 19 10.781 1.889 0.407 0.406 0.778 0.611 CB 1.356 19 residues pruned to eliminate duplicates Z: 15 8.133 1.962 0.274 0.421 0.786 0.643 CB 1.202 15 residues pruned to eliminate duplicates Z: 17 11.586 1.941 0.456 0.418 0.875 0.438 CB 1.276 17 residues pruned to eliminate duplicates Z: 22 10.700 1.874 0.384 0.367 0.810 0.524 CB 1.283 22 residues pruned to eliminate duplicates Z: 7 6.375 1.566 0.847 0.346 0.833 0.333 CA 1.277 6 residues pruned to eliminate duplicates Z: 6 4.439 1.593 0.523 0.444 0.800 0.600 CA 1.083 6 residues pruned to eliminate duplicates Z: 20 13.494 1.863 0.471 0.321 1.000 0.368 CB 1.377 23 residues pruned to eliminate duplicates Z: 7 4.421 1.610 0.444 0.377 0.833 0.500 CA 1.063 7 residues pruned to eliminate duplicates Z: 30 15.064 1.823 0.513 0.337 0.897 0.448 CB 1.351 48 residues pruned to eliminate duplicates Z: 6 3.916 1.642 0.292 0.301 1.000 0.200 O 1.030 6 residues pruned to eliminate duplicates Z: 23 12.792 1.847 0.379 0.378 0.955 0.545 CB 1.279 21 residues pruned to eliminate duplicates Z: 6 4.452 1.504 0.657 0.260 1.000 0.200 CB 1.052 6 residues pruned to eliminate duplicates Z: 22 13.896 1.862 0.426 0.369 0.952 0.524 CB 1.379 22 residues pruned to eliminate duplicates Z: 23 13.491 1.834 0.396 0.383 1.000 0.500 CB 1.272 23 residues pruned to eliminate duplicates Z: 9 2.884 1.742 0.226 0.244 0.500 0.375 CB 1.283 9 residues pruned to eliminate duplicates Z: 17 8.759 1.831 0.121 0.323 0.938 0.438 CB 1.382 17 residues pruned to eliminate duplicates Z: 13 4.080 1.729 -0.017 0.415 0.833 0.583 CB 0.909 12 residues pruned to eliminate duplicates 8 1.785 1.411 0.076 0.217 0.714 0.000 CB 0.867 ? Z: 6 3.275 1.550 0.626 0.323 1.000 0.800 N 0.706 6 residues pruned to eliminate duplicates Z: 10 13.523 1.887 0.723 0.561 0.889 0.556 N 1.470 10 residues pruned to eliminate duplicates Z: 9 13.147 1.909 0.683 0.557 1.000 0.500 CA 1.368 9 residues pruned to eliminate duplicates Z: 8 20.456 2.164 0.846 0.712 1.000 0.714 CA 1.597 8 residues pruned to eliminate duplicates Z: 10 14.256 1.895 0.805 0.553 0.889 0.556 CB 1.484 10 residues pruned to eliminate duplicates Z: 32 14.549 1.961 0.385 0.306 0.871 0.581 CB 1.372 32 residues pruned to eliminate duplicates Z: 20 12.513 1.900 0.450 0.326 0.895 0.737 CB 1.409 20 residues pruned to eliminate duplicates Z: 21 13.472 1.875 0.459 0.329 0.950 0.600 CA 1.397 21 residues pruned to eliminate duplicates Z: 22 12.312 1.818 0.538 0.368 0.952 0.619 CB 1.162 22 residues pruned to eliminate duplicates Z: 21 15.060 1.898 0.548 0.356 0.950 0.550 CA 1.410 20 residues pruned to eliminate duplicates Z: 7 8.429 1.850 0.444 0.470 1.000 0.500 CA 1.328 7 residues pruned to eliminate duplicates Z: 21 12.192 1.843 0.424 0.361 1.000 0.600 CB 1.207 21 residues pruned to eliminate duplicates Z: 35 15.233 1.942 0.442 0.328 0.824 0.412 CB 1.368 35 residues pruned to eliminate duplicates Z: 21 11.099 1.843 0.424 0.351 0.850 0.700 CB 1.308 21 residues pruned to eliminate duplicates Z: 23 12.083 1.779 0.412 0.341 0.909 0.500 CB 1.341 20 residues pruned to eliminate duplicates Z: 7 6.465 1.900 0.465 0.432 0.833 0.500 CB 1.221 7 residues pruned to eliminate duplicates Z: 31 13.857 1.979 0.350 0.266 0.867 0.567 CB 1.427 31 residues pruned to eliminate duplicates Z: 28 13.262 1.917 0.320 0.318 0.852 0.556 CB 1.447 28 residues pruned to eliminate duplicates Z: 20 12.643 1.891 0.388 0.328 0.947 0.526 CA 1.408 20 residues pruned to eliminate duplicates Z: 15 8.638 1.939 0.312 0.255 0.857 0.571 CB 1.403 15 residues pruned to eliminate duplicates Z: 16 7.958 1.775 0.261 0.274 0.933 0.533 CA 1.271 16 residues pruned to eliminate duplicates Z: 21 12.225 1.832 0.353 0.322 1.000 0.650 CA 1.341 21 residues pruned to eliminate duplicates Z: 20 14.860 1.909 0.586 0.351 1.000 0.789 CA 1.323 20 residues pruned to eliminate duplicates Z: 29 12.813 1.921 0.407 0.310 0.821 0.464 CB 1.347 29 residues pruned to eliminate duplicates Z: 41 12.044 1.920 0.276 0.236 0.725 0.475 CB 1.456 41 residues pruned to eliminate duplicates Z: 33 13.386 1.965 0.329 0.302 0.781 0.531 CB 1.446 33 residues pruned to eliminate duplicates Z: 29 14.028 1.939 0.445 0.287 0.821 0.536 CB 1.464 29 residues pruned to eliminate duplicates Z: 27 14.138 1.947 0.364 0.337 0.846 0.500 CB 1.474 27 residues pruned to eliminate duplicates Z: 21 7.959 1.868 0.443 0.242 0.750 0.250 CB 1.187 21 residues pruned to eliminate duplicates Z: 13 10.670 2.053 0.649 0.318 0.750 0.500 CB 1.482 13 residues pruned to eliminate duplicates Z: 19 9.540 2.007 0.412 0.244 0.778 0.556 CB 1.371 19 residues pruned to eliminate duplicates Z: 15 11.228 2.118 0.621 0.318 0.786 0.429 CB 1.359 15 residues pruned to eliminate duplicates Z: 18 8.345 2.002 0.330 0.237 0.765 0.412 CB 1.350 18 residues pruned to eliminate duplicates Z: 19 11.389 2.012 0.448 0.273 0.833 0.500 CB 1.430 19 residues pruned to eliminate duplicates Z: 18 10.928 1.935 0.533 0.253 0.824 0.412 CB 1.440 18 residues pruned to eliminate duplicates Z: 25 7.197 1.699 0.434 0.259 0.792 0.208 CB 1.003 19 residues pruned to eliminate duplicates Z: 19 8.648 1.979 0.261 0.287 0.722 0.500 CB 1.437 19 residues pruned to eliminate duplicates Z: 15 13.354 2.108 0.503 0.302 0.929 0.571 CB 1.513 15 residues pruned to eliminate duplicates Z: 18 10.408 1.926 0.598 0.309 0.882 0.471 CB 1.150 18 residues pruned to eliminate duplicates Z: 20 11.944 2.020 0.553 0.321 0.789 0.421 CB 1.348 20 residues pruned to eliminate duplicates Z: 25 9.641 2.003 0.361 0.216 0.792 0.333 CB 1.273 25 residues pruned to eliminate duplicates Z: 14 6.281 1.784 0.332 0.208 0.923 0.308 CB 1.123 14 residues pruned to eliminate duplicates Z: 16 7.809 1.981 0.228 0.176 0.933 0.333 CB 1.315 11 residues pruned to eliminate duplicates Z: 11 4.159 1.669 0.364 0.180 0.800 0.400 CB 1.061 11 residues pruned to eliminate duplicates Z: 10 4.186 1.809 0.359 0.140 0.778 0.222 CB 1.140 10 residues pruned to eliminate duplicates Z: 8 2.821 1.611 -0.035 0.277 0.857 0.286 CB 1.030 8 residues pruned to eliminate duplicates Z: 17 7.875 1.927 0.340 0.216 0.875 0.625 CB 1.216 18 residues pruned to eliminate duplicates Z: 12 12.122 1.976 0.522 0.460 0.909 0.636 CA 1.392 12 residues pruned to eliminate duplicates Z: 19 11.529 1.709 0.455 0.449 0.944 0.500 CB 1.219 15 residues pruned to eliminate duplicates Z: 7 2.381 1.503 0.140 0.190 0.833 0.500 CA 0.986 7 residues pruned to eliminate duplicates Z: 13 14.791 1.961 0.501 0.576 0.917 0.750 CA 1.471 13 residues pruned to eliminate duplicates Z: 6 6.602 1.738 0.874 0.346 1.000 0.800 CA 1.072 6 residues pruned to eliminate duplicates Z: 14 14.556 1.881 0.641 0.498 0.923 0.692 CB 1.420 13 residues pruned to eliminate duplicates Z: 6 3.639 1.426 0.781 0.387 0.800 0.400 CB 0.902 6 residues pruned to eliminate duplicates Z: 10 10.523 2.047 0.445 0.577 0.889 0.667 CB 1.239 10 residues pruned to eliminate duplicates Z: 13 11.014 1.864 0.489 0.609 0.917 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 12 12.862 1.994 0.479 0.607 0.909 0.636 CB 1.306 12 residues pruned to eliminate duplicates Z: 11 14.693 2.070 0.423 0.637 1.000 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 12 12.309 1.978 0.363 0.577 0.909 0.545 CB 1.406 12 residues pruned to eliminate duplicates Z: 13 9.637 1.875 0.681 0.346 0.833 0.500 CA 1.252 10 residues pruned to eliminate duplicates Z: 6 6.945 1.620 1.097 0.290 1.000 0.200 CA 1.157 6 residues pruned to eliminate duplicates Z: 13 9.834 1.800 0.600 0.404 0.833 0.583 CA 1.309 13 residues pruned to eliminate duplicates Z: 6 7.108 2.096 0.554 0.551 0.600 0.600 CB 1.548 6 residues pruned to eliminate duplicates Z: 10 9.948 1.973 0.637 0.535 0.778 0.667 CA 1.275 12 residues pruned to eliminate duplicates Z: 6 3.384 1.356 1.170 0.378 1.000 0.600 CA 0.586 Z: 6 3.501 1.340 0.615 0.404 1.000 0.600 CA 0.800 6 residues pruned to eliminate duplicates Z: 38 27.525 2.036 0.698 0.579 0.892 0.568 CA 1.360 38 residues pruned to eliminate duplicates Z: 42 22.908 1.914 0.588 0.549 0.927 0.585 CA 1.210 42 residues pruned to eliminate duplicates Z: 39 27.636 1.968 0.761 0.575 0.921 0.579 CA 1.307 39 residues pruned to eliminate duplicates Z: 15 14.921 2.021 0.602 0.631 0.929 0.571 CA 1.173 15 residues pruned to eliminate duplicates Z: 65 37.673 2.061 0.733 0.533 0.891 0.609 CA 1.434 65 residues pruned to eliminate duplicates Z: 36 29.959 2.042 0.724 0.623 0.914 0.600 CA 1.402 36 residues pruned to eliminate duplicates Z: 38 26.753 2.004 0.690 0.579 0.946 0.568 CA 1.273 38 residues pruned to eliminate duplicates Z: 66 43.935 2.089 0.764 0.574 0.969 0.554 CA 1.421 66 residues pruned to eliminate duplicates Z: 49 36.781 2.030 0.672 0.656 0.938 0.562 CA 1.443 49 residues pruned to eliminate duplicates Z: 71 40.847 2.109 0.633 0.573 0.914 0.529 CA 1.445 71 residues pruned to eliminate duplicates Z: 37 24.305 1.917 0.594 0.625 0.889 0.611 CA 1.326 37 residues pruned to eliminate duplicates Z: 24 20.234 1.980 0.765 0.495 0.870 0.478 CA 1.395 24 residues pruned to eliminate duplicates Z: 74 42.966 2.091 0.691 0.584 0.932 0.603 CA 1.408 73 residues pruned to eliminate duplicates Z: 21 30.982 2.084 0.621 0.918 1.000 0.750 CA 1.445 21 residues pruned to eliminate duplicates Z: 62 40.278 2.082 0.758 0.544 0.885 0.541 CA 1.525 62 residues pruned to eliminate duplicates Z: 70 42.541 2.062 0.721 0.539 0.942 0.493 CA 1.475 70 residues pruned to eliminate duplicates Z: 29 29.574 2.100 0.774 0.715 0.929 0.536 CA 1.330 29 residues pruned to eliminate duplicates Z: 36 30.244 2.043 0.771 0.588 0.943 0.629 CA 1.377 36 residues pruned to eliminate duplicates Z: 71 39.762 2.110 0.584 0.599 0.914 0.671 CA 1.416 71 residues pruned to eliminate duplicates Z: 72 45.360 2.107 0.711 0.584 0.972 0.577 CA 1.417 73 residues pruned to eliminate duplicates Z: 20 29.875 2.138 0.776 0.885 0.895 0.632 CA 1.456 20 residues pruned to eliminate duplicates Z: 64 44.146 2.098 0.822 0.581 0.952 0.603 CA 1.414 64 residues pruned to eliminate duplicates Z: 45 33.966 2.066 0.635 0.706 0.932 0.659 CA 1.349 45 residues pruned to eliminate duplicates Z: 45 28.759 2.013 0.673 0.605 0.909 0.614 CA 1.282 45 residues pruned to eliminate duplicates Z: 34 30.227 2.080 0.818 0.640 0.909 0.545 CA 1.343 34 residues pruned to eliminate duplicates Z: 67 41.287 2.115 0.731 0.560 0.879 0.621 CA 1.490 67 residues pruned to eliminate duplicates Z: 59 40.086 2.121 0.705 0.605 0.879 0.500 CA 1.499 59 residues pruned to eliminate duplicates Z: 73 39.669 2.094 0.573 0.581 0.931 0.639 CA 1.411 73 residues pruned to eliminate duplicates Z: 42 34.427 2.070 0.641 0.693 0.976 0.610 CA 1.360 42 residues pruned to eliminate duplicates Z: 48 38.946 2.016 0.849 0.658 0.979 0.638 CA 1.344 48 residues pruned to eliminate duplicates Z: 34 35.989 2.112 0.725 0.736 0.939 0.545 CA 1.481 34 residues pruned to eliminate duplicates Z: 67 38.266 2.066 0.634 0.579 0.909 0.652 CA 1.422 67 residues pruned to eliminate duplicates Z: 71 42.095 2.102 0.652 0.618 0.900 0.671 CA 1.440 71 residues pruned to eliminate duplicates Z: 74 39.285 2.052 0.578 0.564 0.932 0.603 CA 1.433 74 residues pruned to eliminate duplicates Z: 65 42.116 2.092 0.685 0.611 0.906 0.609 CA 1.484 65 residues pruned to eliminate duplicates Z: 70 42.708 2.060 0.779 0.572 0.913 0.536 CA 1.433 70 residues pruned to eliminate duplicates Z: 61 40.893 2.078 0.771 0.608 0.917 0.600 CA 1.413 61 residues pruned to eliminate duplicates Z: 31 26.521 2.133 0.651 0.477 0.867 0.567 CA 1.625 31 residues pruned to eliminate duplicates Z: 8 10.747 1.992 0.996 0.437 0.857 0.429 CA 1.273 8 residues pruned to eliminate duplicates Z: 49 37.277 2.066 0.713 0.663 0.979 0.583 CA 1.335 49 residues pruned to eliminate duplicates Z: 46 33.604 2.115 0.668 0.497 0.911 0.489 CA 1.564 47 residues pruned to eliminate duplicates Z: 6 5.925 1.956 0.620 0.456 1.000 0.800 CA 0.874 6 residues pruned to eliminate duplicates Z: 66 41.257 2.087 0.750 0.565 0.908 0.615 CA 1.450 66 residues pruned to eliminate duplicates Z: 58 39.619 2.145 0.626 0.591 0.895 0.632 CA 1.541 58 residues pruned to eliminate duplicates Z: 67 41.527 2.093 0.724 0.564 0.909 0.530 CA 1.464 67 residues pruned to eliminate duplicates Z: 16 15.851 2.190 0.517 0.297 0.933 0.467 CA 1.655 16 residues pruned to eliminate duplicates Z: 24 17.730 2.130 0.675 0.309 0.826 0.478 CA 1.550 24 residues pruned to eliminate duplicates Z: 22 15.688 2.058 0.583 0.416 0.810 0.524 CA 1.418 22 residues pruned to eliminate duplicates Z: 69 34.808 2.049 0.625 0.559 0.882 0.574 CA 1.357 69 residues pruned to eliminate duplicates Z: 41 25.775 2.098 0.497 0.484 0.875 0.375 CA 1.507 41 residues pruned to eliminate duplicates Z: 16 16.501 2.165 0.601 0.384 0.867 0.600 CA 1.603 16 residues pruned to eliminate duplicates Z: 24 21.586 2.160 0.501 0.475 0.913 0.522 CA 1.559 23 residues pruned to eliminate duplicates Z: 6 3.067 1.669 0.285 0.206 1.000 0.800 CA 0.905 6 residues pruned to eliminate duplicates Z: 30 13.164 1.969 0.308 0.228 0.897 0.414 CA 1.454 30 residues pruned to eliminate duplicates Z: 35 29.053 2.131 0.744 0.501 0.912 0.559 CA 1.469 35 residues pruned to eliminate duplicates Z: 30 16.675 2.050 0.430 0.353 0.862 0.483 CA 1.436 30 residues pruned to eliminate duplicates Z: 70 43.003 2.118 0.642 0.608 0.899 0.623 CA 1.496 70 residues pruned to eliminate duplicates Z: 24 17.664 2.085 0.376 0.413 0.870 0.522 CA 1.618 24 residues pruned to eliminate duplicates Z: 27 19.059 2.060 0.442 0.439 0.846 0.500 CA 1.584 27 residues pruned to eliminate duplicates Z: 73 41.732 2.092 0.618 0.583 0.931 0.611 CA 1.442 73 residues pruned to eliminate duplicates Z: 26 20.062 2.045 0.484 0.418 0.920 0.520 CA 1.566 26 residues pruned to eliminate duplicates Z: 30 18.198 2.008 0.395 0.385 0.862 0.414 CA 1.582 30 residues pruned to eliminate duplicates Z: 8 2.519 1.240 0.545 0.527 0.714 0.429 CA 0.677 8 residues pruned to eliminate duplicates Z: 22 10.655 1.928 0.453 0.321 0.810 0.476 CA 1.249 22 residues pruned to eliminate duplicates Z: 21 11.970 1.978 0.525 0.311 0.850 0.550 CA 1.287 21 residues pruned to eliminate duplicates Z: 19 12.934 1.994 0.507 0.388 0.889 0.667 CA 1.284 19 residues pruned to eliminate duplicates Z: 20 11.415 1.893 0.461 0.317 0.895 0.632 CB 1.295 20 residues pruned to eliminate duplicates Z: 20 10.103 1.915 0.443 0.272 0.842 0.526 CA 1.289 20 residues pruned to eliminate duplicates Z: 19 13.298 1.997 0.381 0.332 1.000 0.611 CA 1.366 19 residues pruned to eliminate duplicates Z: 22 13.628 1.921 0.487 0.364 0.905 0.524 CA 1.332 22 residues pruned to eliminate duplicates Z: 24 11.000 1.931 0.354 0.299 0.913 0.609 CA 1.203 24 residues pruned to eliminate duplicates Z: 29 11.468 1.916 0.473 0.316 0.821 0.393 CA 1.146 29 residues pruned to eliminate duplicates Z: 6 3.417 1.701 -0.005 0.495 1.000 0.800 CB 0.907 Z: 22 11.903 1.962 0.415 0.290 0.952 0.524 CA 1.243 28 residues pruned to eliminate duplicates Z: 23 12.111 1.956 0.426 0.330 0.909 0.545 CA 1.227 23 residues pruned to eliminate duplicates Z: 28 10.639 1.835 0.456 0.352 0.815 0.444 CA 1.104 28 residues pruned to eliminate duplicates Z: 24 13.033 1.951 0.436 0.322 0.913 0.565 CA 1.292 24 residues pruned to eliminate duplicates Z: 22 13.185 2.008 0.501 0.317 0.952 0.619 CA 1.227 22 residues pruned to eliminate duplicates Z: 30 16.823 2.044 0.648 0.440 0.793 0.483 CB 1.244 30 residues pruned to eliminate duplicates Z: 30 19.461 2.020 0.620 0.480 0.862 0.621 CB 1.308 29 residues pruned to eliminate duplicates Z: 6 5.939 1.588 1.118 0.321 0.800 0.400 CA 1.202 6 residues pruned to eliminate duplicates Z: 46 22.857 2.023 0.583 0.403 0.911 0.467 CA 1.293 56 residues pruned to eliminate duplicates Z: 6 6.259 1.644 0.595 0.447 1.000 0.600 CB 1.127 6 residues pruned to eliminate duplicates Z: 27 21.934 2.109 0.693 0.500 0.885 0.538 CA 1.362 28 residues pruned to eliminate duplicates Z: 30 19.346 2.025 0.668 0.491 0.862 0.621 CB 1.244 30 residues pruned to eliminate duplicates Z: 24 21.074 2.135 0.682 0.508 0.870 0.522 CB 1.395 24 residues pruned to eliminate duplicates Z: 6 5.755 1.650 0.590 0.662 0.800 0.400 CA 1.055 6 residues pruned to eliminate duplicates Z: 25 22.129 2.073 0.711 0.508 0.958 0.542 CB 1.318 24 residues pruned to eliminate duplicates Z: 6 2.612 1.600 0.548 0.337 0.800 0.400 CA 0.704 6 residues pruned to eliminate duplicates Z: 29 22.139 2.034 0.723 0.510 0.964 0.536 CB 1.226 29 residues pruned to eliminate duplicates Z: 23 26.323 2.153 0.733 0.556 1.000 0.636 CA 1.424 24 residues pruned to eliminate duplicates Z: 29 22.095 2.049 0.693 0.460 0.964 0.536 CB 1.300 29 residues pruned to eliminate duplicates Z: 22 12.701 1.957 0.596 0.460 0.905 0.429 CA 1.022 22 residues pruned to eliminate duplicates Z: 13 9.819 1.904 0.405 0.423 0.833 0.583 CA 1.378 15 residues pruned to eliminate duplicates Z: 6 2.533 1.432 0.417 0.373 0.800 0.200 CA 0.800 6 residues pruned to eliminate duplicates Z: 27 14.087 2.044 0.292 0.267 0.846 0.462 CA 1.613 27 residues pruned to eliminate duplicates Z: 31 19.429 2.096 0.456 0.367 0.900 0.433 CB 1.490 30 residues pruned to eliminate duplicates Z: 6 5.873 1.918 0.621 0.268 1.000 0.400 CA 1.100 Z: 6 2.809 2.061 -0.066 0.287 0.600 0.600 CA 1.382 Z: 30 20.802 2.090 0.552 0.407 0.862 0.517 CB 1.523 36 residues pruned to eliminate duplicates Z: 7 7.448 1.650 0.595 0.500 1.000 0.667 CA 1.155 Z: 16 14.026 2.114 0.340 0.419 0.800 0.467 CA 1.739 24 residues pruned to eliminate duplicates Z: 31 18.455 2.091 0.376 0.392 0.833 0.600 CB 1.576 31 residues pruned to eliminate duplicates Z: 14 14.143 2.139 0.360 0.384 0.923 0.615 CB 1.652 14 residues pruned to eliminate duplicates Z: 15 13.342 2.155 0.402 0.344 0.857 0.429 CB 1.630 15 residues pruned to eliminate duplicates Z: 35 20.068 2.056 0.431 0.414 0.853 0.382 CB 1.500 45 residues pruned to eliminate duplicates Z: 42 14.738 1.917 0.353 0.264 0.854 0.463 CA 1.361 42 residues pruned to eliminate duplicates Z: 33 19.952 2.064 0.437 0.376 0.906 0.438 CB 1.497 33 residues pruned to eliminate duplicates Z: 48 19.529 2.078 0.428 0.316 0.809 0.468 CB 1.456 48 residues pruned to eliminate duplicates Z: 33 13.615 2.057 0.534 0.256 0.750 0.312 CB 1.344 33 residues pruned to eliminate duplicates Z: 48 18.673 2.048 0.412 0.323 0.830 0.362 CB 1.378 48 residues pruned to eliminate duplicates Z: 16 4.192 2.084 0.212 0.199 0.600 0.267 CB 1.022 16 residues pruned to eliminate duplicates Z: 15 7.710 2.153 0.654 0.175 0.714 0.357 CB 1.200 15 residues pruned to eliminate duplicates Z: 13 5.364 2.103 0.472 0.117 0.750 0.417 CB 1.080 13 residues pruned to eliminate duplicates Z: 13 6.177 2.183 0.284 0.130 0.833 0.250 CB 1.213 13 residues pruned to eliminate duplicates Z: 13 6.774 2.141 0.373 0.222 0.833 0.417 CB 1.106 13 residues pruned to eliminate duplicates Z: 19 6.849 1.900 0.067 0.270 0.889 0.444 CB 1.163 15 residues pruned to eliminate duplicates Z: 9 6.409 1.575 0.484 0.435 0.875 0.625 CA 1.185 9 residues pruned to eliminate duplicates Z: 8 2.613 2.107 0.158 0.104 0.571 0.286 CB 1.172 8 residues pruned to eliminate duplicates Z: 10 6.904 2.011 0.432 0.174 0.778 0.222 CB 1.524 10 residues pruned to eliminate duplicates Z: 7 4.627 1.663 0.132 0.483 0.667 0.667 N 1.531 7 residues pruned to eliminate duplicates Z: 20 15.337 1.963 0.422 0.444 0.895 0.632 N 1.493 30 residues pruned to eliminate duplicates Z: 18 12.332 1.907 0.501 0.375 0.824 0.647 N 1.450 18 residues pruned to eliminate duplicates Z: 23 25.215 2.125 0.421 0.710 0.909 0.727 CA 1.619 23 residues pruned to eliminate duplicates Z: 39 32.051 2.113 0.552 0.578 0.921 0.605 CB 1.597 39 residues pruned to eliminate duplicates Z: 36 32.467 2.079 0.588 0.608 0.943 0.657 CB 1.592 36 residues pruned to eliminate duplicates Z: 53 31.509 2.106 0.560 0.476 0.904 0.577 CB 1.506 53 residues pruned to eliminate duplicates Z: 28 31.154 2.071 0.688 0.666 0.963 0.630 CB 1.528 28 residues pruned to eliminate duplicates Z: 49 36.975 2.144 0.772 0.506 0.917 0.604 CB 1.523 49 residues pruned to eliminate duplicates Z: 28 25.916 2.018 0.578 0.677 0.889 0.741 CB 1.498 28 residues pruned to eliminate duplicates Z: 28 25.229 2.043 0.461 0.704 0.889 0.778 CB 1.520 28 residues pruned to eliminate duplicates Z: 28 20.526 2.063 0.555 0.565 0.815 0.556 CB 1.419 28 residues pruned to eliminate duplicates Z: 49 41.022 2.157 0.805 0.520 0.938 0.583 CB 1.590 49 residues pruned to eliminate duplicates Z: 22 19.417 2.061 0.633 0.723 0.857 0.667 CB 1.201 22 residues pruned to eliminate duplicates Z: 50 35.172 2.120 0.817 0.432 0.939 0.449 CB 1.490 50 residues pruned to eliminate duplicates Z: 29 31.016 2.016 0.654 0.735 0.964 0.857 CB 1.477 29 residues pruned to eliminate duplicates Z: 28 25.196 2.061 0.528 0.606 0.889 0.593 CB 1.565 28 residues pruned to eliminate duplicates Z: 45 37.045 2.195 0.896 0.483 0.909 0.636 CB 1.502 45 residues pruned to eliminate duplicates Z: 58 32.939 2.049 0.682 0.476 0.895 0.579 CB 1.451 58 residues pruned to eliminate duplicates Z: 25 29.147 2.135 0.805 0.610 0.875 0.750 CB 1.588 25 residues pruned to eliminate duplicates Z: 26 22.940 2.077 0.636 0.581 0.800 0.560 CB 1.560 26 residues pruned to eliminate duplicates Z: 29 26.746 2.037 0.724 0.566 0.893 0.536 CB 1.512 29 residues pruned to eliminate duplicates Z: 29 24.851 2.075 0.643 0.506 0.857 0.571 CB 1.598 29 residues pruned to eliminate duplicates Z: 34 20.339 1.964 0.527 0.484 0.909 0.394 CB 1.320 30 residues pruned to eliminate duplicates Z: 10 3.743 1.585 0.124 0.534 0.778 0.222 CB 0.870 10 residues pruned to eliminate duplicates Z: 16 12.158 2.069 0.765 0.250 0.867 0.600 CB 1.323 16 residues pruned to eliminate duplicates Z: 54 34.651 2.159 0.687 0.495 0.906 0.509 CB 1.450 67 residues pruned to eliminate duplicates Z: 8 8.349 1.715 1.023 0.345 1.000 0.429 CB 1.077 Z: 55 35.291 2.164 0.704 0.473 0.889 0.556 CB 1.506 63 residues pruned to eliminate duplicates Z: 7 5.016 1.914 0.842 0.297 1.000 0.167 CA 0.729 Z: 24 19.256 2.252 0.854 0.257 0.826 0.478 CA 1.538 31 residues pruned to eliminate duplicates Z: 48 36.604 2.190 0.754 0.419 0.936 0.596 CB 1.616 55 residues pruned to eliminate duplicates Z: 50 32.516 2.125 0.764 0.416 0.837 0.531 CB 1.617 50 residues pruned to eliminate duplicates Z: 22 17.371 2.179 0.631 0.401 0.762 0.524 CB 1.554 22 residues pruned to eliminate duplicates Z: 17 15.290 2.163 0.723 0.306 0.875 0.562 CB 1.455 17 residues pruned to eliminate duplicates Z: 20 16.507 2.251 0.847 0.316 0.789 0.579 CB 1.414 20 residues pruned to eliminate duplicates Z: 19 22.860 2.224 0.847 0.500 0.889 0.556 CB 1.476 12 residues pruned to eliminate duplicates Z: 6 5.980 1.970 0.726 0.176 0.800 0.600 CA 1.453 6 residues pruned to eliminate duplicates Z: 24 22.870 2.233 0.949 0.340 0.870 0.565 CB 1.500 24 residues pruned to eliminate duplicates Z: 27 27.533 2.235 0.871 0.442 0.923 0.538 CB 1.484 26 residues pruned to eliminate duplicates Z: 6 5.740 1.600 0.685 0.272 1.000 0.600 CA 1.233 Z: 28 23.160 2.169 0.931 0.418 0.889 0.630 CB 1.304 28 residues pruned to eliminate duplicates Z: 53 37.642 2.173 0.819 0.474 0.904 0.538 CB 1.500 53 residues pruned to eliminate duplicates Z: 27 26.503 2.225 1.063 0.375 0.885 0.538 CB 1.464 27 residues pruned to eliminate duplicates Z: 28 22.202 2.198 0.784 0.388 0.926 0.481 CB 1.326 28 residues pruned to eliminate duplicates Z: 13 8.402 1.878 0.355 0.479 0.833 0.417 CB 1.169 11 residues pruned to eliminate duplicates Z: 12 9.110 1.865 0.486 0.504 0.818 0.455 CB 1.207 12 residues pruned to eliminate duplicates Z: 12 9.609 1.832 0.563 0.526 0.909 0.364 CB 1.085 13 residues pruned to eliminate duplicates Z: 24 9.808 1.871 0.774 0.385 0.696 0.435 CB 1.001 12 residues pruned to eliminate duplicates Z: 7 5.474 1.731 0.566 0.518 1.000 0.833 CB 0.810 7 residues pruned to eliminate duplicates Z: 12 8.036 2.010 0.482 0.391 0.818 0.545 CB 1.116 12 residues pruned to eliminate duplicates Z: 12 8.291 1.997 0.605 0.430 0.727 0.545 CB 1.152 12 residues pruned to eliminate duplicates Z: 15 6.884 1.953 0.623 0.306 0.714 0.500 CB 1.008 17 residues pruned to eliminate duplicates Z: 7 3.846 1.691 0.172 0.494 0.833 0.667 CB 0.956 7 residues pruned to eliminate duplicates Z: 7 5.260 1.847 0.925 0.258 0.833 0.500 CB 0.956 6 residues pruned to eliminate duplicates Z: 7 8.644 2.040 0.622 0.411 1.000 0.667 CB 1.170 7 residues pruned to eliminate duplicates Z: 7 5.508 1.590 0.878 0.563 0.833 0.667 CB 0.850 5 residues pruned to eliminate duplicates Z: 6 2.566 1.611 0.776 0.412 0.800 0.600 CA 0.550 6 residues pruned to eliminate duplicates Z: 12 10.919 1.954 0.879 0.493 0.818 0.455 CB 1.103 12 residues pruned to eliminate duplicates Z: 13 10.270 1.931 0.652 0.510 0.750 0.417 CA 1.227 13 residues pruned to eliminate duplicates Z: 12 11.447 1.866 0.811 0.522 0.909 0.455 CA 1.100 12 residues pruned to eliminate duplicates Z: 18 11.210 2.021 0.464 0.487 0.765 0.471 CB 1.218 32 residues pruned to eliminate duplicates Z: 11 13.786 2.016 0.868 0.554 0.800 0.600 CA 1.373 Z: 8 4.653 1.494 0.976 0.319 0.714 0.286 C 1.018 8 residues pruned to eliminate duplicates Z: 63 45.428 2.250 0.614 0.558 0.919 0.484 CB 1.633 63 residues pruned to eliminate duplicates Z: 7 4.596 1.678 0.519 0.302 1.000 0.167 CA 0.919 7 residues pruned to eliminate duplicates Z: 32 24.513 2.137 0.697 0.353 0.871 0.548 CB 1.635 23 residues pruned to eliminate duplicates 6 0.833 1.203 0.613 0.317 0.800 0.600 CA 0.294 ? 6 1.839 1.704 0.045 0.182 0.600 0.200 CB 1.129 ? Z: 22 41.881 2.290 0.722 0.852 1.000 0.762 CA 1.714 22 residues pruned to eliminate duplicates Z: 67 43.583 2.222 0.563 0.562 0.955 0.576 CB 1.523 67 residues pruned to eliminate duplicates Z: 47 36.507 2.182 0.416 0.629 0.978 0.630 CB 1.578 47 residues pruned to eliminate duplicates Z: 63 45.676 2.258 0.644 0.531 0.935 0.532 CB 1.620 54 residues pruned to eliminate duplicates Z: 22 42.921 2.243 0.784 0.904 1.000 0.857 CB 1.667 22 residues pruned to eliminate duplicates Z: 53 33.326 2.156 0.425 0.579 0.885 0.577 CB 1.576 23 residues pruned to eliminate duplicates Z: 22 33.981 2.239 0.489 0.895 0.952 0.810 CA 1.674 22 residues pruned to eliminate duplicates Z: 60 40.139 2.261 0.525 0.559 0.898 0.542 CB 1.593 60 residues pruned to eliminate duplicates Z: 46 37.539 2.225 0.547 0.618 0.933 0.711 CB 1.558 46 residues pruned to eliminate duplicates Z: 58 42.237 2.238 0.695 0.581 0.912 0.596 CB 1.496 58 residues pruned to eliminate duplicates Z: 59 32.820 2.179 0.484 0.475 0.914 0.586 CB 1.496 31 residues pruned to eliminate duplicates Z: 62 45.218 2.243 0.571 0.546 0.951 0.541 CB 1.652 62 residues pruned to eliminate duplicates Z: 62 44.198 2.267 0.609 0.529 0.934 0.639 CB 1.614 57 residues pruned to eliminate duplicates Z: 21 47.270 2.290 0.858 0.903 1.000 0.600 CB 1.770 21 residues pruned to eliminate duplicates Z: 63 39.257 2.247 0.539 0.511 0.935 0.532 CB 1.524 63 residues pruned to eliminate duplicates Z: 63 44.075 2.226 0.559 0.563 0.935 0.565 CB 1.622 63 residues pruned to eliminate duplicates Z: 75 39.581 2.165 0.537 0.553 0.892 0.595 CB 1.472 75 residues pruned to eliminate duplicates Z: 64 39.801 2.163 0.650 0.558 0.873 0.540 CB 1.522 64 residues pruned to eliminate duplicates Z: 46 38.698 2.211 0.617 0.606 0.933 0.444 CB 1.564 46 residues pruned to eliminate duplicates Z: 47 38.288 2.226 0.694 0.534 0.913 0.500 CB 1.586 47 residues pruned to eliminate duplicates Z: 61 40.139 2.206 0.574 0.554 0.883 0.483 CB 1.603 61 residues pruned to eliminate duplicates Z: 46 25.381 2.103 0.555 0.402 0.911 0.444 CB 1.408 46 residues pruned to eliminate duplicates Z: 61 49.924 2.287 0.703 0.594 0.933 0.567 CB 1.620 61 residues pruned to eliminate duplicates Z: 63 42.945 2.217 0.599 0.546 0.919 0.597 CB 1.601 63 residues pruned to eliminate duplicates Z: 63 42.107 2.243 0.634 0.571 0.903 0.613 CB 1.508 63 residues pruned to eliminate duplicates Z: 63 41.014 2.219 0.559 0.564 0.903 0.661 CB 1.567 55 residues pruned to eliminate duplicates Z: 10 17.004 2.029 0.318 0.879 1.000 0.778 CB 1.537 8 residues pruned to eliminate duplicates Z: 11 16.540 1.913 0.412 0.858 0.900 0.700 CB 1.584 11 residues pruned to eliminate duplicates Z: 71 42.836 2.173 0.732 0.522 0.886 0.514 CB 1.502 84 residues pruned to eliminate duplicates Z: 10 17.710 2.101 0.446 0.775 1.000 0.444 CB 1.524 10 residues pruned to eliminate duplicates Z: 32 27.198 2.185 0.801 0.463 0.968 0.581 CB 1.332 32 residues pruned to eliminate duplicates Z: 49 38.609 2.158 0.661 0.581 0.917 0.417 CB 1.570 49 residues pruned to eliminate duplicates Z: 61 47.127 2.259 0.732 0.561 0.900 0.550 CB 1.628 57 residues pruned to eliminate duplicates Z: 12 12.272 2.118 0.439 0.636 0.727 0.364 CB 1.471 12 residues pruned to eliminate duplicates Z: 63 44.570 2.245 0.598 0.545 0.935 0.629 CB 1.614 63 residues pruned to eliminate duplicates Z: 63 44.207 2.239 0.664 0.541 0.903 0.597 CB 1.602 63 residues pruned to eliminate duplicates Z: 69 43.761 2.205 0.664 0.547 0.882 0.485 CB 1.565 69 residues pruned to eliminate duplicates Z: 31 18.082 2.171 0.640 0.403 0.767 0.300 CB 1.340 31 residues pruned to eliminate duplicates Z: 69 42.374 2.183 0.638 0.563 0.941 0.574 CB 1.436 69 residues pruned to eliminate duplicates Z: 71 40.601 2.147 0.656 0.548 0.886 0.500 CB 1.470 71 residues pruned to eliminate duplicates Z: 11 6.637 1.719 0.524 0.362 0.800 0.600 CA 1.161 8 residues pruned to eliminate duplicates 6 1.242 1.233 0.475 0.273 0.600 0.400 CA 0.659 ? Z: 6 5.044 1.685 0.861 0.312 0.800 0.600 N 1.108 6 residues pruned to eliminate duplicates Z: 17 9.978 1.905 0.645 0.283 0.688 0.438 CB 1.480 19 residues pruned to eliminate duplicates Z: 6 2.792 1.520 0.178 0.233 1.000 0.400 CA 0.952 6 residues pruned to eliminate duplicates Z: 15 9.789 1.955 0.646 0.299 0.786 0.571 CB 1.296 15 residues pruned to eliminate duplicates Z: 10 6.631 1.690 0.726 0.335 0.778 0.778 N 1.166 10 residues pruned to eliminate duplicates Z: 21 7.658 1.828 0.252 0.273 0.700 0.400 CB 1.382 21 residues pruned to eliminate duplicates Z: 35 16.860 1.934 0.525 0.337 0.824 0.471 CA 1.422 35 residues pruned to eliminate duplicates Z: 12 8.674 1.878 0.525 0.331 0.818 0.455 CB 1.343 12 residues pruned to eliminate duplicates Z: 37 14.695 1.825 0.402 0.300 0.889 0.500 CA 1.346 37 residues pruned to eliminate duplicates Z: 8 2.918 1.702 0.708 0.212 0.571 0.429 CA 0.933 8 residues pruned to eliminate duplicates Z: 25 15.242 1.967 0.489 0.384 0.833 0.583 CA 1.443 25 residues pruned to eliminate duplicates Z: 25 8.847 1.788 0.343 0.313 0.708 0.542 CA 1.305 25 residues pruned to eliminate duplicates Z: 25 14.745 1.946 0.540 0.356 0.833 0.583 CA 1.407 25 residues pruned to eliminate duplicates Z: 36 16.281 1.925 0.466 0.340 0.800 0.457 CA 1.450 36 residues pruned to eliminate duplicates Z: 25 14.903 1.940 0.549 0.344 0.833 0.583 CA 1.439 25 residues pruned to eliminate duplicates Z: 22 16.516 1.959 0.550 0.355 0.905 0.667 CA 1.535 22 residues pruned to eliminate duplicates Z: 44 15.855 1.902 0.443 0.313 0.791 0.558 CB 1.372 44 residues pruned to eliminate duplicates Z: 22 15.216 1.996 0.443 0.361 0.857 0.476 CA 1.561 22 residues pruned to eliminate duplicates Z: 25 16.952 1.966 0.584 0.342 0.875 0.500 CA 1.508 25 residues pruned to eliminate duplicates Z: 23 16.475 1.977 0.595 0.330 0.864 0.727 CA 1.553 23 residues pruned to eliminate duplicates Z: 26 14.250 1.874 0.501 0.354 0.840 0.640 CA 1.411 26 residues pruned to eliminate duplicates Z: 24 17.232 1.952 0.581 0.381 0.913 0.565 CB 1.447 24 residues pruned to eliminate duplicates Z: 21 18.195 1.981 0.743 0.388 0.900 0.650 CA 1.476 21 residues pruned to eliminate duplicates Z: 44 17.976 1.926 0.644 0.269 0.791 0.419 CA 1.425 43 residues pruned to eliminate duplicates 6 0.898 1.334 0.178 0.437 1.000 0.600 CB 0.273 ? Z: 6 3.477 1.742 0.265 0.233 0.800 0.400 CB 1.204 Z: 24 14.274 1.894 0.521 0.333 0.870 0.652 CB 1.427 30 residues pruned to eliminate duplicates Z: 35 15.645 1.903 0.462 0.289 0.853 0.412 CA 1.434 35 residues pruned to eliminate duplicates Z: 17 7.176 1.852 0.053 0.396 0.812 0.438 CA 1.264 17 residues pruned to eliminate duplicates Z: 25 16.975 1.964 0.566 0.330 0.875 0.625 CB 1.550 25 residues pruned to eliminate duplicates Z: 8 5.883 1.840 0.725 0.254 0.714 0.286 CA 1.300 8 residues pruned to eliminate duplicates Z: 39 28.283 2.060 0.662 0.556 0.921 0.553 CA 1.377 39 residues pruned to eliminate duplicates Z: 52 26.733 1.976 0.557 0.444 0.902 0.569 CA 1.429 52 residues pruned to eliminate duplicates Z: 41 21.702 2.001 0.592 0.464 0.800 0.600 CA 1.397 41 residues pruned to eliminate duplicates Z: 35 30.279 2.030 0.610 0.632 0.941 0.735 CA 1.492 21 residues pruned to eliminate duplicates Z: 7 4.338 1.587 0.605 0.404 0.833 0.500 CA 0.923 7 residues pruned to eliminate duplicates Z: 40 30.163 2.059 0.515 0.617 0.949 0.744 CA 1.461 40 residues pruned to eliminate duplicates Z: 33 29.674 2.053 0.688 0.611 0.938 0.719 CA 1.453 33 residues pruned to eliminate duplicates Z: 26 33.802 2.113 0.668 0.704 0.960 0.840 CA 1.659 26 residues pruned to eliminate duplicates Z: 32 28.278 2.055 0.488 0.674 0.935 0.742 CB 1.513 32 residues pruned to eliminate duplicates Z: 29 28.714 2.091 0.548 0.668 0.893 0.786 CB 1.607 29 residues pruned to eliminate duplicates Z: 73 40.042 1.962 0.544 0.619 0.958 0.667 CA 1.452 39 residues pruned to eliminate duplicates Z: 22 28.511 1.987 0.593 0.857 0.905 0.667 CB 1.602 22 residues pruned to eliminate duplicates Z: 33 27.092 2.014 0.514 0.613 0.938 0.688 CB 1.505 33 residues pruned to eliminate duplicates Z: 46 25.370 1.993 0.422 0.508 0.933 0.644 CA 1.418 46 residues pruned to eliminate duplicates Z: 35 23.094 1.963 0.467 0.581 0.882 0.794 CB 1.442 35 residues pruned to eliminate duplicates Z: 29 27.091 2.078 0.440 0.665 0.929 0.750 CA 1.581 29 residues pruned to eliminate duplicates Z: 30 25.747 2.045 0.481 0.644 0.966 0.724 CB 1.430 30 residues pruned to eliminate duplicates Z: 29 30.730 2.058 0.632 0.714 1.000 0.714 CB 1.424 29 residues pruned to eliminate duplicates Z: 44 30.785 2.012 0.702 0.576 0.860 0.651 CA 1.481 44 residues pruned to eliminate duplicates Z: 50 27.776 2.026 0.557 0.517 0.878 0.571 CA 1.410 50 residues pruned to eliminate duplicates Z: 24 34.579 2.169 0.619 0.751 1.000 0.783 CB 1.642 24 residues pruned to eliminate duplicates Z: 27 31.393 2.077 0.644 0.713 0.962 0.769 CA 1.545 27 residues pruned to eliminate duplicates Z: 51 29.540 2.017 0.643 0.527 0.860 0.560 CB 1.428 51 residues pruned to eliminate duplicates Z: 63 41.064 2.038 0.656 0.612 0.903 0.629 CB 1.539 63 residues pruned to eliminate duplicates Z: 57 31.748 1.975 0.723 0.527 0.839 0.482 CB 1.447 57 residues pruned to eliminate duplicates Z: 40 29.238 1.983 0.556 0.633 0.897 0.538 CB 1.493 40 residues pruned to eliminate duplicates Z: 64 48.862 2.065 0.733 0.639 0.952 0.651 CA 1.586 64 residues pruned to eliminate duplicates Z: 41 32.609 1.959 0.738 0.605 0.950 0.575 CB 1.442 41 residues pruned to eliminate duplicates Z: 50 43.089 2.033 0.841 0.684 0.939 0.510 CB 1.481 50 residues pruned to eliminate duplicates Z: 52 44.123 2.035 0.709 0.687 0.941 0.529 CB 1.590 52 residues pruned to eliminate duplicates Z: 28 18.479 1.877 0.547 0.559 0.852 0.556 CB 1.357 28 residues pruned to eliminate duplicates Z: 61 40.823 2.042 0.606 0.615 0.967 0.700 CA 1.491 61 residues pruned to eliminate duplicates Z: 52 36.695 2.029 0.754 0.649 0.882 0.569 CB 1.424 52 residues pruned to eliminate duplicates Z: 65 39.444 2.010 0.694 0.595 0.875 0.547 CB 1.512 65 residues pruned to eliminate duplicates Z: 62 45.760 2.052 0.717 0.632 0.934 0.590 CB 1.572 62 residues pruned to eliminate duplicates Z: 54 37.338 2.027 0.597 0.656 0.887 0.509 CB 1.546 54 residues pruned to eliminate duplicates Z: 27 21.224 1.866 0.761 0.586 0.885 0.577 CB 1.318 27 residues pruned to eliminate duplicates Z: 41 34.574 1.971 0.808 0.656 0.900 0.575 CB 1.473 41 residues pruned to eliminate duplicates Z: 64 46.242 2.009 0.771 0.601 0.984 0.571 CB 1.511 64 residues pruned to eliminate duplicates Z: 73 46.447 1.989 0.767 0.615 0.931 0.514 CB 1.502 73 residues pruned to eliminate duplicates Z: 35 26.478 1.958 0.779 0.512 0.882 0.588 CA 1.460 35 residues pruned to eliminate duplicates Z: 39 23.586 1.923 0.672 0.483 0.842 0.500 CA 1.438 39 residues pruned to eliminate duplicates Z: 45 28.804 1.985 0.706 0.574 0.818 0.455 CB 1.460 45 residues pruned to eliminate duplicates Z: 59 40.006 2.045 0.704 0.591 0.966 0.655 CA 1.431 59 residues pruned to eliminate duplicates Z: 62 46.143 2.064 0.732 0.638 0.934 0.590 CB 1.555 62 residues pruned to eliminate duplicates Z: 39 24.826 1.944 0.731 0.445 0.895 0.579 CB 1.415 39 residues pruned to eliminate duplicates Z: 65 39.115 2.004 0.722 0.593 0.859 0.500 CB 1.509 65 residues pruned to eliminate duplicates Z: 22 14.129 2.006 0.653 0.344 0.857 0.524 CA 1.286 22 residues pruned to eliminate duplicates Z: 30 19.204 1.928 0.516 0.479 0.931 0.552 CA 1.338 30 residues pruned to eliminate duplicates 6 0.977 1.531 0.459 0.371 1.000 0.400 CA 0.225 ? Z: 9 9.319 1.788 0.220 0.801 0.875 0.375 CA 1.327 9 residues pruned to eliminate duplicates Z: 12 7.454 1.659 0.387 0.587 0.727 0.364 CA 1.235 12 residues pruned to eliminate duplicates Z: 15 15.835 1.801 0.634 0.624 0.857 0.571 CB 1.492 15 residues pruned to eliminate duplicates Z: 14 13.223 1.720 0.576 0.709 0.846 0.538 CA 1.323 14 residues pruned to eliminate duplicates Z: 14 12.946 1.843 0.535 0.717 0.769 0.462 CB 1.355 14 residues pruned to eliminate duplicates Z: 6 5.610 1.609 0.401 0.611 0.800 0.600 CB 1.252 6 residues pruned to eliminate duplicates Z: 15 14.761 1.903 0.462 0.486 0.929 0.500 CA 1.549 15 residues pruned to eliminate duplicates Z: 14 11.266 1.876 0.249 0.512 0.923 0.538 CA 1.427 14 residues pruned to eliminate duplicates Z: 31 10.647 1.690 0.217 0.350 0.867 0.367 CB 1.283 31 residues pruned to eliminate duplicates Z: 19 11.314 1.751 0.489 0.384 0.833 0.444 CB 1.389 19 residues pruned to eliminate duplicates Z: 22 10.754 1.790 0.338 0.380 0.857 0.571 CB 1.298 22 residues pruned to eliminate duplicates Z: 18 10.542 1.882 0.309 0.430 0.765 0.588 N 1.459 18 residues pruned to eliminate duplicates Z: 20 10.324 1.810 0.195 0.435 0.842 0.421 N 1.391 20 residues pruned to eliminate duplicates Z: 19 10.997 1.746 0.277 0.408 0.889 0.500 N 1.440 19 residues pruned to eliminate duplicates Z: 16 12.185 1.897 0.407 0.423 0.933 0.467 CA 1.368 16 residues pruned to eliminate duplicates Z: 16 10.280 1.835 0.113 0.474 1.000 0.533 CA 1.334 16 residues pruned to eliminate duplicates Z: 16 10.248 1.805 0.307 0.395 0.933 0.467 N 1.342 16 residues pruned to eliminate duplicates Z: 28 12.389 1.874 0.303 0.367 0.852 0.519 CA 1.323 28 residues pruned to eliminate duplicates Z: 18 11.559 1.897 0.418 0.406 0.824 0.529 CA 1.396 18 residues pruned to eliminate duplicates Z: 31 11.747 1.853 0.352 0.336 0.833 0.433 CB 1.228 31 residues pruned to eliminate duplicates Z: 13 5.698 1.883 0.317 0.348 0.750 0.583 CB 1.043 13 residues pruned to eliminate duplicates Z: 13 4.134 1.854 0.301 0.272 0.667 0.417 CB 0.961 13 residues pruned to eliminate duplicates Z: 30 11.897 1.869 0.307 0.354 0.793 0.517 CA 1.336 30 residues pruned to eliminate duplicates Z: 16 4.833 1.843 0.154 0.355 0.733 0.467 CB 0.937 16 residues pruned to eliminate duplicates Z: 27 11.460 1.862 0.411 0.324 0.808 0.462 CB 1.285 27 residues pruned to eliminate duplicates Z: 30 10.843 1.810 0.302 0.365 0.793 0.552 CB 1.246 30 residues pruned to eliminate duplicates Z: 8 3.879 1.821 0.270 0.458 0.714 0.714 CB 0.926 8 residues pruned to eliminate duplicates Z: 9 4.720 1.809 -0.050 0.486 0.875 0.500 CB 1.126 9 residues pruned to eliminate duplicates Z: 8 4.382 1.869 0.135 0.425 0.714 0.714 CA 1.182 8 residues pruned to eliminate duplicates Z: 33 10.990 1.894 0.358 0.309 0.719 0.375 CB 1.299 33 residues pruned to eliminate duplicates Z: 27 12.764 1.945 0.296 0.425 0.769 0.500 CB 1.395 27 residues pruned to eliminate duplicates Z: 13 9.971 1.840 0.341 0.506 0.917 0.500 CA 1.266 13 residues pruned to eliminate duplicates Z: 28 12.905 1.909 0.367 0.398 0.815 0.481 CB 1.301 28 residues pruned to eliminate duplicates Z: 27 11.854 1.855 0.319 0.390 0.808 0.423 CB 1.322 27 residues pruned to eliminate duplicates Z: 22 12.081 1.930 0.448 0.376 0.857 0.381 CB 1.256 22 residues pruned to eliminate duplicates Z: 7 3.085 1.609 0.950 0.340 0.833 0.333 CB 0.574 7 residues pruned to eliminate duplicates Z: 37 10.703 1.858 0.376 0.322 0.750 0.500 CB 1.131 37 residues pruned to eliminate duplicates Z: 13 11.956 2.070 0.453 0.505 0.917 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 31 13.531 1.917 0.386 0.401 0.867 0.567 CB 1.192 31 residues pruned to eliminate duplicates Z: 15 10.540 1.946 0.467 0.432 0.857 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 14 10.128 2.023 0.333 0.440 0.846 0.615 CB 1.310 14 residues pruned to eliminate duplicates Z: 16 11.118 1.926 0.460 0.458 0.867 0.600 CB 1.230 16 residues pruned to eliminate duplicates Z: 25 10.202 1.810 0.414 0.393 0.875 0.458 CB 1.042 25 residues pruned to eliminate duplicates Z: 27 11.925 1.873 0.411 0.373 0.808 0.500 CB 1.254 27 residues pruned to eliminate duplicates 607 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 8 D: 9 E: 8 F: 42 G: 8 H: 14 I: 12 J: 8 K: 81 L: 50 M: 9 N: 33 O: 46 P: 7 Q: 24 R: 11 S: 61 T: 44 U: 62 V: 8 W: 47 CC for partial structure against native data = 22.73 % ------------------------------------------------------------------------------ Global autotracing cycle 15 = 0.300, Contrast = 0.394, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.527, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.548, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.559, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6676 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1284 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 18.311 1.963 0.252 0.877 1.000 0.882 CB 1.312 B: 21 20.164 2.164 0.991 0.292 0.850 0.550 CA 1.554 C: 9 15.009 2.125 0.339 0.892 0.875 0.875 CA 1.531 D: 25 17.388 2.085 0.814 0.251 0.875 0.375 CA 1.427 27 residues pruned to eliminate duplicates E: 12 24.662 2.162 0.897 0.853 0.909 0.455 CA 1.474 F: 10 11.494 1.896 0.518 0.555 0.889 0.778 CB 1.420 G: 22 39.072 2.260 0.586 0.909 1.000 0.857 CA 1.688 13 residues pruned to eliminate duplicates H: 32 23.006 2.084 0.760 0.466 0.839 0.581 CB 1.391 I: 9 12.447 2.078 0.331 0.855 0.875 0.750 CB 1.341 3 residues pruned to eliminate duplicates J: 12 22.169 2.165 0.690 0.767 0.909 0.455 CB 1.586 12 residues pruned to eliminate duplicates K: 15 24.815 2.134 0.386 0.897 1.000 0.786 CA 1.605 L: 11 23.463 2.210 0.477 0.862 1.000 0.800 CA 1.669 11 residues pruned to eliminate duplicates M: 59 47.084 2.245 0.740 0.579 0.931 0.500 CB 1.576 51 residues pruned to eliminate duplicates N: 18 19.864 2.238 0.901 0.358 0.882 0.588 CB 1.495 18 residues pruned to eliminate duplicates O: 18 19.413 2.052 0.373 0.894 0.941 0.765 CB 1.274 18 residues pruned to eliminate duplicates P: 22 35.710 2.237 0.654 0.915 0.952 0.810 CB 1.563 22 residues pruned to eliminate duplicates Q: 15 11.237 2.067 0.242 0.430 0.857 0.714 CB 1.467 R: 16 24.336 2.147 0.740 0.893 1.000 0.667 CB 1.208 18 residues pruned to eliminate duplicates S: 10 17.336 2.408 0.340 0.887 0.889 0.778 CB 1.452 10 residues pruned to eliminate duplicates T: 8 5.884 1.952 0.805 0.386 0.714 0.571 CB 0.997 U: 6 6.534 1.803 0.704 0.734 0.800 0.800 CA 0.963 V: 6 7.282 1.818 0.194 0.848 0.800 0.800 CB 1.391 W: 18 8.948 1.947 0.233 0.343 0.824 0.412 CB 1.302 18 residues pruned to eliminate duplicates X: 16 14.666 1.996 0.297 0.872 0.933 0.867 CB 1.142 16 residues pruned to eliminate duplicates Y: 10 12.776 2.053 0.429 0.837 0.889 0.667 CB 1.221 10 residues pruned to eliminate duplicates Z: 12 18.546 1.968 0.751 0.904 0.909 0.636 CA 1.271 12 residues pruned to eliminate duplicates Z: 20 25.883 2.052 0.398 0.925 1.000 0.789 CA 1.452 16 residues pruned to eliminate duplicates Z: 10 15.500 1.760 0.709 0.769 1.000 0.667 CA 1.353 Z: 24 9.255 2.121 0.249 0.356 0.652 0.348 CB 1.304 12 residues pruned to eliminate duplicates Z: 19 20.849 1.895 0.368 0.872 1.000 0.889 CB 1.382 Z: 8 7.862 1.708 0.556 0.694 0.857 0.429 N 1.093 8 residues pruned to eliminate duplicates Z: 19 25.926 2.062 0.582 0.903 0.944 0.722 CA 1.414 19 residues pruned to eliminate duplicates Z: 8 9.928 1.906 0.471 0.633 0.857 0.714 CA 1.378 Z: 14 9.340 2.195 0.186 0.399 0.769 0.692 CB 1.439 14 residues pruned to eliminate duplicates Z: 7 15.233 2.058 0.631 0.755 1.000 0.500 CB 1.476 8 residues pruned to eliminate duplicates Z: 12 20.799 2.189 0.397 0.869 1.000 0.636 CB 1.498 12 residues pruned to eliminate duplicates Z: 7 6.986 1.954 0.738 0.402 0.667 0.500 CA 1.397 7 residues pruned to eliminate duplicates Z: 16 27.481 2.030 0.534 0.911 1.000 0.800 CB 1.615 19 residues pruned to eliminate duplicates Z: 7 12.502 1.970 0.656 0.698 1.000 0.667 CB 1.306 7 residues pruned to eliminate duplicates Z: 11 25.704 2.381 0.597 0.877 1.000 0.800 CB 1.552 12 residues pruned to eliminate duplicates Z: 11 11.353 1.863 0.575 0.558 0.800 0.600 CB 1.445 Z: 53 26.267 1.968 0.487 0.447 0.885 0.558 CA 1.487 24 residues pruned to eliminate duplicates Z: 12 8.125 1.769 0.677 0.342 0.909 0.545 CA 1.079 Z: 16 19.276 1.980 0.136 0.893 1.000 1.000 CA 1.588 16 residues pruned to eliminate duplicates Z: 6 9.449 1.495 0.883 0.840 1.000 1.000 C 1.120 Z: 20 30.037 2.101 0.615 0.905 0.947 0.842 CA 1.525 19 residues pruned to eliminate duplicates Z: 16 20.533 2.006 0.270 0.921 1.000 0.667 CB 1.465 16 residues pruned to eliminate duplicates Z: 20 18.653 2.255 0.973 0.276 0.789 0.368 CB 1.570 20 residues pruned to eliminate duplicates Z: 13 12.084 1.988 0.280 0.499 0.917 0.667 CA 1.497 Z: 23 34.919 2.205 0.671 0.879 0.909 0.818 CB 1.612 23 residues pruned to eliminate duplicates Z: 18 23.238 1.953 0.518 0.844 0.882 0.824 CB 1.603 18 residues pruned to eliminate duplicates Z: 26 13.232 1.903 0.448 0.374 0.800 0.440 CA 1.374 Z: 20 45.537 2.362 0.689 0.925 1.000 0.684 CB 1.838 20 residues pruned to eliminate duplicates Z: 22 41.642 2.225 0.851 0.909 0.952 0.714 CB 1.644 22 residues pruned to eliminate duplicates Z: 50 18.252 1.901 0.439 0.403 0.816 0.633 CB 1.292 32 residues pruned to eliminate duplicates Z: 10 9.778 1.725 0.096 0.851 0.889 0.556 CA 1.435 10 residues pruned to eliminate duplicates Z: 11 17.433 2.106 1.037 0.494 0.900 0.700 CA 1.437 11 residues pruned to eliminate duplicates Z: 8 18.553 2.198 0.698 0.809 1.000 0.714 CA 1.435 10 residues pruned to eliminate duplicates Z: 22 15.897 1.903 0.482 0.352 1.000 0.571 CA 1.444 Z: 20 30.514 2.087 0.678 0.893 1.000 0.684 CA 1.435 19 residues pruned to eliminate duplicates Z: 20 46.426 2.365 0.764 0.926 1.000 0.632 CB 1.790 20 residues pruned to eliminate duplicates Z: 21 49.015 2.367 0.808 0.929 1.000 0.900 CB 1.792 21 residues pruned to eliminate duplicates Z: 8 18.255 2.234 0.611 0.800 1.000 0.714 CA 1.475 8 residues pruned to eliminate duplicates Z: 11 15.301 2.315 0.139 0.883 1.000 0.900 CB 1.327 11 residues pruned to eliminate duplicates Z: 21 42.170 2.297 0.923 0.907 0.900 0.250 CB 1.685 21 residues pruned to eliminate duplicates Z: 10 11.806 1.876 0.621 0.703 1.000 0.556 CB 1.076 9 residues pruned to eliminate duplicates Z: 39 23.529 1.932 0.597 0.597 0.868 0.553 CB 1.300 39 residues pruned to eliminate duplicates Z: 16 24.486 2.031 0.472 0.918 1.000 0.800 CB 1.492 16 residues pruned to eliminate duplicates Z: 10 6.939 2.004 0.358 0.403 0.778 0.556 CB 1.210 Z: 8 11.936 1.949 0.068 0.846 1.000 0.429 CB 1.610 7 residues pruned to eliminate duplicates Z: 9 15.122 2.167 0.622 0.837 0.875 0.625 CB 1.300 9 residues pruned to eliminate duplicates Z: 37 19.267 1.912 0.576 0.341 0.917 0.556 CB 1.382 Z: 19 19.871 2.054 0.272 0.916 0.944 0.833 CA 1.340 19 residues pruned to eliminate duplicates Z: 9 4.863 1.592 0.223 0.575 0.750 0.500 CB 1.096 Z: 23 29.950 2.142 0.513 0.876 0.955 0.818 CB 1.499 23 residues pruned to eliminate duplicates Z: 48 39.274 2.189 0.840 0.465 0.915 0.596 CB 1.611 34 residues pruned to eliminate duplicates Z: 9 10.456 1.851 0.453 0.553 0.875 0.750 CA 1.491 10 residues pruned to eliminate duplicates Z: 9 13.229 1.869 0.261 0.865 1.000 0.625 CA 1.454 9 residues pruned to eliminate duplicates Z: 37 22.314 2.043 0.453 0.453 0.889 0.472 CA 1.478 28 residues pruned to eliminate duplicates Z: 9 9.862 1.653 0.572 0.828 0.875 0.750 CA 1.154 6 residues pruned to eliminate duplicates Z: 13 15.505 1.999 0.516 0.855 0.917 0.750 CA 1.189 13 residues pruned to eliminate duplicates Z: 69 40.335 2.093 0.679 0.530 0.941 0.471 CA 1.435 57 residues pruned to eliminate duplicates Z: 15 19.410 2.117 0.061 0.907 1.000 0.857 CB 1.642 15 residues pruned to eliminate duplicates Z: 29 29.697 2.050 0.637 0.690 0.929 0.821 CB 1.513 29 residues pruned to eliminate duplicates Z: 10 10.495 1.759 0.200 0.793 1.000 0.556 CA 1.282 10 residues pruned to eliminate duplicates Z: 19 26.546 2.104 0.488 0.888 0.944 0.611 CA 1.525 19 residues pruned to eliminate duplicates Z: 19 9.245 1.961 0.291 0.336 0.667 0.444 CB 1.544 19 residues pruned to eliminate duplicates Z: 36 20.499 1.900 0.774 0.438 0.829 0.429 CB 1.323 22 residues pruned to eliminate duplicates Z: 31 14.261 2.029 0.306 0.392 0.767 0.433 CB 1.438 15 residues pruned to eliminate duplicates Z: 29 18.133 2.023 0.750 0.478 0.821 0.607 CB 1.205 8 residues pruned to eliminate duplicates Z: 19 25.141 2.021 0.795 0.906 0.944 0.889 CB 1.231 19 residues pruned to eliminate duplicates Z: 15 8.956 1.746 0.374 0.462 0.857 0.571 CB 1.211 15 residues pruned to eliminate duplicates Z: 49 21.501 2.014 0.505 0.414 0.854 0.562 CA 1.311 29 residues pruned to eliminate duplicates Z: 8 3.626 1.792 0.034 0.492 0.571 0.286 N 1.305 8 residues pruned to eliminate duplicates Z: 13 11.027 1.866 0.342 0.478 0.917 0.500 CA 1.418 13 residues pruned to eliminate duplicates Z: 31 21.214 2.142 0.674 0.399 0.833 0.533 CB 1.442 31 residues pruned to eliminate duplicates Z: 10 16.178 1.876 0.564 0.754 1.000 0.667 CA 1.466 9 residues pruned to eliminate duplicates Z: 19 14.737 2.027 1.020 0.263 0.778 0.444 CB 1.430 19 residues pruned to eliminate duplicates Z: 21 41.300 2.172 0.882 0.912 0.950 0.650 CB 1.685 21 residues pruned to eliminate duplicates Z: 10 12.596 1.997 0.466 0.513 1.000 0.667 CB 1.416 10 residues pruned to eliminate duplicates Z: 9 21.251 2.107 0.703 0.887 1.000 0.750 CA 1.509 9 residues pruned to eliminate duplicates Z: 13 11.147 1.886 0.404 0.454 0.917 0.667 CA 1.390 14 residues pruned to eliminate duplicates Z: 26 11.370 1.847 0.504 0.398 0.800 0.480 CB 1.140 Z: 8 6.220 1.745 0.370 0.293 1.000 0.429 N 1.240 6 residues pruned to eliminate duplicates Z: 27 18.570 2.071 0.426 0.436 0.885 0.615 CA 1.489 24 residues pruned to eliminate duplicates Z: 26 20.995 2.125 0.581 0.440 0.880 0.480 CA 1.511 26 residues pruned to eliminate duplicates Z: 24 43.024 2.148 0.902 0.901 1.000 0.696 CB 1.568 24 residues pruned to eliminate duplicates Z: 21 44.576 2.358 0.762 0.924 0.950 0.650 CB 1.774 21 residues pruned to eliminate duplicates Z: 10 12.860 1.684 0.395 0.829 1.000 0.667 CA 1.374 10 residues pruned to eliminate duplicates Z: 25 15.509 2.145 0.761 0.251 0.792 0.417 CA 1.410 25 residues pruned to eliminate duplicates Z: 8 4.886 1.646 0.485 0.348 0.857 0.714 CB 1.040 8 residues pruned to eliminate duplicates Z: 8 7.560 1.751 0.646 0.683 0.714 0.571 CA 1.173 9 residues pruned to eliminate duplicates Z: 63 38.657 2.242 0.464 0.534 0.919 0.565 CB 1.573 44 residues pruned to eliminate duplicates Z: 20 26.863 2.061 0.603 0.903 0.947 0.579 CB 1.404 15 residues pruned to eliminate duplicates Z: 8 12.774 2.000 0.609 0.673 0.857 0.714 CB 1.493 8 residues pruned to eliminate duplicates Z: 16 12.302 1.864 0.627 0.442 0.800 0.600 CB 1.391 12 residues pruned to eliminate duplicates Z: 8 7.750 1.705 0.337 0.710 1.000 1.000 CA 1.062 6 residues pruned to eliminate duplicates Z: 21 42.479 2.302 0.788 0.852 0.950 0.650 CB 1.798 21 residues pruned to eliminate duplicates Z: 20 20.574 2.079 0.434 0.857 0.842 0.632 CA 1.386 20 residues pruned to eliminate duplicates Z: 19 15.464 1.922 0.710 0.365 0.889 0.722 CA 1.442 19 residues pruned to eliminate duplicates Z: 7 7.450 1.751 0.267 0.771 1.000 0.667 CA 1.079 7 residues pruned to eliminate duplicates Z: 18 28.344 2.145 0.729 0.881 0.882 0.647 CA 1.522 18 residues pruned to eliminate duplicates Z: 10 5.794 1.713 0.097 0.619 1.000 0.778 CB 0.918 Z: 23 40.401 2.177 0.881 0.905 0.955 0.500 CB 1.569 23 residues pruned to eliminate duplicates Z: 29 11.987 1.864 0.359 0.372 0.821 0.464 CA 1.249 26 residues pruned to eliminate duplicates Z: 10 7.072 1.917 0.213 0.408 0.778 0.556 CB 1.435 10 residues pruned to eliminate duplicates Z: 12 17.404 1.758 0.600 0.830 1.000 0.545 CA 1.402 12 residues pruned to eliminate duplicates Z: 6 5.635 1.643 0.512 0.607 0.800 0.200 CB 1.146 Z: 7 9.683 1.805 0.321 0.891 1.000 0.833 CA 1.192 7 residues pruned to eliminate duplicates Z: 17 11.072 1.711 0.708 0.459 0.812 0.562 CB 1.216 20 residues pruned to eliminate duplicates Z: 13 12.392 1.886 0.317 0.526 0.917 0.667 CA 1.532 13 residues pruned to eliminate duplicates Z: 23 21.145 1.900 0.633 0.842 0.864 0.545 CB 1.253 22 residues pruned to eliminate duplicates Z: 50 22.253 2.010 0.441 0.419 0.918 0.592 CB 1.300 50 residues pruned to eliminate duplicates Z: 15 5.009 1.821 0.362 0.347 0.786 0.500 CB 0.811 15 residues pruned to eliminate duplicates Z: 13 8.332 1.897 0.368 0.439 0.833 0.583 CB 1.185 12 residues pruned to eliminate duplicates Z: 13 14.294 1.894 0.943 0.583 0.917 0.500 CB 1.130 13 residues pruned to eliminate duplicates Z: 17 8.334 1.807 0.339 0.338 0.750 0.562 CA 1.370 17 residues pruned to eliminate duplicates Z: 9 21.598 1.942 1.031 0.910 1.000 0.750 CA 1.373 9 residues pruned to eliminate duplicates Z: 30 13.919 2.018 0.823 0.295 0.690 0.517 CB 1.281 30 residues pruned to eliminate duplicates Z: 10 12.709 1.740 0.381 0.839 0.889 0.667 CA 1.481 Z: 13 7.231 1.814 0.178 0.471 0.917 0.833 CB 1.097 13 residues pruned to eliminate duplicates Z: 23 11.073 1.868 0.459 0.402 0.818 0.545 CB 1.173 23 residues pruned to eliminate duplicates Z: 12 9.271 1.693 0.567 0.589 0.727 0.727 CA 1.330 12 residues pruned to eliminate duplicates Z: 11 4.329 1.659 0.322 0.363 0.700 0.600 CB 1.034 11 residues pruned to eliminate duplicates Z: 7 12.091 1.795 0.410 0.812 1.000 0.833 CB 1.487 7 residues pruned to eliminate duplicates Z: 28 27.729 2.045 0.567 0.663 0.926 0.741 CA 1.546 28 residues pruned to eliminate duplicates Z: 45 35.064 2.180 0.534 0.605 0.932 0.659 CB 1.534 45 residues pruned to eliminate duplicates Z: 17 12.399 2.003 0.490 0.379 0.812 0.625 CA 1.453 17 residues pruned to eliminate duplicates Z: 9 19.465 2.077 0.820 0.781 1.000 0.750 CB 1.421 10 residues pruned to eliminate duplicates Z: 12 15.957 2.038 0.540 0.658 1.000 0.545 CB 1.324 Z: 12 22.375 2.094 0.782 0.916 1.000 0.545 CA 1.277 12 residues pruned to eliminate duplicates Z: 8 2.006 1.531 0.222 0.227 0.571 0.429 CB 0.975 6 residues pruned to eliminate duplicates Z: 10 10.292 2.085 0.247 0.850 0.778 0.778 CB 1.257 10 residues pruned to eliminate duplicates Z: 51 37.337 1.978 0.761 0.649 0.920 0.600 CB 1.434 32 residues pruned to eliminate duplicates Z: 10 10.303 1.668 0.206 0.835 1.000 0.444 CB 1.278 10 residues pruned to eliminate duplicates Z: 17 29.767 2.004 0.607 0.923 1.000 0.875 CB 1.624 17 residues pruned to eliminate duplicates Z: 20 30.411 2.071 0.608 0.907 1.000 0.789 CA 1.489 20 residues pruned to eliminate duplicates Z: 62 38.885 2.095 0.610 0.565 0.934 0.541 CA 1.483 62 residues pruned to eliminate duplicates Z: 17 16.158 2.119 0.651 0.628 0.875 0.688 CB 1.170 11 residues pruned to eliminate duplicates Z: 36 23.568 2.063 0.594 0.485 0.857 0.371 CA 1.435 36 residues pruned to eliminate duplicates Z: 6 6.318 1.767 0.889 0.434 0.800 0.400 CB 1.133 Z: 29 12.333 1.883 0.375 0.362 0.750 0.536 CB 1.392 21 residues pruned to eliminate duplicates Z: 26 19.456 2.001 0.326 0.609 0.960 0.800 CA 1.378 26 residues pruned to eliminate duplicates Z: 19 34.034 2.120 0.840 0.900 1.000 0.389 CA 1.469 19 residues pruned to eliminate duplicates Z: 12 21.967 2.006 0.917 0.881 0.909 0.545 CA 1.372 12 residues pruned to eliminate duplicates Z: 7 7.312 1.482 0.430 0.802 0.833 0.667 N 1.299 7 residues pruned to eliminate duplicates Z: 9 13.059 1.825 1.114 0.813 0.875 0.625 CB 1.041 9 residues pruned to eliminate duplicates Z: 7 3.027 1.785 0.099 0.517 1.000 0.500 CB 0.619 Z: 17 17.953 1.943 0.354 0.886 0.875 0.625 CB 1.407 17 residues pruned to eliminate duplicates Z: 8 6.265 1.495 0.069 0.818 1.000 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 6 4.397 1.505 0.198 0.682 0.800 0.600 N 1.153 6 residues pruned to eliminate duplicates Z: 12 26.050 2.242 1.169 0.897 0.909 0.636 CB 1.272 12 residues pruned to eliminate duplicates Z: 13 10.423 2.005 0.369 0.339 1.000 0.917 CB 1.306 13 residues pruned to eliminate duplicates Z: 8 9.581 1.742 0.163 0.900 1.000 0.714 CA 1.277 8 residues pruned to eliminate duplicates Z: 10 12.549 1.757 0.395 0.797 1.000 0.556 CB 1.317 10 residues pruned to eliminate duplicates Z: 21 23.159 1.951 0.350 0.928 0.900 0.850 CB 1.530 21 residues pruned to eliminate duplicates Z: 61 36.225 2.013 0.601 0.565 0.883 0.583 CA 1.542 48 residues pruned to eliminate duplicates Z: 7 3.412 1.645 -0.291 0.451 1.000 0.333 CB 1.256 7 residues pruned to eliminate duplicates Z: 11 21.419 1.810 0.914 0.933 1.000 0.700 CA 1.364 11 residues pruned to eliminate duplicates Z: 22 30.227 1.903 0.743 0.905 1.000 0.619 CB 1.415 22 residues pruned to eliminate duplicates Z: 10 8.855 1.660 0.152 0.836 0.889 0.667 CB 1.299 10 residues pruned to eliminate duplicates Z: 17 30.168 2.018 0.759 0.925 1.000 0.688 CB 1.491 17 residues pruned to eliminate duplicates Z: 11 22.308 1.977 0.823 0.873 0.900 0.400 CA 1.584 11 residues pruned to eliminate duplicates Z: 22 45.932 2.259 0.928 0.908 1.000 0.762 CB 1.634 22 residues pruned to eliminate duplicates Z: 8 11.500 1.769 0.631 0.852 1.000 0.714 CB 1.114 8 residues pruned to eliminate duplicates Z: 20 27.977 2.094 0.723 0.876 0.842 0.579 CA 1.535 20 residues pruned to eliminate duplicates Z: 32 19.589 1.990 0.612 0.437 0.935 0.516 CB 1.252 32 residues pruned to eliminate duplicates Z: 7 3.144 1.914 -0.099 0.453 0.667 0.500 CA 1.172 7 residues pruned to eliminate duplicates Z: 28 17.928 1.876 0.472 0.561 0.926 0.593 CB 1.271 40 residues pruned to eliminate duplicates Z: 8 2.995 1.603 0.177 0.304 0.714 0.571 N 1.045 8 residues pruned to eliminate duplicates Z: 55 37.817 2.083 0.728 0.618 0.889 0.519 CA 1.439 60 residues pruned to eliminate duplicates Z: 14 7.964 2.074 0.380 0.337 0.769 0.462 CB 1.198 13 residues pruned to eliminate duplicates Z: 47 30.963 2.069 0.552 0.497 0.957 0.674 CA 1.491 47 residues pruned to eliminate duplicates Z: 11 13.838 1.870 0.524 0.641 0.800 0.800 CB 1.683 11 residues pruned to eliminate duplicates Z: 7 7.289 1.785 0.219 0.518 1.000 0.667 CA 1.344 Z: 50 23.527 1.980 0.554 0.436 0.878 0.469 CB 1.330 50 residues pruned to eliminate duplicates Z: 6 8.009 1.793 0.356 0.657 1.000 1.000 CB 1.273 5 residues pruned to eliminate duplicates Z: 20 28.953 2.003 0.742 0.906 0.895 0.526 CB 1.514 20 residues pruned to eliminate duplicates Z: 63 40.033 2.218 0.540 0.575 0.919 0.613 CB 1.505 63 residues pruned to eliminate duplicates Z: 11 6.523 1.877 0.287 0.425 0.800 0.800 CB 1.154 11 residues pruned to eliminate duplicates Z: 7 7.465 1.950 0.628 0.870 0.833 0.833 CB 0.841 7 residues pruned to eliminate duplicates Z: 51 32.509 2.150 0.665 0.464 0.860 0.580 CB 1.549 51 residues pruned to eliminate duplicates Z: 14 8.170 1.834 0.367 0.307 0.923 0.462 CA 1.213 14 residues pruned to eliminate duplicates Z: 18 11.630 1.750 0.518 0.493 0.824 0.588 CA 1.299 18 residues pruned to eliminate duplicates Z: 14 6.301 1.569 0.604 0.318 0.769 0.462 CB 1.104 Z: 6 5.613 1.785 0.181 0.577 0.800 0.400 CA 1.381 6 residues pruned to eliminate duplicates Z: 10 13.636 1.891 0.661 0.837 0.778 0.778 CB 1.392 10 residues pruned to eliminate duplicates Z: 17 18.047 2.023 0.357 0.899 0.938 0.812 CB 1.253 17 residues pruned to eliminate duplicates Z: 9 15.692 1.969 0.564 0.812 1.000 0.875 CA 1.373 9 residues pruned to eliminate duplicates Z: 25 29.836 2.108 0.567 0.681 0.958 0.708 CB 1.630 25 residues pruned to eliminate duplicates Z: 6 4.124 1.759 0.360 0.584 0.600 0.600 N 1.186 Z: 10 9.694 1.731 0.342 0.820 0.889 0.556 CA 1.186 10 residues pruned to eliminate duplicates Z: 36 29.365 2.137 0.568 0.505 0.943 0.629 CB 1.564 22 residues pruned to eliminate duplicates Z: 16 7.966 1.788 0.733 0.213 0.800 0.400 CB 1.163 16 residues pruned to eliminate duplicates Z: 32 20.132 1.949 0.614 0.445 0.903 0.581 CA 1.348 32 residues pruned to eliminate duplicates Z: 10 7.387 1.699 0.352 0.580 0.889 0.444 CB 1.117 14 residues pruned to eliminate duplicates Z: 26 18.219 2.063 0.362 0.415 0.920 0.600 CB 1.540 28 residues pruned to eliminate duplicates Z: 6 7.146 1.627 0.200 0.779 1.000 0.800 CB 1.281 Z: 23 13.531 1.954 0.405 0.393 0.864 0.409 CA 1.363 24 residues pruned to eliminate duplicates Z: 12 5.015 1.433 0.167 0.511 0.909 0.636 CB 0.983 12 residues pruned to eliminate duplicates Z: 25 12.013 1.880 0.318 0.319 0.833 0.333 CA 1.451 25 residues pruned to eliminate duplicates Z: 16 14.418 2.000 -0.060 0.865 0.933 0.867 CB 1.554 16 residues pruned to eliminate duplicates Z: 6 2.005 1.596 -0.329 0.540 1.000 0.400 C 0.805 Z: 14 11.577 1.935 0.316 0.538 0.846 0.615 CB 1.436 6 1.741 1.315 0.026 0.497 0.800 0.600 CB 0.724 ? Z: 52 39.398 2.103 0.687 0.625 0.980 0.647 CA 1.410 52 residues pruned to eliminate duplicates Z: 8 8.374 1.921 0.753 0.847 0.857 0.714 CB 0.814 8 residues pruned to eliminate duplicates Z: 8 2.043 1.883 -0.005 0.217 0.857 0.429 CB 0.671 8 residues pruned to eliminate duplicates Z: 17 14.952 2.006 0.712 0.516 0.875 0.625 CB 1.224 17 residues pruned to eliminate duplicates Z: 10 4.188 1.574 0.383 0.328 1.000 0.667 CA 0.775 9 residues pruned to eliminate duplicates Z: 10 3.666 1.554 0.302 0.460 0.667 0.556 N 0.943 Z: 10 15.039 1.781 1.080 0.794 0.889 0.556 CA 1.176 11 residues pruned to eliminate duplicates Z: 9 15.420 2.071 0.533 0.876 1.000 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 9 8.239 1.908 0.775 0.462 0.750 0.500 CB 1.192 9 residues pruned to eliminate duplicates Z: 14 20.123 2.099 0.867 0.688 0.769 0.538 CB 1.558 14 residues pruned to eliminate duplicates Z: 9 10.207 1.707 0.831 0.543 0.750 0.625 CB 1.475 8 residues pruned to eliminate duplicates Z: 77 44.257 2.102 0.667 0.569 0.921 0.566 CA 1.472 77 residues pruned to eliminate duplicates Z: 7 2.146 1.495 0.284 0.261 0.667 0.333 N 0.900 Z: 10 7.490 1.671 0.343 0.529 0.889 0.444 CA 1.217 Z: 33 24.118 2.060 0.724 0.460 0.875 0.406 CA 1.430 33 residues pruned to eliminate duplicates Z: 39 25.998 2.019 0.663 0.552 0.921 0.737 CA 1.296 39 residues pruned to eliminate duplicates Z: 36 20.632 2.024 0.644 0.435 0.857 0.486 CB 1.307 36 residues pruned to eliminate duplicates Z: 9 13.703 1.794 0.764 0.851 1.000 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 7 5.127 1.822 0.728 0.369 0.667 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 10 6.196 1.525 0.321 0.637 1.000 0.667 CB 0.902 10 residues pruned to eliminate duplicates Z: 20 18.241 2.023 0.305 0.805 0.947 0.842 CB 1.282 20 residues pruned to eliminate duplicates Z: 22 13.948 1.909 0.268 0.337 1.000 0.619 CB 1.502 22 residues pruned to eliminate duplicates Z: 6 5.466 1.719 0.277 0.760 1.000 0.800 CB 0.884 9 residues pruned to eliminate duplicates Z: 41 39.710 2.240 0.693 0.670 0.900 0.625 CB 1.572 30 residues pruned to eliminate duplicates Z: 7 6.328 1.735 0.770 0.485 0.667 0.167 CA 1.282 7 residues pruned to eliminate duplicates Z: 10 11.692 1.885 0.264 0.882 1.000 0.889 CB 1.183 10 residues pruned to eliminate duplicates Z: 8 7.145 1.809 0.224 0.457 1.000 0.714 CB 1.274 8 residues pruned to eliminate duplicates Z: 8 5.263 1.653 0.239 0.429 0.857 0.286 CB 1.219 8 residues pruned to eliminate duplicates Z: 15 8.599 1.854 0.646 0.279 0.857 0.500 CA 1.127 15 residues pruned to eliminate duplicates Z: 20 17.282 1.831 0.680 0.623 0.842 0.579 CB 1.364 20 residues pruned to eliminate duplicates Z: 68 43.573 2.102 0.669 0.600 0.940 0.537 CA 1.467 68 residues pruned to eliminate duplicates Z: 11 10.642 1.768 0.503 0.796 0.900 0.700 CB 1.085 11 residues pruned to eliminate duplicates Z: 28 27.107 2.020 0.468 0.694 0.963 0.741 CB 1.530 31 residues pruned to eliminate duplicates Z: 26 19.458 2.101 0.328 0.487 0.880 0.560 CA 1.605 26 residues pruned to eliminate duplicates Z: 10 6.143 1.837 0.280 0.404 0.667 0.222 CB 1.444 Z: 19 27.849 2.104 0.561 0.911 1.000 0.833 CA 1.416 19 residues pruned to eliminate duplicates Z: 14 8.701 1.644 0.501 0.461 0.846 0.538 CB 1.203 10 residues pruned to eliminate duplicates Z: 12 13.663 2.025 0.677 0.570 0.909 0.727 CB 1.247 12 residues pruned to eliminate duplicates Z: 11 11.490 1.854 0.263 0.551 1.000 0.700 N 1.476 11 residues pruned to eliminate duplicates Z: 10 3.008 1.477 0.545 0.198 0.667 0.444 CB 0.944 Z: 21 39.097 2.076 0.877 0.935 1.000 0.600 CA 1.564 21 residues pruned to eliminate duplicates Z: 22 17.291 1.914 0.417 0.408 1.000 0.714 CB 1.532 22 residues pruned to eliminate duplicates Z: 23 16.431 1.952 0.472 0.512 0.864 0.636 CB 1.396 23 residues pruned to eliminate duplicates Z: 25 18.484 1.981 0.276 0.645 0.917 0.708 CB 1.421 25 residues pruned to eliminate duplicates Z: 21 28.380 1.971 0.905 0.843 0.850 0.600 CA 1.480 21 residues pruned to eliminate duplicates Z: 14 4.296 1.780 0.420 0.145 0.692 0.231 CB 1.055 14 residues pruned to eliminate duplicates Z: 8 4.645 1.665 0.158 0.524 0.857 0.857 CB 1.037 7 residues pruned to eliminate duplicates Z: 7 3.075 1.480 0.266 0.368 0.667 0.500 N 1.158 Z: 10 4.679 1.606 0.360 0.449 1.000 0.556 CB 0.753 Z: 29 22.110 2.121 0.489 0.438 0.893 0.571 CA 1.580 29 residues pruned to eliminate duplicates Z: 54 38.859 2.089 0.674 0.626 0.943 0.566 CA 1.436 54 residues pruned to eliminate duplicates Z: 33 23.177 2.133 0.637 0.332 0.875 0.438 CA 1.611 16 residues pruned to eliminate duplicates Z: 28 19.827 2.074 0.516 0.480 0.926 0.556 CB 1.338 28 residues pruned to eliminate duplicates Z: 15 7.100 1.860 0.235 0.383 0.786 0.500 CB 1.191 15 residues pruned to eliminate duplicates Z: 35 19.438 2.061 0.637 0.346 0.824 0.529 CB 1.417 35 residues pruned to eliminate duplicates Z: 36 37.518 2.174 0.777 0.668 0.857 0.486 CB 1.639 36 residues pruned to eliminate duplicates Z: 6 2.473 1.432 0.180 0.288 0.800 0.400 N 1.038 Z: 21 22.688 1.891 0.608 0.859 0.850 0.300 CB 1.445 21 residues pruned to eliminate duplicates Z: 10 10.376 1.633 0.460 0.856 1.000 0.667 CA 1.070 10 residues pruned to eliminate duplicates Z: 6 3.051 1.462 0.121 0.295 1.000 0.800 C 1.048 Z: 28 22.905 2.042 0.488 0.636 0.889 0.667 CB 1.437 28 residues pruned to eliminate duplicates Z: 13 12.938 2.146 0.314 0.453 0.917 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 8 5.359 1.938 0.418 0.396 0.571 0.429 CA 1.439 8 residues pruned to eliminate duplicates Z: 8 8.414 1.691 0.213 0.895 1.000 0.857 CA 1.111 7 residues pruned to eliminate duplicates Z: 10 6.979 1.937 0.400 0.411 0.778 0.444 CA 1.211 Z: 17 11.364 1.921 0.552 0.434 0.875 0.500 CA 1.166 17 residues pruned to eliminate duplicates Z: 6 4.223 1.462 1.012 0.539 0.800 0.800 CB 0.772 Z: 37 34.016 2.145 0.485 0.658 0.972 0.750 CB 1.580 37 residues pruned to eliminate duplicates Z: 11 16.089 1.880 0.609 0.624 0.900 0.600 N 1.663 11 residues pruned to eliminate duplicates Z: 16 20.484 2.095 0.381 0.842 0.933 0.533 CA 1.460 16 residues pruned to eliminate duplicates Z: 7 6.574 1.885 0.050 0.541 0.833 0.667 N 1.563 7 residues pruned to eliminate duplicates Z: 6 9.463 1.808 0.349 0.744 1.000 0.400 O 1.395 Z: 36 22.380 1.959 0.380 0.557 0.886 0.600 CB 1.493 36 residues pruned to eliminate duplicates Z: 18 14.360 1.913 0.573 0.403 0.882 0.529 CB 1.451 18 residues pruned to eliminate duplicates Z: 32 17.144 1.928 0.597 0.466 0.871 0.484 CB 1.188 32 residues pruned to eliminate duplicates Z: 14 5.873 1.456 0.155 0.444 0.923 0.538 CB 1.112 Z: 6 5.146 1.765 1.212 0.499 1.000 0.600 CB 0.590 6 residues pruned to eliminate duplicates Z: 13 16.586 1.996 0.631 0.914 0.917 0.750 CA 1.135 13 residues pruned to eliminate duplicates Z: 19 8.897 1.632 0.499 0.252 0.889 0.444 CB 1.282 19 residues pruned to eliminate duplicates Z: 11 6.486 1.657 0.252 0.479 0.900 0.500 CA 1.122 Z: 17 7.433 1.748 0.206 0.417 0.875 0.625 CB 1.098 17 residues pruned to eliminate duplicates Z: 43 15.289 1.876 0.323 0.388 0.833 0.595 CA 1.285 43 residues pruned to eliminate duplicates Z: 12 7.538 1.954 0.554 0.438 0.727 0.545 CA 1.097 9 residues pruned to eliminate duplicates Z: 9 7.239 1.623 0.480 0.447 0.875 0.500 C 1.286 9 residues pruned to eliminate duplicates Z: 9 8.679 1.515 0.740 0.620 0.875 0.500 CA 1.188 6 residues pruned to eliminate duplicates Z: 43 34.708 2.192 0.487 0.638 0.929 0.762 CB 1.555 43 residues pruned to eliminate duplicates Z: 6 2.483 1.515 0.251 0.391 0.800 0.600 CB 0.822 Z: 64 42.012 2.163 0.713 0.541 0.873 0.460 CB 1.571 56 residues pruned to eliminate duplicates Z: 10 11.860 1.709 0.340 0.815 1.000 0.889 CA 1.313 Z: 10 8.711 1.868 0.506 0.490 0.778 0.556 CA 1.341 6 residues pruned to eliminate duplicates Z: 21 11.623 1.819 0.522 0.363 0.950 0.450 CA 1.145 21 residues pruned to eliminate duplicates Z: 20 9.690 1.798 0.475 0.298 0.789 0.474 CB 1.329 20 residues pruned to eliminate duplicates Z: 7 4.547 1.723 0.316 0.539 1.000 0.667 N 0.788 7 residues pruned to eliminate duplicates Z: 17 26.555 1.962 0.683 0.922 1.000 0.625 CB 1.414 17 residues pruned to eliminate duplicates Z: 12 7.005 1.908 0.497 0.382 0.727 0.455 CB 1.152 12 residues pruned to eliminate duplicates Z: 10 4.896 1.672 0.350 0.434 0.778 0.444 CB 0.995 Z: 32 13.655 1.889 0.486 0.316 0.839 0.452 CA 1.276 32 residues pruned to eliminate duplicates Z: 17 17.349 1.996 0.708 0.889 0.812 0.562 CB 1.127 17 residues pruned to eliminate duplicates Z: 16 6.588 1.557 0.491 0.300 0.733 0.333 CB 1.248 16 residues pruned to eliminate duplicates Z: 8 5.153 1.828 0.170 0.847 1.000 0.857 CB 0.676 8 residues pruned to eliminate duplicates Z: 9 9.726 2.080 0.475 0.473 0.875 0.750 CA 1.316 9 residues pruned to eliminate duplicates Z: 10 4.418 1.598 0.125 0.476 1.000 0.444 CB 0.840 Z: 9 10.659 1.750 0.212 0.901 1.000 0.750 CA 1.268 9 residues pruned to eliminate duplicates Z: 11 20.102 1.815 0.694 0.914 1.000 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 10 8.191 1.888 0.362 0.587 0.889 0.444 CB 1.099 8 residues pruned to eliminate duplicates Z: 14 12.245 1.835 0.588 0.464 0.846 0.615 CB 1.429 13 residues pruned to eliminate duplicates Z: 20 13.563 1.828 0.498 0.310 1.000 0.421 CB 1.402 20 residues pruned to eliminate duplicates Z: 31 18.202 1.993 0.607 0.470 0.900 0.533 CB 1.188 31 residues pruned to eliminate duplicates Z: 35 22.778 2.021 0.513 0.515 0.853 0.500 CA 1.475 35 residues pruned to eliminate duplicates Z: 10 12.532 1.687 0.405 0.772 1.000 0.667 CB 1.385 10 residues pruned to eliminate duplicates Z: 13 6.767 1.868 0.319 0.307 0.750 0.500 CA 1.310 13 residues pruned to eliminate duplicates Z: 22 24.395 1.919 0.610 0.860 1.000 0.619 CB 1.267 22 residues pruned to eliminate duplicates Z: 55 40.148 2.250 0.598 0.586 0.944 0.574 CB 1.482 55 residues pruned to eliminate duplicates Z: 12 19.861 2.062 0.812 0.875 0.818 0.545 CA 1.424 12 residues pruned to eliminate duplicates Z: 24 12.331 1.983 0.339 0.349 0.826 0.435 CA 1.381 24 residues pruned to eliminate duplicates Z: 11 6.913 1.932 0.364 0.374 0.800 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 6 4.875 1.669 0.472 0.569 1.000 0.600 CB 0.830 6 residues pruned to eliminate duplicates Z: 7 6.972 1.673 0.384 0.720 1.000 0.833 CA 1.008 7 residues pruned to eliminate duplicates Z: 6 2.747 1.503 0.045 0.725 0.800 0.800 CB 0.798 6 residues pruned to eliminate duplicates Z: 6 2.410 1.703 0.064 0.299 0.600 0.600 C 1.240 Z: 21 20.413 2.107 0.605 0.431 0.900 0.400 CA 1.611 21 residues pruned to eliminate duplicates Z: 8 8.562 1.653 0.194 0.854 1.000 0.857 CB 1.211 8 residues pruned to eliminate duplicates Z: 6 3.698 1.559 0.414 0.493 0.800 0.600 CB 0.944 Z: 44 38.634 2.164 0.706 0.614 0.907 0.512 CB 1.580 44 residues pruned to eliminate duplicates Z: 13 11.684 2.014 0.432 0.349 0.833 0.583 CB 1.654 13 residues pruned to eliminate duplicates Z: 13 14.204 1.921 0.358 0.725 1.000 0.750 CB 1.283 13 residues pruned to eliminate duplicates Z: 6 3.081 1.409 0.016 0.699 0.800 0.600 O 1.004 Z: 10 3.843 1.681 0.660 0.324 0.667 0.444 CB 0.835 Z: 9 3.302 1.495 0.638 0.320 0.500 0.375 N 1.164 Z: 11 10.962 1.908 0.367 0.616 0.900 0.800 CA 1.324 11 residues pruned to eliminate duplicates Z: 21 46.003 2.280 0.869 0.922 1.000 0.750 CB 1.697 21 residues pruned to eliminate duplicates Z: 23 13.410 1.923 0.505 0.349 0.909 0.500 CA 1.280 23 residues pruned to eliminate duplicates Z: 8 2.179 1.335 0.467 0.214 0.857 0.429 CB 0.687 Z: 12 11.742 1.741 0.534 0.780 1.000 0.818 CA 1.036 12 residues pruned to eliminate duplicates Z: 6 3.470 1.346 0.246 0.417 1.000 0.400 C 1.008 Z: 50 28.208 2.030 0.586 0.560 0.898 0.510 CA 1.315 50 residues pruned to eliminate duplicates Z: 15 7.834 1.646 0.743 0.250 0.857 0.286 CA 1.136 Z: 51 23.479 1.991 0.599 0.409 0.860 0.620 CA 1.333 51 residues pruned to eliminate duplicates Z: 16 27.460 2.153 0.393 0.925 1.000 0.800 CB 1.658 16 residues pruned to eliminate duplicates Z: 6 2.027 1.551 0.154 0.541 1.000 0.400 CB 0.487 Z: 7 4.987 1.701 0.928 0.418 0.667 0.500 CB 1.014 6 residues pruned to eliminate duplicates Z: 7 2.184 1.630 0.184 0.220 0.667 0.500 CB 0.962 Z: 18 8.816 1.851 0.329 0.454 0.824 0.412 CB 1.106 18 residues pruned to eliminate duplicates Z: 14 8.052 1.649 0.572 0.397 0.769 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 6 8.687 1.680 0.676 0.796 0.800 0.800 N 1.331 6 residues pruned to eliminate duplicates Z: 6 3.529 1.385 0.403 0.628 0.800 0.600 CA 0.900 6 residues pruned to eliminate duplicates Z: 6 2.577 1.470 -0.139 0.673 0.800 0.800 CB 0.971 Z: 6 8.467 1.638 0.697 0.614 1.000 0.800 O 1.223 Z: 12 9.270 1.875 0.517 0.488 0.818 0.455 CA 1.215 12 residues pruned to eliminate duplicates Z: 6 2.383 1.269 0.023 0.327 1.000 0.400 CA 0.992 Z: 8 7.210 1.621 0.569 0.520 0.857 0.286 CB 1.225 8 residues pruned to eliminate duplicates Z: 8 8.425 1.640 0.745 0.621 0.857 0.714 CB 1.157 Z: 8 4.291 1.666 0.224 0.551 0.714 0.714 CB 1.059 7 residues pruned to eliminate duplicates Z: 7 5.049 1.483 0.276 0.827 1.000 0.833 CB 0.821 Z: 30 18.246 1.997 0.464 0.518 0.931 0.552 CB 1.222 30 residues pruned to eliminate duplicates Z: 10 4.467 1.805 0.101 0.322 0.889 0.444 CB 1.026 11 residues pruned to eliminate duplicates Z: 20 9.571 2.019 0.110 0.354 0.789 0.474 CB 1.453 20 residues pruned to eliminate duplicates Z: 15 9.934 1.912 0.462 0.393 0.857 0.571 CA 1.241 15 residues pruned to eliminate duplicates Z: 11 6.927 1.639 0.466 0.380 1.000 0.300 CB 1.035 10 residues pruned to eliminate duplicates Z: 6 8.140 1.868 0.304 0.502 1.000 0.400 CB 1.491 6 residues pruned to eliminate duplicates Z: 8 3.568 1.570 0.187 0.444 0.857 0.429 CA 0.894 Z: 6 3.465 1.739 0.554 0.552 0.800 0.600 N 0.681 Z: 12 6.652 1.707 0.446 0.450 0.818 0.727 CA 1.046 12 residues pruned to eliminate duplicates Z: 7 10.461 1.784 0.526 0.642 1.000 0.833 CA 1.374 7 residues pruned to eliminate duplicates Z: 7 3.226 1.717 -0.082 0.348 0.833 0.500 CB 1.182 Z: 65 37.641 1.981 0.733 0.604 0.891 0.562 CB 1.394 65 residues pruned to eliminate duplicates Z: 26 14.561 1.870 0.592 0.350 0.840 0.640 CA 1.370 26 residues pruned to eliminate duplicates Z: 14 6.562 1.646 0.427 0.291 0.846 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 6 5.083 1.501 0.102 0.760 1.000 0.800 CB 1.091 Z: 22 10.841 1.898 0.493 0.333 0.810 0.476 CB 1.238 22 residues pruned to eliminate duplicates Z: 34 17.247 1.922 0.380 0.403 0.879 0.576 CA 1.426 34 residues pruned to eliminate duplicates Z: 8 2.379 1.418 0.501 0.193 0.714 0.429 CB 0.853 Z: 43 38.293 2.140 0.703 0.577 0.976 0.548 CB 1.541 43 residues pruned to eliminate duplicates Z: 11 11.064 1.628 0.575 0.639 1.000 0.700 CB 1.198 10 residues pruned to eliminate duplicates Z: 7 3.720 1.347 0.611 0.479 0.833 0.333 CA 0.857 Z: 14 10.647 1.960 0.299 0.447 1.000 0.615 CA 1.225 14 residues pruned to eliminate duplicates Z: 28 12.919 1.790 0.274 0.405 0.926 0.407 CB 1.301 28 residues pruned to eliminate duplicates Z: 59 39.123 2.032 0.672 0.612 0.931 0.586 CA 1.460 62 residues pruned to eliminate duplicates Z: 14 7.712 1.615 0.519 0.429 0.923 0.692 CB 1.016 15 residues pruned to eliminate duplicates Z: 21 17.441 2.043 0.467 0.476 0.850 0.600 CA 1.567 21 residues pruned to eliminate duplicates Z: 12 14.852 2.082 0.382 0.509 0.909 0.455 CB 1.696 12 residues pruned to eliminate duplicates Z: 10 15.941 1.875 0.446 0.916 1.000 1.000 CA 1.385 10 residues pruned to eliminate duplicates Z: 11 11.790 1.726 1.115 0.547 1.000 0.600 CB 0.975 11 residues pruned to eliminate duplicates Z: 8 8.396 1.716 0.235 0.836 0.857 0.714 CB 1.307 8 residues pruned to eliminate duplicates Z: 11 18.003 1.916 0.701 0.860 1.000 0.800 CA 1.284 11 residues pruned to eliminate duplicates Z: 25 13.895 1.945 0.451 0.406 0.792 0.542 CB 1.401 29 residues pruned to eliminate duplicates Z: 46 34.939 2.129 0.639 0.656 0.889 0.578 CA 1.453 46 residues pruned to eliminate duplicates Z: 10 5.703 1.787 0.270 0.423 0.778 0.667 CA 1.167 8 residues pruned to eliminate duplicates 6 1.552 1.467 -0.091 0.222 0.800 0.200 CB 0.901 ? Z: 6 5.708 1.668 0.329 0.732 0.800 0.800 CA 1.169 Z: 13 6.909 1.896 0.450 0.417 0.667 0.500 CB 1.187 13 residues pruned to eliminate duplicates Z: 19 8.868 1.835 0.628 0.315 0.722 0.333 CA 1.188 19 residues pruned to eliminate duplicates Z: 11 5.775 1.604 0.287 0.416 0.900 0.700 CB 1.073 Z: 13 9.400 1.694 0.580 0.524 0.917 0.667 CB 1.080 13 residues pruned to eliminate duplicates Z: 8 2.435 1.468 0.125 0.307 0.857 0.429 CB 0.806 7 residues pruned to eliminate duplicates Z: 15 10.477 1.907 0.385 0.522 0.857 0.714 CB 1.210 15 residues pruned to eliminate duplicates Z: 20 26.740 1.942 0.742 0.908 0.842 0.579 CB 1.529 20 residues pruned to eliminate duplicates Z: 12 18.387 2.069 0.839 0.855 0.818 0.364 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 5.111 1.924 0.415 0.228 0.750 0.333 CB 0.992 8 residues pruned to eliminate duplicates Z: 10 13.849 1.740 0.418 0.771 1.000 0.444 CA 1.473 10 residues pruned to eliminate duplicates Z: 18 24.907 2.039 0.852 0.915 1.000 0.647 CB 1.131 18 residues pruned to eliminate duplicates Z: 9 5.943 1.431 0.558 0.373 0.875 0.625 C 1.234 Z: 12 6.420 1.669 0.853 0.271 0.727 0.364 N 1.116 12 residues pruned to eliminate duplicates Z: 14 5.187 1.540 0.436 0.339 0.846 0.385 CB 0.917 Z: 9 3.259 1.444 0.172 0.526 0.750 0.625 CB 0.885 Z: 6 2.798 1.674 -0.078 0.438 0.800 0.600 CB 1.080 Z: 21 31.909 1.989 0.793 0.912 1.000 0.650 CB 1.417 21 residues pruned to eliminate duplicates Z: 8 5.521 1.685 0.778 0.330 0.714 0.429 CA 1.175 11 residues pruned to eliminate duplicates Z: 9 12.148 1.905 0.304 0.646 1.000 0.875 CA 1.509 9 residues pruned to eliminate duplicates Z: 17 10.040 1.846 0.371 0.250 0.938 0.312 CA 1.410 17 residues pruned to eliminate duplicates Z: 9 3.752 1.594 0.132 0.494 0.750 0.625 CB 0.986 8 residues pruned to eliminate duplicates Z: 11 18.617 2.124 0.580 0.888 0.800 0.800 CA 1.579 11 residues pruned to eliminate duplicates Z: 13 10.506 1.722 0.535 0.441 0.917 0.500 CA 1.331 13 residues pruned to eliminate duplicates Z: 9 6.445 1.359 0.782 0.676 0.875 0.625 N 0.914 9 residues pruned to eliminate duplicates Z: 8 10.389 1.759 0.492 0.851 1.000 0.571 N 1.107 8 residues pruned to eliminate duplicates Z: 22 11.477 1.797 0.450 0.385 0.857 0.476 CB 1.267 22 residues pruned to eliminate duplicates Z: 8 6.790 1.738 0.128 0.558 1.000 0.571 CA 1.237 15 residues pruned to eliminate duplicates Z: 6 6.572 1.923 0.328 0.642 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 6 2.800 1.455 0.405 0.443 1.000 0.600 CB 0.650 Z: 6 2.326 1.515 0.153 0.502 1.000 0.400 CA 0.594 Z: 36 25.797 2.154 0.530 0.520 0.857 0.629 CB 1.513 36 residues pruned to eliminate duplicates Z: 20 11.161 1.856 0.366 0.383 0.895 0.632 CB 1.278 20 residues pruned to eliminate duplicates Z: 27 14.665 1.931 0.469 0.389 0.808 0.577 CA 1.412 27 residues pruned to eliminate duplicates Z: 19 11.463 1.892 0.712 0.313 0.722 0.444 CA 1.421 17 residues pruned to eliminate duplicates 6 1.597 1.422 -0.184 0.398 1.000 0.800 CA 0.685 ? Z: 17 14.158 1.950 0.479 0.512 0.875 0.562 CA 1.386 18 residues pruned to eliminate duplicates Z: 45 28.105 2.038 0.498 0.534 0.932 0.409 CA 1.440 43 residues pruned to eliminate duplicates Z: 6 2.313 1.341 0.412 0.467 0.600 0.400 N 0.941 Z: 19 23.490 1.966 0.659 0.894 0.833 0.444 CB 1.462 19 residues pruned to eliminate duplicates Z: 26 17.398 2.023 0.587 0.448 0.880 0.440 CB 1.298 26 residues pruned to eliminate duplicates Z: 6 2.622 1.569 -0.074 0.408 0.800 0.800 CA 1.111 Z: 8 17.683 1.974 1.039 0.730 1.000 1.000 CA 1.351 8 residues pruned to eliminate duplicates Z: 10 9.565 1.695 0.342 0.832 0.889 0.444 CA 1.184 10 residues pruned to eliminate duplicates Z: 10 3.560 1.744 -0.049 0.408 0.889 0.444 CA 0.887 10 residues pruned to eliminate duplicates Z: 13 8.541 1.707 0.450 0.513 0.833 0.750 CA 1.180 13 residues pruned to eliminate duplicates Z: 6 5.073 1.777 0.799 0.448 0.800 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 13 4.704 1.345 0.701 0.261 0.750 0.417 CA 1.040 Z: 6 4.413 1.535 0.372 0.633 0.800 0.400 CB 1.033 Z: 14 21.798 1.999 0.765 0.901 0.846 0.538 CA 1.445 14 residues pruned to eliminate duplicates Z: 7 2.579 1.702 0.589 0.436 0.500 0.500 CB 0.832 Z: 29 21.301 2.125 0.495 0.454 0.929 0.643 CA 1.430 29 residues pruned to eliminate duplicates Z: 7 2.435 1.364 0.383 0.448 0.667 0.500 CA 0.834 7 residues pruned to eliminate duplicates Z: 15 9.307 1.742 0.542 0.370 0.929 0.429 CB 1.147 16 residues pruned to eliminate duplicates 6 1.366 1.002 0.460 0.372 0.800 0.400 CA 0.599 ? Z: 18 12.842 1.843 0.468 0.419 0.882 0.529 CA 1.419 18 residues pruned to eliminate duplicates Z: 6 5.014 2.039 0.226 0.725 0.600 0.600 CB 1.220 6 residues pruned to eliminate duplicates Z: 6 11.338 1.840 0.746 0.802 1.000 0.800 CA 1.212 7 residues pruned to eliminate duplicates Z: 6 3.343 1.376 0.604 0.510 0.800 0.400 CB 0.838 Z: 22 12.081 1.837 0.518 0.375 0.857 0.429 CB 1.261 22 residues pruned to eliminate duplicates Z: 8 3.020 1.438 0.245 0.444 0.714 0.571 CB 0.945 8 residues pruned to eliminate duplicates Z: 23 10.788 1.733 0.441 0.407 0.864 0.545 CB 1.176 23 residues pruned to eliminate duplicates Z: 31 13.252 1.856 0.394 0.417 0.867 0.500 CB 1.176 32 residues pruned to eliminate duplicates Z: 12 10.807 1.960 0.588 0.557 0.818 0.727 CA 1.211 12 residues pruned to eliminate duplicates 8 1.610 1.323 0.719 0.207 0.429 0.286 O 0.883 ? Z: 23 11.368 1.678 0.516 0.387 0.909 0.500 CA 1.181 23 residues pruned to eliminate duplicates Z: 8 6.738 1.465 0.507 0.704 1.000 0.857 CA 0.958 Z: 41 35.500 2.113 0.646 0.721 0.925 0.700 CA 1.429 41 residues pruned to eliminate duplicates Z: 25 16.504 2.071 0.605 0.277 0.833 0.458 CA 1.566 25 residues pruned to eliminate duplicates 8 1.732 1.140 0.238 0.245 0.857 0.429 CB 0.726 ? Z: 37 26.939 2.200 0.584 0.542 0.861 0.472 CB 1.436 37 residues pruned to eliminate duplicates 7 1.794 1.720 0.248 0.246 0.500 0.333 N 0.915 ? Z: 26 12.576 1.917 0.488 0.375 0.720 0.440 CB 1.400 26 residues pruned to eliminate duplicates Z: 7 3.048 1.337 0.394 0.511 0.833 0.667 N 0.793 Z: 32 13.201 1.833 0.292 0.391 0.839 0.452 CB 1.339 32 residues pruned to eliminate duplicates Z: 27 17.295 2.095 0.902 0.229 0.846 0.462 CB 1.380 27 residues pruned to eliminate duplicates Z: 13 10.576 1.733 0.382 0.640 0.917 0.667 CB 1.220 13 residues pruned to eliminate duplicates Z: 6 2.856 1.344 0.214 0.552 0.800 0.800 O 0.930 Z: 10 8.670 1.904 0.208 0.480 0.889 0.667 CA 1.442 10 residues pruned to eliminate duplicates Z: 7 3.654 1.426 0.803 0.349 0.833 0.833 CB 0.820 Z: 11 6.242 1.758 0.294 0.552 0.900 0.700 CB 0.916 Z: 24 19.231 2.051 0.509 0.575 0.957 0.609 CB 1.260 24 residues pruned to eliminate duplicates 6 1.233 1.255 0.222 0.825 1.000 0.800 CB 0.271 ? Z: 7 2.981 1.379 0.126 0.580 0.833 0.833 CB 0.871 Z: 10 4.595 1.531 0.473 0.365 0.778 0.444 CB 1.009 Z: 19 22.531 2.084 0.777 0.627 0.778 0.389 CA 1.636 19 residues pruned to eliminate duplicates Z: 31 11.287 1.697 0.616 0.333 0.767 0.467 CB 1.176 47 residues pruned to eliminate duplicates Z: 19 16.595 1.936 0.951 0.450 0.833 0.500 CB 1.309 19 residues pruned to eliminate duplicates Z: 10 7.208 1.668 0.497 0.428 0.889 0.667 CB 1.166 10 residues pruned to eliminate duplicates Z: 6 2.702 1.670 0.051 0.255 0.800 0.600 N 1.139 Z: 9 13.028 1.786 0.389 0.884 1.000 0.875 CA 1.341 9 residues pruned to eliminate duplicates Z: 6 4.657 1.368 0.603 0.657 0.800 0.800 N 1.026 6 residues pruned to eliminate duplicates Z: 6 6.054 1.809 0.272 0.432 1.000 0.800 CA 1.262 6 residues pruned to eliminate duplicates Z: 41 15.162 1.889 0.325 0.380 0.850 0.450 CA 1.281 41 residues pruned to eliminate duplicates Z: 9 3.816 1.767 0.156 0.523 0.875 0.750 CB 0.738 9 residues pruned to eliminate duplicates Z: 11 6.811 1.844 0.344 0.498 0.700 0.600 CA 1.244 11 residues pruned to eliminate duplicates Z: 6 2.802 1.027 0.314 0.747 1.000 0.400 N 0.744 Z: 9 4.281 1.577 0.158 0.404 0.875 0.500 CB 1.048 11 residues pruned to eliminate duplicates Z: 38 26.082 2.133 0.595 0.462 0.919 0.622 CB 1.426 38 residues pruned to eliminate duplicates Z: 9 9.258 1.865 0.259 0.505 1.000 0.875 CA 1.387 9 residues pruned to eliminate duplicates Z: 6 3.003 1.414 -0.033 0.721 0.800 0.600 O 1.005 Z: 8 9.591 1.564 0.738 0.784 1.000 0.571 N 1.039 Z: 26 17.278 2.060 0.546 0.396 0.840 0.560 CB 1.442 26 residues pruned to eliminate duplicates Z: 8 3.345 1.487 0.556 0.203 0.714 0.429 CB 1.087 8 residues pruned to eliminate duplicates Z: 13 7.473 1.731 0.434 0.343 0.833 0.167 CB 1.237 11 residues pruned to eliminate duplicates Z: 57 35.659 2.055 0.603 0.635 0.946 0.571 CA 1.347 59 residues pruned to eliminate duplicates Z: 13 9.237 1.917 0.438 0.378 0.833 0.500 CA 1.322 13 residues pruned to eliminate duplicates Z: 34 28.445 2.060 0.577 0.619 0.879 0.515 CA 1.550 34 residues pruned to eliminate duplicates Z: 7 3.844 1.402 0.676 0.435 0.667 0.500 N 1.072 Z: 38 11.327 1.906 0.184 0.358 0.676 0.378 CB 1.423 38 residues pruned to eliminate duplicates Z: 13 11.136 1.888 0.493 0.578 0.833 0.667 CA 1.269 13 residues pruned to eliminate duplicates Z: 10 5.449 1.698 0.253 0.389 0.889 0.444 CB 1.080 6 1.690 1.387 0.210 0.477 0.800 0.400 CB 0.576 ? Z: 20 13.395 1.992 0.639 0.564 0.895 0.684 CB 0.989 20 residues pruned to eliminate duplicates Z: 17 8.625 1.843 0.288 0.399 0.938 0.562 CB 1.077 17 residues pruned to eliminate duplicates Z: 7 4.163 1.422 0.542 0.414 1.000 0.833 CB 0.848 Z: 10 7.591 1.722 0.487 0.780 0.667 0.444 CB 1.158 10 residues pruned to eliminate duplicates Z: 7 2.908 1.786 0.121 0.466 0.833 0.667 CB 0.737 7 residues pruned to eliminate duplicates Z: 8 5.361 2.109 0.226 0.342 0.714 0.429 CB 1.303 8 residues pruned to eliminate duplicates Z: 10 6.760 1.754 0.532 0.279 0.889 0.333 CB 1.211 Z: 10 9.491 1.716 0.152 0.686 1.000 0.778 CB 1.351 10 residues pruned to eliminate duplicates Z: 9 6.093 1.929 0.252 0.511 0.750 0.500 CB 1.176 9 residues pruned to eliminate duplicates Z: 7 5.787 1.676 0.275 0.498 1.000 0.833 CA 1.107 7 residues pruned to eliminate duplicates 7 1.414 1.051 0.180 0.248 0.833 0.333 CA 0.747 ? Z: 21 18.071 1.923 0.605 0.493 0.850 0.650 CA 1.551 21 residues pruned to eliminate duplicates Z: 6 2.584 1.416 0.061 0.381 0.800 0.200 C 1.092 Z: 21 7.046 1.583 0.505 0.264 0.700 0.300 N 1.236 21 residues pruned to eliminate duplicates Z: 30 28.930 2.047 0.701 0.683 1.000 0.724 CA 1.304 30 residues pruned to eliminate duplicates Z: 7 6.471 1.530 0.353 0.515 1.000 0.500 CA 1.258 Z: 21 16.750 2.003 1.011 0.325 0.900 0.600 CA 1.252 21 residues pruned to eliminate duplicates Z: 32 17.008 1.791 0.563 0.513 0.871 0.484 CA 1.238 32 residues pruned to eliminate duplicates Z: 9 6.075 1.542 0.110 0.629 0.875 0.500 C 1.270 Z: 12 4.001 1.628 -0.075 0.348 0.727 0.364 CB 1.298 12 residues pruned to eliminate duplicates Z: 8 6.929 1.728 0.329 0.554 0.714 0.714 CA 1.515 8 residues pruned to eliminate duplicates Z: 11 20.982 2.105 0.676 0.901 0.900 0.800 CA 1.491 11 residues pruned to eliminate duplicates Z: 6 4.559 1.591 0.550 0.414 0.800 0.600 CA 1.131 6 residues pruned to eliminate duplicates Z: 6 2.088 1.525 0.225 0.270 0.800 0.600 CB 0.812 Z: 17 12.166 1.934 0.373 0.424 0.875 0.625 CB 1.416 17 residues pruned to eliminate duplicates Z: 9 2.193 1.392 0.295 0.257 0.625 0.375 N 0.909 9 residues pruned to eliminate duplicates 7 1.693 1.530 0.001 0.266 0.833 0.500 CB 0.706 ? Z: 61 28.655 2.145 0.462 0.454 0.950 0.500 CB 1.302 61 residues pruned to eliminate duplicates Z: 16 6.910 1.820 0.269 0.474 0.867 0.667 CB 0.915 16 residues pruned to eliminate duplicates Z: 9 7.233 1.865 0.035 0.530 0.875 0.500 CA 1.469 9 residues pruned to eliminate duplicates Z: 12 5.753 1.767 0.266 0.339 0.636 0.455 CB 1.452 11 residues pruned to eliminate duplicates Z: 6 2.667 1.890 0.073 0.678 1.000 0.800 CB 0.500 Z: 11 3.133 1.540 0.199 0.185 0.800 0.300 CA 0.979 11 residues pruned to eliminate duplicates Z: 6 2.051 1.474 0.983 0.293 0.800 0.800 CB 0.494 Z: 6 3.331 1.418 0.313 0.399 0.800 0.600 CA 1.113 Z: 10 4.836 1.533 0.657 0.803 0.889 0.556 CB 0.548 10 residues pruned to eliminate duplicates Z: 44 35.178 2.103 0.708 0.588 0.907 0.628 CB 1.514 44 residues pruned to eliminate duplicates Z: 6 2.679 1.330 0.455 0.390 0.800 0.400 CA 0.870 Z: 20 28.382 1.973 0.798 0.897 0.947 0.789 CB 1.386 20 residues pruned to eliminate duplicates Z: 12 8.096 1.949 0.271 0.464 1.000 0.636 CB 1.022 12 residues pruned to eliminate duplicates Z: 10 8.278 1.781 0.221 0.627 0.889 0.778 CB 1.266 10 residues pruned to eliminate duplicates Z: 7 7.610 1.755 0.092 0.845 1.000 1.000 N 1.205 7 residues pruned to eliminate duplicates Z: 6 2.950 1.165 0.466 0.555 1.000 0.400 CB 0.732 Z: 17 28.110 2.125 0.842 0.935 1.000 0.938 CB 1.250 17 residues pruned to eliminate duplicates Z: 7 4.604 1.521 0.607 0.389 0.833 0.667 CA 1.038 7 residues pruned to eliminate duplicates 6 1.218 1.001 -0.091 0.456 1.000 0.400 CB 0.627 ? 8 1.746 1.285 0.282 0.370 0.571 0.429 CA 0.806 ? Z: 30 17.870 1.927 0.668 0.470 0.897 0.690 CB 1.188 29 residues pruned to eliminate duplicates 7 1.690 1.614 0.379 0.271 0.333 0.000 CB 1.206 ? Z: 9 13.201 2.015 0.531 0.788 0.875 0.625 CA 1.342 9 residues pruned to eliminate duplicates Z: 18 15.456 2.028 0.526 0.460 0.882 0.588 CB 1.430 18 residues pruned to eliminate duplicates Z: 13 6.530 1.641 0.677 0.242 0.750 0.167 CB 1.231 13 residues pruned to eliminate duplicates Z: 20 12.062 2.063 0.306 0.488 0.895 0.632 CB 1.162 20 residues pruned to eliminate duplicates Z: 12 3.479 1.579 0.194 0.339 0.818 0.545 CB 0.810 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 15.185 2.025 0.687 0.698 1.000 0.500 CB 1.515 7 residues pruned to eliminate duplicates Z: 9 7.824 1.682 0.598 0.546 0.875 0.625 CB 1.125 9 residues pruned to eliminate duplicates Z: 7 14.554 2.009 0.632 0.720 1.000 0.667 CB 1.485 8 residues pruned to eliminate duplicates Z: 9 9.290 1.771 0.665 0.594 0.875 0.500 CB 1.163 8 residues pruned to eliminate duplicates Z: 8 12.081 1.922 0.377 0.777 1.000 0.571 CB 1.350 8 residues pruned to eliminate duplicates Z: 21 17.179 2.084 0.549 0.455 0.900 0.350 CB 1.385 21 residues pruned to eliminate duplicates Z: 39 25.940 2.139 0.531 0.487 0.895 0.500 CB 1.455 39 residues pruned to eliminate duplicates Z: 12 13.740 2.014 0.390 0.658 0.909 0.636 CB 1.406 10 residues pruned to eliminate duplicates Z: 10 12.210 1.704 0.426 0.824 0.889 0.556 CA 1.424 10 residues pruned to eliminate duplicates Z: 69 51.271 2.236 0.719 0.578 0.956 0.544 CB 1.570 79 residues pruned to eliminate duplicates Z: 8 9.210 1.942 0.334 0.701 0.714 0.429 CB 1.567 8 residues pruned to eliminate duplicates Z: 6 5.286 1.684 0.460 0.414 0.800 0.000 C 1.314 8 residues pruned to eliminate duplicates Z: 7 7.988 1.629 0.921 0.371 0.833 0.000 CA 1.436 8 residues pruned to eliminate duplicates Z: 6 3.898 1.764 0.320 0.318 0.800 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 10 10.144 1.873 0.588 0.568 0.778 0.444 CB 1.369 10 residues pruned to eliminate duplicates Z: 9 19.845 2.087 0.771 0.754 1.000 0.500 CB 1.513 9 residues pruned to eliminate duplicates 6 1.864 1.024 0.271 0.377 1.000 0.800 O 0.730 ? Z: 7 4.882 1.446 0.645 0.505 1.000 0.333 CA 0.834 7 residues pruned to eliminate duplicates Z: 24 13.811 1.862 0.472 0.331 0.957 0.565 CB 1.322 24 residues pruned to eliminate duplicates Z: 32 16.993 1.914 0.380 0.386 0.903 0.484 CB 1.444 30 residues pruned to eliminate duplicates Z: 8 7.260 1.660 0.412 0.473 1.000 0.857 CA 1.204 8 residues pruned to eliminate duplicates Z: 32 17.657 1.846 0.525 0.305 0.935 0.581 CA 1.495 33 residues pruned to eliminate duplicates Z: 6 4.958 1.806 0.236 0.377 1.000 0.600 CB 1.133 6 residues pruned to eliminate duplicates Z: 18 11.757 1.962 0.207 0.326 0.941 0.529 CA 1.548 18 residues pruned to eliminate duplicates Z: 25 13.455 1.851 0.362 0.303 0.917 0.500 CA 1.480 25 residues pruned to eliminate duplicates Z: 30 14.451 1.923 0.392 0.357 0.897 0.724 CB 1.304 30 residues pruned to eliminate duplicates Z: 23 15.007 1.921 0.404 0.314 0.955 0.500 N 1.528 23 residues pruned to eliminate duplicates Z: 29 15.811 1.837 0.484 0.276 0.929 0.500 N 1.521 29 residues pruned to eliminate duplicates Z: 29 13.984 1.827 0.459 0.269 0.929 0.357 CB 1.388 25 residues pruned to eliminate duplicates Z: 7 7.474 1.471 0.965 0.409 1.000 0.667 C 1.161 7 residues pruned to eliminate duplicates Z: 6 2.050 1.608 0.548 0.297 0.600 0.600 N 0.770 6 residues pruned to eliminate duplicates Z: 15 6.844 1.779 0.315 0.404 0.714 0.571 CB 1.211 15 residues pruned to eliminate duplicates Z: 10 9.204 1.887 0.378 0.546 0.778 0.556 CA 1.450 10 residues pruned to eliminate duplicates Z: 11 11.437 1.816 0.487 0.564 0.800 0.600 CA 1.573 11 residues pruned to eliminate duplicates Z: 10 10.996 1.798 0.517 0.625 0.778 0.667 CA 1.535 10 residues pruned to eliminate duplicates Z: 9 11.057 1.860 0.450 0.678 0.875 0.750 CB 1.406 9 residues pruned to eliminate duplicates Z: 11 11.505 1.871 0.637 0.557 0.800 0.800 CA 1.405 11 residues pruned to eliminate duplicates Z: 16 14.726 1.909 0.456 0.566 0.867 0.600 N 1.481 16 residues pruned to eliminate duplicates Z: 7 4.683 1.492 0.415 0.470 0.833 0.833 C 1.120 7 residues pruned to eliminate duplicates Z: 28 16.259 1.902 0.387 0.609 0.889 0.704 CB 1.204 44 residues pruned to eliminate duplicates Z: 14 12.267 1.919 0.433 0.474 0.923 0.615 CA 1.376 6 1.924 1.425 0.407 0.216 0.800 0.400 CB 0.749 ? Z: 6 5.169 1.507 0.931 0.286 0.800 0.600 CA 1.263 6 residues pruned to eliminate duplicates Z: 23 13.901 1.890 0.467 0.492 0.818 0.591 CB 1.317 23 residues pruned to eliminate duplicates Z: 10 11.468 2.012 0.503 0.530 1.000 0.333 CB 1.227 10 residues pruned to eliminate duplicates Z: 12 15.415 2.061 0.535 0.669 1.000 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 44 35.186 2.054 0.701 0.624 0.930 0.558 CA 1.468 55 residues pruned to eliminate duplicates Z: 6 4.212 1.470 0.685 0.447 0.800 0.600 N 1.004 6 residues pruned to eliminate duplicates Z: 14 8.912 1.804 0.644 0.432 0.846 0.462 CB 1.057 12 residues pruned to eliminate duplicates Z: 8 6.652 1.708 0.221 0.440 0.857 0.000 N 1.496 Z: 6 4.798 1.676 0.247 0.480 0.800 0.200 N 1.309 5 residues pruned to eliminate duplicates Z: 6 4.469 1.286 0.522 0.599 1.000 0.400 CA 0.929 6 residues pruned to eliminate duplicates Z: 15 8.627 1.940 0.440 0.385 0.929 0.429 CA 1.005 14 residues pruned to eliminate duplicates Z: 21 30.291 2.139 0.575 0.862 0.950 0.750 CA 1.554 21 residues pruned to eliminate duplicates Z: 71 42.601 2.143 0.647 0.580 0.914 0.600 CA 1.461 71 residues pruned to eliminate duplicates Z: 38 32.693 2.074 0.715 0.607 0.973 0.649 CA 1.402 38 residues pruned to eliminate duplicates Z: 42 32.934 2.071 0.726 0.676 0.927 0.561 CA 1.321 42 residues pruned to eliminate duplicates Z: 72 33.168 2.039 0.521 0.505 0.915 0.521 CA 1.380 72 residues pruned to eliminate duplicates Z: 78 45.579 2.127 0.613 0.574 0.961 0.636 CA 1.467 78 residues pruned to eliminate duplicates Z: 39 26.308 2.052 0.625 0.582 0.921 0.579 CA 1.283 39 residues pruned to eliminate duplicates Z: 65 43.580 2.144 0.685 0.580 0.922 0.594 CA 1.514 65 residues pruned to eliminate duplicates Z: 36 29.431 2.059 0.652 0.623 0.971 0.657 CA 1.341 36 residues pruned to eliminate duplicates Z: 39 34.886 2.120 0.685 0.717 0.895 0.632 CA 1.455 39 residues pruned to eliminate duplicates Z: 40 28.668 2.077 0.584 0.565 0.949 0.590 CA 1.382 40 residues pruned to eliminate duplicates Z: 38 42.423 2.154 0.817 0.734 0.919 0.514 CA 1.571 38 residues pruned to eliminate duplicates Z: 69 39.737 2.122 0.685 0.545 0.912 0.574 CA 1.414 69 residues pruned to eliminate duplicates Z: 38 26.866 2.035 0.643 0.576 0.946 0.432 CA 1.298 38 residues pruned to eliminate duplicates Z: 63 44.635 2.134 0.714 0.573 0.952 0.581 CA 1.518 63 residues pruned to eliminate duplicates Z: 44 30.475 2.026 0.696 0.534 0.953 0.512 CA 1.373 45 residues pruned to eliminate duplicates Z: 20 36.595 2.142 0.852 0.895 1.000 0.579 CA 1.517 20 residues pruned to eliminate duplicates Z: 75 45.641 2.143 0.643 0.580 0.946 0.581 CA 1.475 75 residues pruned to eliminate duplicates Z: 71 44.669 2.139 0.676 0.605 0.957 0.557 CA 1.408 71 residues pruned to eliminate duplicates Z: 82 41.581 2.102 0.586 0.547 0.901 0.506 CA 1.469 82 residues pruned to eliminate duplicates Z: 74 41.921 2.097 0.664 0.565 0.932 0.493 CA 1.416 74 residues pruned to eliminate duplicates Z: 78 43.271 2.103 0.669 0.524 0.948 0.597 CA 1.447 78 residues pruned to eliminate duplicates Z: 75 40.467 2.098 0.577 0.543 0.946 0.568 CA 1.441 75 residues pruned to eliminate duplicates Z: 48 36.152 2.081 0.684 0.661 0.957 0.660 CA 1.354 48 residues pruned to eliminate duplicates Z: 47 38.582 2.125 0.720 0.677 0.935 0.609 CA 1.415 47 residues pruned to eliminate duplicates Z: 70 45.123 2.148 0.668 0.608 0.928 0.623 CA 1.475 70 residues pruned to eliminate duplicates Z: 42 31.944 2.151 0.553 0.537 0.927 0.561 CA 1.553 42 residues pruned to eliminate duplicates Z: 72 42.090 2.123 0.666 0.549 0.930 0.563 CA 1.448 72 residues pruned to eliminate duplicates Z: 65 42.612 2.138 0.710 0.573 0.953 0.625 CA 1.425 65 residues pruned to eliminate duplicates Z: 64 46.708 2.142 0.727 0.572 0.984 0.603 CA 1.508 64 residues pruned to eliminate duplicates Z: 66 41.065 2.126 0.697 0.551 0.892 0.554 CA 1.505 66 residues pruned to eliminate duplicates Z: 73 44.163 2.121 0.641 0.592 0.944 0.569 CA 1.450 73 residues pruned to eliminate duplicates Z: 71 46.270 2.117 0.622 0.613 0.971 0.671 CA 1.490 71 residues pruned to eliminate duplicates Z: 64 40.278 2.126 0.710 0.570 0.889 0.571 CA 1.469 64 residues pruned to eliminate duplicates Z: 73 44.613 2.140 0.691 0.594 0.944 0.528 CA 1.406 73 residues pruned to eliminate duplicates Z: 29 20.012 2.099 0.687 0.343 0.857 0.500 CA 1.478 29 residues pruned to eliminate duplicates Z: 63 46.775 2.140 0.826 0.602 0.935 0.645 CA 1.474 63 residues pruned to eliminate duplicates Z: 66 39.919 2.115 0.744 0.573 0.908 0.569 CA 1.378 66 residues pruned to eliminate duplicates Z: 70 40.457 2.120 0.651 0.537 0.913 0.478 CA 1.470 70 residues pruned to eliminate duplicates Z: 71 42.499 2.122 0.723 0.575 0.886 0.471 CA 1.459 71 residues pruned to eliminate duplicates Z: 69 48.184 2.161 0.687 0.609 0.956 0.559 CA 1.512 68 residues pruned to eliminate duplicates Z: 23 24.548 2.152 0.664 0.569 0.909 0.545 CA 1.504 23 residues pruned to eliminate duplicates Z: 28 16.671 2.064 0.512 0.282 0.889 0.370 CA 1.478 28 residues pruned to eliminate duplicates Z: 67 42.310 2.105 0.763 0.560 0.924 0.545 CA 1.433 67 residues pruned to eliminate duplicates Z: 68 42.487 2.123 0.706 0.573 0.866 0.478 CA 1.544 68 residues pruned to eliminate duplicates Z: 27 20.675 2.102 0.540 0.413 0.846 0.423 CA 1.622 25 residues pruned to eliminate duplicates Z: 6 2.557 1.259 0.764 0.405 1.000 0.400 N 0.569 6 residues pruned to eliminate duplicates Z: 70 45.925 2.154 0.675 0.573 0.942 0.522 CA 1.516 70 residues pruned to eliminate duplicates Z: 78 39.747 2.096 0.593 0.534 0.909 0.468 CA 1.444 79 residues pruned to eliminate duplicates Z: 73 43.292 2.136 0.737 0.569 0.903 0.556 CA 1.425 73 residues pruned to eliminate duplicates Z: 29 21.794 2.126 0.518 0.419 0.929 0.571 CA 1.495 29 residues pruned to eliminate duplicates Z: 71 44.307 2.150 0.636 0.594 0.943 0.600 CA 1.460 71 residues pruned to eliminate duplicates Z: 63 43.025 2.145 0.667 0.567 0.952 0.532 CA 1.506 63 residues pruned to eliminate duplicates Z: 22 12.795 1.972 0.446 0.287 0.810 0.429 CA 1.537 22 residues pruned to eliminate duplicates Z: 70 46.775 2.141 0.696 0.610 0.928 0.609 CA 1.506 70 residues pruned to eliminate duplicates Z: 21 19.864 2.170 0.617 0.514 0.800 0.600 CA 1.561 21 residues pruned to eliminate duplicates Z: 33 19.505 2.086 0.560 0.404 0.812 0.531 CA 1.442 33 residues pruned to eliminate duplicates Z: 71 43.583 2.136 0.690 0.578 0.943 0.543 CA 1.420 71 residues pruned to eliminate duplicates Z: 25 22.839 2.144 0.471 0.483 0.917 0.583 CA 1.642 25 residues pruned to eliminate duplicates Z: 26 19.731 2.144 0.479 0.437 0.840 0.520 CA 1.582 26 residues pruned to eliminate duplicates Z: 82 41.852 2.090 0.633 0.524 0.914 0.444 CA 1.457 82 residues pruned to eliminate duplicates Z: 26 19.881 2.091 0.330 0.471 0.920 0.640 CA 1.599 26 residues pruned to eliminate duplicates Z: 22 15.097 2.019 0.423 0.396 0.905 0.524 CA 1.414 22 residues pruned to eliminate duplicates Z: 23 11.042 1.922 0.317 0.340 0.818 0.545 CA 1.354 23 residues pruned to eliminate duplicates Z: 23 11.446 1.908 0.243 0.361 0.909 0.500 CA 1.314 23 residues pruned to eliminate duplicates Z: 23 13.900 1.971 0.318 0.378 0.909 0.591 CA 1.428 23 residues pruned to eliminate duplicates Z: 24 13.316 1.912 0.428 0.388 0.870 0.522 CA 1.317 24 residues pruned to eliminate duplicates Z: 18 11.877 1.999 0.378 0.321 1.000 0.706 CA 1.273 18 residues pruned to eliminate duplicates Z: 24 10.751 1.817 0.444 0.341 0.783 0.435 CA 1.298 24 residues pruned to eliminate duplicates Z: 21 9.379 1.911 0.328 0.284 0.850 0.600 CB 1.240 21 residues pruned to eliminate duplicates Z: 46 19.899 2.014 0.431 0.374 0.911 0.600 CB 1.293 46 residues pruned to eliminate duplicates Z: 19 13.257 1.892 0.451 0.416 1.000 0.778 CA 1.242 19 residues pruned to eliminate duplicates Z: 24 13.198 1.909 0.316 0.387 0.913 0.478 CA 1.352 24 residues pruned to eliminate duplicates Z: 25 12.445 1.848 0.325 0.333 0.917 0.458 CA 1.359 25 residues pruned to eliminate duplicates Z: 20 14.813 2.053 0.518 0.423 0.895 0.579 CA 1.320 20 residues pruned to eliminate duplicates Z: 20 13.103 2.024 0.403 0.354 0.895 0.421 CA 1.385 20 residues pruned to eliminate duplicates Z: 22 14.291 1.903 0.480 0.357 0.952 0.524 CA 1.356 22 residues pruned to eliminate duplicates Z: 53 22.823 1.975 0.537 0.361 0.865 0.481 CA 1.399 53 residues pruned to eliminate duplicates 6 1.369 1.556 -0.045 0.462 1.000 0.800 CB 0.428 ? Z: 6 5.005 1.653 0.732 0.442 0.800 0.400 CA 1.038 Z: 6 10.018 1.897 0.623 0.460 1.000 0.800 CA 1.515 Z: 26 17.557 1.989 0.542 0.480 0.880 0.480 CB 1.327 38 residues pruned to eliminate duplicates Z: 7 7.845 1.458 0.790 0.516 1.000 0.833 C 1.208 Z: 6 7.834 1.636 0.566 0.548 1.000 0.600 CA 1.305 6 residues pruned to eliminate duplicates Z: 24 19.302 2.074 0.591 0.522 0.870 0.609 CB 1.372 24 residues pruned to eliminate duplicates Z: 24 23.125 2.075 0.606 0.560 0.957 0.609 CB 1.427 31 residues pruned to eliminate duplicates Z: 29 19.947 2.052 0.670 0.456 0.893 0.500 CB 1.289 29 residues pruned to eliminate duplicates Z: 32 18.598 1.989 0.670 0.462 0.871 0.516 CB 1.201 32 residues pruned to eliminate duplicates Z: 30 20.196 2.032 0.598 0.480 0.897 0.552 CB 1.315 30 residues pruned to eliminate duplicates Z: 29 21.285 2.032 0.735 0.474 0.893 0.536 CB 1.311 29 residues pruned to eliminate duplicates Z: 6 2.848 1.557 0.338 0.382 0.800 0.400 CA 0.866 6 residues pruned to eliminate duplicates Z: 11 8.643 1.912 0.431 0.483 0.800 0.500 CB 1.270 11 residues pruned to eliminate duplicates Z: 9 12.052 1.933 0.861 0.579 0.875 0.500 CB 1.254 10 residues pruned to eliminate duplicates Z: 12 10.239 1.954 0.370 0.600 0.909 0.636 CB 1.153 12 residues pruned to eliminate duplicates Z: 22 11.515 1.905 0.332 0.377 0.952 0.429 CB 1.186 22 residues pruned to eliminate duplicates Z: 20 10.407 1.951 0.318 0.377 0.789 0.526 CA 1.340 20 residues pruned to eliminate duplicates Z: 31 16.831 2.059 0.301 0.385 0.867 0.600 CB 1.496 31 residues pruned to eliminate duplicates Z: 13 6.262 1.897 0.221 0.225 0.833 0.333 CB 1.292 13 residues pruned to eliminate duplicates Z: 31 18.347 2.055 0.408 0.372 0.900 0.467 CB 1.475 31 residues pruned to eliminate duplicates Z: 47 16.626 2.061 0.340 0.313 0.826 0.457 CB 1.322 46 residues pruned to eliminate duplicates Z: 8 11.891 1.829 0.924 0.571 0.857 0.429 CA 1.391 8 residues pruned to eliminate duplicates Z: 14 16.387 2.202 0.380 0.461 0.923 0.538 CB 1.687 14 residues pruned to eliminate duplicates Z: 46 21.091 2.104 0.493 0.355 0.800 0.444 CB 1.463 46 residues pruned to eliminate duplicates Z: 7 5.182 1.737 0.454 0.453 0.833 0.500 CA 1.055 7 residues pruned to eliminate duplicates Z: 30 13.005 2.000 0.460 0.323 0.793 0.345 CB 1.267 30 residues pruned to eliminate duplicates Z: 26 14.796 2.027 0.439 0.327 0.800 0.400 CB 1.532 26 residues pruned to eliminate duplicates Z: 46 17.066 2.071 0.340 0.337 0.800 0.489 CB 1.370 46 residues pruned to eliminate duplicates Z: 8 5.616 1.978 0.231 0.461 0.714 0.571 CB 1.270 8 residues pruned to eliminate duplicates Z: 13 7.435 2.204 0.307 0.132 0.833 0.333 CB 1.416 12 residues pruned to eliminate duplicates Z: 6 5.491 1.877 0.451 0.600 0.600 0.200 CB 1.367 6 residues pruned to eliminate duplicates Z: 18 9.124 2.090 0.357 0.226 0.824 0.235 CB 1.305 17 residues pruned to eliminate duplicates Z: 13 6.023 2.168 0.125 0.236 0.750 0.333 CB 1.293 13 residues pruned to eliminate duplicates Z: 10 5.202 2.250 0.034 0.189 0.889 0.333 CB 1.216 10 residues pruned to eliminate duplicates Z: 16 8.054 2.001 0.307 0.196 0.867 0.333 CB 1.318 16 residues pruned to eliminate duplicates Z: 13 6.772 2.186 0.109 0.234 0.917 0.250 CB 1.198 13 residues pruned to eliminate duplicates Z: 26 19.333 2.209 0.594 0.409 0.840 0.680 CB 1.438 24 residues pruned to eliminate duplicates Z: 6 3.696 1.688 0.156 0.343 1.000 0.800 CA 1.004 6 residues pruned to eliminate duplicates Z: 52 30.849 2.133 0.700 0.406 0.902 0.471 CB 1.458 25 residues pruned to eliminate duplicates Z: 11 5.962 1.550 0.424 0.438 0.900 0.300 CA 1.012 11 residues pruned to eliminate duplicates Z: 47 31.883 2.178 0.570 0.445 0.913 0.587 CB 1.594 47 residues pruned to eliminate duplicates Z: 49 36.961 2.129 0.751 0.435 0.938 0.562 CB 1.634 27 residues pruned to eliminate duplicates 6 1.368 1.174 0.768 0.268 0.600 0.200 C 0.640 ? Z: 6 3.006 1.624 0.260 0.249 0.800 0.600 CB 1.096 Z: 6 5.636 1.693 0.589 0.434 1.000 0.800 N 1.003 Z: 25 23.061 2.093 0.495 0.553 0.875 0.667 CB 1.633 25 residues pruned to eliminate duplicates Z: 28 25.792 2.030 0.591 0.642 0.926 0.667 CB 1.454 28 residues pruned to eliminate duplicates Z: 49 34.335 2.180 0.680 0.460 0.917 0.562 CB 1.538 49 residues pruned to eliminate duplicates Z: 49 32.390 2.170 0.636 0.451 0.896 0.562 CB 1.545 49 residues pruned to eliminate duplicates Z: 28 25.358 2.039 0.499 0.691 0.889 0.815 CB 1.508 28 residues pruned to eliminate duplicates Z: 30 21.291 2.021 0.272 0.621 0.931 0.759 CB 1.474 30 residues pruned to eliminate duplicates Z: 29 24.323 2.054 0.479 0.663 0.893 0.714 CB 1.458 29 residues pruned to eliminate duplicates Z: 27 24.391 2.063 0.501 0.671 0.923 0.769 CB 1.430 27 residues pruned to eliminate duplicates Z: 31 30.772 2.009 0.680 0.694 0.933 0.800 CB 1.494 31 residues pruned to eliminate duplicates Z: 28 24.533 2.107 0.385 0.560 0.926 0.630 CB 1.649 28 residues pruned to eliminate duplicates Z: 26 25.449 2.034 0.675 0.687 0.960 0.800 CB 1.311 26 residues pruned to eliminate duplicates Z: 31 28.967 2.010 0.708 0.669 0.933 0.700 CB 1.412 31 residues pruned to eliminate duplicates Z: 51 33.417 2.108 0.783 0.467 0.820 0.600 CB 1.585 51 residues pruned to eliminate duplicates Z: 29 25.468 2.057 0.706 0.636 0.821 0.643 CB 1.470 29 residues pruned to eliminate duplicates Z: 49 38.033 2.171 0.817 0.464 0.917 0.417 CB 1.576 59 residues pruned to eliminate duplicates Z: 17 32.381 2.147 0.970 0.902 1.000 0.500 CB 1.365 17 residues pruned to eliminate duplicates Z: 53 36.728 2.128 0.785 0.493 0.923 0.596 CB 1.462 53 residues pruned to eliminate duplicates Z: 53 39.236 2.186 0.776 0.494 0.904 0.596 CB 1.559 30 residues pruned to eliminate duplicates Z: 17 24.436 2.199 0.969 0.682 0.875 0.625 CB 1.365 17 residues pruned to eliminate duplicates Z: 30 25.539 2.046 0.780 0.517 0.828 0.586 CB 1.547 30 residues pruned to eliminate duplicates Z: 49 36.455 2.196 0.855 0.440 0.875 0.500 CB 1.570 49 residues pruned to eliminate duplicates Z: 51 32.398 2.159 0.796 0.411 0.860 0.500 CB 1.509 51 residues pruned to eliminate duplicates Z: 6 4.044 1.455 1.142 0.255 0.800 0.600 CA 0.961 Z: 6 5.350 1.645 1.144 0.366 0.800 0.200 CA 0.979 Z: 14 10.401 2.133 0.615 0.235 0.846 0.231 CB 1.347 14 residues pruned to eliminate duplicates Z: 18 11.348 1.982 0.716 0.183 1.000 0.294 CB 1.183 18 residues pruned to eliminate duplicates Z: 51 32.889 2.151 0.803 0.411 0.860 0.620 CB 1.530 51 residues pruned to eliminate duplicates Z: 54 29.387 2.104 0.753 0.394 0.830 0.585 CB 1.475 54 residues pruned to eliminate duplicates Z: 62 33.376 2.082 0.721 0.462 0.885 0.557 CB 1.400 74 residues pruned to eliminate duplicates Z: 9 8.561 1.795 0.344 0.743 0.875 0.375 CB 1.154 9 residues pruned to eliminate duplicates Z: 61 32.344 2.055 0.782 0.467 0.850 0.517 CB 1.387 61 residues pruned to eliminate duplicates Z: 54 37.595 2.161 0.756 0.492 0.925 0.491 CB 1.484 54 residues pruned to eliminate duplicates Z: 40 23.690 2.134 0.860 0.398 0.846 0.538 CB 1.258 40 residues pruned to eliminate duplicates Z: 54 35.821 2.174 0.756 0.472 0.906 0.547 CB 1.464 54 residues pruned to eliminate duplicates Z: 25 11.460 1.880 0.640 0.394 0.750 0.458 CB 1.132 25 residues pruned to eliminate duplicates Z: 8 10.654 1.748 0.750 0.538 1.000 0.571 CA 1.268 8 residues pruned to eliminate duplicates Z: 13 9.400 1.862 0.473 0.459 0.833 0.500 CB 1.238 13 residues pruned to eliminate duplicates Z: 24 11.298 1.886 0.611 0.387 0.739 0.435 CB 1.182 24 residues pruned to eliminate duplicates Z: 6 4.853 1.842 0.626 0.474 1.000 0.600 CB 0.744 6 residues pruned to eliminate duplicates Z: 11 9.714 2.030 0.764 0.412 0.800 0.700 CB 1.175 11 residues pruned to eliminate duplicates Z: 11 10.673 2.010 0.734 0.420 0.900 0.500 CB 1.169 11 residues pruned to eliminate duplicates Z: 23 10.898 1.986 0.501 0.376 0.727 0.455 CB 1.223 23 residues pruned to eliminate duplicates Z: 24 11.610 1.905 0.639 0.389 0.739 0.478 CB 1.180 24 residues pruned to eliminate duplicates Z: 11 8.447 1.838 0.567 0.502 0.900 0.600 CB 1.029 11 residues pruned to eliminate duplicates Z: 22 12.824 2.016 0.695 0.371 0.810 0.429 CB 1.161 23 residues pruned to eliminate duplicates Z: 6 5.558 1.616 0.395 0.693 0.800 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 23 9.045 1.947 0.602 0.339 0.682 0.409 CB 1.081 23 residues pruned to eliminate duplicates Z: 19 7.906 1.803 0.572 0.272 0.778 0.500 CB 1.095 12 residues pruned to eliminate duplicates Z: 6 7.742 1.786 0.724 0.681 0.800 0.600 CB 1.190 6 residues pruned to eliminate duplicates Z: 13 13.429 1.991 0.694 0.475 0.917 0.500 CA 1.286 12 residues pruned to eliminate duplicates Z: 7 3.468 1.500 0.368 0.309 0.833 0.667 CB 1.023 7 residues pruned to eliminate duplicates Z: 11 11.816 2.041 0.543 0.546 0.900 0.500 CA 1.260 11 residues pruned to eliminate duplicates Z: 14 10.509 1.949 0.612 0.522 0.769 0.462 CB 1.180 14 residues pruned to eliminate duplicates Z: 22 39.354 2.269 0.680 0.865 1.000 0.905 CB 1.651 22 residues pruned to eliminate duplicates Z: 49 36.156 2.237 0.373 0.636 0.917 0.625 CB 1.632 49 residues pruned to eliminate duplicates Z: 64 39.940 2.222 0.540 0.534 0.921 0.587 CB 1.545 29 residues pruned to eliminate duplicates Z: 20 35.692 2.278 0.441 0.913 1.000 0.737 CA 1.765 20 residues pruned to eliminate duplicates Z: 44 36.629 2.227 0.468 0.655 0.930 0.674 CB 1.591 44 residues pruned to eliminate duplicates Z: 40 33.374 2.207 0.436 0.616 0.949 0.692 CB 1.593 40 residues pruned to eliminate duplicates Z: 70 45.828 2.236 0.541 0.582 0.899 0.594 CB 1.647 70 residues pruned to eliminate duplicates Z: 65 47.908 2.239 0.631 0.577 0.953 0.672 CB 1.598 17 residues pruned to eliminate duplicates Z: 20 31.695 2.221 0.698 0.861 0.947 0.789 CB 1.495 20 residues pruned to eliminate duplicates Z: 49 34.908 2.162 0.527 0.591 0.917 0.562 CB 1.526 50 residues pruned to eliminate duplicates Z: 24 35.642 2.174 0.559 0.845 0.957 0.609 CB 1.705 24 residues pruned to eliminate duplicates Z: 69 38.525 2.201 0.482 0.531 0.926 0.529 CB 1.499 69 residues pruned to eliminate duplicates Z: 39 34.714 2.108 0.652 0.573 0.921 0.526 CA 1.636 39 residues pruned to eliminate duplicates Z: 69 46.931 2.221 0.636 0.566 0.956 0.544 CB 1.538 69 residues pruned to eliminate duplicates Z: 46 41.441 2.155 0.634 0.637 0.978 0.622 CB 1.579 46 residues pruned to eliminate duplicates Z: 54 44.353 2.264 0.687 0.589 0.906 0.528 CB 1.618 54 residues pruned to eliminate duplicates Z: 48 40.874 2.217 0.747 0.560 0.936 0.553 CB 1.550 48 residues pruned to eliminate duplicates Z: 55 42.999 2.241 0.723 0.556 0.926 0.519 CB 1.550 55 residues pruned to eliminate duplicates Z: 63 38.618 2.201 0.641 0.526 0.887 0.565 CB 1.491 63 residues pruned to eliminate duplicates Z: 43 40.921 2.239 0.691 0.626 0.952 0.571 CB 1.555 43 residues pruned to eliminate duplicates Z: 65 39.659 2.241 0.603 0.548 0.859 0.500 CB 1.532 65 residues pruned to eliminate duplicates Z: 59 41.949 2.258 0.591 0.595 0.931 0.517 CB 1.503 59 residues pruned to eliminate duplicates Z: 60 43.491 2.268 0.625 0.571 0.898 0.508 CB 1.597 60 residues pruned to eliminate duplicates Z: 63 42.921 2.213 0.657 0.543 0.887 0.629 CB 1.606 62 residues pruned to eliminate duplicates Z: 11 9.239 1.977 0.126 0.650 0.900 0.800 CB 1.268 11 residues pruned to eliminate duplicates Z: 56 42.878 2.230 0.624 0.570 0.927 0.509 CB 1.610 56 residues pruned to eliminate duplicates Z: 31 23.542 2.234 0.546 0.426 0.967 0.500 CB 1.390 31 residues pruned to eliminate duplicates Z: 62 43.286 2.244 0.587 0.551 0.934 0.607 CB 1.584 62 residues pruned to eliminate duplicates Z: 64 41.228 2.243 0.497 0.530 0.937 0.540 CB 1.603 64 residues pruned to eliminate duplicates Z: 11 12.029 1.932 0.528 0.644 0.900 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 63 41.033 2.241 0.640 0.513 0.903 0.597 CB 1.551 63 residues pruned to eliminate duplicates Z: 53 41.311 2.198 0.686 0.598 0.885 0.596 CB 1.592 53 residues pruned to eliminate duplicates Z: 62 41.863 2.260 0.516 0.531 0.918 0.639 CB 1.653 62 residues pruned to eliminate duplicates Z: 16 15.939 2.252 0.380 0.521 0.867 0.467 CB 1.497 16 residues pruned to eliminate duplicates Z: 31 21.624 2.210 0.568 0.462 0.900 0.367 CB 1.316 31 residues pruned to eliminate duplicates Z: 28 21.427 2.054 0.762 0.446 0.889 0.519 CB 1.355 28 residues pruned to eliminate duplicates Z: 34 23.986 2.139 0.651 0.429 0.939 0.424 CB 1.355 34 residues pruned to eliminate duplicates Z: 58 41.748 2.195 0.601 0.555 0.947 0.702 CB 1.575 58 residues pruned to eliminate duplicates Z: 23 16.567 2.175 0.673 0.313 0.864 0.545 CB 1.382 23 residues pruned to eliminate duplicates Z: 63 45.515 2.236 0.599 0.552 0.952 0.597 CB 1.615 63 residues pruned to eliminate duplicates Z: 55 39.100 2.262 0.577 0.585 0.889 0.556 CB 1.546 55 residues pruned to eliminate duplicates Z: 68 40.346 2.152 0.572 0.500 0.910 0.507 CB 1.600 68 residues pruned to eliminate duplicates Z: 71 47.184 2.203 0.667 0.585 0.929 0.600 CB 1.523 71 residues pruned to eliminate duplicates Z: 38 27.110 2.183 0.568 0.508 0.892 0.459 CB 1.449 38 residues pruned to eliminate duplicates Z: 66 49.513 2.223 0.742 0.587 0.969 0.554 CB 1.506 68 residues pruned to eliminate duplicates Z: 7 11.141 1.673 1.478 0.422 0.833 0.333 N 1.427 Z: 62 40.452 2.244 0.570 0.541 0.918 0.574 CB 1.539 62 residues pruned to eliminate duplicates Z: 27 25.341 2.178 0.722 0.397 0.962 0.615 CB 1.536 34 residues pruned to eliminate duplicates Z: 20 20.208 2.262 0.951 0.323 0.842 0.368 CB 1.514 20 residues pruned to eliminate duplicates Z: 11 8.554 1.831 0.709 0.388 0.900 0.400 CA 1.081 11 residues pruned to eliminate duplicates Z: 63 46.619 2.253 0.617 0.586 0.952 0.581 CB 1.572 63 residues pruned to eliminate duplicates Z: 62 44.635 2.271 0.575 0.588 0.934 0.623 CB 1.571 62 residues pruned to eliminate duplicates Z: 67 38.457 2.214 0.429 0.574 0.909 0.576 CB 1.533 67 residues pruned to eliminate duplicates Z: 42 37.806 2.172 0.531 0.654 0.951 0.732 CB 1.618 42 residues pruned to eliminate duplicates Z: 65 43.610 2.202 0.527 0.571 0.953 0.656 CB 1.588 65 residues pruned to eliminate duplicates Z: 15 8.274 1.879 0.584 0.158 0.786 0.571 CB 1.438 15 residues pruned to eliminate duplicates Z: 6 4.556 1.696 0.604 0.308 0.800 0.200 CB 1.159 6 residues pruned to eliminate duplicates Z: 38 18.445 1.937 0.471 0.359 0.811 0.459 CA 1.527 38 residues pruned to eliminate duplicates Z: 19 10.701 1.928 0.287 0.312 0.833 0.444 CB 1.502 19 residues pruned to eliminate duplicates Z: 20 10.910 1.881 0.452 0.266 0.842 0.368 CA 1.421 20 residues pruned to eliminate duplicates Z: 15 7.146 1.724 0.616 0.306 0.786 0.286 CB 1.083 15 residues pruned to eliminate duplicates Z: 38 15.638 1.907 0.455 0.315 0.811 0.514 CA 1.403 38 residues pruned to eliminate duplicates Z: 38 17.127 1.944 0.524 0.312 0.784 0.432 CA 1.493 38 residues pruned to eliminate duplicates Z: 37 18.272 1.946 0.558 0.309 0.833 0.472 CA 1.490 37 residues pruned to eliminate duplicates Z: 17 10.217 1.947 0.391 0.297 0.875 0.375 CA 1.353 17 residues pruned to eliminate duplicates Z: 38 16.885 1.878 0.580 0.353 0.838 0.514 CA 1.310 38 residues pruned to eliminate duplicates Z: 25 16.581 1.974 0.566 0.358 0.875 0.500 CA 1.458 25 residues pruned to eliminate duplicates Z: 33 13.364 1.918 0.547 0.260 0.750 0.406 CB 1.398 33 residues pruned to eliminate duplicates Z: 10 4.661 1.835 0.163 0.308 0.667 0.444 CA 1.352 10 residues pruned to eliminate duplicates Z: 26 13.927 1.955 0.265 0.388 0.920 0.600 CA 1.378 24 residues pruned to eliminate duplicates Z: 8 6.873 1.750 0.421 0.590 0.857 0.429 CA 1.118 8 residues pruned to eliminate duplicates Z: 15 10.724 1.923 0.427 0.355 0.929 0.643 CA 1.315 15 residues pruned to eliminate duplicates Z: 12 12.751 1.936 0.770 0.348 0.909 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 16 9.615 1.919 0.319 0.284 0.867 0.600 CA 1.444 16 residues pruned to eliminate duplicates Z: 35 14.800 1.928 0.370 0.300 0.824 0.500 CA 1.459 35 residues pruned to eliminate duplicates Z: 28 14.942 1.961 0.432 0.341 0.815 0.556 CA 1.493 28 residues pruned to eliminate duplicates Z: 21 12.155 1.865 0.534 0.328 0.850 0.650 CA 1.351 21 residues pruned to eliminate duplicates Z: 25 17.356 1.989 0.614 0.378 0.875 0.583 CA 1.436 27 residues pruned to eliminate duplicates Z: 6 3.816 1.418 0.408 0.387 1.000 0.600 CA 0.964 6 residues pruned to eliminate duplicates Z: 24 18.063 1.986 0.633 0.418 0.870 0.652 CA 1.455 25 residues pruned to eliminate duplicates Z: 26 17.279 1.966 0.678 0.344 0.840 0.640 CA 1.478 25 residues pruned to eliminate duplicates 6 1.456 1.849 0.103 0.279 0.600 0.400 CB 0.683 ? 6 1.674 1.721 0.117 0.119 0.800 0.200 CA 0.785 ? Z: 19 27.233 1.991 0.840 0.887 0.889 0.333 CB 1.422 19 residues pruned to eliminate duplicates Z: 11 5.343 1.591 0.548 0.387 0.700 0.500 CB 1.105 11 residues pruned to eliminate duplicates Z: 50 44.136 2.051 0.777 0.692 0.980 0.714 CB 1.482 25 residues pruned to eliminate duplicates Z: 16 13.282 1.692 0.723 0.643 0.867 0.533 CA 1.188 16 residues pruned to eliminate duplicates Z: 63 40.017 2.017 0.685 0.579 0.952 0.710 CA 1.457 46 residues pruned to eliminate duplicates Z: 10 15.556 1.881 0.572 0.883 1.000 0.889 CA 1.268 10 residues pruned to eliminate duplicates Z: 66 42.140 2.004 0.737 0.605 0.908 0.569 CB 1.497 66 residues pruned to eliminate duplicates Z: 61 46.219 2.080 0.736 0.634 0.933 0.650 CB 1.561 61 residues pruned to eliminate duplicates Z: 47 27.301 1.895 0.645 0.565 0.913 0.609 CA 1.329 47 residues pruned to eliminate duplicates Z: 52 32.043 1.948 0.633 0.607 0.882 0.529 CA 1.444 52 residues pruned to eliminate duplicates Z: 40 32.125 1.934 0.776 0.664 0.923 0.487 CB 1.393 40 residues pruned to eliminate duplicates Z: 21 21.950 1.946 0.767 0.673 0.850 0.500 CB 1.431 21 residues pruned to eliminate duplicates Z: 66 41.275 2.034 0.740 0.589 0.908 0.523 CB 1.463 66 residues pruned to eliminate duplicates Z: 28 25.758 1.977 0.722 0.645 0.926 0.556 CB 1.374 28 residues pruned to eliminate duplicates Z: 65 45.513 2.032 0.729 0.650 0.906 0.609 CB 1.554 65 residues pruned to eliminate duplicates Z: 51 44.436 2.036 0.813 0.680 0.940 0.460 CB 1.536 50 residues pruned to eliminate duplicates Z: 14 17.731 1.906 0.797 0.718 1.000 0.615 CA 1.179 14 residues pruned to eliminate duplicates Z: 22 23.008 1.928 0.793 0.620 0.952 0.429 CA 1.362 22 residues pruned to eliminate duplicates Z: 19 25.969 1.956 1.035 0.665 0.944 0.611 CA 1.397 19 residues pruned to eliminate duplicates Z: 22 27.660 2.014 0.878 0.621 1.000 0.524 CA 1.424 22 residues pruned to eliminate duplicates Z: 38 20.760 1.960 0.619 0.348 0.892 0.541 CA 1.422 38 residues pruned to eliminate duplicates Z: 21 18.989 2.033 0.637 0.380 1.000 0.500 CA 1.450 21 residues pruned to eliminate duplicates Z: 21 18.284 2.060 0.755 0.363 0.900 0.500 CA 1.455 21 residues pruned to eliminate duplicates Z: 20 18.079 2.029 0.846 0.344 1.000 0.579 CA 1.312 20 residues pruned to eliminate duplicates Z: 20 19.308 2.030 0.683 0.391 1.000 0.579 CA 1.456 20 residues pruned to eliminate duplicates Z: 21 15.006 2.016 0.606 0.355 0.850 0.550 CB 1.427 21 residues pruned to eliminate duplicates Z: 20 15.982 2.060 0.668 0.347 0.842 0.526 CB 1.497 20 residues pruned to eliminate duplicates Z: 20 16.227 2.021 0.633 0.434 0.842 0.579 CA 1.434 20 residues pruned to eliminate duplicates Z: 37 27.661 2.021 0.672 0.531 0.889 0.611 CA 1.489 37 residues pruned to eliminate duplicates Z: 13 17.676 2.093 0.893 0.493 0.917 0.667 CA 1.414 13 residues pruned to eliminate duplicates Z: 21 11.943 1.991 0.767 0.427 0.750 0.500 CA 1.092 21 residues pruned to eliminate duplicates Z: 22 16.995 1.902 0.680 0.569 0.905 0.619 CA 1.199 22 residues pruned to eliminate duplicates Z: 47 31.575 2.049 0.540 0.543 0.935 0.739 CA 1.513 47 residues pruned to eliminate duplicates Z: 40 35.600 2.091 0.613 0.596 1.000 0.692 CA 1.542 39 residues pruned to eliminate duplicates Z: 6 11.541 1.934 1.015 0.457 1.000 0.800 CA 1.384 Z: 6 4.207 1.499 0.251 0.440 1.000 0.600 N 1.067 Z: 29 25.661 2.077 0.435 0.657 0.929 0.857 CA 1.516 35 residues pruned to eliminate duplicates Z: 46 30.403 2.057 0.609 0.495 0.911 0.689 CA 1.510 46 residues pruned to eliminate duplicates Z: 31 25.297 2.051 0.458 0.596 0.933 0.700 CA 1.510 35 residues pruned to eliminate duplicates Z: 20 26.804 2.008 0.479 0.899 0.947 0.737 CB 1.562 21 residues pruned to eliminate duplicates Z: 22 31.731 1.918 0.765 0.880 1.000 0.905 CB 1.483 20 residues pruned to eliminate duplicates Z: 17 24.578 2.009 0.384 0.879 1.000 0.875 CB 1.603 17 residues pruned to eliminate duplicates Z: 41 30.020 2.062 0.635 0.558 0.900 0.725 CA 1.478 41 residues pruned to eliminate duplicates Z: 35 28.688 2.018 0.570 0.591 0.882 0.647 CA 1.612 35 residues pruned to eliminate duplicates Z: 29 25.537 2.034 0.416 0.626 0.893 0.714 CA 1.667 29 residues pruned to eliminate duplicates Z: 29 27.124 2.081 0.375 0.668 0.964 0.750 CB 1.591 29 residues pruned to eliminate duplicates Z: 29 30.728 2.085 0.445 0.698 0.964 0.857 CB 1.668 29 residues pruned to eliminate duplicates Z: 32 23.322 2.035 0.450 0.631 0.839 0.677 CB 1.497 32 residues pruned to eliminate duplicates Z: 25 29.422 2.097 0.537 0.731 1.000 0.833 CB 1.513 25 residues pruned to eliminate duplicates Z: 30 33.301 2.016 0.653 0.668 0.966 0.759 CA 1.645 28 residues pruned to eliminate duplicates Z: 22 28.953 1.939 0.710 0.861 1.000 0.571 CB 1.400 22 residues pruned to eliminate duplicates Z: 8 10.981 1.782 0.733 0.719 0.857 0.429 O 1.286 Z: 9 10.215 1.824 0.333 0.790 0.875 0.375 CA 1.316 8 residues pruned to eliminate duplicates Z: 10 12.792 1.779 0.469 0.818 0.889 0.556 CA 1.393 9 residues pruned to eliminate duplicates Z: 10 13.231 1.811 0.718 0.796 0.778 0.444 CA 1.406 10 residues pruned to eliminate duplicates Z: 10 11.565 1.787 0.340 0.793 0.889 0.444 CA 1.401 10 residues pruned to eliminate duplicates Z: 16 12.906 1.736 0.666 0.597 0.800 0.400 CA 1.313 26 residues pruned to eliminate duplicates Z: 14 9.173 1.802 0.212 0.511 0.846 0.462 CA 1.361 14 residues pruned to eliminate duplicates Z: 18 9.989 1.807 0.327 0.422 0.882 0.529 CB 1.242 18 residues pruned to eliminate duplicates Z: 14 10.854 1.803 0.476 0.478 0.846 0.538 N 1.367 14 residues pruned to eliminate duplicates Z: 19 12.036 1.860 0.323 0.423 0.889 0.444 N 1.405 19 residues pruned to eliminate duplicates Z: 19 12.083 1.801 0.396 0.439 0.889 0.611 CB 1.357 19 residues pruned to eliminate duplicates Z: 16 11.142 1.851 0.332 0.420 0.867 0.467 CA 1.464 16 residues pruned to eliminate duplicates Z: 21 12.686 1.830 0.429 0.323 0.950 0.350 CB 1.387 21 residues pruned to eliminate duplicates Z: 21 11.107 1.801 0.272 0.338 0.950 0.450 CA 1.363 21 residues pruned to eliminate duplicates Z: 24 11.890 1.761 0.404 0.296 0.913 0.304 CB 1.379 24 residues pruned to eliminate duplicates Z: 28 10.672 1.717 0.434 0.346 0.778 0.407 CB 1.268 28 residues pruned to eliminate duplicates Z: 20 9.815 1.892 0.263 0.360 0.789 0.526 CB 1.389 20 residues pruned to eliminate duplicates Z: 6 2.498 1.840 0.237 0.249 0.800 0.400 CB 0.819 6 residues pruned to eliminate duplicates Z: 20 13.278 1.836 0.347 0.373 1.000 0.421 CB 1.410 20 residues pruned to eliminate duplicates Z: 15 6.880 1.931 0.483 0.395 0.714 0.571 CB 1.005 15 residues pruned to eliminate duplicates Z: 16 7.984 1.868 0.481 0.373 0.800 0.533 CB 1.067 16 residues pruned to eliminate duplicates Z: 8 2.973 1.750 0.711 0.211 0.714 0.571 CB 0.739 8 residues pruned to eliminate duplicates Z: 12 9.643 1.890 0.338 0.489 0.909 0.636 CB 1.279 12 residues pruned to eliminate duplicates Z: 15 7.575 1.799 0.309 0.469 0.786 0.643 CB 1.130 15 residues pruned to eliminate duplicates Z: 19 8.029 1.806 0.454 0.365 0.833 0.500 CB 0.999 19 residues pruned to eliminate duplicates Z: 8 7.987 1.848 0.687 0.550 0.714 0.714 CA 1.291 8 residues pruned to eliminate duplicates Z: 11 6.710 1.805 0.413 0.436 0.800 0.800 CB 1.111 11 residues pruned to eliminate duplicates Z: 48 20.197 1.933 0.436 0.408 0.851 0.553 CB 1.374 48 residues pruned to eliminate duplicates Z: 6 3.914 1.462 0.664 0.330 0.800 0.400 CB 1.083 6 residues pruned to eliminate duplicates Z: 14 7.256 1.866 0.495 0.379 0.769 0.462 CA 1.067 14 residues pruned to eliminate duplicates Z: 13 6.876 1.909 0.333 0.404 0.833 0.500 CA 1.036 13 residues pruned to eliminate duplicates Z: 25 10.752 1.912 0.475 0.301 0.750 0.458 CB 1.296 25 residues pruned to eliminate duplicates Z: 25 13.206 1.971 0.441 0.391 0.833 0.500 CA 1.279 25 residues pruned to eliminate duplicates Z: 6 4.916 1.611 0.935 0.263 1.000 0.800 CA 0.925 Z: 6 4.721 1.852 0.658 0.376 1.000 0.600 CB 0.785 6 residues pruned to eliminate duplicates Z: 11 9.269 1.929 0.560 0.499 0.800 0.700 CB 1.218 17 residues pruned to eliminate duplicates Z: 30 15.477 1.918 0.396 0.406 0.862 0.517 CA 1.375 30 residues pruned to eliminate duplicates Z: 22 13.232 1.977 0.442 0.392 0.857 0.476 CB 1.326 22 residues pruned to eliminate duplicates Z: 51 17.102 1.846 0.445 0.379 0.800 0.500 CA 1.289 51 residues pruned to eliminate duplicates Z: 27 12.801 1.938 0.270 0.455 0.846 0.500 CB 1.262 27 residues pruned to eliminate duplicates 617 residues left after pruning, divided into chains as follows: A: 8 B: 13 C: 7 D: 6 E: 6 F: 7 G: 9 H: 14 I: 59 J: 79 K: 51 L: 8 M: 33 N: 7 O: 46 P: 8 Q: 20 R: 9 S: 13 T: 61 U: 44 V: 62 W: 47 CC for partial structure against native data = 23.21 % ------------------------------------------------------------------------------ Global autotracing cycle 16 = 0.300, Contrast = 0.394, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.454, Connect. = 0.707 for dens.mod. cycle 2 = 0.300, Contrast = 0.529, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.536, Connect. = 0.746 for dens.mod. cycle 4 = 0.300, Contrast = 0.544, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.549, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.553, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.556, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.558, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.560, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6673 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1277 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 19.030 2.225 0.828 0.367 0.895 0.579 CA 1.384 B: 11 12.485 2.049 0.286 0.864 0.800 0.700 CA 1.374 C: 16 18.109 2.122 0.345 0.871 1.000 0.800 CB 1.195 D: 15 12.655 2.170 0.091 0.889 0.857 0.786 CB 1.200 15 residues pruned to eliminate duplicates E: 20 35.436 2.272 0.605 0.874 0.947 0.789 CB 1.713 F: 20 30.320 2.089 0.505 0.924 1.000 0.842 CA 1.554 G: 25 18.198 2.135 0.719 0.305 0.875 0.500 CA 1.437 20 residues pruned to eliminate duplicates H: 15 22.857 2.221 0.679 0.890 0.929 0.714 CB 1.269 16 residues pruned to eliminate duplicates I: 10 10.080 1.990 0.176 0.883 0.889 0.778 CB 1.168 J: 21 36.755 2.232 0.541 0.931 1.000 0.850 CA 1.670 20 residues pruned to eliminate duplicates K: 22 30.850 2.198 0.285 0.887 1.000 0.905 CA 1.720 22 residues pruned to eliminate duplicates L: 20 39.492 2.362 0.506 0.905 1.000 0.895 CA 1.813 21 residues pruned to eliminate duplicates M: 10 17.456 1.970 0.811 0.770 1.000 0.556 CA 1.284 N: 17 24.472 2.016 0.430 0.893 0.938 0.812 CA 1.625 17 residues pruned to eliminate duplicates O: 46 33.995 2.173 0.724 0.430 0.933 0.533 CA 1.559 38 residues pruned to eliminate duplicates P: 15 17.166 2.176 0.472 0.866 0.929 0.714 CB 1.129 15 residues pruned to eliminate duplicates Q: 13 36.537 2.342 0.695 0.936 1.000 0.500 CB 1.851 13 residues pruned to eliminate duplicates R: 12 17.066 2.053 0.584 0.814 0.818 0.636 CA 1.472 11 residues pruned to eliminate duplicates S: 22 32.438 2.209 0.566 0.887 0.905 0.762 CB 1.631 21 residues pruned to eliminate duplicates T: 16 40.443 2.351 0.742 0.899 1.000 0.600 CB 1.823 18 residues pruned to eliminate duplicates U: 36 19.166 2.023 0.518 0.407 0.857 0.486 CB 1.357 V: 73 36.468 2.109 0.529 0.497 0.903 0.431 CA 1.482 32 residues pruned to eliminate duplicates W: 15 15.531 2.071 0.317 0.850 0.857 0.786 CB 1.315 15 residues pruned to eliminate duplicates X: 20 9.806 1.980 0.379 0.316 0.737 0.368 CA 1.371 Y: 22 31.953 2.206 0.484 0.861 0.952 0.762 CB 1.643 22 residues pruned to eliminate duplicates Z: 8 9.449 1.876 0.248 0.616 0.857 0.571 O 1.595 Z: 78 44.663 2.124 0.575 0.582 0.922 0.571 CA 1.525 73 residues pruned to eliminate duplicates Z: 19 12.480 2.125 0.314 0.356 0.833 0.500 CB 1.476 Z: 31 18.141 2.033 0.388 0.420 0.867 0.567 CB 1.472 19 residues pruned to eliminate duplicates Z: 10 10.650 1.708 0.481 0.562 1.000 0.444 CB 1.321 8 residues pruned to eliminate duplicates Z: 22 39.872 2.212 0.689 0.896 1.000 0.762 CB 1.669 21 residues pruned to eliminate duplicates Z: 21 30.343 2.004 0.515 0.923 0.950 0.850 CA 1.654 Z: 21 22.470 1.944 0.512 0.856 0.950 0.800 CA 1.327 21 residues pruned to eliminate duplicates Z: 33 15.635 1.990 0.257 0.427 0.844 0.500 CB 1.412 33 residues pruned to eliminate duplicates Z: 9 16.802 2.145 0.565 0.786 1.000 0.750 CA 1.376 10 residues pruned to eliminate duplicates Z: 22 9.772 2.034 0.082 0.333 0.762 0.524 CB 1.528 22 residues pruned to eliminate duplicates Z: 12 15.851 2.101 0.603 0.806 0.909 0.636 CA 1.195 12 residues pruned to eliminate duplicates Z: 7 8.584 1.646 0.789 0.604 0.833 0.500 N 1.293 7 residues pruned to eliminate duplicates Z: 21 36.343 2.333 0.530 0.904 0.950 0.650 CB 1.707 21 residues pruned to eliminate duplicates Z: 15 11.506 1.805 0.422 0.408 0.929 0.500 CB 1.421 Z: 32 21.540 2.114 0.629 0.428 0.839 0.484 CB 1.444 28 residues pruned to eliminate duplicates Z: 10 13.954 1.965 0.537 0.739 1.000 0.667 CA 1.244 10 residues pruned to eliminate duplicates Z: 7 8.586 1.724 0.489 0.752 0.833 0.833 N 1.309 Z: 22 35.747 2.224 0.532 0.901 1.000 0.905 CB 1.634 22 residues pruned to eliminate duplicates Z: 25 9.443 1.890 0.506 0.343 0.792 0.458 CB 1.015 Z: 19 33.387 2.092 0.635 0.894 1.000 0.611 CA 1.651 19 residues pruned to eliminate duplicates Z: 29 12.526 1.849 0.271 0.400 0.857 0.643 CB 1.306 Z: 19 21.536 1.982 0.426 0.877 0.944 0.667 CA 1.381 19 residues pruned to eliminate duplicates Z: 13 6.025 1.609 0.273 0.430 0.833 0.500 CA 1.095 Z: 63 36.280 2.196 0.565 0.528 0.903 0.500 CB 1.444 35 residues pruned to eliminate duplicates Z: 18 21.226 1.999 0.290 0.888 0.941 0.824 CB 1.529 18 residues pruned to eliminate duplicates Z: 22 40.087 2.279 0.600 0.918 1.000 0.810 CB 1.692 22 residues pruned to eliminate duplicates Z: 19 9.455 1.820 0.449 0.431 0.778 0.500 CB 1.167 19 residues pruned to eliminate duplicates Z: 11 10.846 1.872 0.665 0.353 1.000 0.800 CA 1.291 9 residues pruned to eliminate duplicates Z: 14 9.224 2.148 0.196 0.391 0.769 0.538 CB 1.454 14 residues pruned to eliminate duplicates Z: 15 12.155 1.871 0.403 0.469 0.929 0.571 CB 1.375 Z: 23 15.703 1.949 0.429 0.303 1.000 0.545 CB 1.496 Z: 20 42.697 2.317 0.908 0.896 0.895 0.421 CB 1.774 20 residues pruned to eliminate duplicates Z: 21 15.091 1.946 0.472 0.377 0.900 0.550 CA 1.492 20 residues pruned to eliminate duplicates Z: 14 11.344 2.000 0.836 0.408 0.692 0.538 CA 1.363 Z: 67 36.224 1.928 0.740 0.556 0.879 0.485 CB 1.432 35 residues pruned to eliminate duplicates Z: 69 36.157 2.061 0.538 0.548 0.912 0.574 CA 1.447 69 residues pruned to eliminate duplicates Z: 17 12.724 2.060 0.555 0.316 0.812 0.625 CA 1.498 17 residues pruned to eliminate duplicates Z: 17 24.272 2.062 0.594 0.881 0.938 0.500 CB 1.426 17 residues pruned to eliminate duplicates Z: 23 38.997 2.162 0.835 0.888 1.000 0.636 CB 1.510 23 residues pruned to eliminate duplicates Z: 11 9.096 1.753 0.659 0.487 0.800 0.500 CB 1.253 Z: 33 21.967 2.122 0.606 0.525 0.844 0.625 CB 1.318 16 residues pruned to eliminate duplicates Z: 30 13.382 1.924 0.426 0.409 0.793 0.483 CB 1.257 7 residues pruned to eliminate duplicates Z: 12 9.405 1.828 0.378 0.513 0.909 0.636 CB 1.222 12 residues pruned to eliminate duplicates Z: 47 24.186 1.963 0.495 0.471 0.870 0.478 CA 1.439 19 residues pruned to eliminate duplicates Z: 11 13.139 1.784 0.568 0.809 0.900 0.500 CB 1.260 11 residues pruned to eliminate duplicates Z: 25 18.560 1.985 0.723 0.384 0.875 0.500 CB 1.432 24 residues pruned to eliminate duplicates Z: 28 15.868 2.018 0.687 0.453 0.815 0.556 CB 1.155 17 residues pruned to eliminate duplicates Z: 32 21.853 1.924 0.316 0.628 0.935 0.774 CB 1.470 57 residues pruned to eliminate duplicates Z: 12 11.067 1.851 0.717 0.422 0.818 0.364 CB 1.392 5 residues pruned to eliminate duplicates Z: 20 28.955 2.280 0.491 0.903 0.947 0.579 CB 1.470 20 residues pruned to eliminate duplicates Z: 10 3.699 1.843 0.278 0.165 0.667 0.444 CB 1.180 Z: 23 42.638 2.165 1.018 0.915 0.955 0.500 CB 1.541 23 residues pruned to eliminate duplicates Z: 13 12.097 1.849 0.350 0.500 1.000 0.583 CA 1.399 13 residues pruned to eliminate duplicates Z: 64 40.364 2.106 0.705 0.580 0.905 0.460 CA 1.450 64 residues pruned to eliminate duplicates Z: 21 36.238 2.077 0.739 0.899 1.000 0.800 CA 1.604 21 residues pruned to eliminate duplicates Z: 24 21.523 2.115 0.924 0.478 0.870 0.609 CB 1.297 15 residues pruned to eliminate duplicates Z: 22 15.747 2.027 0.523 0.432 0.810 0.524 CA 1.475 22 residues pruned to eliminate duplicates Z: 23 38.121 2.160 0.781 0.851 0.909 0.591 CA 1.720 23 residues pruned to eliminate duplicates Z: 11 8.775 1.833 0.425 0.815 0.700 0.500 CB 1.154 11 residues pruned to eliminate duplicates Z: 9 12.137 1.837 0.858 0.738 0.875 0.625 CA 1.160 9 residues pruned to eliminate duplicates Z: 15 24.505 2.195 0.698 0.915 1.000 0.929 CB 1.242 15 residues pruned to eliminate duplicates Z: 27 20.909 2.019 0.280 0.680 0.885 0.731 CB 1.521 27 residues pruned to eliminate duplicates Z: 9 6.317 1.992 0.198 0.436 0.750 0.375 CA 1.333 Z: 28 14.959 1.958 0.656 0.341 0.815 0.370 CA 1.295 28 residues pruned to eliminate duplicates Z: 48 28.990 2.068 0.765 0.415 0.915 0.532 CB 1.385 48 residues pruned to eliminate duplicates Z: 19 25.727 2.044 0.485 0.915 0.944 0.611 CB 1.495 19 residues pruned to eliminate duplicates Z: 16 12.225 1.887 0.439 0.442 0.867 0.600 CA 1.423 15 residues pruned to eliminate duplicates Z: 17 12.622 1.965 0.582 0.434 0.875 0.625 CB 1.242 18 residues pruned to eliminate duplicates Z: 20 35.108 2.110 0.639 0.912 1.000 0.737 CB 1.651 22 residues pruned to eliminate duplicates Z: 7 8.132 1.684 0.491 0.866 0.833 0.667 N 1.161 6 residues pruned to eliminate duplicates Z: 28 12.332 1.931 0.344 0.356 0.852 0.407 CA 1.254 28 residues pruned to eliminate duplicates Z: 22 19.531 2.001 0.494 0.522 0.952 0.619 CB 1.464 22 residues pruned to eliminate duplicates Z: 22 32.583 2.217 0.483 0.894 0.952 0.524 CB 1.628 22 residues pruned to eliminate duplicates Z: 9 14.871 1.944 0.658 0.909 0.875 0.625 CB 1.323 9 residues pruned to eliminate duplicates Z: 11 21.002 1.909 0.956 0.899 0.900 0.600 CA 1.413 11 residues pruned to eliminate duplicates Z: 19 9.960 1.827 0.304 0.285 0.944 0.500 CB 1.329 19 residues pruned to eliminate duplicates Z: 30 15.487 1.849 0.391 0.312 0.931 0.517 CB 1.479 23 residues pruned to eliminate duplicates Z: 9 5.233 1.532 0.645 0.428 0.750 0.250 N 1.054 9 residues pruned to eliminate duplicates Z: 23 19.573 2.150 0.728 0.337 0.818 0.500 CB 1.641 23 residues pruned to eliminate duplicates Z: 7 3.971 2.110 0.230 0.240 0.667 0.333 CA 1.267 7 residues pruned to eliminate duplicates Z: 15 8.134 1.926 0.350 0.341 0.857 0.500 CB 1.159 15 residues pruned to eliminate duplicates Z: 10 5.347 1.741 0.264 0.461 0.889 0.556 CB 0.948 Z: 31 22.519 1.928 0.631 0.559 0.833 0.667 CB 1.481 31 residues pruned to eliminate duplicates Z: 21 11.829 1.974 0.227 0.363 0.900 0.550 CA 1.407 21 residues pruned to eliminate duplicates Z: 27 13.541 1.924 0.497 0.371 0.769 0.615 CA 1.377 Z: 19 22.697 2.042 0.318 0.902 0.944 0.778 CB 1.501 19 residues pruned to eliminate duplicates Z: 21 26.432 2.000 0.391 0.884 0.950 0.700 CB 1.615 21 residues pruned to eliminate duplicates Z: 13 10.439 1.895 0.546 0.597 0.917 0.583 CB 1.023 13 residues pruned to eliminate duplicates Z: 73 42.524 2.104 0.599 0.591 0.958 0.472 CA 1.424 71 residues pruned to eliminate duplicates Z: 9 8.549 1.725 0.546 0.477 0.875 0.375 CB 1.326 8 residues pruned to eliminate duplicates Z: 14 11.134 1.847 0.246 0.399 0.923 0.462 N 1.618 14 residues pruned to eliminate duplicates Z: 6 6.254 1.849 0.262 0.477 1.000 0.400 N 1.228 6 residues pruned to eliminate duplicates Z: 6 6.101 1.921 0.557 0.425 0.800 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 10 10.914 1.717 0.774 0.849 0.889 0.889 CB 0.996 10 residues pruned to eliminate duplicates Z: 13 8.374 1.752 0.477 0.432 0.667 0.583 N 1.503 19 residues pruned to eliminate duplicates Z: 21 42.979 2.272 0.754 0.905 1.000 0.700 CA 1.716 21 residues pruned to eliminate duplicates Z: 12 10.027 1.991 0.383 0.578 0.818 0.727 CB 1.245 Z: 19 18.652 2.008 0.255 0.839 0.889 0.778 CB 1.465 19 residues pruned to eliminate duplicates Z: 6 3.526 1.710 -0.027 0.609 0.800 0.600 CB 1.068 6 residues pruned to eliminate duplicates Z: 7 6.142 1.514 0.959 0.520 0.833 0.500 CB 0.995 Z: 44 15.717 1.871 0.327 0.395 0.860 0.465 CA 1.254 44 residues pruned to eliminate duplicates Z: 22 30.600 2.163 0.296 0.892 1.000 0.762 CA 1.711 22 residues pruned to eliminate duplicates Z: 20 7.967 1.777 0.315 0.274 0.895 0.368 CA 1.129 20 residues pruned to eliminate duplicates Z: 25 14.081 1.921 0.336 0.310 0.917 0.542 CA 1.509 25 residues pruned to eliminate duplicates Z: 40 30.211 2.041 0.501 0.645 0.897 0.436 CB 1.537 39 residues pruned to eliminate duplicates Z: 9 18.232 1.941 0.740 0.883 1.000 0.750 CB 1.380 9 residues pruned to eliminate duplicates Z: 65 39.146 2.092 0.625 0.588 0.906 0.500 CA 1.460 65 residues pruned to eliminate duplicates Z: 52 31.722 2.134 0.639 0.405 0.882 0.490 CB 1.591 52 residues pruned to eliminate duplicates Z: 6 3.835 1.715 0.068 0.347 1.000 0.400 CB 1.105 Z: 9 7.244 1.904 0.374 0.454 1.000 0.250 CB 1.026 Z: 18 21.773 2.039 0.364 0.801 1.000 0.882 CB 1.459 18 residues pruned to eliminate duplicates Z: 20 25.284 1.918 0.767 0.863 0.947 0.474 CB 1.325 Z: 16 21.456 2.132 0.420 0.906 1.000 0.800 CB 1.301 16 residues pruned to eliminate duplicates Z: 6 6.591 1.730 0.127 0.735 1.000 1.000 CB 1.224 7 residues pruned to eliminate duplicates Z: 22 24.763 1.930 0.738 0.850 0.952 0.476 CB 1.253 22 residues pruned to eliminate duplicates Z: 22 37.889 2.223 0.704 0.905 1.000 0.524 CB 1.553 22 residues pruned to eliminate duplicates Z: 28 11.479 1.884 0.310 0.407 0.778 0.444 CA 1.268 28 residues pruned to eliminate duplicates Z: 9 17.937 2.046 0.798 0.762 1.000 0.875 CA 1.366 9 residues pruned to eliminate duplicates Z: 8 19.783 2.141 0.907 0.763 1.000 1.000 CA 1.449 8 residues pruned to eliminate duplicates Z: 17 18.228 2.096 0.221 0.892 1.000 1.000 CB 1.279 17 residues pruned to eliminate duplicates Z: 8 8.530 1.737 0.002 0.765 1.000 0.571 CB 1.465 Z: 51 37.670 2.123 0.634 0.640 0.920 0.560 CA 1.464 51 residues pruned to eliminate duplicates Z: 14 8.669 1.792 0.243 0.478 0.769 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 30 22.869 2.125 0.577 0.426 0.897 0.517 CA 1.526 31 residues pruned to eliminate duplicates Z: 22 9.856 2.052 0.353 0.318 0.762 0.333 CB 1.243 14 residues pruned to eliminate duplicates Z: 62 37.709 2.014 0.612 0.580 0.902 0.492 CA 1.527 85 residues pruned to eliminate duplicates Z: 31 25.934 2.061 0.505 0.635 0.867 0.733 CA 1.551 31 residues pruned to eliminate duplicates Z: 15 12.052 1.809 0.531 0.447 0.929 0.643 CA 1.322 15 residues pruned to eliminate duplicates Z: 24 12.785 1.891 0.428 0.354 0.826 0.435 CB 1.400 20 residues pruned to eliminate duplicates Z: 12 6.090 1.739 0.573 0.543 0.727 0.364 CB 0.885 Z: 61 29.446 2.071 0.591 0.421 0.883 0.517 CB 1.418 61 residues pruned to eliminate duplicates Z: 13 3.509 1.512 -0.127 0.474 0.833 0.583 CB 0.945 Z: 10 10.723 2.115 0.099 0.546 0.889 0.556 CB 1.653 10 residues pruned to eliminate duplicates Z: 49 34.062 2.167 0.724 0.402 0.917 0.542 CB 1.591 49 residues pruned to eliminate duplicates Z: 13 12.267 1.817 0.413 0.542 0.917 0.417 CA 1.443 16 residues pruned to eliminate duplicates Z: 27 26.832 2.085 0.496 0.690 0.962 0.731 CA 1.473 26 residues pruned to eliminate duplicates Z: 11 14.738 1.802 0.900 0.558 0.900 0.800 CA 1.429 9 residues pruned to eliminate duplicates Z: 34 27.585 2.117 0.669 0.506 0.879 0.606 CB 1.537 34 residues pruned to eliminate duplicates Z: 21 34.105 2.020 0.785 0.919 0.950 0.600 CB 1.569 18 residues pruned to eliminate duplicates Z: 39 39.548 2.178 0.647 0.647 0.921 0.605 CA 1.693 39 residues pruned to eliminate duplicates Z: 20 14.213 1.915 0.384 0.402 1.000 0.579 CA 1.365 20 residues pruned to eliminate duplicates Z: 62 38.707 2.063 0.701 0.620 0.836 0.492 CB 1.509 62 residues pruned to eliminate duplicates Z: 30 12.587 1.857 0.427 0.425 0.828 0.586 CB 1.153 30 residues pruned to eliminate duplicates Z: 15 13.614 2.123 0.720 0.411 0.929 0.571 CB 1.177 15 residues pruned to eliminate duplicates Z: 10 5.442 1.799 0.343 0.502 0.778 0.667 CB 0.964 9 residues pruned to eliminate duplicates Z: 11 15.565 2.111 0.629 0.883 0.700 0.300 CA 1.480 11 residues pruned to eliminate duplicates Z: 10 12.138 1.984 0.531 0.426 1.000 0.667 CB 1.438 10 residues pruned to eliminate duplicates Z: 21 31.834 2.006 0.620 0.901 1.000 0.650 CA 1.563 21 residues pruned to eliminate duplicates Z: 13 10.131 1.952 0.332 0.527 0.833 0.417 CB 1.315 12 residues pruned to eliminate duplicates Z: 12 5.396 1.835 0.486 0.237 0.636 0.455 CA 1.273 Z: 10 9.135 1.690 0.504 0.697 0.889 0.778 CB 1.126 10 residues pruned to eliminate duplicates Z: 8 5.376 1.908 -0.034 0.472 0.857 0.571 CB 1.324 Z: 11 11.367 1.758 0.386 0.605 0.900 0.600 CB 1.484 11 residues pruned to eliminate duplicates Z: 19 22.941 2.084 0.389 0.887 0.889 0.444 CB 1.515 19 residues pruned to eliminate duplicates Z: 14 21.275 2.080 1.016 0.925 0.846 0.462 CB 1.167 14 residues pruned to eliminate duplicates Z: 10 16.943 1.851 0.760 0.903 0.889 0.667 CA 1.391 10 residues pruned to eliminate duplicates Z: 14 7.176 1.799 0.499 0.480 0.692 0.462 CA 1.088 Z: 16 14.580 2.093 0.679 0.448 0.933 0.667 CB 1.211 16 residues pruned to eliminate duplicates Z: 15 11.622 1.781 0.627 0.332 0.857 0.500 N 1.504 Z: 13 7.574 1.840 0.249 0.457 0.833 0.583 CB 1.193 13 residues pruned to eliminate duplicates Z: 21 28.744 2.061 0.541 0.915 1.000 0.850 CA 1.430 21 residues pruned to eliminate duplicates Z: 41 26.538 2.102 0.523 0.460 0.900 0.650 CB 1.516 41 residues pruned to eliminate duplicates Z: 9 15.734 1.879 0.493 0.914 1.000 0.875 CA 1.403 9 residues pruned to eliminate duplicates Z: 27 27.452 2.207 0.930 0.506 0.923 0.692 CB 1.361 29 residues pruned to eliminate duplicates Z: 26 18.295 2.041 0.576 0.472 0.840 0.600 CB 1.393 26 residues pruned to eliminate duplicates Z: 14 15.749 1.884 0.481 0.555 1.000 0.769 CA 1.483 15 residues pruned to eliminate duplicates Z: 21 13.457 2.040 0.375 0.328 0.900 0.400 CA 1.439 21 residues pruned to eliminate duplicates Z: 10 5.982 1.845 0.194 0.352 0.667 0.556 CA 1.594 10 residues pruned to eliminate duplicates Z: 10 9.169 1.707 0.704 0.848 0.889 0.556 CB 0.877 10 residues pruned to eliminate duplicates Z: 18 10.624 1.848 0.375 0.444 0.824 0.471 CB 1.305 18 residues pruned to eliminate duplicates Z: 21 17.834 1.963 0.426 0.420 1.000 0.750 CA 1.548 23 residues pruned to eliminate duplicates Z: 15 6.126 1.656 0.411 0.313 0.714 0.500 CB 1.206 15 residues pruned to eliminate duplicates Z: 10 16.343 1.931 0.827 0.786 1.000 0.778 CB 1.201 11 residues pruned to eliminate duplicates Z: 10 15.374 1.749 0.813 0.854 1.000 0.667 CA 1.194 10 residues pruned to eliminate duplicates Z: 10 13.115 1.994 0.247 0.865 1.000 0.667 CB 1.288 22 residues pruned to eliminate duplicates Z: 25 14.252 2.010 0.477 0.364 0.792 0.583 CA 1.433 25 residues pruned to eliminate duplicates Z: 19 30.312 2.097 0.786 0.877 0.889 0.667 CA 1.559 19 residues pruned to eliminate duplicates Z: 14 7.686 1.859 0.316 0.262 0.846 0.538 CA 1.352 14 residues pruned to eliminate duplicates Z: 10 9.289 2.041 0.236 0.376 1.000 0.556 CB 1.401 5 residues pruned to eliminate duplicates Z: 14 24.652 2.205 0.905 0.910 1.000 0.615 CB 1.155 14 residues pruned to eliminate duplicates Z: 32 25.864 2.083 0.460 0.549 0.968 0.742 CA 1.505 32 residues pruned to eliminate duplicates Z: 17 23.305 2.032 0.521 0.879 1.000 0.625 CB 1.367 17 residues pruned to eliminate duplicates Z: 17 28.290 2.001 0.875 0.807 1.000 0.438 CA 1.442 17 residues pruned to eliminate duplicates Z: 6 3.416 1.655 0.184 0.516 0.800 0.600 CB 0.959 6 residues pruned to eliminate duplicates Z: 12 10.118 1.851 0.353 0.434 1.000 0.545 CB 1.305 12 residues pruned to eliminate duplicates Z: 65 40.323 1.987 0.789 0.624 0.906 0.484 CB 1.392 66 residues pruned to eliminate duplicates Z: 7 5.880 1.684 0.444 0.740 0.833 0.667 CB 0.955 Z: 6 2.379 1.446 0.735 0.316 0.600 0.400 CA 0.867 6 residues pruned to eliminate duplicates Z: 6 3.283 1.719 -0.102 0.361 1.000 0.400 CB 1.104 Z: 20 9.937 1.961 0.728 0.336 0.684 0.474 CA 1.177 20 residues pruned to eliminate duplicates Z: 64 41.255 2.127 0.607 0.595 0.921 0.635 CA 1.508 64 residues pruned to eliminate duplicates Z: 7 6.221 1.728 0.000 0.669 0.833 0.667 CB 1.509 11 residues pruned to eliminate duplicates Z: 7 7.624 1.684 0.499 0.852 0.833 0.333 CA 1.095 7 residues pruned to eliminate duplicates Z: 11 11.900 1.707 0.490 0.807 1.000 0.900 CA 1.131 11 residues pruned to eliminate duplicates Z: 6 12.218 2.174 0.434 0.628 1.000 0.800 CB 1.553 6 residues pruned to eliminate duplicates Z: 13 13.111 2.054 0.767 0.424 0.833 0.583 CB 1.354 13 residues pruned to eliminate duplicates Z: 10 12.364 1.750 0.712 0.887 1.000 0.667 CB 0.992 10 residues pruned to eliminate duplicates Z: 20 33.793 2.058 0.727 0.912 1.000 0.368 CA 1.545 20 residues pruned to eliminate duplicates Z: 18 20.410 1.904 0.302 0.860 0.941 0.882 CB 1.561 18 residues pruned to eliminate duplicates Z: 21 27.614 2.005 0.428 0.921 0.950 0.750 CB 1.598 21 residues pruned to eliminate duplicates Z: 6 2.773 1.366 0.266 0.717 0.800 0.800 O 0.737 Z: 34 14.691 2.036 0.648 0.255 0.727 0.242 CA 1.389 34 residues pruned to eliminate duplicates Z: 12 11.614 1.860 0.321 0.521 1.000 0.636 CA 1.396 12 residues pruned to eliminate duplicates Z: 7 4.263 1.804 -0.007 0.489 0.833 0.333 N 1.179 Z: 10 12.202 1.944 0.739 0.427 1.000 0.778 CA 1.297 10 residues pruned to eliminate duplicates Z: 16 12.223 1.874 0.466 0.486 0.933 0.667 CB 1.248 22 residues pruned to eliminate duplicates Z: 18 6.261 1.558 0.500 0.385 0.882 0.588 CB 0.832 Z: 37 19.235 2.001 0.485 0.431 0.833 0.444 CB 1.390 37 residues pruned to eliminate duplicates Z: 34 25.002 2.173 0.629 0.492 0.909 0.485 CB 1.363 34 residues pruned to eliminate duplicates Z: 12 13.606 1.765 0.274 0.861 1.000 0.818 CA 1.340 12 residues pruned to eliminate duplicates Z: 10 2.172 1.475 -0.002 0.254 0.667 0.444 CA 0.978 10 residues pruned to eliminate duplicates Z: 22 34.002 2.162 0.583 0.863 0.952 0.619 CA 1.669 22 residues pruned to eliminate duplicates Z: 16 25.086 2.167 0.505 0.915 0.933 0.600 CB 1.504 16 residues pruned to eliminate duplicates Z: 36 13.017 1.909 0.230 0.393 0.857 0.600 CB 1.224 36 residues pruned to eliminate duplicates Z: 22 27.760 1.953 0.591 0.918 1.000 0.714 CB 1.375 22 residues pruned to eliminate duplicates Z: 7 3.821 1.747 0.642 0.154 0.667 0.167 CB 1.248 Z: 20 44.931 2.337 0.864 0.926 1.000 0.737 CB 1.659 20 residues pruned to eliminate duplicates Z: 23 37.968 2.142 0.776 0.906 0.955 0.545 CB 1.586 23 residues pruned to eliminate duplicates Z: 9 2.784 1.524 0.264 0.371 0.625 0.625 N 0.939 9 residues pruned to eliminate duplicates Z: 21 12.206 1.992 0.300 0.491 0.900 0.750 CB 1.182 21 residues pruned to eliminate duplicates Z: 6 2.247 1.681 -0.215 0.632 0.800 0.800 CB 0.841 Z: 19 12.396 1.929 0.882 0.329 0.833 0.500 CA 1.165 19 residues pruned to eliminate duplicates Z: 9 8.805 1.584 0.086 0.804 1.000 0.750 CA 1.389 6 residues pruned to eliminate duplicates Z: 10 18.482 1.978 0.732 0.786 1.000 0.556 CA 1.398 10 residues pruned to eliminate duplicates Z: 7 4.781 1.489 -0.024 0.712 1.000 0.500 N 1.108 Z: 8 11.512 1.744 0.413 0.844 1.000 0.714 CA 1.313 9 residues pruned to eliminate duplicates Z: 10 10.614 1.754 0.281 0.634 1.000 0.556 N 1.389 10 residues pruned to eliminate duplicates Z: 6 5.616 1.947 0.668 0.457 0.600 0.600 CA 1.347 Z: 6 6.349 1.621 0.240 0.643 1.000 0.400 CA 1.236 5 residues pruned to eliminate duplicates Z: 10 13.415 2.072 0.684 0.521 0.889 0.556 CB 1.411 13 residues pruned to eliminate duplicates Z: 6 4.025 1.582 0.386 0.582 0.800 0.600 CB 0.948 Z: 9 15.670 1.998 0.783 0.790 1.000 1.000 CB 1.205 9 residues pruned to eliminate duplicates Z: 41 28.745 2.081 0.562 0.563 0.950 0.675 CA 1.384 41 residues pruned to eliminate duplicates Z: 12 5.235 1.546 0.524 0.461 0.818 0.545 N 0.852 Z: 15 15.604 1.880 0.519 0.554 1.000 0.357 CA 1.386 15 residues pruned to eliminate duplicates Z: 6 2.980 1.650 0.020 0.626 1.000 0.800 CB 0.703 Z: 13 5.822 1.860 0.513 0.375 0.667 0.500 CB 1.024 13 residues pruned to eliminate duplicates Z: 6 9.902 2.105 0.609 0.518 0.800 0.400 CA 1.606 6 residues pruned to eliminate duplicates Z: 21 37.586 2.283 0.541 0.919 1.000 0.700 CB 1.684 21 residues pruned to eliminate duplicates Z: 9 4.614 1.532 0.234 0.620 0.875 0.375 N 0.881 Z: 29 14.210 1.856 0.414 0.409 0.893 0.500 CB 1.262 28 residues pruned to eliminate duplicates Z: 9 18.879 1.922 1.078 0.796 1.000 0.375 CB 1.290 9 residues pruned to eliminate duplicates Z: 45 32.855 2.087 0.555 0.610 0.955 0.500 CA 1.440 45 residues pruned to eliminate duplicates Z: 8 7.129 1.920 -0.023 0.580 0.857 0.429 CB 1.553 8 residues pruned to eliminate duplicates Z: 8 6.048 1.915 0.140 0.457 0.714 0.714 CA 1.532 8 residues pruned to eliminate duplicates Z: 54 26.317 1.987 0.761 0.353 0.887 0.396 CB 1.365 54 residues pruned to eliminate duplicates Z: 8 5.472 1.936 0.356 0.439 0.714 0.571 CB 1.175 5 residues pruned to eliminate duplicates Z: 7 6.085 1.727 1.068 0.548 1.000 0.833 CB 0.664 7 residues pruned to eliminate duplicates Z: 11 3.042 1.448 0.317 0.294 0.600 0.300 N 1.058 Z: 9 3.211 1.441 0.177 0.401 0.625 0.375 CB 1.188 9 residues pruned to eliminate duplicates Z: 19 10.444 1.902 0.356 0.331 0.778 0.278 CA 1.477 20 residues pruned to eliminate duplicates Z: 6 7.555 1.838 0.131 0.657 1.000 1.000 CB 1.405 Z: 29 12.451 1.926 0.376 0.378 0.821 0.536 CA 1.231 29 residues pruned to eliminate duplicates Z: 8 10.743 1.877 0.621 0.598 0.857 0.714 CB 1.417 8 residues pruned to eliminate duplicates Z: 62 35.864 2.005 0.736 0.609 0.869 0.672 CB 1.369 62 residues pruned to eliminate duplicates Z: 13 5.430 1.496 0.291 0.335 0.917 0.417 CB 1.060 Z: 16 12.612 1.896 0.557 0.456 0.867 0.533 CA 1.331 16 residues pruned to eliminate duplicates Z: 67 41.061 2.175 0.632 0.538 0.924 0.439 CB 1.485 67 residues pruned to eliminate duplicates Z: 25 10.543 1.879 0.242 0.380 0.792 0.375 CA 1.322 25 residues pruned to eliminate duplicates Z: 9 5.853 1.724 0.374 0.378 0.750 0.625 CA 1.327 9 residues pruned to eliminate duplicates Z: 9 14.050 1.887 0.442 0.872 1.000 0.750 CA 1.330 9 residues pruned to eliminate duplicates Z: 12 21.371 2.056 0.720 0.919 0.909 0.909 CA 1.413 12 residues pruned to eliminate duplicates Z: 9 8.203 1.502 0.430 0.761 1.000 0.625 CB 1.071 8 residues pruned to eliminate duplicates Z: 8 3.119 1.556 -0.054 0.604 0.857 0.571 CB 0.847 8 residues pruned to eliminate duplicates Z: 8 5.022 1.585 0.283 0.552 0.857 0.714 CB 1.036 8 residues pruned to eliminate duplicates Z: 37 19.894 2.007 0.541 0.413 0.861 0.500 CB 1.363 37 residues pruned to eliminate duplicates Z: 63 40.459 2.188 0.534 0.578 0.919 0.597 CB 1.545 68 residues pruned to eliminate duplicates Z: 12 6.148 1.428 0.412 0.615 0.909 0.545 CB 0.907 9 residues pruned to eliminate duplicates Z: 12 12.025 1.976 0.701 0.654 0.818 0.636 CB 1.143 12 residues pruned to eliminate duplicates Z: 10 8.156 1.884 0.294 0.472 1.000 0.556 CB 1.148 Z: 15 12.367 1.865 0.264 0.481 1.000 0.643 CA 1.430 15 residues pruned to eliminate duplicates Z: 8 4.295 1.588 0.385 0.400 0.714 0.286 CB 1.149 Z: 26 22.206 2.081 0.419 0.573 0.880 0.640 CA 1.593 26 residues pruned to eliminate duplicates Z: 9 6.702 1.774 0.366 0.355 0.875 0.625 CA 1.308 9 residues pruned to eliminate duplicates Z: 16 16.192 1.938 0.276 0.752 0.867 0.667 CA 1.558 16 residues pruned to eliminate duplicates Z: 19 10.139 1.709 0.451 0.431 0.833 0.444 CA 1.242 19 residues pruned to eliminate duplicates Z: 6 3.617 1.815 0.711 0.300 0.600 0.600 CA 1.086 4 residues pruned to eliminate duplicates Z: 14 12.427 1.874 0.461 0.468 0.923 0.615 CB 1.410 16 residues pruned to eliminate duplicates Z: 53 35.661 1.920 0.804 0.553 0.865 0.615 CA 1.567 53 residues pruned to eliminate duplicates Z: 6 3.508 1.570 0.191 0.456 0.800 0.400 N 1.097 Z: 10 3.732 1.756 0.677 0.231 0.778 0.444 CA 0.743 10 residues pruned to eliminate duplicates Z: 7 2.771 1.618 -0.113 0.593 1.000 0.667 CB 0.722 Z: 21 16.924 1.960 0.354 0.821 0.750 0.400 CB 1.440 21 residues pruned to eliminate duplicates Z: 7 3.644 1.752 0.281 0.335 1.000 0.500 CB 0.794 Z: 6 2.646 1.434 0.521 0.296 0.600 0.400 C 1.136 Z: 21 20.841 2.010 0.215 0.754 1.000 0.850 CA 1.522 21 residues pruned to eliminate duplicates Z: 11 24.408 2.100 0.773 0.900 0.900 0.300 C 1.644 11 residues pruned to eliminate duplicates Z: 58 37.277 2.096 0.562 0.617 0.947 0.561 CA 1.426 58 residues pruned to eliminate duplicates Z: 11 10.712 1.874 0.494 0.417 0.900 0.600 CB 1.466 11 residues pruned to eliminate duplicates Z: 62 45.240 2.243 0.695 0.580 0.934 0.475 CB 1.510 65 residues pruned to eliminate duplicates Z: 7 3.246 1.197 0.350 0.711 0.833 0.667 CA 0.813 Z: 35 22.925 2.044 0.469 0.528 0.824 0.529 CA 1.548 35 residues pruned to eliminate duplicates Z: 30 19.664 2.059 0.615 0.405 0.862 0.621 CB 1.408 30 residues pruned to eliminate duplicates Z: 6 8.145 1.922 -0.054 0.806 1.000 0.800 CA 1.533 Z: 6 5.128 1.608 0.547 0.398 0.800 0.400 N 1.284 6 residues pruned to eliminate duplicates Z: 10 15.258 1.876 0.432 0.899 1.000 1.000 CA 1.353 10 residues pruned to eliminate duplicates Z: 10 6.748 1.504 0.649 0.360 0.889 0.444 CA 1.187 5 residues pruned to eliminate duplicates Z: 21 17.292 1.964 0.598 0.395 0.900 0.450 CA 1.529 21 residues pruned to eliminate duplicates Z: 43 38.399 2.114 0.675 0.691 0.929 0.571 CA 1.513 43 residues pruned to eliminate duplicates Z: 14 20.224 1.996 0.536 0.925 1.000 0.769 CB 1.284 14 residues pruned to eliminate duplicates Z: 6 2.731 1.367 0.253 0.298 1.000 0.800 N 0.893 Z: 7 10.293 1.652 0.434 0.828 1.000 0.833 CA 1.336 7 residues pruned to eliminate duplicates Z: 10 6.657 1.833 0.251 0.465 0.778 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 9 6.538 1.780 0.331 0.506 0.750 0.500 CB 1.293 10 residues pruned to eliminate duplicates Z: 20 13.942 1.989 0.642 0.430 0.737 0.421 CA 1.430 20 residues pruned to eliminate duplicates Z: 36 26.968 1.967 0.588 0.589 0.886 0.686 CB 1.513 36 residues pruned to eliminate duplicates Z: 9 11.100 1.751 0.621 0.583 0.875 0.625 CB 1.459 9 residues pruned to eliminate duplicates Z: 54 36.202 2.165 0.722 0.509 0.906 0.642 CB 1.460 54 residues pruned to eliminate duplicates Z: 6 2.547 1.181 0.280 0.734 0.800 0.600 CB 0.763 Z: 10 12.235 1.754 0.386 0.878 0.889 0.667 CB 1.369 10 residues pruned to eliminate duplicates Z: 7 4.729 1.464 0.757 0.512 0.667 0.500 CA 1.112 7 residues pruned to eliminate duplicates Z: 8 12.842 1.839 0.554 0.688 1.000 0.429 CA 1.429 9 residues pruned to eliminate duplicates Z: 20 39.093 2.052 1.042 0.902 0.947 0.579 CA 1.611 20 residues pruned to eliminate duplicates Z: 22 19.060 1.985 0.532 0.567 0.905 0.476 CB 1.417 22 residues pruned to eliminate duplicates Z: 41 37.527 2.096 0.721 0.647 0.925 0.525 CB 1.551 41 residues pruned to eliminate duplicates Z: 6 5.848 1.592 0.353 0.662 0.800 0.800 N 1.306 6 residues pruned to eliminate duplicates Z: 7 8.995 2.001 0.132 0.539 1.000 1.000 CB 1.562 7 residues pruned to eliminate duplicates Z: 19 12.737 1.874 0.553 0.371 0.833 0.611 CB 1.421 18 residues pruned to eliminate duplicates Z: 47 25.189 1.980 0.402 0.549 0.935 0.587 CA 1.364 47 residues pruned to eliminate duplicates 6 1.647 1.397 0.452 0.362 0.600 0.400 N 0.702 ? Z: 50 18.588 1.869 0.467 0.394 0.878 0.551 CB 1.235 49 residues pruned to eliminate duplicates Z: 6 2.559 1.461 -0.108 0.472 0.800 0.600 N 1.130 Z: 21 18.825 2.019 0.446 0.625 0.850 0.800 CB 1.508 21 residues pruned to eliminate duplicates Z: 48 31.659 2.170 0.636 0.506 0.915 0.660 CB 1.413 48 residues pruned to eliminate duplicates Z: 7 5.827 1.596 1.208 0.700 0.833 0.667 CB 0.675 Z: 13 5.362 1.742 0.402 0.432 0.667 0.417 CB 1.019 16 residues pruned to eliminate duplicates Z: 14 9.763 1.768 0.415 0.517 0.846 0.462 CB 1.258 13 residues pruned to eliminate duplicates Z: 11 16.732 2.138 0.653 0.624 0.900 0.700 CB 1.480 11 residues pruned to eliminate duplicates Z: 11 10.145 1.800 0.320 0.808 1.000 0.700 CA 1.032 11 residues pruned to eliminate duplicates Z: 20 7.321 1.832 0.446 0.401 0.684 0.474 CB 1.029 20 residues pruned to eliminate duplicates Z: 17 10.814 1.941 0.404 0.400 0.875 0.688 CB 1.260 17 residues pruned to eliminate duplicates Z: 13 14.911 1.959 0.750 0.444 0.917 0.500 CA 1.451 13 residues pruned to eliminate duplicates Z: 10 4.796 1.544 0.377 0.569 0.778 0.444 CB 0.904 6 residues pruned to eliminate duplicates Z: 7 3.141 1.461 0.407 0.408 0.667 0.333 CB 1.030 5 residues pruned to eliminate duplicates Z: 63 43.740 2.250 0.533 0.550 0.968 0.484 CB 1.584 63 residues pruned to eliminate duplicates Z: 10 12.707 1.853 0.325 0.888 1.000 0.889 CB 1.243 8 residues pruned to eliminate duplicates Z: 6 4.707 1.662 0.249 0.493 0.800 0.800 O 1.277 6 residues pruned to eliminate duplicates Z: 9 8.930 1.707 0.607 0.817 0.750 0.750 CA 1.165 9 residues pruned to eliminate duplicates Z: 14 10.196 1.822 0.611 0.442 0.846 0.385 CA 1.209 11 residues pruned to eliminate duplicates Z: 7 5.933 1.467 0.634 0.660 0.833 0.500 CA 1.045 7 residues pruned to eliminate duplicates Z: 14 13.763 1.773 0.569 0.440 1.000 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 29 22.935 1.965 0.610 0.532 0.893 0.500 CA 1.487 29 residues pruned to eliminate duplicates Z: 10 4.884 1.720 0.543 0.392 0.556 0.556 CA 1.238 10 residues pruned to eliminate duplicates Z: 13 11.778 1.861 0.461 0.630 0.917 0.500 CB 1.207 12 residues pruned to eliminate duplicates Z: 7 4.800 1.673 0.455 0.421 0.833 0.167 CB 1.049 Z: 6 3.302 1.464 0.411 0.666 1.000 0.400 CB 0.613 Z: 6 3.368 1.602 -0.038 0.556 0.800 0.600 O 1.157 Z: 12 11.892 1.857 0.616 0.541 0.909 0.727 CB 1.263 12 residues pruned to eliminate duplicates Z: 18 19.201 1.914 0.528 0.880 0.941 0.765 CB 1.226 18 residues pruned to eliminate duplicates Z: 39 19.605 1.932 0.442 0.464 0.842 0.447 CB 1.407 66 residues pruned to eliminate duplicates Z: 10 26.944 2.116 0.758 0.891 1.000 0.556 CA 1.735 10 residues pruned to eliminate duplicates Z: 9 29.508 2.322 0.894 0.904 1.000 0.500 CB 1.690 9 residues pruned to eliminate duplicates Z: 28 31.869 2.117 0.735 0.743 0.963 0.630 CA 1.396 28 residues pruned to eliminate duplicates Z: 6 4.025 1.895 -0.092 0.564 0.800 0.600 CB 1.229 12 residues pruned to eliminate duplicates Z: 56 39.674 2.209 0.507 0.613 0.945 0.582 CB 1.528 56 residues pruned to eliminate duplicates Z: 28 21.170 2.112 0.641 0.493 0.852 0.519 CB 1.390 28 residues pruned to eliminate duplicates Z: 7 3.941 1.495 0.096 0.516 0.833 0.333 CB 1.160 7 residues pruned to eliminate duplicates Z: 13 7.381 1.940 0.524 0.443 0.750 0.667 CB 1.019 6 1.963 1.270 0.430 0.293 0.600 0.600 O 1.015 ? Z: 13 13.087 1.865 0.609 0.412 1.000 0.500 CB 1.379 13 residues pruned to eliminate duplicates Z: 8 2.468 1.427 0.424 0.211 0.571 0.429 C 1.130 Z: 14 15.225 1.918 0.514 0.538 0.923 0.692 CB 1.518 14 residues pruned to eliminate duplicates Z: 14 12.453 1.848 0.298 0.530 1.000 0.692 CA 1.398 14 residues pruned to eliminate duplicates Z: 15 7.059 1.906 0.176 0.328 0.714 0.286 CB 1.422 15 residues pruned to eliminate duplicates Z: 19 11.326 1.773 0.696 0.345 0.778 0.389 CA 1.351 19 residues pruned to eliminate duplicates Z: 8 5.661 1.560 0.491 0.685 0.857 0.714 CB 0.905 Z: 25 22.873 2.048 0.223 0.688 1.000 0.833 CA 1.569 25 residues pruned to eliminate duplicates Z: 6 2.087 1.296 0.113 0.361 1.000 0.600 CB 0.752 6 residues pruned to eliminate duplicates Z: 22 16.719 1.958 0.469 0.408 0.905 0.667 CB 1.544 24 residues pruned to eliminate duplicates Z: 15 9.427 1.583 0.613 0.365 0.929 0.357 CB 1.228 15 residues pruned to eliminate duplicates Z: 9 23.701 2.130 1.017 0.644 1.000 0.875 CB 1.706 9 residues pruned to eliminate duplicates Z: 17 16.209 1.939 0.534 0.454 0.875 0.625 CA 1.631 17 residues pruned to eliminate duplicates Z: 6 4.752 1.300 0.523 0.702 1.000 0.600 CB 0.893 Z: 13 10.829 1.867 0.536 0.487 0.917 0.500 CA 1.204 14 residues pruned to eliminate duplicates Z: 17 18.780 2.005 0.176 0.876 1.000 0.875 CA 1.448 17 residues pruned to eliminate duplicates Z: 32 10.039 1.749 0.244 0.398 0.839 0.484 CB 1.101 29 residues pruned to eliminate duplicates Z: 17 5.755 1.579 0.335 0.271 0.812 0.562 CB 1.089 17 residues pruned to eliminate duplicates Z: 11 8.866 1.677 0.492 0.421 0.800 0.600 N 1.521 11 residues pruned to eliminate duplicates Z: 10 6.716 1.684 0.611 0.513 1.000 0.556 CB 0.815 10 residues pruned to eliminate duplicates Z: 34 15.725 1.934 0.526 0.397 0.788 0.485 CA 1.314 34 residues pruned to eliminate duplicates Z: 46 24.134 2.003 0.780 0.399 0.867 0.422 CB 1.296 32 residues pruned to eliminate duplicates Z: 10 7.187 1.508 0.151 0.753 0.889 0.222 CA 1.239 10 residues pruned to eliminate duplicates Z: 9 6.545 1.744 0.317 0.429 0.875 0.750 CB 1.240 9 residues pruned to eliminate duplicates Z: 7 7.452 1.644 0.130 0.882 1.000 1.000 CA 1.185 7 residues pruned to eliminate duplicates Z: 6 2.226 1.376 0.002 0.296 0.800 0.600 O 1.133 6 residues pruned to eliminate duplicates Z: 10 12.329 2.006 0.306 0.836 0.778 0.556 CA 1.510 10 residues pruned to eliminate duplicates Z: 26 18.549 1.927 0.263 0.681 0.960 0.840 CB 1.344 26 residues pruned to eliminate duplicates Z: 29 13.353 1.888 0.472 0.359 0.750 0.643 CA 1.410 29 residues pruned to eliminate duplicates Z: 6 2.549 1.412 0.377 0.401 0.600 0.400 N 1.085 Z: 31 26.161 1.990 0.482 0.642 0.967 0.600 CA 1.467 31 residues pruned to eliminate duplicates Z: 33 30.530 2.021 0.664 0.688 0.875 0.594 CB 1.543 31 residues pruned to eliminate duplicates Z: 6 11.874 2.131 0.673 0.685 1.000 0.600 CB 1.257 6 residues pruned to eliminate duplicates Z: 6 2.656 1.388 -0.071 0.546 0.800 0.400 CB 1.101 3 residues pruned to eliminate duplicates Z: 8 6.167 1.748 0.234 0.520 0.857 0.857 CB 1.236 7 residues pruned to eliminate duplicates Z: 6 2.837 1.083 0.417 0.634 1.000 0.800 CB 0.729 Z: 55 35.654 2.063 0.691 0.609 0.870 0.648 CA 1.440 55 residues pruned to eliminate duplicates Z: 10 16.912 1.890 0.537 0.899 1.000 0.889 CA 1.387 10 residues pruned to eliminate duplicates Z: 6 3.012 1.507 0.622 0.295 0.600 0.400 N 1.155 6 residues pruned to eliminate duplicates Z: 7 2.634 1.485 0.156 0.385 0.833 0.667 CB 0.849 Z: 9 9.247 1.808 0.544 0.519 1.000 0.750 CB 1.149 9 residues pruned to eliminate duplicates Z: 6 4.358 1.663 0.805 0.319 0.600 0.200 CA 1.321 Z: 7 5.946 1.427 0.205 0.877 1.000 0.667 O 1.026 Z: 11 7.733 2.031 0.084 0.583 0.900 0.600 CB 1.140 11 residues pruned to eliminate duplicates Z: 6 6.010 1.882 0.325 0.471 0.800 0.600 N 1.387 8 residues pruned to eliminate duplicates Z: 27 16.154 2.048 0.482 0.478 0.885 0.577 CB 1.206 27 residues pruned to eliminate duplicates Z: 30 18.912 1.970 0.627 0.532 0.897 0.724 CB 1.184 30 residues pruned to eliminate duplicates Z: 17 15.469 2.031 0.419 0.483 0.875 0.625 CB 1.560 17 residues pruned to eliminate duplicates Z: 8 4.076 1.643 0.186 0.354 0.714 0.571 CA 1.296 8 residues pruned to eliminate duplicates Z: 11 4.748 1.403 0.673 0.341 0.700 0.400 CA 1.087 Z: 19 21.250 1.896 0.569 0.853 1.000 0.833 CA 1.244 19 residues pruned to eliminate duplicates Z: 12 4.256 1.463 0.213 0.357 0.818 0.455 CB 1.030 12 residues pruned to eliminate duplicates Z: 8 2.578 1.299 0.319 0.325 1.000 0.286 C 0.690 Z: 13 5.965 1.577 0.048 0.384 0.917 0.417 CB 1.287 8 residues pruned to eliminate duplicates Z: 7 4.866 1.595 0.370 0.495 0.833 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 9 6.606 1.585 0.389 0.590 0.750 0.500 N 1.298 9 residues pruned to eliminate duplicates Z: 7 3.569 1.488 0.802 0.246 0.833 0.500 CB 0.875 Z: 62 40.016 2.004 0.763 0.586 0.869 0.525 CA 1.537 57 residues pruned to eliminate duplicates Z: 19 13.009 1.937 0.577 0.377 0.833 0.667 CB 1.374 17 residues pruned to eliminate duplicates Z: 12 6.211 1.822 0.671 0.284 0.909 0.545 CB 0.864 12 residues pruned to eliminate duplicates Z: 7 10.413 1.668 0.822 0.721 1.000 0.500 CA 1.146 7 residues pruned to eliminate duplicates Z: 7 2.997 1.832 0.685 0.404 0.667 0.500 CA 0.658 Z: 38 32.449 2.176 0.726 0.600 0.865 0.486 CB 1.493 38 residues pruned to eliminate duplicates Z: 10 6.716 1.706 0.033 0.614 1.000 0.778 N 1.141 8 residues pruned to eliminate duplicates Z: 6 4.466 1.445 0.442 0.517 0.800 0.800 N 1.178 6 residues pruned to eliminate duplicates Z: 14 5.318 1.578 0.116 0.524 0.769 0.692 CB 1.063 14 residues pruned to eliminate duplicates Z: 20 9.792 1.773 0.824 0.358 0.789 0.474 CB 1.026 13 residues pruned to eliminate duplicates Z: 8 3.283 1.667 0.020 0.506 0.857 0.429 CB 0.847 8 residues pruned to eliminate duplicates Z: 7 4.797 1.410 1.101 0.435 0.667 0.500 CB 1.061 Z: 9 4.884 1.879 0.117 0.285 0.875 0.625 CB 1.199 Z: 13 24.023 2.130 1.043 0.929 0.917 0.667 CB 1.217 13 residues pruned to eliminate duplicates Z: 7 3.336 1.611 0.520 0.498 0.833 0.667 CB 0.669 Z: 6 4.019 1.480 0.362 0.540 1.000 0.600 CB 0.858 6 0.868 1.539 0.085 0.471 0.400 0.200 CA 0.598 ? Z: 12 9.027 2.190 0.187 0.331 0.727 0.455 CA 1.733 12 residues pruned to eliminate duplicates Z: 9 2.841 1.433 0.776 0.213 0.750 0.500 CB 0.739 Z: 31 17.443 1.953 0.617 0.434 0.867 0.600 CB 1.246 29 residues pruned to eliminate duplicates Z: 10 5.736 1.665 0.369 0.450 0.778 0.444 CA 1.135 6 residues pruned to eliminate duplicates Z: 9 7.068 1.710 0.308 0.705 1.000 0.750 CB 0.927 12 residues pruned to eliminate duplicates Z: 6 5.387 1.572 0.730 0.580 0.800 0.400 CB 1.025 Z: 15 5.936 1.669 0.672 0.353 0.643 0.429 CA 1.037 Z: 13 15.881 1.938 0.457 0.881 0.917 0.917 CA 1.282 13 residues pruned to eliminate duplicates Z: 9 3.577 1.772 0.073 0.339 0.625 0.375 CA 1.268 9 residues pruned to eliminate duplicates Z: 46 27.754 1.900 0.643 0.619 0.889 0.444 CB 1.333 46 residues pruned to eliminate duplicates Z: 19 28.505 1.929 0.779 0.883 0.944 0.278 CB 1.499 19 residues pruned to eliminate duplicates Z: 37 27.884 2.153 0.673 0.466 0.861 0.583 CB 1.551 37 residues pruned to eliminate duplicates 6 1.508 1.261 0.086 0.365 0.600 0.400 O 0.948 ? Z: 28 12.794 2.014 0.416 0.328 0.741 0.333 CB 1.408 28 residues pruned to eliminate duplicates Z: 6 2.863 1.399 0.155 0.672 0.800 0.800 C 0.845 Z: 7 4.745 1.595 0.634 0.702 1.000 0.667 CB 0.618 Z: 6 3.949 1.607 0.702 0.527 0.600 0.600 CA 1.048 6 residues pruned to eliminate duplicates Z: 6 2.516 1.458 0.211 0.298 0.800 0.600 CB 0.998 5 residues pruned to eliminate duplicates Z: 6 3.342 1.509 0.185 0.419 0.800 0.400 CB 1.136 Z: 19 5.112 1.665 0.234 0.186 0.778 0.333 N 1.098 19 residues pruned to eliminate duplicates Z: 6 2.188 1.552 0.381 0.289 0.600 0.200 N 0.964 6 residues pruned to eliminate duplicates Z: 11 16.075 1.687 0.804 0.839 0.900 0.600 C 1.386 11 residues pruned to eliminate duplicates Z: 23 12.892 1.884 0.346 0.438 0.818 0.545 CA 1.412 23 residues pruned to eliminate duplicates Z: 15 14.644 1.776 0.850 0.457 0.929 0.643 CA 1.341 13 residues pruned to eliminate duplicates Z: 7 6.465 1.453 0.258 0.873 1.000 0.833 O 1.053 7 residues pruned to eliminate duplicates Z: 30 13.214 1.869 0.465 0.338 0.862 0.448 CA 1.240 30 residues pruned to eliminate duplicates Z: 6 8.512 1.786 0.767 0.585 0.800 0.600 N 1.390 10 residues pruned to eliminate duplicates Z: 9 2.041 1.269 0.019 0.299 0.750 0.375 CB 0.931 Z: 59 36.919 2.089 0.555 0.625 0.931 0.655 CA 1.425 59 residues pruned to eliminate duplicates Z: 6 2.097 1.711 0.582 0.179 0.600 0.200 CB 0.850 Z: 14 6.123 1.787 0.360 0.463 0.846 0.769 CB 0.858 14 residues pruned to eliminate duplicates Z: 9 4.482 1.555 0.451 0.321 0.750 0.500 CA 1.141 Z: 8 7.612 1.454 0.434 0.852 1.000 0.571 O 1.021 7 residues pruned to eliminate duplicates 6 1.858 1.250 0.503 0.412 1.000 0.800 CB 0.485 ? Z: 6 3.578 1.372 0.685 0.596 0.800 0.800 CB 0.789 Z: 15 19.814 2.084 0.564 0.537 0.929 0.714 CA 1.687 15 residues pruned to eliminate duplicates Z: 13 10.027 1.871 0.637 0.401 0.833 0.500 CB 1.259 19 residues pruned to eliminate duplicates Z: 7 6.983 1.626 0.667 0.811 1.000 1.000 CA 0.802 6 residues pruned to eliminate duplicates Z: 8 2.857 1.278 0.293 0.314 1.000 0.286 N 0.803 Z: 20 13.008 1.874 0.450 0.580 0.842 0.316 CB 1.209 20 residues pruned to eliminate duplicates Z: 12 16.376 1.982 0.547 0.844 0.818 0.455 CA 1.465 12 residues pruned to eliminate duplicates Z: 78 42.321 2.104 0.582 0.553 0.935 0.558 CA 1.471 78 residues pruned to eliminate duplicates Z: 6 4.349 1.706 0.136 0.471 0.800 0.600 CB 1.292 Z: 13 6.516 1.678 0.365 0.365 0.917 0.500 CB 1.035 13 residues pruned to eliminate duplicates Z: 28 11.729 1.850 0.312 0.333 0.778 0.630 CA 1.436 25 residues pruned to eliminate duplicates Z: 6 2.676 1.285 0.985 0.296 0.600 0.400 CA 0.983 Z: 20 17.728 2.065 0.718 0.484 0.789 0.579 CA 1.475 20 residues pruned to eliminate duplicates Z: 8 9.130 1.536 0.673 0.602 1.000 0.857 N 1.218 7 1.636 1.377 -0.098 0.240 0.833 0.333 CA 0.872 ? Z: 12 10.875 1.905 0.716 0.548 0.909 0.545 CA 1.054 12 residues pruned to eliminate duplicates Z: 7 3.016 1.547 -0.111 0.432 1.000 0.667 CB 0.961 Z: 6 3.066 1.811 -0.307 0.516 0.800 0.600 CB 1.343 6 residues pruned to eliminate duplicates Z: 14 3.468 1.402 0.582 0.154 0.692 0.308 CB 0.957 Z: 19 31.990 2.098 0.722 0.915 1.000 0.778 CA 1.475 19 residues pruned to eliminate duplicates Z: 8 8.238 1.823 0.543 0.560 0.857 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 14 8.346 1.740 0.467 0.277 0.846 0.538 CA 1.379 14 residues pruned to eliminate duplicates Z: 15 12.795 1.679 0.531 0.430 1.000 0.429 CA 1.431 15 residues pruned to eliminate duplicates Z: 23 33.850 2.188 0.625 0.733 1.000 0.727 CB 1.646 23 residues pruned to eliminate duplicates Z: 6 3.413 1.406 0.537 0.471 0.800 0.400 CB 0.909 Z: 9 11.583 1.682 1.126 0.853 0.750 0.750 CA 1.129 9 residues pruned to eliminate duplicates Z: 6 2.951 1.682 -0.351 0.777 1.000 1.000 C 0.946 Z: 62 42.170 2.232 0.661 0.570 0.885 0.426 CB 1.537 62 residues pruned to eliminate duplicates Z: 9 5.356 1.821 0.340 0.380 0.625 0.500 CA 1.411 9 residues pruned to eliminate duplicates Z: 10 7.830 1.821 0.471 0.504 0.889 0.667 CB 1.092 11 residues pruned to eliminate duplicates Z: 6 7.341 1.647 0.354 0.645 1.000 0.800 CA 1.286 6 residues pruned to eliminate duplicates Z: 10 6.630 1.797 0.151 0.634 1.000 1.000 CB 0.942 13 residues pruned to eliminate duplicates Z: 32 28.429 2.054 0.421 0.683 0.935 0.613 CB 1.581 32 residues pruned to eliminate duplicates Z: 6 6.476 1.458 0.411 0.714 1.000 1.000 CA 1.159 6 residues pruned to eliminate duplicates Z: 6 5.332 1.572 0.357 0.600 0.800 0.800 CA 1.271 Z: 9 6.395 1.921 0.393 0.317 0.875 0.500 CB 1.183 10 residues pruned to eliminate duplicates Z: 6 2.969 1.336 0.030 0.640 0.800 0.400 N 1.058 Z: 22 29.024 1.936 0.595 0.898 0.905 0.667 CB 1.621 22 residues pruned to eliminate duplicates Z: 13 11.087 1.897 0.059 0.740 1.000 0.833 CB 1.284 13 residues pruned to eliminate duplicates Z: 6 3.764 1.370 0.607 0.400 0.800 0.400 CA 1.062 Z: 9 8.439 1.838 0.383 0.448 1.000 0.250 CB 1.238 Z: 6 3.073 1.341 0.369 0.773 0.800 0.600 CB 0.735 Z: 6 2.212 1.237 0.593 0.368 0.800 0.600 CA 0.723 Z: 18 26.166 2.013 0.735 0.768 0.941 0.824 CB 1.523 18 residues pruned to eliminate duplicates Z: 14 10.092 1.763 0.427 0.384 0.923 0.385 CA 1.364 14 residues pruned to eliminate duplicates Z: 9 4.459 1.764 0.245 0.360 0.750 0.500 CB 1.112 Z: 7 7.521 1.547 0.531 0.717 0.833 0.667 O 1.279 Z: 9 4.016 1.624 0.370 0.529 0.625 0.500 CB 0.993 9 residues pruned to eliminate duplicates Z: 7 2.306 1.336 0.120 0.421 0.833 0.667 CA 0.819 Z: 7 3.022 1.403 0.616 0.380 0.667 0.500 CB 0.928 7 residues pruned to eliminate duplicates Z: 19 7.158 1.667 0.314 0.367 0.889 0.556 CB 0.999 19 residues pruned to eliminate duplicates Z: 15 8.816 1.963 0.386 0.332 0.857 0.429 CB 1.215 15 residues pruned to eliminate duplicates Z: 10 11.439 1.704 0.555 0.632 1.000 0.778 CB 1.272 10 residues pruned to eliminate duplicates Z: 16 27.728 2.115 1.108 0.899 0.933 0.400 CB 1.230 16 residues pruned to eliminate duplicates Z: 8 8.519 1.829 0.247 0.623 1.000 0.857 CB 1.257 8 residues pruned to eliminate duplicates Z: 12 4.074 1.682 0.240 0.432 0.818 0.636 CB 0.772 12 residues pruned to eliminate duplicates Z: 18 19.294 1.860 0.704 0.678 0.882 0.353 CA 1.421 18 residues pruned to eliminate duplicates 6 1.953 1.379 0.370 0.373 0.800 0.400 CB 0.662 ? Using tripeptides from previous cycle as seeds Z: 13 6.189 1.609 0.612 0.373 0.750 0.500 CA 1.052 13 residues pruned to eliminate duplicates Z: 15 5.772 1.793 0.558 0.150 0.714 0.357 CB 1.190 15 residues pruned to eliminate duplicates Z: 14 8.179 1.758 0.608 0.284 0.846 0.462 CB 1.210 15 residues pruned to eliminate duplicates Z: 7 5.472 1.891 0.578 0.420 0.667 0.500 CA 1.221 7 residues pruned to eliminate duplicates Z: 14 16.689 1.925 0.537 0.531 1.000 0.538 CA 1.517 15 residues pruned to eliminate duplicates Z: 6 6.645 1.770 0.345 0.763 1.000 0.800 CA 0.988 6 residues pruned to eliminate duplicates Z: 14 12.913 1.895 0.444 0.431 0.923 0.538 CB 1.523 14 residues pruned to eliminate duplicates Z: 15 11.517 1.869 0.404 0.461 0.857 0.643 CB 1.424 15 residues pruned to eliminate duplicates Z: 15 11.916 1.808 0.470 0.476 0.857 0.571 CB 1.432 15 residues pruned to eliminate duplicates Z: 14 11.761 1.928 0.311 0.436 0.923 0.615 CB 1.493 14 residues pruned to eliminate duplicates Z: 16 14.074 1.797 0.508 0.419 1.000 0.467 CA 1.459 16 residues pruned to eliminate duplicates Z: 7 5.181 1.580 0.337 0.394 1.000 0.500 CA 1.120 7 residues pruned to eliminate duplicates Z: 13 15.328 1.975 0.521 0.517 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 15 13.512 1.846 0.522 0.502 0.929 0.500 CB 1.381 15 residues pruned to eliminate duplicates Z: 6 3.421 1.635 0.266 0.388 1.000 0.600 CB 0.833 5 residues pruned to eliminate duplicates Z: 10 15.312 2.004 0.524 0.711 1.000 0.667 CA 1.380 9 residues pruned to eliminate duplicates Z: 6 4.509 1.844 0.319 0.370 0.800 0.600 CA 1.191 6 residues pruned to eliminate duplicates Z: 10 15.221 1.966 0.889 0.669 0.889 0.444 CA 1.314 10 residues pruned to eliminate duplicates Z: 10 6.433 1.446 0.560 0.581 0.889 0.889 C 0.989 10 residues pruned to eliminate duplicates Z: 17 11.312 1.838 0.277 0.444 0.875 0.500 CA 1.459 17 residues pruned to eliminate duplicates Z: 14 13.701 1.930 0.438 0.507 0.923 0.692 CA 1.473 14 residues pruned to eliminate duplicates Z: 24 16.116 1.915 0.349 0.577 0.913 0.609 CA 1.323 40 residues pruned to eliminate duplicates Z: 15 12.768 1.905 0.502 0.478 0.857 0.500 CB 1.423 Z: 6 2.905 1.425 0.121 0.393 1.000 0.400 CB 0.910 8 residues pruned to eliminate duplicates Z: 6 3.868 1.750 0.411 0.324 0.600 0.000 CA 1.417 6 residues pruned to eliminate duplicates Z: 26 14.665 1.855 0.401 0.347 0.960 0.600 CB 1.389 26 residues pruned to eliminate duplicates Z: 23 18.582 1.968 0.544 0.355 1.000 0.727 CA 1.525 30 residues pruned to eliminate duplicates Z: 7 10.325 1.904 0.620 0.471 1.000 0.500 CA 1.407 7 residues pruned to eliminate duplicates Z: 26 16.914 1.942 0.379 0.366 0.920 0.560 CB 1.587 26 residues pruned to eliminate duplicates Z: 24 15.545 1.928 0.293 0.333 1.000 0.609 CB 1.560 24 residues pruned to eliminate duplicates Z: 31 16.153 1.865 0.496 0.315 0.867 0.633 CB 1.496 24 residues pruned to eliminate duplicates Z: 7 5.169 1.469 0.410 0.408 1.000 0.667 CA 1.121 7 residues pruned to eliminate duplicates Z: 25 15.811 1.893 0.437 0.318 1.000 0.583 CA 1.451 25 residues pruned to eliminate duplicates Z: 22 15.863 1.956 0.379 0.350 1.000 0.762 CB 1.510 22 residues pruned to eliminate duplicates Z: 31 14.857 1.840 0.387 0.283 0.967 0.600 CB 1.404 31 residues pruned to eliminate duplicates Z: 18 16.074 1.958 0.483 0.377 1.000 0.706 CB 1.532 18 residues pruned to eliminate duplicates Z: 33 16.533 1.921 0.417 0.305 0.906 0.531 CA 1.472 33 residues pruned to eliminate duplicates Z: 24 16.693 1.935 0.436 0.346 0.957 0.522 CA 1.547 24 residues pruned to eliminate duplicates Z: 22 15.496 1.933 0.471 0.352 0.952 0.714 CA 1.465 22 residues pruned to eliminate duplicates Z: 24 15.246 1.922 0.403 0.343 0.913 0.696 CA 1.533 24 residues pruned to eliminate duplicates Z: 30 16.584 1.994 0.440 0.302 0.862 0.552 CA 1.551 30 residues pruned to eliminate duplicates Z: 24 18.352 1.942 0.528 0.346 0.957 0.696 CB 1.593 31 residues pruned to eliminate duplicates 6 1.144 1.583 -0.163 0.100 0.600 0.400 CA 1.072 ? Z: 9 5.932 1.437 0.654 0.403 0.875 0.375 O 1.117 9 residues pruned to eliminate duplicates Z: 13 9.459 1.800 0.743 0.523 0.667 0.583 CB 1.277 13 residues pruned to eliminate duplicates Z: 10 9.759 1.960 0.670 0.378 0.778 0.444 CB 1.456 10 residues pruned to eliminate duplicates Z: 15 10.939 1.851 0.334 0.608 0.857 0.571 CB 1.247 15 residues pruned to eliminate duplicates Z: 6 4.741 1.405 0.588 0.402 1.000 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 15 10.032 1.823 0.434 0.469 0.786 0.571 CB 1.347 15 residues pruned to eliminate duplicates Z: 6 3.830 1.247 0.587 0.444 1.000 0.800 N 0.916 6 residues pruned to eliminate duplicates Z: 12 13.122 2.049 0.342 0.641 1.000 0.455 CB 1.262 13 residues pruned to eliminate duplicates Z: 14 6.657 1.859 0.212 0.430 0.769 0.462 CB 1.145 14 residues pruned to eliminate duplicates Z: 14 10.708 1.891 0.326 0.570 0.923 0.615 CB 1.199 14 residues pruned to eliminate duplicates Z: 12 12.144 1.993 0.315 0.566 1.000 0.636 CB 1.311 12 residues pruned to eliminate duplicates Z: 12 11.485 1.997 0.381 0.564 1.000 0.545 CB 1.180 12 residues pruned to eliminate duplicates Z: 11 5.156 1.775 0.283 0.228 0.800 0.500 CB 1.230 9 residues pruned to eliminate duplicates Z: 6 5.253 1.972 0.027 0.417 0.800 0.200 C 1.580 6 residues pruned to eliminate duplicates Z: 73 40.422 2.114 0.561 0.551 0.917 0.542 CA 1.499 73 residues pruned to eliminate duplicates Z: 39 25.085 2.095 0.482 0.585 0.895 0.605 CA 1.350 39 residues pruned to eliminate duplicates Z: 25 10.087 1.915 0.275 0.303 0.833 0.417 CB 1.260 25 residues pruned to eliminate duplicates Z: 71 36.450 2.105 0.596 0.542 0.886 0.571 CA 1.406 71 residues pruned to eliminate duplicates Z: 38 27.041 2.108 0.507 0.565 0.973 0.595 CA 1.351 38 residues pruned to eliminate duplicates Z: 40 26.066 2.045 0.467 0.583 0.949 0.564 CA 1.353 40 residues pruned to eliminate duplicates Z: 79 39.317 2.122 0.520 0.544 0.910 0.551 CA 1.452 79 residues pruned to eliminate duplicates Z: 41 24.826 2.092 0.428 0.525 0.925 0.500 CA 1.385 41 residues pruned to eliminate duplicates Z: 46 26.582 2.014 0.447 0.525 0.933 0.578 CA 1.421 46 residues pruned to eliminate duplicates Z: 42 29.491 2.079 0.575 0.522 0.951 0.512 CA 1.447 42 residues pruned to eliminate duplicates Z: 40 26.403 1.996 0.658 0.526 0.949 0.538 CA 1.312 40 residues pruned to eliminate duplicates Z: 47 27.955 1.999 0.648 0.496 0.891 0.543 CA 1.409 47 residues pruned to eliminate duplicates Z: 36 28.313 2.108 0.584 0.607 0.943 0.629 CA 1.373 36 residues pruned to eliminate duplicates Z: 35 30.557 2.092 0.648 0.620 0.971 0.559 CA 1.399 35 residues pruned to eliminate duplicates Z: 40 24.333 2.038 0.480 0.525 0.974 0.513 CA 1.294 40 residues pruned to eliminate duplicates Z: 40 26.605 2.053 0.592 0.539 0.949 0.564 CA 1.323 40 residues pruned to eliminate duplicates Z: 45 26.016 2.034 0.641 0.515 0.886 0.500 CA 1.307 45 residues pruned to eliminate duplicates Z: 46 24.464 2.032 0.420 0.513 0.867 0.489 CA 1.440 46 residues pruned to eliminate duplicates Z: 72 38.991 2.118 0.584 0.585 0.887 0.563 CA 1.433 72 residues pruned to eliminate duplicates Z: 42 27.179 2.105 0.482 0.536 0.902 0.512 CA 1.455 42 residues pruned to eliminate duplicates Z: 39 37.338 2.130 0.778 0.711 0.947 0.526 CA 1.395 39 residues pruned to eliminate duplicates Z: 35 27.878 2.114 0.612 0.622 0.971 0.588 CA 1.288 35 residues pruned to eliminate duplicates Z: 76 36.385 2.084 0.535 0.520 0.920 0.507 CA 1.399 76 residues pruned to eliminate duplicates Z: 37 25.797 2.049 0.519 0.619 0.944 0.583 CA 1.307 37 residues pruned to eliminate duplicates Z: 44 28.306 2.039 0.501 0.539 0.930 0.535 CA 1.460 44 residues pruned to eliminate duplicates Z: 46 29.226 2.033 0.591 0.527 0.911 0.556 CA 1.439 46 residues pruned to eliminate duplicates Z: 77 41.934 2.133 0.574 0.557 0.921 0.579 CA 1.473 77 residues pruned to eliminate duplicates Z: 78 41.463 2.107 0.598 0.553 0.909 0.532 CA 1.466 78 residues pruned to eliminate duplicates Z: 35 32.713 2.098 0.676 0.652 1.000 0.706 CA 1.385 35 residues pruned to eliminate duplicates Z: 36 27.640 2.057 0.639 0.582 0.886 0.629 CA 1.446 36 residues pruned to eliminate duplicates Z: 47 28.467 2.027 0.570 0.512 0.891 0.565 CA 1.463 47 residues pruned to eliminate duplicates Z: 33 29.400 2.103 0.668 0.624 0.906 0.438 CA 1.454 33 residues pruned to eliminate duplicates Z: 67 37.701 2.092 0.631 0.550 0.909 0.561 CA 1.425 67 residues pruned to eliminate duplicates Z: 78 44.179 2.118 0.631 0.550 0.909 0.442 CA 1.527 78 residues pruned to eliminate duplicates Z: 37 28.873 2.071 0.648 0.591 0.917 0.500 CA 1.409 37 residues pruned to eliminate duplicates Z: 80 39.164 2.086 0.554 0.527 0.899 0.481 CA 1.473 80 residues pruned to eliminate duplicates Z: 39 28.168 2.048 0.607 0.537 0.868 0.500 CA 1.542 39 residues pruned to eliminate duplicates Z: 77 46.934 2.118 0.655 0.571 0.961 0.579 CA 1.493 77 residues pruned to eliminate duplicates Z: 13 17.923 2.006 0.688 0.852 0.917 0.333 CA 1.233 13 residues pruned to eliminate duplicates Z: 73 41.405 2.123 0.611 0.531 0.903 0.458 CA 1.533 73 residues pruned to eliminate duplicates Z: 63 43.036 2.139 0.722 0.576 0.919 0.548 CA 1.500 63 residues pruned to eliminate duplicates Z: 69 42.403 2.132 0.618 0.563 0.941 0.574 CA 1.490 69 residues pruned to eliminate duplicates Z: 41 25.112 2.039 0.600 0.432 0.875 0.400 CA 1.493 41 residues pruned to eliminate duplicates Z: 70 44.310 2.121 0.647 0.582 0.942 0.493 CA 1.498 70 residues pruned to eliminate duplicates Z: 13 19.284 2.141 0.632 0.738 0.917 0.500 CA 1.405 13 residues pruned to eliminate duplicates Z: 72 42.709 2.115 0.618 0.572 0.915 0.535 CA 1.510 72 residues pruned to eliminate duplicates Z: 60 35.040 2.084 0.652 0.551 0.864 0.475 CA 1.459 60 residues pruned to eliminate duplicates Z: 34 21.199 2.065 0.419 0.418 0.909 0.576 CA 1.510 34 residues pruned to eliminate duplicates Z: 8 13.108 1.878 0.817 0.617 1.000 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 40 24.873 2.076 0.510 0.504 0.846 0.487 CA 1.496 40 residues pruned to eliminate duplicates Z: 75 40.666 2.111 0.566 0.566 0.905 0.514 CA 1.482 75 residues pruned to eliminate duplicates Z: 80 39.719 2.116 0.626 0.529 0.861 0.392 CA 1.467 80 residues pruned to eliminate duplicates Z: 39 23.648 2.073 0.488 0.510 0.842 0.447 CA 1.462 39 residues pruned to eliminate duplicates Z: 42 26.915 2.126 0.453 0.521 0.854 0.488 CA 1.562 42 residues pruned to eliminate duplicates Z: 80 37.531 2.095 0.534 0.545 0.848 0.468 CA 1.481 80 residues pruned to eliminate duplicates Z: 71 44.675 2.146 0.645 0.595 0.929 0.471 CA 1.487 71 residues pruned to eliminate duplicates Z: 35 22.519 2.079 0.643 0.445 0.794 0.441 CA 1.507 35 residues pruned to eliminate duplicates Z: 24 16.611 2.105 0.328 0.433 0.826 0.522 CA 1.607 24 residues pruned to eliminate duplicates Z: 26 17.363 2.088 0.431 0.428 0.880 0.560 CA 1.423 26 residues pruned to eliminate duplicates Z: 43 26.541 2.085 0.602 0.448 0.857 0.405 CA 1.509 43 residues pruned to eliminate duplicates Z: 21 19.649 2.053 0.604 0.434 0.850 0.550 CA 1.680 21 residues pruned to eliminate duplicates Z: 32 21.765 2.081 0.605 0.405 0.871 0.548 CA 1.485 32 residues pruned to eliminate duplicates Z: 18 15.577 2.138 0.620 0.307 0.882 0.471 CA 1.532 18 residues pruned to eliminate duplicates Z: 80 43.173 2.114 0.611 0.547 0.911 0.405 CA 1.495 80 residues pruned to eliminate duplicates Z: 20 15.766 2.080 0.549 0.378 0.789 0.368 CA 1.620 20 residues pruned to eliminate duplicates Z: 46 30.417 2.117 0.666 0.515 0.889 0.444 CA 1.424 46 residues pruned to eliminate duplicates Z: 26 18.206 2.110 0.435 0.457 0.840 0.520 CA 1.496 26 residues pruned to eliminate duplicates Z: 10 11.220 1.753 0.633 0.735 1.000 0.556 CA 1.058 10 residues pruned to eliminate duplicates Z: 39 24.066 2.075 0.564 0.510 0.842 0.474 CA 1.414 39 residues pruned to eliminate duplicates Z: 66 42.521 2.104 0.670 0.601 0.908 0.492 CA 1.503 66 residues pruned to eliminate duplicates Z: 25 17.634 2.133 0.500 0.437 0.833 0.500 CA 1.442 25 residues pruned to eliminate duplicates Z: 78 42.703 2.110 0.584 0.571 0.922 0.519 CA 1.474 78 residues pruned to eliminate duplicates Z: 24 20.201 2.097 0.488 0.461 0.913 0.435 CA 1.539 24 residues pruned to eliminate duplicates Z: 6 3.091 1.702 0.570 0.671 0.400 0.200 CA 1.104 6 residues pruned to eliminate duplicates Z: 27 14.918 1.949 0.437 0.323 0.923 0.385 CA 1.375 28 residues pruned to eliminate duplicates Z: 6 2.819 1.435 0.265 0.372 1.000 0.000 CA 0.796 6 residues pruned to eliminate duplicates Z: 22 12.354 1.951 0.351 0.368 0.905 0.524 CB 1.302 22 residues pruned to eliminate duplicates Z: 19 13.047 2.049 0.350 0.379 0.944 0.611 CA 1.339 19 residues pruned to eliminate duplicates Z: 22 12.140 1.958 0.400 0.265 0.952 0.476 CA 1.327 22 residues pruned to eliminate duplicates Z: 21 15.110 2.017 0.439 0.385 0.950 0.550 CA 1.384 21 residues pruned to eliminate duplicates Z: 23 14.974 1.934 0.429 0.396 0.955 0.500 CA 1.350 23 residues pruned to eliminate duplicates Z: 20 14.774 2.054 0.432 0.414 0.895 0.579 CA 1.409 20 residues pruned to eliminate duplicates Z: 28 15.631 2.000 0.410 0.366 0.926 0.407 CB 1.330 28 residues pruned to eliminate duplicates Z: 21 14.984 2.002 0.388 0.390 1.000 0.450 CB 1.354 21 residues pruned to eliminate duplicates Z: 24 12.821 1.916 0.266 0.334 0.870 0.391 CA 1.520 24 residues pruned to eliminate duplicates Z: 21 13.601 2.016 0.435 0.415 0.850 0.600 CB 1.352 21 residues pruned to eliminate duplicates Z: 12 8.780 2.014 0.287 0.371 0.909 0.545 CA 1.290 12 residues pruned to eliminate duplicates Z: 24 12.848 1.899 0.501 0.387 0.783 0.522 CA 1.354 24 residues pruned to eliminate duplicates Z: 51 20.881 2.019 0.347 0.410 0.860 0.520 CA 1.387 51 residues pruned to eliminate duplicates Z: 26 11.153 1.946 0.413 0.338 0.800 0.400 CA 1.210 26 residues pruned to eliminate duplicates Z: 23 12.044 1.918 0.512 0.281 0.955 0.545 CB 1.188 23 residues pruned to eliminate duplicates Z: 52 17.895 2.005 0.318 0.369 0.804 0.471 CA 1.357 52 residues pruned to eliminate duplicates Z: 36 16.972 2.002 0.348 0.374 0.943 0.457 CB 1.290 36 residues pruned to eliminate duplicates Z: 27 12.022 1.917 0.319 0.341 0.923 0.423 CA 1.201 27 residues pruned to eliminate duplicates 6 1.935 1.670 0.048 0.292 0.800 0.000 CB 0.780 ? Z: 9 5.260 1.829 0.850 0.438 0.625 0.375 CB 0.937 9 residues pruned to eliminate duplicates Z: 28 17.992 2.065 0.659 0.437 0.852 0.556 CB 1.266 30 residues pruned to eliminate duplicates Z: 6 4.511 1.667 1.019 0.278 0.600 0.400 O 1.284 6 residues pruned to eliminate duplicates Z: 32 17.219 1.964 0.630 0.451 0.871 0.548 CB 1.167 32 residues pruned to eliminate duplicates Z: 33 16.701 1.985 0.594 0.446 0.844 0.594 CB 1.169 31 residues pruned to eliminate duplicates Z: 6 7.208 1.819 0.399 0.439 1.000 0.600 N 1.349 6 residues pruned to eliminate duplicates Z: 30 19.216 2.057 0.693 0.463 0.862 0.552 CB 1.234 30 residues pruned to eliminate duplicates Z: 12 14.398 2.069 0.602 0.509 0.909 0.636 CB 1.428 12 residues pruned to eliminate duplicates Z: 25 15.877 2.026 0.531 0.469 0.833 0.583 CB 1.293 25 residues pruned to eliminate duplicates Z: 29 20.477 2.039 0.580 0.483 0.929 0.643 CB 1.316 29 residues pruned to eliminate duplicates Z: 25 20.630 2.018 0.692 0.510 0.958 0.625 CB 1.274 25 residues pruned to eliminate duplicates Z: 31 19.195 2.015 0.660 0.462 0.833 0.600 CB 1.307 31 residues pruned to eliminate duplicates Z: 50 21.943 2.019 0.485 0.403 0.857 0.469 CB 1.350 50 residues pruned to eliminate duplicates Z: 29 21.870 1.998 0.811 0.511 0.929 0.607 CB 1.217 29 residues pruned to eliminate duplicates Z: 21 19.903 2.087 0.664 0.438 0.950 0.450 CB 1.437 24 residues pruned to eliminate duplicates Z: 7 3.198 1.591 0.284 0.458 0.667 0.667 CA 1.001 7 residues pruned to eliminate duplicates Z: 31 18.463 2.053 0.354 0.370 0.867 0.533 CB 1.609 31 residues pruned to eliminate duplicates Z: 32 16.149 2.058 0.235 0.403 0.839 0.484 CB 1.507 32 residues pruned to eliminate duplicates Z: 32 15.143 2.017 0.372 0.352 0.806 0.419 CB 1.430 32 residues pruned to eliminate duplicates Z: 11 8.542 1.934 0.259 0.327 0.900 0.500 CA 1.490 11 residues pruned to eliminate duplicates Z: 13 8.249 1.903 0.440 0.251 0.833 0.417 N 1.388 13 residues pruned to eliminate duplicates Z: 20 9.049 1.942 0.284 0.297 0.684 0.421 CB 1.526 20 residues pruned to eliminate duplicates Z: 32 15.867 2.017 0.386 0.352 0.806 0.452 CB 1.484 32 residues pruned to eliminate duplicates Z: 21 13.425 1.947 0.365 0.378 0.900 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 33 16.785 2.040 0.243 0.400 0.875 0.562 CB 1.487 33 residues pruned to eliminate duplicates Z: 25 14.578 2.081 0.336 0.289 0.833 0.458 CB 1.628 25 residues pruned to eliminate duplicates Z: 49 16.032 2.032 0.291 0.295 0.792 0.417 CB 1.402 49 residues pruned to eliminate duplicates Z: 37 13.595 2.094 0.306 0.282 0.750 0.417 CB 1.412 37 residues pruned to eliminate duplicates Z: 17 7.691 1.991 0.132 0.407 0.750 0.375 CB 1.255 17 residues pruned to eliminate duplicates Z: 54 14.519 1.920 0.308 0.294 0.736 0.434 CB 1.359 54 residues pruned to eliminate duplicates Z: 12 11.352 2.146 0.392 0.478 0.818 0.636 CB 1.432 12 residues pruned to eliminate duplicates Z: 12 10.948 2.247 0.485 0.324 0.818 0.455 CB 1.468 12 residues pruned to eliminate duplicates Z: 34 18.432 1.980 0.421 0.383 0.909 0.455 CB 1.420 34 residues pruned to eliminate duplicates Z: 34 17.298 1.980 0.490 0.391 0.818 0.485 CB 1.400 35 residues pruned to eliminate duplicates Z: 32 15.306 1.994 0.270 0.369 0.839 0.548 CB 1.490 32 residues pruned to eliminate duplicates Z: 15 11.087 2.057 0.344 0.309 0.786 0.429 CA 1.687 15 residues pruned to eliminate duplicates Z: 22 12.190 2.071 0.165 0.387 0.810 0.524 CB 1.536 22 residues pruned to eliminate duplicates Z: 34 15.993 2.000 0.337 0.380 0.818 0.545 CB 1.446 34 residues pruned to eliminate duplicates Z: 31 13.753 2.132 0.418 0.272 0.767 0.400 CB 1.402 30 residues pruned to eliminate duplicates Z: 7 4.974 1.924 0.215 0.372 0.667 0.333 CB 1.494 7 residues pruned to eliminate duplicates Z: 14 7.939 2.212 0.456 0.129 0.923 0.231 CB 1.178 14 residues pruned to eliminate duplicates Z: 30 13.797 2.167 0.403 0.230 0.862 0.310 CB 1.339 30 residues pruned to eliminate duplicates Z: 40 14.175 1.997 0.360 0.263 0.795 0.436 CB 1.379 40 residues pruned to eliminate duplicates Z: 15 6.821 2.141 0.137 0.185 0.786 0.214 CB 1.392 15 residues pruned to eliminate duplicates 6 1.075 1.569 -0.302 0.289 0.600 0.200 CB 0.926 ? Z: 8 7.185 1.740 0.332 0.435 0.857 0.429 C 1.461 8 residues pruned to eliminate duplicates Z: 10 6.057 1.667 0.381 0.319 0.778 0.556 CB 1.377 9 residues pruned to eliminate duplicates Z: 8 8.368 1.895 0.528 0.368 0.857 0.571 CA 1.468 8 residues pruned to eliminate duplicates Z: 14 8.587 1.808 0.353 0.316 0.846 0.538 CB 1.410 13 residues pruned to eliminate duplicates Z: 17 11.176 1.868 0.342 0.395 0.812 0.438 N 1.532 17 residues pruned to eliminate duplicates Z: 10 3.917 1.576 0.286 0.224 0.778 0.333 N 1.144 10 residues pruned to eliminate duplicates Z: 27 23.574 2.061 0.382 0.676 0.923 0.808 CB 1.495 27 residues pruned to eliminate duplicates Z: 27 30.609 2.061 0.682 0.703 0.923 0.769 CB 1.559 27 residues pruned to eliminate duplicates Z: 50 29.956 2.091 0.604 0.408 0.878 0.592 CA 1.602 30 residues pruned to eliminate duplicates Z: 19 16.445 2.074 0.326 0.777 0.889 0.778 CB 1.242 19 residues pruned to eliminate duplicates Z: 24 25.160 2.132 0.496 0.626 0.913 0.739 CB 1.600 24 residues pruned to eliminate duplicates Z: 47 28.878 2.159 0.728 0.388 0.826 0.543 CB 1.555 33 residues pruned to eliminate duplicates Z: 15 24.448 2.224 0.883 0.909 0.929 0.786 CB 1.193 15 residues pruned to eliminate duplicates Z: 28 23.604 2.045 0.567 0.663 0.889 0.704 CB 1.372 28 residues pruned to eliminate duplicates Z: 49 28.620 2.179 0.661 0.444 0.854 0.521 CB 1.416 32 residues pruned to eliminate duplicates Z: 14 23.098 2.125 0.752 0.927 1.000 0.769 CB 1.206 14 residues pruned to eliminate duplicates Z: 48 32.568 2.168 0.662 0.467 0.872 0.553 CB 1.563 18 residues pruned to eliminate duplicates Z: 15 27.179 2.247 0.849 0.894 0.929 0.714 CB 1.351 15 residues pruned to eliminate duplicates Z: 32 21.865 1.967 0.451 0.563 0.903 0.581 CB 1.434 32 residues pruned to eliminate duplicates Z: 27 26.680 2.072 0.681 0.604 0.923 0.731 CB 1.474 27 residues pruned to eliminate duplicates Z: 29 26.136 1.998 0.550 0.668 0.929 0.643 CB 1.471 29 residues pruned to eliminate duplicates Z: 33 23.488 2.163 0.610 0.429 0.906 0.625 CB 1.416 33 residues pruned to eliminate duplicates Z: 39 27.465 2.130 0.646 0.454 0.921 0.526 CB 1.447 39 residues pruned to eliminate duplicates Z: 33 19.539 2.140 0.760 0.337 0.781 0.531 CB 1.402 33 residues pruned to eliminate duplicates Z: 57 31.603 2.016 0.744 0.472 0.857 0.571 CB 1.442 57 residues pruned to eliminate duplicates Z: 34 18.186 2.088 0.707 0.363 0.788 0.485 CB 1.307 34 residues pruned to eliminate duplicates Z: 48 31.832 2.175 0.638 0.415 0.894 0.596 CB 1.594 48 residues pruned to eliminate duplicates Z: 26 19.723 2.144 0.781 0.351 0.920 0.400 CB 1.319 16 residues pruned to eliminate duplicates Z: 10 6.923 1.591 0.323 0.540 1.000 0.333 CA 1.053 10 residues pruned to eliminate duplicates Z: 33 22.951 2.158 0.690 0.383 0.875 0.562 CB 1.439 33 residues pruned to eliminate duplicates Z: 62 31.747 2.111 0.646 0.430 0.869 0.574 CB 1.448 62 residues pruned to eliminate duplicates Z: 15 11.481 2.042 0.760 0.196 0.929 0.357 CB 1.321 Z: 12 12.741 2.202 0.680 0.222 1.000 0.364 CA 1.438 12 residues pruned to eliminate duplicates Z: 56 32.463 2.136 0.618 0.444 0.891 0.527 CB 1.505 56 residues pruned to eliminate duplicates Z: 56 34.627 2.141 0.746 0.484 0.891 0.618 CB 1.425 56 residues pruned to eliminate duplicates Z: 30 23.279 2.155 0.814 0.397 0.862 0.552 CB 1.430 30 residues pruned to eliminate duplicates Z: 47 28.857 2.147 0.727 0.381 0.826 0.543 CB 1.578 47 residues pruned to eliminate duplicates Z: 56 35.855 2.163 0.722 0.475 0.873 0.618 CB 1.526 56 residues pruned to eliminate duplicates Z: 29 13.618 2.051 0.688 0.212 0.714 0.393 CB 1.462 29 residues pruned to eliminate duplicates Z: 21 20.355 2.153 0.851 0.469 0.800 0.500 CB 1.474 21 residues pruned to eliminate duplicates Z: 50 31.059 2.153 0.770 0.444 0.837 0.531 CB 1.474 50 residues pruned to eliminate duplicates Z: 30 22.643 2.162 0.723 0.399 0.828 0.517 CB 1.517 30 residues pruned to eliminate duplicates Z: 56 33.008 2.145 0.657 0.438 0.873 0.527 CB 1.530 56 residues pruned to eliminate duplicates Z: 80 37.532 2.031 0.697 0.457 0.873 0.418 CB 1.466 80 residues pruned to eliminate duplicates Z: 55 34.992 2.170 0.702 0.457 0.852 0.481 CB 1.581 55 residues pruned to eliminate duplicates Z: 28 22.975 2.200 0.837 0.391 0.852 0.519 CA 1.443 28 residues pruned to eliminate duplicates Z: 46 30.741 2.147 0.665 0.456 0.889 0.644 CB 1.508 44 residues pruned to eliminate duplicates Z: 10 13.728 1.800 0.672 0.893 1.000 0.889 CB 1.091 Z: 32 23.467 2.149 0.758 0.345 0.903 0.484 CB 1.462 42 residues pruned to eliminate duplicates Z: 22 17.361 2.058 0.678 0.412 0.857 0.524 CB 1.403 Z: 10 12.534 1.816 0.679 0.878 1.000 0.889 CB 0.995 11 residues pruned to eliminate duplicates Z: 15 4.033 1.376 0.654 0.242 0.786 0.286 CB 0.812 21 residues pruned to eliminate duplicates Z: 10 11.840 1.877 0.567 0.746 0.889 0.778 CB 1.211 10 residues pruned to eliminate duplicates Z: 14 8.480 1.823 0.603 0.429 0.846 0.462 CB 1.024 11 residues pruned to eliminate duplicates Z: 8 3.912 1.516 0.318 0.553 0.714 0.571 CB 0.984 8 residues pruned to eliminate duplicates Z: 13 8.122 1.716 0.446 0.475 0.750 0.417 CB 1.292 15 residues pruned to eliminate duplicates Z: 6 2.938 1.742 0.466 0.291 0.600 0.400 CB 1.084 Z: 8 7.415 1.848 0.749 0.421 0.857 0.714 CB 1.099 7 residues pruned to eliminate duplicates Z: 7 5.685 1.659 0.867 0.453 0.667 0.667 CB 1.179 7 residues pruned to eliminate duplicates Z: 11 12.962 2.019 0.674 0.541 0.900 0.500 CA 1.295 11 residues pruned to eliminate duplicates Z: 13 10.853 1.898 0.675 0.477 0.917 0.500 CB 1.100 13 residues pruned to eliminate duplicates Z: 12 12.747 1.940 0.824 0.531 0.909 0.545 CA 1.159 12 residues pruned to eliminate duplicates Z: 7 3.875 1.732 0.202 0.380 0.833 0.333 CB 1.036 7 residues pruned to eliminate duplicates Z: 12 10.847 1.955 0.599 0.511 0.909 0.455 CA 1.138 12 residues pruned to eliminate duplicates Z: 14 9.686 1.823 0.529 0.479 0.846 0.385 CB 1.164 14 residues pruned to eliminate duplicates Z: 13 11.399 1.909 0.738 0.575 0.833 0.500 CA 1.108 12 residues pruned to eliminate duplicates Z: 6 4.523 1.289 0.681 0.477 1.000 0.800 CA 0.955 Z: 11 26.894 2.377 0.493 0.917 0.900 0.800 CA 1.879 11 residues pruned to eliminate duplicates Z: 76 39.972 2.116 0.596 0.506 0.907 0.520 CB 1.498 76 residues pruned to eliminate duplicates Z: 63 40.637 2.236 0.567 0.534 0.919 0.581 CB 1.549 73 residues pruned to eliminate duplicates Z: 22 35.456 2.268 0.519 0.865 0.952 0.476 CB 1.727 22 residues pruned to eliminate duplicates Z: 28 29.387 2.165 0.463 0.625 0.926 0.630 CA 1.714 28 residues pruned to eliminate duplicates Z: 61 41.135 2.260 0.558 0.525 0.933 0.567 CB 1.577 60 residues pruned to eliminate duplicates Z: 21 40.599 2.359 0.629 0.931 1.000 0.750 CB 1.651 21 residues pruned to eliminate duplicates Z: 46 37.207 2.187 0.568 0.603 0.956 0.622 CB 1.535 46 residues pruned to eliminate duplicates Z: 63 45.189 2.262 0.647 0.550 0.935 0.516 CB 1.568 63 residues pruned to eliminate duplicates Z: 64 46.627 2.254 0.671 0.581 0.952 0.524 CB 1.515 64 residues pruned to eliminate duplicates Z: 63 43.308 2.262 0.599 0.542 0.935 0.532 CB 1.560 56 residues pruned to eliminate duplicates Z: 24 39.604 2.133 0.952 0.908 0.913 0.435 CB 1.543 24 residues pruned to eliminate duplicates Z: 78 47.340 2.151 0.687 0.562 0.922 0.390 CB 1.518 51 residues pruned to eliminate duplicates Z: 6 2.893 1.762 0.247 0.326 0.600 0.200 CB 1.188 Z: 9 8.652 2.174 0.114 0.628 0.750 0.750 CB 1.492 9 residues pruned to eliminate duplicates Z: 63 41.922 2.231 0.640 0.572 0.887 0.484 CB 1.531 63 residues pruned to eliminate duplicates Z: 63 44.735 2.225 0.715 0.567 0.919 0.532 CB 1.519 63 residues pruned to eliminate duplicates Z: 30 21.530 2.204 0.595 0.445 0.931 0.483 CB 1.292 30 residues pruned to eliminate duplicates Z: 34 25.631 2.168 0.582 0.506 0.939 0.545 CB 1.376 34 residues pruned to eliminate duplicates Z: 46 34.024 2.125 0.525 0.607 0.911 0.556 CB 1.552 42 residues pruned to eliminate duplicates Z: 10 14.553 2.074 0.394 0.861 1.000 0.778 CB 1.233 12 residues pruned to eliminate duplicates Z: 11 10.885 1.987 0.173 0.837 0.800 0.700 CB 1.380 10 residues pruned to eliminate duplicates Z: 10 13.121 2.083 0.380 0.845 0.889 0.556 CB 1.272 11 residues pruned to eliminate duplicates Z: 14 12.212 1.925 0.279 0.689 1.000 0.538 CB 1.156 Z: 12 14.685 1.926 0.855 0.617 0.909 0.455 CB 1.220 Z: 6 5.610 1.896 0.480 0.323 0.800 0.200 CB 1.358 Z: 12 12.762 2.283 0.570 0.199 0.909 0.364 CA 1.690 18 residues pruned to eliminate duplicates Z: 52 29.397 2.071 0.650 0.425 0.922 0.510 CB 1.414 66 residues pruned to eliminate duplicates Z: 23 19.602 2.221 0.864 0.328 0.909 0.318 CB 1.342 23 residues pruned to eliminate duplicates Z: 73 40.308 2.192 0.613 0.530 0.875 0.514 CB 1.491 73 residues pruned to eliminate duplicates Z: 71 41.446 2.179 0.724 0.514 0.914 0.486 CB 1.422 71 residues pruned to eliminate duplicates Z: 63 46.105 2.241 0.628 0.585 0.952 0.613 CB 1.555 66 residues pruned to eliminate duplicates Z: 29 23.140 2.155 0.858 0.358 0.821 0.464 CB 1.551 13 residues pruned to eliminate duplicates Z: 65 42.833 2.225 0.516 0.566 0.953 0.578 CB 1.562 15 residues pruned to eliminate duplicates Z: 21 14.484 1.829 0.519 0.431 0.850 0.550 CB 1.473 Z: 7 5.309 1.655 0.690 0.418 0.833 0.333 C 1.012 Z: 6 3.318 1.576 0.849 0.347 0.800 0.200 C 0.752 Z: 66 41.940 2.201 0.645 0.543 0.923 0.508 CB 1.492 66 residues pruned to eliminate duplicates Z: 16 9.670 1.914 0.574 0.345 0.800 0.267 CB 1.226 8 residues pruned to eliminate duplicates Z: 7 3.718 1.732 0.662 0.269 0.667 0.500 CA 1.029 Z: 59 38.083 2.160 0.527 0.561 0.914 0.603 CB 1.564 59 residues pruned to eliminate duplicates Z: 62 41.858 2.257 0.550 0.567 0.934 0.574 CB 1.537 83 residues pruned to eliminate duplicates Z: 39 29.431 2.041 0.492 0.562 0.921 0.579 CB 1.602 39 residues pruned to eliminate duplicates Z: 61 40.764 2.254 0.534 0.540 0.933 0.583 CB 1.567 66 residues pruned to eliminate duplicates Z: 63 40.541 2.191 0.603 0.492 0.935 0.532 CB 1.580 54 residues pruned to eliminate duplicates Z: 62 46.538 2.282 0.615 0.551 0.951 0.639 CB 1.618 62 residues pruned to eliminate duplicates Z: 74 35.832 2.169 0.457 0.510 0.890 0.493 CB 1.476 60 residues pruned to eliminate duplicates Z: 21 35.388 2.303 0.539 0.865 0.950 0.650 CB 1.722 21 residues pruned to eliminate duplicates Z: 62 41.495 2.233 0.590 0.540 0.934 0.607 CB 1.540 62 residues pruned to eliminate duplicates Z: 53 32.908 2.056 0.502 0.553 0.923 0.577 CB 1.521 53 residues pruned to eliminate duplicates Z: 74 40.469 2.170 0.581 0.532 0.890 0.507 CB 1.502 74 residues pruned to eliminate duplicates Z: 62 48.401 2.270 0.684 0.542 0.951 0.541 CB 1.637 62 residues pruned to eliminate duplicates Z: 9 7.590 1.968 0.864 0.212 0.750 0.625 CA 1.369 9 residues pruned to eliminate duplicates Z: 7 3.168 1.715 0.649 0.083 0.667 0.500 CA 1.176 7 residues pruned to eliminate duplicates Z: 9 7.084 1.962 0.790 0.211 0.750 0.500 CA 1.337 9 residues pruned to eliminate duplicates Z: 15 12.141 1.975 0.582 0.341 0.929 0.429 CA 1.330 15 residues pruned to eliminate duplicates Z: 8 5.202 1.807 0.341 0.309 0.857 0.429 CB 1.169 Z: 6 2.720 1.759 0.840 0.131 0.400 0.200 N 1.489 5 residues pruned to eliminate duplicates Z: 6 4.695 1.645 0.321 0.295 1.000 0.200 CA 1.216 8 residues pruned to eliminate duplicates Z: 9 4.946 1.847 0.365 0.292 0.750 0.375 CA 1.168 6 residues pruned to eliminate duplicates Z: 6 4.916 1.980 -0.028 0.525 0.800 0.400 CA 1.394 6 residues pruned to eliminate duplicates Z: 14 8.251 1.634 0.564 0.396 0.846 0.231 CA 1.181 15 residues pruned to eliminate duplicates Z: 6 5.995 1.915 0.275 0.468 0.800 0.200 CA 1.419 6 residues pruned to eliminate duplicates Z: 22 16.249 1.992 0.583 0.351 0.857 0.619 CA 1.541 22 residues pruned to eliminate duplicates Z: 12 6.272 1.759 0.371 0.314 0.818 0.364 CA 1.177 12 residues pruned to eliminate duplicates Z: 12 10.024 1.908 0.273 0.370 0.909 0.727 CA 1.574 12 residues pruned to eliminate duplicates Z: 25 15.875 2.015 0.453 0.369 0.833 0.625 CA 1.527 25 residues pruned to eliminate duplicates Z: 23 16.225 1.987 0.529 0.393 0.818 0.591 CA 1.559 23 residues pruned to eliminate duplicates Z: 23 15.483 1.907 0.656 0.371 0.864 0.773 CA 1.389 23 residues pruned to eliminate duplicates Z: 39 16.395 1.831 0.485 0.334 0.816 0.526 CB 1.437 39 residues pruned to eliminate duplicates Z: 6 5.680 1.518 0.675 0.396 1.000 0.600 N 1.115 6 residues pruned to eliminate duplicates Z: 24 18.361 1.961 0.610 0.401 0.913 0.739 CA 1.474 24 residues pruned to eliminate duplicates Z: 20 15.532 1.920 0.599 0.414 0.947 0.632 CA 1.339 18 residues pruned to eliminate duplicates Z: 6 8.324 1.876 0.707 0.402 1.000 0.800 CA 1.290 7 residues pruned to eliminate duplicates Z: 6 5.886 2.156 0.464 0.312 0.800 0.200 CA 1.283 6 residues pruned to eliminate duplicates Z: 13 15.593 2.150 0.937 0.388 0.833 0.583 CA 1.460 23 residues pruned to eliminate duplicates Z: 8 6.083 1.656 0.501 0.407 1.000 0.286 C 1.020 Z: 7 4.801 1.524 0.788 0.428 0.833 0.667 CA 0.929 Z: 47 26.872 2.064 0.467 0.518 0.848 0.565 CA 1.516 47 residues pruned to eliminate duplicates Z: 37 21.674 2.026 0.551 0.474 0.778 0.639 CA 1.517 37 residues pruned to eliminate duplicates Z: 41 29.409 2.089 0.619 0.531 0.900 0.650 CA 1.481 41 residues pruned to eliminate duplicates Z: 28 25.517 2.062 0.402 0.668 0.963 0.704 CA 1.510 28 residues pruned to eliminate duplicates Z: 48 33.640 2.082 0.603 0.543 0.872 0.596 CA 1.615 48 residues pruned to eliminate duplicates Z: 39 27.921 2.108 0.612 0.517 0.868 0.658 CA 1.509 47 residues pruned to eliminate duplicates Z: 6 11.648 1.851 0.963 0.479 1.000 0.600 CB 1.465 Z: 6 6.187 1.838 0.536 0.377 1.000 0.400 CA 1.117 6 residues pruned to eliminate duplicates Z: 39 28.653 2.114 0.422 0.592 0.921 0.789 CA 1.537 39 residues pruned to eliminate duplicates Z: 38 30.851 2.144 0.515 0.590 0.919 0.703 CA 1.558 38 residues pruned to eliminate duplicates Z: 41 31.583 2.112 0.534 0.572 0.925 0.625 CA 1.555 41 residues pruned to eliminate duplicates Z: 42 28.738 2.034 0.619 0.512 0.902 0.512 CB 1.492 42 residues pruned to eliminate duplicates Z: 31 24.697 2.003 0.510 0.623 0.933 0.733 CA 1.423 31 residues pruned to eliminate duplicates Z: 37 27.948 2.058 0.393 0.601 0.917 0.639 CA 1.610 37 residues pruned to eliminate duplicates Z: 41 30.622 2.129 0.545 0.584 0.950 0.650 CA 1.430 41 residues pruned to eliminate duplicates Z: 64 40.067 2.053 0.617 0.574 0.921 0.571 CB 1.539 64 residues pruned to eliminate duplicates Z: 43 25.965 2.053 0.356 0.614 0.857 0.786 CA 1.506 41 residues pruned to eliminate duplicates Z: 16 26.442 2.134 0.416 0.887 1.000 0.533 CB 1.629 16 residues pruned to eliminate duplicates Z: 32 23.950 1.992 0.492 0.575 0.871 0.548 CB 1.546 32 residues pruned to eliminate duplicates Z: 26 32.852 2.147 0.598 0.742 0.960 0.680 CA 1.607 26 residues pruned to eliminate duplicates Z: 35 29.128 2.087 0.491 0.639 0.912 0.471 CB 1.546 35 residues pruned to eliminate duplicates Z: 51 33.207 1.990 0.652 0.669 0.880 0.640 CB 1.389 41 residues pruned to eliminate duplicates Z: 11 17.658 2.015 0.838 0.841 0.800 0.300 CB 1.406 11 residues pruned to eliminate duplicates Z: 31 26.550 2.062 0.602 0.628 0.833 0.567 CB 1.561 31 residues pruned to eliminate duplicates Z: 57 35.101 2.015 0.701 0.553 0.875 0.536 CB 1.485 57 residues pruned to eliminate duplicates Z: 19 30.739 2.093 0.726 0.893 0.889 0.611 CB 1.620 19 residues pruned to eliminate duplicates Z: 56 28.717 2.017 0.518 0.526 0.818 0.509 CA 1.507 56 residues pruned to eliminate duplicates Z: 64 42.682 2.044 0.705 0.622 0.937 0.603 CB 1.468 64 residues pruned to eliminate duplicates Z: 51 29.587 2.038 0.639 0.526 0.800 0.500 CB 1.526 51 residues pruned to eliminate duplicates Z: 64 38.578 1.990 0.703 0.559 0.921 0.508 CA 1.470 59 residues pruned to eliminate duplicates Z: 15 11.037 1.831 0.014 0.784 1.000 0.714 CA 1.238 15 residues pruned to eliminate duplicates Z: 62 34.350 2.014 0.587 0.626 0.885 0.557 CB 1.380 61 residues pruned to eliminate duplicates Z: 12 15.410 1.815 0.350 0.874 1.000 0.545 CA 1.380 12 residues pruned to eliminate duplicates Z: 48 39.251 2.100 0.640 0.605 0.915 0.489 CB 1.645 48 residues pruned to eliminate duplicates Z: 22 16.961 1.907 0.632 0.657 0.857 0.524 CA 1.199 22 residues pruned to eliminate duplicates Z: 53 39.927 2.028 0.793 0.629 0.885 0.519 CB 1.524 53 residues pruned to eliminate duplicates Z: 22 21.253 1.917 0.746 0.681 0.952 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 23 18.965 1.857 0.781 0.576 0.864 0.545 CA 1.315 23 residues pruned to eliminate duplicates Z: 24 25.258 1.964 0.977 0.564 0.913 0.609 CB 1.396 24 residues pruned to eliminate duplicates Z: 60 32.586 2.000 0.643 0.577 0.864 0.475 CB 1.386 60 residues pruned to eliminate duplicates Z: 54 38.397 2.032 0.706 0.658 0.849 0.585 CB 1.548 54 residues pruned to eliminate duplicates Z: 52 42.020 2.041 0.761 0.657 0.922 0.490 CB 1.537 52 residues pruned to eliminate duplicates Z: 52 35.548 2.020 0.531 0.687 0.922 0.569 CB 1.471 53 residues pruned to eliminate duplicates Z: 6 7.738 1.619 0.617 0.700 1.000 0.400 CA 1.101 6 residues pruned to eliminate duplicates Z: 15 10.033 1.796 0.422 0.350 0.929 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 13 12.753 1.851 0.386 0.452 1.000 0.417 CA 1.506 13 residues pruned to eliminate duplicates Z: 15 12.266 1.897 0.275 0.471 0.929 0.571 N 1.502 15 residues pruned to eliminate duplicates Z: 19 14.493 1.840 0.443 0.460 0.944 0.500 CB 1.419 19 residues pruned to eliminate duplicates Z: 15 11.044 1.915 0.186 0.475 0.857 0.500 CA 1.556 15 residues pruned to eliminate duplicates Z: 15 11.824 1.932 0.152 0.508 0.929 0.429 CA 1.517 15 residues pruned to eliminate duplicates Z: 18 10.958 1.840 0.420 0.443 0.765 0.529 CB 1.410 18 residues pruned to eliminate duplicates Z: 21 12.521 1.862 0.381 0.357 0.900 0.500 CB 1.412 21 residues pruned to eliminate duplicates Z: 22 13.024 1.756 0.539 0.356 0.905 0.476 CB 1.357 22 residues pruned to eliminate duplicates Z: 28 14.817 1.903 0.389 0.402 0.889 0.593 CB 1.345 28 residues pruned to eliminate duplicates Z: 30 14.317 1.936 0.380 0.404 0.828 0.552 CB 1.330 30 residues pruned to eliminate duplicates Z: 29 14.731 1.848 0.435 0.395 0.893 0.679 CB 1.315 29 residues pruned to eliminate duplicates Z: 15 8.590 1.918 0.531 0.404 0.786 0.643 CB 1.101 15 residues pruned to eliminate duplicates Z: 16 7.829 1.853 0.621 0.349 0.800 0.533 CB 0.991 16 residues pruned to eliminate duplicates Z: 28 15.010 1.893 0.490 0.417 0.852 0.519 CB 1.310 28 residues pruned to eliminate duplicates Z: 30 11.331 1.849 0.255 0.372 0.828 0.552 CB 1.256 30 residues pruned to eliminate duplicates Z: 38 10.667 1.726 0.274 0.326 0.865 0.378 CB 1.117 38 residues pruned to eliminate duplicates Z: 12 6.719 1.832 0.376 0.490 0.727 0.636 CB 1.116 12 residues pruned to eliminate duplicates Z: 21 9.688 1.846 0.377 0.383 0.850 0.600 CB 1.135 21 residues pruned to eliminate duplicates Z: 14 6.631 1.802 0.554 0.404 0.846 0.615 CB 0.859 14 residues pruned to eliminate duplicates Z: 21 6.911 1.876 0.249 0.336 0.750 0.550 CB 1.053 21 residues pruned to eliminate duplicates Z: 30 13.751 1.871 0.385 0.425 0.828 0.621 CA 1.287 35 residues pruned to eliminate duplicates Z: 6 2.163 1.725 1.019 0.455 0.600 0.600 CB 0.485 6 residues pruned to eliminate duplicates Z: 19 12.723 2.007 0.367 0.463 0.833 0.500 CA 1.362 19 residues pruned to eliminate duplicates Z: 15 10.001 2.051 0.367 0.455 0.786 0.571 CB 1.270 15 residues pruned to eliminate duplicates Z: 20 9.305 1.910 0.366 0.434 0.789 0.421 CB 1.110 20 residues pruned to eliminate duplicates Z: 6 2.515 1.755 0.392 0.295 0.800 0.600 CB 0.724 6 residues pruned to eliminate duplicates Z: 14 13.558 2.076 0.564 0.522 0.923 0.692 CB 1.228 14 residues pruned to eliminate duplicates Z: 16 9.895 1.839 0.384 0.411 0.800 0.600 CB 1.377 16 residues pruned to eliminate duplicates Z: 30 12.796 1.920 0.419 0.415 0.793 0.621 CB 1.202 30 residues pruned to eliminate duplicates Z: 29 14.058 1.943 0.265 0.442 0.893 0.571 CB 1.285 29 residues pruned to eliminate duplicates 622 residues left after pruning, divided into chains as follows: A: 11 B: 8 C: 6 D: 8 E: 13 F: 14 G: 10 H: 14 I: 41 J: 12 K: 81 L: 50 M: 8 N: 33 O: 46 P: 9 Q: 10 R: 21 S: 61 T: 6 U: 17 V: 33 W: 62 X: 48 CC for partial structure against native data = 23.40 % ------------------------------------------------------------------------------ Global autotracing cycle 17 = 0.300, Contrast = 0.395, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.453, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.527, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.534, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.542, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.547, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.552, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.557, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.558, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6664 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1278 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 16.468 2.080 0.726 0.254 0.917 0.458 CB 1.355 B: 24 16.662 2.110 0.731 0.277 0.870 0.478 CB 1.408 24 residues pruned to eliminate duplicates C: 12 16.549 2.112 0.495 0.860 0.818 0.727 CA 1.421 D: 18 24.792 2.108 0.651 0.892 0.941 0.824 CB 1.319 E: 20 34.603 2.296 0.436 0.919 1.000 1.000 CB 1.696 F: 12 21.867 2.122 0.590 0.910 0.909 0.545 CA 1.524 12 residues pruned to eliminate duplicates G: 19 38.022 2.334 0.589 0.902 1.000 0.944 CB 1.723 20 residues pruned to eliminate duplicates H: 19 20.501 1.950 0.576 0.905 1.000 0.889 CB 1.119 19 residues pruned to eliminate duplicates I: 10 10.685 1.960 0.147 0.873 1.000 0.667 CB 1.154 J: 22 29.433 2.215 0.411 0.852 0.952 0.714 CB 1.596 22 residues pruned to eliminate duplicates K: 21 21.677 2.099 0.646 0.520 0.950 0.700 CB 1.449 L: 20 32.812 2.123 0.618 0.885 1.000 0.632 CA 1.583 M: 14 22.264 2.237 0.435 0.887 1.000 0.769 CB 1.387 14 residues pruned to eliminate duplicates N: 22 32.807 2.224 0.332 0.900 0.952 0.905 CB 1.812 21 residues pruned to eliminate duplicates O: 32 20.107 2.135 0.618 0.368 0.839 0.548 CA 1.437 24 residues pruned to eliminate duplicates P: 23 33.509 2.211 0.680 0.836 0.909 0.636 CB 1.584 23 residues pruned to eliminate duplicates Q: 12 19.619 2.322 0.358 0.860 0.909 0.818 CB 1.517 12 residues pruned to eliminate duplicates R: 22 28.010 2.180 0.275 0.894 0.952 0.810 CB 1.657 22 residues pruned to eliminate duplicates S: 74 40.464 2.135 0.596 0.537 0.890 0.507 CB 1.505 30 residues pruned to eliminate duplicates T: 18 28.156 2.131 0.534 0.884 1.000 0.588 CA 1.510 18 residues pruned to eliminate duplicates U: 16 11.259 1.799 0.764 0.422 0.867 0.533 CB 1.146 V: 16 24.791 2.149 0.612 0.914 1.000 0.867 CB 1.307 15 residues pruned to eliminate duplicates W: 21 23.443 2.059 0.409 0.889 0.950 0.750 CA 1.370 21 residues pruned to eliminate duplicates X: 12 7.842 1.840 0.484 0.434 0.727 0.455 CB 1.276 Y: 21 30.544 2.283 0.310 0.905 1.000 0.900 CB 1.626 21 residues pruned to eliminate duplicates Z: 35 19.059 2.051 0.852 0.388 0.706 0.412 CB 1.373 35 residues pruned to eliminate duplicates Z: 36 17.300 1.983 0.415 0.395 0.886 0.571 CB 1.315 7 residues pruned to eliminate duplicates Z: 6 4.550 1.399 0.577 0.782 0.800 0.800 CA 0.899 Z: 15 9.205 1.974 0.671 0.282 0.714 0.500 CB 1.334 15 residues pruned to eliminate duplicates Z: 19 13.074 1.846 0.508 0.430 0.889 0.667 CA 1.340 21 residues pruned to eliminate duplicates Z: 8 12.593 1.983 0.668 0.713 1.000 0.571 CB 1.187 Z: 18 15.648 2.057 0.874 0.411 0.824 0.529 CA 1.313 Z: 21 34.998 2.244 0.459 0.924 1.000 0.800 CB 1.678 21 residues pruned to eliminate duplicates Z: 13 5.432 1.711 0.317 0.403 0.667 0.417 CA 1.156 Z: 16 19.566 1.948 0.384 0.895 0.933 0.733 CB 1.439 Z: 23 35.566 2.154 0.614 0.883 1.000 0.636 CB 1.577 23 residues pruned to eliminate duplicates Z: 10 12.457 1.906 0.237 0.868 0.778 0.556 CA 1.656 9 residues pruned to eliminate duplicates Z: 21 40.831 2.292 0.671 0.885 1.000 0.750 CB 1.721 21 residues pruned to eliminate duplicates Z: 18 19.236 1.950 0.469 0.835 0.941 0.706 CB 1.297 18 residues pruned to eliminate duplicates Z: 20 27.802 2.048 0.592 0.905 0.947 0.789 CA 1.470 20 residues pruned to eliminate duplicates Z: 63 39.854 2.052 0.636 0.595 0.935 0.484 CB 1.472 33 residues pruned to eliminate duplicates Z: 8 7.885 1.630 0.299 0.761 1.000 0.714 CB 1.116 Z: 11 9.650 1.811 0.385 0.512 0.900 0.700 CA 1.335 Z: 43 31.841 2.140 0.613 0.507 0.929 0.619 CA 1.522 12 residues pruned to eliminate duplicates Z: 9 15.078 1.950 0.639 0.822 1.000 0.500 CA 1.261 9 residues pruned to eliminate duplicates Z: 21 13.495 2.156 0.305 0.376 0.750 0.450 CB 1.632 Z: 24 14.358 1.917 0.351 0.338 0.957 0.696 CB 1.442 Z: 22 38.180 2.149 0.646 0.888 1.000 0.667 CB 1.697 22 residues pruned to eliminate duplicates Z: 12 9.931 1.961 0.796 0.501 0.818 0.727 CB 1.038 12 residues pruned to eliminate duplicates Z: 62 41.657 2.072 0.701 0.585 0.934 0.574 CA 1.492 44 residues pruned to eliminate duplicates Z: 27 20.310 2.036 0.712 0.329 0.885 0.423 CB 1.558 27 residues pruned to eliminate duplicates Z: 17 19.618 2.016 0.298 0.880 0.938 0.938 CB 1.449 17 residues pruned to eliminate duplicates Z: 21 46.348 2.278 0.941 0.917 1.000 0.500 CB 1.654 21 residues pruned to eliminate duplicates Z: 20 11.880 1.859 0.508 0.433 0.842 0.684 CB 1.237 20 residues pruned to eliminate duplicates Z: 8 7.763 1.907 0.172 0.560 0.857 0.714 CA 1.444 8 residues pruned to eliminate duplicates Z: 20 29.513 2.102 0.551 0.869 0.947 0.632 CA 1.601 20 residues pruned to eliminate duplicates Z: 65 44.372 2.117 0.681 0.602 0.938 0.484 CA 1.509 65 residues pruned to eliminate duplicates Z: 15 12.288 1.896 0.533 0.463 0.857 0.714 CB 1.369 Z: 9 8.679 1.861 0.553 0.537 0.750 0.625 CB 1.364 9 residues pruned to eliminate duplicates Z: 64 41.198 2.213 0.523 0.558 0.952 0.619 CB 1.528 31 residues pruned to eliminate duplicates Z: 64 43.984 2.043 0.703 0.636 0.921 0.651 CB 1.523 43 residues pruned to eliminate duplicates Z: 9 8.830 1.973 0.439 0.601 0.750 0.375 CB 1.333 8 residues pruned to eliminate duplicates Z: 20 37.985 2.315 0.654 0.876 1.000 0.579 CB 1.655 20 residues pruned to eliminate duplicates Z: 37 18.259 1.979 0.564 0.405 0.861 0.556 CB 1.261 21 residues pruned to eliminate duplicates Z: 20 25.634 2.060 0.424 0.893 0.947 0.842 CB 1.519 20 residues pruned to eliminate duplicates Z: 13 20.622 2.009 0.733 0.890 0.917 0.833 CA 1.342 13 residues pruned to eliminate duplicates Z: 9 18.042 2.087 0.630 0.804 1.000 0.750 CA 1.437 Z: 31 15.364 1.898 0.461 0.354 0.867 0.633 CB 1.367 24 residues pruned to eliminate duplicates Z: 6 6.503 2.129 0.403 0.524 0.600 0.600 CA 1.586 8 residues pruned to eliminate duplicates Z: 21 35.630 2.194 0.598 0.894 1.000 0.800 CA 1.631 21 residues pruned to eliminate duplicates Z: 11 16.057 1.915 0.744 0.708 1.000 0.800 CA 1.258 9 residues pruned to eliminate duplicates Z: 15 10.110 2.118 0.258 0.360 0.786 0.429 CB 1.501 15 residues pruned to eliminate duplicates Z: 9 14.075 1.936 0.864 0.882 0.750 0.625 CB 1.331 9 residues pruned to eliminate duplicates Z: 21 36.891 2.203 0.719 0.932 1.000 0.500 CB 1.521 21 residues pruned to eliminate duplicates Z: 22 36.087 2.165 0.813 0.856 0.952 0.571 CB 1.554 22 residues pruned to eliminate duplicates Z: 21 14.671 2.060 0.471 0.351 0.800 0.500 CB 1.591 21 residues pruned to eliminate duplicates Z: 9 10.317 2.289 0.372 0.327 1.000 0.375 CB 1.404 9 residues pruned to eliminate duplicates Z: 9 18.580 2.081 0.572 0.796 1.000 0.625 CA 1.549 9 residues pruned to eliminate duplicates Z: 6 4.457 1.551 0.189 0.701 0.800 0.800 N 1.125 6 residues pruned to eliminate duplicates Z: 20 23.095 1.938 0.674 0.879 0.789 0.474 CB 1.500 20 residues pruned to eliminate duplicates Z: 22 32.003 2.178 0.539 0.876 0.952 0.524 CB 1.590 22 residues pruned to eliminate duplicates Z: 39 29.067 2.094 0.477 0.570 0.921 0.711 CA 1.547 39 residues pruned to eliminate duplicates Z: 73 40.418 2.205 0.497 0.520 0.917 0.556 CB 1.543 50 residues pruned to eliminate duplicates Z: 10 6.644 1.505 0.105 0.804 0.889 0.556 CA 1.149 10 residues pruned to eliminate duplicates Z: 60 42.149 2.103 0.712 0.577 0.915 0.542 CA 1.546 60 residues pruned to eliminate duplicates Z: 62 45.824 2.101 0.810 0.634 0.902 0.508 CB 1.509 34 residues pruned to eliminate duplicates Z: 16 20.935 2.099 0.537 0.899 0.933 0.933 CB 1.284 16 residues pruned to eliminate duplicates Z: 9 4.394 1.815 0.386 0.183 0.750 0.375 CB 1.206 Z: 14 21.839 2.008 0.643 0.773 1.000 0.538 CA 1.442 14 residues pruned to eliminate duplicates Z: 37 31.617 2.082 0.550 0.621 0.889 0.722 CA 1.639 32 residues pruned to eliminate duplicates Z: 43 36.640 2.219 0.454 0.655 0.952 0.738 CB 1.593 43 residues pruned to eliminate duplicates Z: 14 8.718 2.068 0.801 0.299 0.769 0.462 CB 1.056 14 residues pruned to eliminate duplicates Z: 27 21.539 1.966 0.737 0.512 0.846 0.500 CA 1.445 27 residues pruned to eliminate duplicates Z: 13 5.456 1.900 0.220 0.269 0.667 0.417 CB 1.325 13 residues pruned to eliminate duplicates Z: 23 12.126 1.881 0.308 0.396 0.818 0.545 CA 1.434 23 residues pruned to eliminate duplicates Z: 6 6.115 1.605 0.001 0.826 1.000 0.800 CA 1.285 7 residues pruned to eliminate duplicates Z: 10 9.411 1.883 0.599 0.550 0.889 0.556 CB 1.117 Z: 8 6.701 1.712 0.283 0.574 0.857 0.857 CB 1.252 Z: 23 21.012 2.236 0.731 0.345 0.955 0.500 CB 1.435 28 residues pruned to eliminate duplicates Z: 21 35.328 2.275 0.417 0.901 1.000 0.850 CB 1.750 21 residues pruned to eliminate duplicates Z: 11 12.623 1.937 0.386 0.517 1.000 0.800 CA 1.462 11 residues pruned to eliminate duplicates Z: 63 41.371 2.075 0.700 0.577 0.887 0.597 CA 1.559 63 residues pruned to eliminate duplicates Z: 19 7.698 1.954 0.069 0.274 0.944 0.500 CB 1.189 Z: 61 31.212 2.061 0.681 0.449 0.883 0.583 CB 1.387 53 residues pruned to eliminate duplicates Z: 8 10.940 2.046 0.255 0.891 1.000 0.714 CB 1.158 8 residues pruned to eliminate duplicates Z: 23 17.735 1.992 0.499 0.465 0.909 0.636 CB 1.444 23 residues pruned to eliminate duplicates Z: 19 17.176 1.854 0.085 0.895 1.000 0.889 CA 1.442 19 residues pruned to eliminate duplicates Z: 21 14.146 1.965 0.559 0.300 0.900 0.450 CA 1.434 21 residues pruned to eliminate duplicates Z: 21 21.099 1.959 0.256 0.898 0.950 0.850 CB 1.444 21 residues pruned to eliminate duplicates Z: 9 15.715 2.133 0.458 0.884 0.750 0.750 CB 1.721 9 residues pruned to eliminate duplicates Z: 14 7.780 1.595 0.449 0.378 0.846 0.462 O 1.257 Z: 8 8.645 1.625 0.358 0.852 0.857 0.714 CB 1.278 Z: 72 43.050 2.051 0.723 0.578 0.887 0.549 CA 1.512 71 residues pruned to eliminate duplicates Z: 36 30.087 2.039 0.547 0.621 0.914 0.657 CA 1.573 34 residues pruned to eliminate duplicates Z: 6 6.356 1.886 0.183 0.447 0.800 0.600 CB 1.681 7 residues pruned to eliminate duplicates Z: 16 8.398 1.937 0.154 0.473 0.867 0.467 CB 1.151 16 residues pruned to eliminate duplicates Z: 77 46.853 2.108 0.660 0.572 0.961 0.487 CA 1.491 76 residues pruned to eliminate duplicates Z: 20 26.759 1.943 0.546 0.919 1.000 0.895 CA 1.441 20 residues pruned to eliminate duplicates Z: 9 8.059 1.528 0.278 0.827 0.875 0.500 CA 1.257 7 residues pruned to eliminate duplicates Z: 15 8.919 1.723 0.386 0.467 0.929 0.500 CB 1.112 14 residues pruned to eliminate duplicates Z: 73 43.326 2.112 0.718 0.538 0.917 0.458 CA 1.479 73 residues pruned to eliminate duplicates Z: 20 17.597 2.147 0.525 0.502 0.842 0.421 CB 1.461 20 residues pruned to eliminate duplicates Z: 44 23.088 2.103 0.598 0.378 0.814 0.465 CB 1.466 44 residues pruned to eliminate duplicates Z: 24 16.320 1.948 0.460 0.328 0.957 0.652 CB 1.512 23 residues pruned to eliminate duplicates Z: 18 30.226 2.056 0.851 0.933 1.000 0.765 CB 1.345 18 residues pruned to eliminate duplicates Z: 17 10.693 1.739 0.397 0.486 0.875 0.375 CA 1.275 17 residues pruned to eliminate duplicates Z: 14 12.144 1.835 0.175 0.524 1.000 0.692 N 1.525 14 residues pruned to eliminate duplicates Z: 22 16.460 2.026 0.499 0.416 0.905 0.571 CA 1.427 22 residues pruned to eliminate duplicates Z: 26 15.877 1.941 0.464 0.385 0.880 0.600 CB 1.434 Z: 22 20.433 1.822 0.433 0.895 0.952 0.714 CB 1.285 22 residues pruned to eliminate duplicates Z: 11 19.288 1.800 0.906 0.886 1.000 0.500 CA 1.283 11 residues pruned to eliminate duplicates Z: 14 13.580 1.908 0.638 0.472 0.923 0.538 CA 1.343 18 residues pruned to eliminate duplicates Z: 18 10.547 1.918 0.339 0.396 0.882 0.588 CA 1.261 16 residues pruned to eliminate duplicates Z: 54 45.132 2.055 0.753 0.661 0.962 0.491 CA 1.540 51 residues pruned to eliminate duplicates Z: 17 23.549 1.948 0.768 0.867 0.875 0.500 CB 1.430 17 residues pruned to eliminate duplicates Z: 21 38.673 2.309 0.731 0.890 0.950 0.700 CB 1.638 21 residues pruned to eliminate duplicates Z: 6 3.356 1.787 0.109 0.293 0.800 0.400 CA 1.194 8 residues pruned to eliminate duplicates Z: 22 32.850 2.210 0.493 0.893 1.000 0.762 CB 1.560 22 residues pruned to eliminate duplicates Z: 11 11.727 2.015 0.497 0.530 0.900 0.800 CA 1.326 11 residues pruned to eliminate duplicates Z: 7 7.648 1.612 0.096 0.881 1.000 0.667 CA 1.280 6 residues pruned to eliminate duplicates Z: 11 14.282 1.847 0.316 0.879 1.000 0.800 CB 1.347 11 residues pruned to eliminate duplicates Z: 22 27.332 2.009 0.585 0.864 1.000 0.714 CA 1.373 22 residues pruned to eliminate duplicates Z: 17 9.741 1.739 0.465 0.381 0.875 0.438 CB 1.241 17 residues pruned to eliminate duplicates Z: 24 20.094 2.112 0.685 0.526 0.870 0.609 CB 1.320 24 residues pruned to eliminate duplicates Z: 15 9.318 1.910 0.620 0.432 0.786 0.571 CB 1.099 15 residues pruned to eliminate duplicates Z: 7 12.428 2.105 0.566 0.840 1.000 0.833 CB 1.149 7 residues pruned to eliminate duplicates Z: 6 5.993 1.717 0.579 0.704 0.800 0.400 CA 1.026 Z: 6 12.636 2.127 0.626 0.830 0.800 0.800 CB 1.536 6 residues pruned to eliminate duplicates Z: 12 15.675 1.964 0.807 0.898 0.818 0.455 CB 1.164 12 residues pruned to eliminate duplicates Z: 20 22.887 2.038 0.445 0.851 0.947 0.789 CA 1.394 20 residues pruned to eliminate duplicates Z: 31 12.544 1.913 0.298 0.299 0.767 0.500 CB 1.506 31 residues pruned to eliminate duplicates Z: 21 32.748 2.121 0.506 0.894 1.000 0.650 CA 1.644 21 residues pruned to eliminate duplicates Z: 24 15.726 2.117 0.695 0.292 0.783 0.522 CA 1.474 24 residues pruned to eliminate duplicates Z: 10 18.616 1.986 0.893 0.715 1.000 1.000 CB 1.359 11 residues pruned to eliminate duplicates Z: 12 5.810 2.114 -0.009 0.442 0.636 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 17 11.353 1.832 0.430 0.417 0.812 0.500 CB 1.454 6 residues pruned to eliminate duplicates Z: 60 37.611 1.965 0.654 0.594 0.915 0.508 CA 1.505 60 residues pruned to eliminate duplicates Z: 16 25.205 2.064 0.499 0.904 0.933 0.600 CB 1.605 16 residues pruned to eliminate duplicates Z: 13 12.504 1.939 0.572 0.423 0.833 0.583 N 1.539 13 residues pruned to eliminate duplicates Z: 20 28.683 1.962 0.711 0.933 0.947 0.579 CB 1.443 20 residues pruned to eliminate duplicates Z: 20 39.393 2.131 0.789 0.919 1.000 0.526 CA 1.671 20 residues pruned to eliminate duplicates Z: 23 16.557 1.912 0.410 0.382 1.000 0.500 CB 1.485 23 residues pruned to eliminate duplicates Z: 28 15.338 1.991 0.532 0.353 0.926 0.593 CB 1.225 44 residues pruned to eliminate duplicates Z: 63 45.431 2.249 0.650 0.558 0.919 0.565 CB 1.598 63 residues pruned to eliminate duplicates Z: 7 6.278 1.779 0.962 0.358 0.667 0.333 CA 1.283 7 residues pruned to eliminate duplicates Z: 9 12.404 1.843 0.463 0.871 1.000 0.875 CA 1.186 9 residues pruned to eliminate duplicates Z: 12 18.159 2.074 0.690 0.898 0.818 0.727 CA 1.366 12 residues pruned to eliminate duplicates Z: 13 15.725 1.814 0.637 0.902 1.000 0.500 CB 1.090 13 residues pruned to eliminate duplicates Z: 10 9.134 1.873 0.180 0.566 0.889 0.778 CB 1.453 10 residues pruned to eliminate duplicates Z: 14 9.515 1.737 0.581 0.532 0.692 0.462 CB 1.345 14 residues pruned to eliminate duplicates Z: 34 15.966 1.881 0.555 0.348 0.848 0.667 CB 1.320 26 residues pruned to eliminate duplicates Z: 14 9.115 1.842 0.392 0.295 1.000 0.692 CA 1.241 14 residues pruned to eliminate duplicates Z: 7 6.029 1.812 0.312 0.578 0.833 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 22 31.855 2.116 0.578 0.880 0.952 0.714 CA 1.584 22 residues pruned to eliminate duplicates Z: 11 10.522 1.924 0.451 0.575 0.900 0.400 CB 1.232 Z: 10 13.080 1.895 0.686 0.697 1.000 0.889 CB 1.140 10 residues pruned to eliminate duplicates Z: 10 14.455 1.912 0.532 0.639 1.000 0.778 CB 1.444 12 residues pruned to eliminate duplicates Z: 18 15.479 1.981 0.577 0.433 0.941 0.412 CA 1.368 18 residues pruned to eliminate duplicates Z: 15 10.111 1.993 0.288 0.431 0.786 0.500 CB 1.438 15 residues pruned to eliminate duplicates Z: 18 25.331 2.005 0.696 0.901 1.000 0.529 CB 1.289 18 residues pruned to eliminate duplicates Z: 7 4.693 1.757 -0.048 0.408 1.000 0.500 CB 1.261 Z: 37 25.966 1.990 0.881 0.525 0.889 0.611 CA 1.269 7 residues pruned to eliminate duplicates Z: 17 13.212 2.061 0.680 0.315 0.938 0.438 CB 1.248 17 residues pruned to eliminate duplicates Z: 6 5.766 1.812 0.142 0.370 1.000 0.800 CA 1.432 7 residues pruned to eliminate duplicates Z: 11 5.503 1.721 0.412 0.448 0.800 0.400 CB 0.944 11 residues pruned to eliminate duplicates Z: 10 8.339 1.971 0.135 0.846 0.889 0.889 CB 1.039 10 residues pruned to eliminate duplicates Z: 8 6.140 1.880 0.204 0.608 0.857 0.714 CB 1.079 8 residues pruned to eliminate duplicates Z: 7 6.023 1.767 0.203 0.554 1.000 0.667 CB 1.098 Z: 47 18.201 1.935 0.457 0.375 0.804 0.478 CB 1.354 47 residues pruned to eliminate duplicates Z: 21 9.571 2.121 0.218 0.285 0.750 0.500 CB 1.407 21 residues pruned to eliminate duplicates Z: 25 36.557 2.055 0.787 0.827 0.958 0.500 CA 1.597 25 residues pruned to eliminate duplicates Z: 18 34.712 2.140 0.776 0.926 1.000 0.412 CA 1.554 18 residues pruned to eliminate duplicates Z: 19 30.005 2.052 0.572 0.916 0.944 0.667 CB 1.639 19 residues pruned to eliminate duplicates Z: 6 5.652 1.797 0.165 0.833 0.600 0.600 CA 1.510 6 residues pruned to eliminate duplicates Z: 34 27.017 2.014 0.535 0.610 0.909 0.758 CB 1.507 34 residues pruned to eliminate duplicates Z: 20 21.350 2.000 0.316 0.881 0.947 0.737 CB 1.423 20 residues pruned to eliminate duplicates Z: 6 3.361 1.473 0.623 0.376 0.600 0.400 CB 1.196 6 residues pruned to eliminate duplicates Z: 25 28.421 2.069 0.584 0.628 1.000 0.708 CB 1.570 25 residues pruned to eliminate duplicates Z: 31 16.923 1.976 0.385 0.442 0.867 0.567 CB 1.382 31 residues pruned to eliminate duplicates Z: 20 35.236 2.167 0.694 0.902 0.947 0.789 CA 1.658 20 residues pruned to eliminate duplicates Z: 8 2.923 1.726 -0.203 0.361 1.000 0.429 CB 0.932 Z: 22 38.471 2.195 0.832 0.883 0.952 0.524 CB 1.584 22 residues pruned to eliminate duplicates Z: 22 17.746 1.953 0.418 0.394 1.000 0.667 CB 1.564 22 residues pruned to eliminate duplicates Z: 6 2.850 1.642 0.176 0.477 0.600 0.600 CB 1.125 Z: 78 40.282 2.079 0.603 0.554 0.896 0.455 CA 1.458 78 residues pruned to eliminate duplicates Z: 9 3.681 1.296 0.508 0.268 0.875 0.375 C 0.992 Z: 18 19.791 1.870 0.508 0.846 0.882 0.412 CA 1.433 18 residues pruned to eliminate duplicates Z: 21 13.912 1.977 0.409 0.377 0.800 0.450 CB 1.592 21 residues pruned to eliminate duplicates Z: 28 27.405 2.012 0.574 0.676 0.963 0.704 CB 1.470 28 residues pruned to eliminate duplicates Z: 20 36.963 2.309 0.619 0.931 0.947 0.474 CB 1.673 20 residues pruned to eliminate duplicates Z: 8 3.162 1.453 -0.237 0.626 0.857 0.571 CB 1.117 Z: 24 15.259 1.913 0.426 0.312 0.957 0.522 CA 1.501 24 residues pruned to eliminate duplicates Z: 11 3.759 1.825 0.371 0.244 0.800 0.500 CB 0.799 Z: 9 11.411 1.901 0.620 0.781 1.000 0.875 CB 1.023 9 residues pruned to eliminate duplicates Z: 16 9.523 1.668 0.394 0.484 0.867 0.600 CA 1.240 16 residues pruned to eliminate duplicates Z: 19 9.825 1.844 0.311 0.333 0.889 0.611 CB 1.293 19 residues pruned to eliminate duplicates Z: 12 15.532 1.928 0.842 0.614 0.909 0.909 CA 1.303 13 residues pruned to eliminate duplicates Z: 11 7.735 1.606 0.718 0.500 0.800 0.600 CB 1.109 11 residues pruned to eliminate duplicates Z: 33 23.426 2.132 0.781 0.376 0.906 0.625 CB 1.373 32 residues pruned to eliminate duplicates Z: 19 8.238 1.827 0.373 0.366 0.833 0.500 CB 1.073 19 residues pruned to eliminate duplicates Z: 7 8.912 1.927 0.508 0.633 1.000 0.500 CB 1.106 Z: 66 38.435 2.031 0.761 0.584 0.862 0.477 CB 1.428 66 residues pruned to eliminate duplicates Z: 17 12.861 2.081 0.579 0.370 0.812 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 11 8.985 1.948 0.227 0.421 1.000 0.400 CB 1.291 11 residues pruned to eliminate duplicates Z: 17 12.368 2.007 0.623 0.438 0.750 0.438 CB 1.350 17 residues pruned to eliminate duplicates Z: 7 5.657 1.826 0.012 0.602 0.833 0.833 CA 1.361 7 residues pruned to eliminate duplicates Z: 14 22.145 1.945 0.676 0.850 0.923 0.769 CB 1.512 14 residues pruned to eliminate duplicates Z: 6 2.434 1.662 -0.463 0.732 1.000 0.800 CB 0.990 6 residues pruned to eliminate duplicates Z: 21 28.826 1.940 0.768 0.871 0.950 0.700 CB 1.443 21 residues pruned to eliminate duplicates Z: 20 35.130 2.127 0.771 0.880 0.947 0.421 CA 1.637 20 residues pruned to eliminate duplicates Z: 8 6.524 1.869 0.504 0.380 0.714 0.714 CA 1.395 3 residues pruned to eliminate duplicates Z: 21 26.401 1.986 0.709 0.865 0.900 0.500 CB 1.415 21 residues pruned to eliminate duplicates Z: 14 14.845 2.110 0.263 0.861 1.000 0.923 CB 1.136 14 residues pruned to eliminate duplicates Z: 11 8.888 1.682 0.556 0.437 1.000 0.300 CB 1.147 9 residues pruned to eliminate duplicates Z: 12 4.039 1.412 0.146 0.277 1.000 0.545 CB 0.969 Z: 41 38.025 2.102 0.767 0.681 0.975 0.650 CA 1.406 41 residues pruned to eliminate duplicates Z: 8 8.855 1.665 0.288 0.822 1.000 0.714 CA 1.180 Z: 7 10.633 2.059 0.614 0.447 0.833 0.500 CA 1.655 7 residues pruned to eliminate duplicates Z: 10 5.854 1.646 0.426 0.558 1.000 0.444 CB 0.786 Z: 9 18.154 1.893 1.116 0.570 1.000 0.625 CA 1.498 Z: 7 7.217 1.600 0.318 0.582 1.000 0.667 N 1.291 Z: 47 23.973 1.999 0.474 0.525 0.848 0.391 CA 1.380 47 residues pruned to eliminate duplicates Z: 13 12.378 1.799 0.444 0.409 1.000 0.833 CB 1.513 13 residues pruned to eliminate duplicates Z: 7 11.674 1.658 0.906 0.850 0.833 0.833 O 1.341 6 residues pruned to eliminate duplicates Z: 60 40.789 2.086 0.726 0.581 0.915 0.610 CA 1.491 60 residues pruned to eliminate duplicates Z: 6 5.143 1.818 0.077 0.520 0.800 0.400 CA 1.438 Z: 25 14.622 2.164 0.609 0.358 0.792 0.333 CB 1.262 25 residues pruned to eliminate duplicates Z: 9 13.781 1.734 0.432 0.860 1.000 0.500 CB 1.443 9 residues pruned to eliminate duplicates Z: 21 9.724 1.902 0.301 0.410 0.750 0.300 CA 1.287 21 residues pruned to eliminate duplicates Z: 29 13.876 1.892 0.457 0.368 0.893 0.357 CA 1.227 24 residues pruned to eliminate duplicates Z: 14 21.489 2.158 0.560 0.900 1.000 0.538 CB 1.265 14 residues pruned to eliminate duplicates Z: 8 8.207 1.724 0.338 0.625 0.857 0.429 CA 1.393 7 residues pruned to eliminate duplicates Z: 15 10.694 1.660 0.652 0.431 0.857 0.429 CB 1.306 15 residues pruned to eliminate duplicates Z: 24 10.739 1.913 0.384 0.315 0.826 0.522 CB 1.255 24 residues pruned to eliminate duplicates Z: 6 4.411 1.807 0.044 0.546 0.800 0.400 CA 1.250 6 residues pruned to eliminate duplicates Z: 14 4.381 1.438 0.523 0.247 0.692 0.308 CA 1.072 4 residues pruned to eliminate duplicates Z: 17 8.283 1.643 0.258 0.350 0.938 0.562 CA 1.257 17 residues pruned to eliminate duplicates Z: 28 18.503 1.916 0.364 0.610 0.963 0.815 CB 1.275 28 residues pruned to eliminate duplicates Z: 10 13.958 1.901 0.711 0.898 1.000 0.778 CA 1.023 Z: 21 20.545 2.036 0.705 0.549 0.900 0.500 CA 1.401 21 residues pruned to eliminate duplicates Z: 9 4.786 1.532 -0.054 0.515 1.000 0.375 C 1.150 6 1.865 1.533 -0.181 0.386 0.800 0.400 CB 0.936 ? Z: 9 3.731 1.632 0.319 0.223 0.750 0.375 CB 1.130 8 residues pruned to eliminate duplicates Z: 15 8.719 1.900 0.498 0.230 0.929 0.357 CB 1.209 15 residues pruned to eliminate duplicates Z: 24 14.825 1.921 0.570 0.476 0.826 0.609 CA 1.271 24 residues pruned to eliminate duplicates Z: 24 19.426 2.001 0.581 0.548 0.957 0.696 CA 1.277 26 residues pruned to eliminate duplicates Z: 6 5.118 1.975 0.367 0.427 0.800 0.400 CB 1.143 6 residues pruned to eliminate duplicates Z: 8 7.759 1.631 0.462 0.803 0.714 0.429 CA 1.321 8 residues pruned to eliminate duplicates Z: 23 18.965 2.114 0.536 0.465 0.909 0.591 CB 1.419 24 residues pruned to eliminate duplicates Z: 21 36.051 2.080 0.711 0.874 1.000 0.500 CA 1.647 21 residues pruned to eliminate duplicates Z: 23 21.038 1.915 0.600 0.673 0.909 0.727 CB 1.373 37 residues pruned to eliminate duplicates Z: 21 26.594 1.971 0.585 0.919 0.950 0.550 CB 1.412 21 residues pruned to eliminate duplicates Z: 7 3.099 1.368 0.180 0.618 1.000 0.667 CB 0.701 Z: 13 17.473 1.973 0.846 0.857 0.750 0.417 CA 1.361 13 residues pruned to eliminate duplicates Z: 7 11.048 1.969 0.659 0.575 1.000 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 20 31.341 2.102 0.840 0.867 0.895 0.737 CA 1.520 20 residues pruned to eliminate duplicates Z: 29 17.007 1.998 0.612 0.484 0.857 0.643 CB 1.183 29 residues pruned to eliminate duplicates Z: 22 40.477 2.160 0.886 0.890 1.000 0.476 CB 1.559 22 residues pruned to eliminate duplicates Z: 12 9.530 1.776 0.348 0.434 1.000 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 10 15.253 2.011 0.339 0.869 1.000 0.667 CA 1.379 10 residues pruned to eliminate duplicates Z: 11 8.643 1.981 0.306 0.455 0.800 0.500 CB 1.383 11 residues pruned to eliminate duplicates Z: 16 11.987 1.900 0.336 0.512 0.800 0.467 CB 1.505 15 residues pruned to eliminate duplicates Z: 6 3.936 1.600 0.217 0.459 1.000 0.800 CB 0.942 6 residues pruned to eliminate duplicates Z: 7 4.362 1.395 0.254 0.655 1.000 0.667 CA 0.882 7 residues pruned to eliminate duplicates Z: 7 7.226 1.852 0.501 0.644 1.000 0.667 CB 0.928 7 residues pruned to eliminate duplicates Z: 24 23.039 2.059 0.738 0.440 0.913 0.522 CA 1.564 24 residues pruned to eliminate duplicates Z: 14 14.662 1.654 0.901 0.839 0.846 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 9 5.518 1.725 0.625 0.400 0.750 0.750 CB 1.031 9 residues pruned to eliminate duplicates Z: 11 6.792 2.054 0.381 0.427 0.600 0.400 CA 1.362 Z: 20 13.768 1.715 0.680 0.395 0.947 0.474 CA 1.293 20 residues pruned to eliminate duplicates Z: 58 39.504 2.091 0.702 0.561 0.930 0.579 CA 1.490 58 residues pruned to eliminate duplicates Z: 10 11.307 1.826 0.443 0.668 1.000 0.333 CA 1.225 10 residues pruned to eliminate duplicates Z: 8 4.838 1.571 0.451 0.570 0.714 0.714 CB 1.050 Z: 17 10.349 1.864 0.325 0.341 0.875 0.562 CA 1.424 17 residues pruned to eliminate duplicates Z: 19 9.591 1.760 0.505 0.427 0.722 0.278 CA 1.274 11 residues pruned to eliminate duplicates Z: 22 18.131 2.039 0.454 0.538 0.952 0.667 CA 1.350 22 residues pruned to eliminate duplicates Z: 6 2.407 1.518 -0.068 0.499 1.000 0.600 CB 0.761 6 residues pruned to eliminate duplicates Z: 10 7.817 1.727 0.471 0.518 0.778 0.667 CB 1.296 Z: 24 13.002 1.843 0.451 0.338 0.870 0.478 CB 1.392 24 residues pruned to eliminate duplicates Z: 17 12.346 1.879 0.570 0.434 0.812 0.438 CA 1.379 Z: 19 11.977 1.968 0.289 0.439 0.889 0.556 CB 1.333 19 residues pruned to eliminate duplicates Z: 19 10.552 1.954 0.419 0.348 0.833 0.500 CA 1.269 19 residues pruned to eliminate duplicates Z: 7 5.617 1.845 0.294 0.477 1.000 0.667 CB 0.983 7 residues pruned to eliminate duplicates Z: 6 3.903 1.660 0.044 0.682 1.000 0.800 N 0.852 6 residues pruned to eliminate duplicates Z: 19 15.929 1.971 0.773 0.509 0.889 0.556 CB 1.197 19 residues pruned to eliminate duplicates Z: 51 41.930 2.185 0.641 0.623 0.940 0.560 CB 1.567 49 residues pruned to eliminate duplicates Z: 7 5.622 1.681 0.192 0.832 0.667 0.333 C 1.290 7 residues pruned to eliminate duplicates Z: 10 4.172 1.684 0.541 0.381 0.667 0.444 CB 0.912 10 residues pruned to eliminate duplicates Z: 41 25.869 1.990 0.513 0.553 0.900 0.575 CB 1.434 41 residues pruned to eliminate duplicates Z: 17 5.694 1.792 0.070 0.371 0.750 0.500 CB 1.137 17 residues pruned to eliminate duplicates Z: 9 12.619 1.973 0.625 0.599 0.875 0.625 CA 1.447 9 residues pruned to eliminate duplicates Z: 18 19.984 2.130 0.596 0.599 1.000 0.706 CB 1.297 18 residues pruned to eliminate duplicates Z: 10 18.071 1.999 0.410 0.900 1.000 0.889 CB 1.526 10 residues pruned to eliminate duplicates Z: 9 10.714 1.646 0.365 0.902 1.000 0.625 CA 1.203 9 residues pruned to eliminate duplicates Z: 8 5.999 1.679 0.164 0.727 1.000 0.857 CB 0.946 7 residues pruned to eliminate duplicates Z: 11 7.119 1.872 0.625 0.466 0.700 0.600 CB 1.094 12 residues pruned to eliminate duplicates Z: 8 5.583 1.466 0.485 0.568 0.857 0.429 CB 1.059 Z: 53 37.747 1.985 0.663 0.672 0.904 0.500 CB 1.497 53 residues pruned to eliminate duplicates Z: 6 6.537 1.697 -0.044 0.876 1.000 0.600 CA 1.310 6 residues pruned to eliminate duplicates Z: 6 2.625 1.857 0.085 0.197 0.600 0.400 CB 1.392 Z: 16 19.841 1.930 0.716 0.864 0.867 0.400 CA 1.309 16 residues pruned to eliminate duplicates Z: 16 28.240 2.195 0.652 0.857 0.867 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 13 6.723 1.735 0.121 0.358 0.917 0.583 CA 1.269 13 residues pruned to eliminate duplicates Z: 22 14.002 1.968 0.386 0.363 0.952 0.524 CB 1.362 22 residues pruned to eliminate duplicates Z: 15 11.301 2.035 0.276 0.475 0.857 0.714 CA 1.391 15 residues pruned to eliminate duplicates Z: 7 2.229 1.570 -0.032 0.420 0.833 0.667 CB 0.781 Z: 33 19.870 2.115 0.500 0.417 0.875 0.375 CB 1.381 33 residues pruned to eliminate duplicates Z: 10 4.935 1.661 0.340 0.598 0.778 0.778 CB 0.866 10 residues pruned to eliminate duplicates Z: 6 2.249 1.635 0.214 0.240 1.000 0.800 CB 0.685 Z: 15 14.076 1.846 0.621 0.346 1.000 0.500 CA 1.486 15 residues pruned to eliminate duplicates Z: 18 9.436 1.737 0.408 0.347 0.882 0.471 CA 1.251 18 residues pruned to eliminate duplicates Z: 14 21.793 2.194 0.485 0.837 0.923 0.846 CA 1.503 14 residues pruned to eliminate duplicates Z: 47 40.154 2.145 0.516 0.650 0.978 0.500 CB 1.619 43 residues pruned to eliminate duplicates Z: 22 16.091 1.919 0.344 0.598 0.857 0.762 CB 1.447 39 residues pruned to eliminate duplicates Z: 19 13.252 1.876 0.575 0.422 0.778 0.722 CB 1.474 19 residues pruned to eliminate duplicates Z: 38 26.819 2.061 0.247 0.672 0.946 0.865 CA 1.547 38 residues pruned to eliminate duplicates Z: 12 10.318 1.874 0.965 0.512 0.909 0.364 CB 0.918 7 residues pruned to eliminate duplicates Z: 24 15.538 1.904 0.611 0.392 0.870 0.391 CA 1.362 24 residues pruned to eliminate duplicates Z: 8 2.232 1.307 0.351 0.260 0.714 0.429 CA 0.880 6 1.967 1.822 -0.102 0.270 0.600 0.400 CA 1.164 ? Z: 9 6.042 1.906 0.426 0.304 0.750 0.375 CA 1.303 9 residues pruned to eliminate duplicates Z: 65 39.216 2.090 0.585 0.580 0.953 0.609 CA 1.437 65 residues pruned to eliminate duplicates Z: 8 9.808 1.932 0.580 0.614 0.857 0.714 CB 1.272 8 residues pruned to eliminate duplicates Z: 14 25.671 2.158 0.773 0.921 1.000 1.000 CB 1.310 14 residues pruned to eliminate duplicates Z: 38 28.328 2.083 0.535 0.657 0.919 0.730 CA 1.370 38 residues pruned to eliminate duplicates Z: 7 2.686 1.634 0.234 0.320 0.667 0.333 CB 0.995 7 residues pruned to eliminate duplicates Z: 8 13.776 1.873 0.764 0.863 1.000 0.571 CA 1.156 8 residues pruned to eliminate duplicates Z: 10 4.858 1.605 0.220 0.513 0.778 0.778 CB 1.050 7 residues pruned to eliminate duplicates Z: 9 11.300 1.901 0.556 0.570 0.875 0.750 CB 1.443 9 residues pruned to eliminate duplicates Z: 10 8.588 1.758 0.704 0.468 1.000 0.556 CB 0.987 12 residues pruned to eliminate duplicates Z: 8 3.594 1.455 0.619 0.352 0.857 0.571 CB 0.790 Z: 10 19.719 1.926 0.839 0.904 1.000 0.889 CA 1.322 10 residues pruned to eliminate duplicates Z: 29 17.855 1.996 0.564 0.456 0.857 0.607 CB 1.319 29 residues pruned to eliminate duplicates Z: 7 4.065 2.005 0.644 0.120 0.500 0.333 CB 1.625 7 residues pruned to eliminate duplicates Z: 58 43.064 2.077 0.699 0.629 0.947 0.491 CB 1.511 58 residues pruned to eliminate duplicates 6 1.527 1.279 0.246 0.468 0.600 0.600 CB 0.738 ? Z: 8 6.431 1.864 0.273 0.564 1.000 0.571 CA 0.963 8 residues pruned to eliminate duplicates 8 1.579 1.567 0.310 0.290 0.571 0.429 CB 0.644 ? Z: 29 17.041 1.932 0.524 0.460 0.857 0.643 CB 1.330 29 residues pruned to eliminate duplicates Z: 9 13.589 1.899 0.539 0.733 1.000 0.500 CA 1.333 9 residues pruned to eliminate duplicates 6 1.613 1.317 0.335 0.295 0.800 0.400 N 0.645 ? Z: 9 8.776 1.805 0.423 0.646 0.875 0.750 CB 1.205 8 residues pruned to eliminate duplicates Z: 23 14.201 1.973 0.412 0.419 0.864 0.455 CA 1.370 24 residues pruned to eliminate duplicates Z: 6 3.370 1.508 0.101 0.554 1.000 0.400 CB 0.861 Z: 16 8.921 1.794 0.431 0.370 0.800 0.400 CB 1.289 16 residues pruned to eliminate duplicates Z: 7 4.046 1.557 0.230 0.479 0.833 0.833 CB 1.057 Z: 18 16.830 1.935 0.464 0.891 0.882 0.471 CB 1.174 18 residues pruned to eliminate duplicates Z: 11 7.940 1.765 0.654 0.416 0.800 0.500 CA 1.174 11 residues pruned to eliminate duplicates Z: 10 4.771 1.789 0.054 0.357 0.667 0.444 CA 1.476 9 residues pruned to eliminate duplicates Z: 31 25.363 2.087 0.693 0.645 0.933 0.667 CA 1.227 31 residues pruned to eliminate duplicates Z: 30 14.438 1.840 0.687 0.349 0.897 0.483 CB 1.135 19 residues pruned to eliminate duplicates Z: 64 37.196 2.222 0.470 0.563 0.921 0.667 CB 1.467 64 residues pruned to eliminate duplicates Z: 6 3.334 1.507 0.008 0.531 1.000 0.400 C 0.952 Z: 13 10.507 2.035 0.354 0.378 0.833 0.500 CA 1.505 13 residues pruned to eliminate duplicates 6 -0.068 1.622 -0.041 0.287 0.800 0.400 CB-0.031 ? Z: 7 6.279 1.611 0.009 0.868 1.000 1.000 N 1.153 7 residues pruned to eliminate duplicates Z: 24 15.060 1.852 0.434 0.376 0.913 0.609 CA 1.479 24 residues pruned to eliminate duplicates Z: 17 12.669 1.834 0.378 0.542 0.938 0.562 CB 1.284 28 residues pruned to eliminate duplicates Z: 60 41.632 2.104 0.631 0.629 0.932 0.627 CA 1.500 60 residues pruned to eliminate duplicates Z: 13 21.995 1.980 0.818 0.894 1.000 0.750 CA 1.266 13 residues pruned to eliminate duplicates Z: 11 10.458 1.669 0.762 0.556 0.900 0.900 CB 1.184 11 residues pruned to eliminate duplicates Z: 13 3.595 1.517 0.403 0.266 0.667 0.333 CB 0.955 Z: 27 15.277 1.948 0.334 0.437 0.923 0.500 CA 1.333 27 residues pruned to eliminate duplicates Z: 10 10.644 1.807 0.554 0.812 0.778 0.333 CB 1.239 10 residues pruned to eliminate duplicates Z: 7 4.076 1.720 0.499 0.285 0.667 0.500 CB 1.234 6 residues pruned to eliminate duplicates Z: 18 13.201 1.904 0.784 0.417 0.824 0.471 CB 1.248 18 residues pruned to eliminate duplicates Z: 6 3.325 1.623 0.222 0.734 0.800 0.600 CB 0.760 Z: 7 6.133 1.621 0.569 0.540 0.833 0.500 CA 1.136 Z: 13 4.720 1.612 0.503 0.312 0.750 0.583 CB 0.923 13 residues pruned to eliminate duplicates Z: 38 17.441 1.997 0.545 0.341 0.811 0.541 CB 1.362 38 residues pruned to eliminate duplicates Z: 12 6.886 1.950 0.089 0.278 0.909 0.364 CB 1.381 12 residues pruned to eliminate duplicates Z: 10 12.163 1.993 0.478 0.786 1.000 0.889 CB 1.071 10 residues pruned to eliminate duplicates Z: 11 6.502 1.693 0.330 0.450 0.800 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 9 11.756 2.086 0.018 0.850 1.000 1.000 CA 1.449 9 residues pruned to eliminate duplicates Z: 6 14.212 2.172 0.641 0.658 1.000 0.800 CA 1.541 6 residues pruned to eliminate duplicates 6 1.670 1.369 0.573 0.415 0.400 0.400 N 0.947 ? Z: 9 6.043 2.070 0.260 0.409 0.750 0.750 CA 1.202 9 residues pruned to eliminate duplicates Z: 10 5.483 1.638 0.246 0.409 0.778 0.556 CA 1.267 10 residues pruned to eliminate duplicates Z: 12 10.053 1.831 0.481 0.423 0.909 0.636 CA 1.331 12 residues pruned to eliminate duplicates Z: 39 25.518 2.029 0.676 0.482 0.868 0.368 CA 1.427 39 residues pruned to eliminate duplicates Z: 11 5.847 2.218 -0.020 0.239 0.800 0.400 CB 1.439 11 residues pruned to eliminate duplicates Z: 71 32.955 2.144 0.430 0.511 0.886 0.614 CB 1.434 71 residues pruned to eliminate duplicates Z: 11 3.317 1.525 0.182 0.362 0.800 0.500 CB 0.844 Z: 8 2.700 1.612 0.491 0.251 0.714 0.571 CB 0.791 8 residues pruned to eliminate duplicates Z: 13 11.120 1.986 0.548 0.275 0.917 0.417 CB 1.471 16 residues pruned to eliminate duplicates Z: 7 13.860 1.824 0.593 0.814 1.000 1.000 CA 1.482 7 residues pruned to eliminate duplicates Z: 30 12.949 1.838 0.556 0.368 0.828 0.621 CB 1.170 30 residues pruned to eliminate duplicates Z: 6 4.845 1.869 0.405 0.559 1.000 0.400 CB 0.779 6 residues pruned to eliminate duplicates Z: 79 39.672 2.062 0.548 0.510 0.910 0.577 CA 1.531 79 residues pruned to eliminate duplicates Z: 17 9.547 1.843 0.483 0.331 0.812 0.500 CB 1.294 18 residues pruned to eliminate duplicates Z: 13 5.249 1.421 0.371 0.419 0.750 0.500 CB 1.128 Z: 11 10.713 1.921 0.297 0.603 0.900 0.700 CA 1.369 11 residues pruned to eliminate duplicates Z: 6 3.084 1.265 0.523 0.741 1.000 0.800 CB 0.577 Z: 7 2.382 1.894 -0.175 0.143 0.667 0.500 CA 1.452 7 residues pruned to eliminate duplicates Z: 14 6.525 1.559 0.327 0.367 0.923 0.462 CB 1.094 Z: 8 4.687 1.548 0.981 0.327 0.857 0.571 CA 0.816 8 residues pruned to eliminate duplicates Z: 22 20.453 2.070 0.568 0.555 0.905 0.571 CA 1.440 24 residues pruned to eliminate duplicates Z: 11 13.160 1.879 0.499 0.876 0.900 0.400 CA 1.193 11 residues pruned to eliminate duplicates Z: 9 8.758 1.620 0.302 0.670 1.000 0.500 CB 1.254 9 residues pruned to eliminate duplicates 6 1.792 1.291 0.168 0.427 0.800 0.600 CA 0.716 ? Z: 12 5.924 1.567 0.486 0.460 0.818 0.455 CA 0.977 12 residues pruned to eliminate duplicates Z: 12 5.264 1.612 0.473 0.501 0.727 0.545 CB 0.918 12 residues pruned to eliminate duplicates Z: 8 13.221 2.007 0.650 0.880 1.000 0.571 CB 1.094 10 residues pruned to eliminate duplicates Z: 20 28.363 2.003 0.750 0.896 0.947 0.263 CA 1.404 20 residues pruned to eliminate duplicates Z: 19 32.073 2.227 0.639 0.886 0.889 0.611 CB 1.682 19 residues pruned to eliminate duplicates Z: 8 7.373 1.580 0.841 0.494 1.000 0.714 CA 0.964 9 residues pruned to eliminate duplicates Z: 74 46.641 2.111 0.664 0.613 0.959 0.671 CA 1.457 74 residues pruned to eliminate duplicates Z: 6 3.851 1.533 0.185 0.406 1.000 0.800 CB 1.046 Z: 6 6.532 1.666 0.415 0.632 1.000 1.000 CB 1.095 6 residues pruned to eliminate duplicates Z: 15 8.783 1.720 0.586 0.399 0.786 0.643 N 1.218 14 residues pruned to eliminate duplicates Z: 34 14.640 2.026 0.341 0.327 0.788 0.455 CB 1.439 34 residues pruned to eliminate duplicates Z: 9 8.685 1.663 0.433 0.578 0.875 0.750 CB 1.365 9 residues pruned to eliminate duplicates Z: 19 30.982 2.187 0.823 0.809 0.833 0.611 CB 1.679 19 residues pruned to eliminate duplicates Z: 13 8.959 1.746 0.533 0.504 0.917 0.250 CB 1.051 11 residues pruned to eliminate duplicates Z: 48 38.808 2.163 0.782 0.585 0.936 0.596 CB 1.446 40 residues pruned to eliminate duplicates Z: 8 2.702 1.469 0.235 0.317 0.714 0.571 CB 0.964 Z: 6 5.331 1.759 -0.233 0.709 1.000 0.600 N 1.462 Z: 7 4.159 1.202 0.229 0.734 1.000 0.833 N 0.932 Z: 8 2.604 1.318 0.498 0.403 0.571 0.286 CB 0.966 5 residues pruned to eliminate duplicates Z: 9 5.877 1.646 0.126 0.522 0.875 0.375 CB 1.253 9 residues pruned to eliminate duplicates Z: 19 9.820 1.555 0.450 0.487 1.000 0.500 CB 1.040 19 residues pruned to eliminate duplicates Z: 13 14.285 1.848 0.800 0.477 0.833 0.583 CB 1.523 13 residues pruned to eliminate duplicates Z: 7 7.476 1.599 0.467 0.855 0.833 0.667 N 1.152 7 residues pruned to eliminate duplicates Z: 10 9.726 1.653 0.817 0.600 1.000 0.667 CA 0.981 10 residues pruned to eliminate duplicates Z: 14 9.687 1.722 0.587 0.415 0.923 0.615 CB 1.164 14 residues pruned to eliminate duplicates Z: 6 7.040 1.564 0.377 0.770 1.000 1.000 C 1.151 Z: 7 2.086 1.426 0.261 0.166 0.833 0.667 CB 0.854 Z: 6 6.077 1.646 0.385 0.852 0.800 0.200 CB 1.102 6 residues pruned to eliminate duplicates Z: 7 4.110 1.436 0.162 0.715 0.833 0.500 CA 0.993 7 residues pruned to eliminate duplicates Z: 31 24.489 1.982 0.397 0.670 0.933 0.833 CA 1.478 31 residues pruned to eliminate duplicates Z: 10 3.206 1.293 0.414 0.601 0.556 0.333 CB 0.956 Z: 11 13.724 2.008 0.945 0.355 1.000 0.700 CA 1.300 11 residues pruned to eliminate duplicates Z: 11 10.435 1.937 0.114 0.871 1.000 0.800 CB 1.115 11 residues pruned to eliminate duplicates Z: 6 3.894 1.597 1.028 0.293 0.600 0.600 CB 1.129 Z: 8 10.584 1.683 0.539 0.607 1.000 0.714 CB 1.395 8 residues pruned to eliminate duplicates Z: 6 6.467 1.912 0.297 0.463 0.800 0.600 CA 1.514 6 residues pruned to eliminate duplicates Z: 11 4.396 1.605 0.649 0.435 0.800 0.400 CB 0.702 11 residues pruned to eliminate duplicates Z: 14 12.665 1.896 0.466 0.506 0.846 0.538 N 1.485 14 residues pruned to eliminate duplicates Z: 7 6.280 1.406 0.563 0.565 1.000 0.500 CA 1.096 7 residues pruned to eliminate duplicates Z: 25 26.266 1.990 0.599 0.710 0.917 0.750 CA 1.519 25 residues pruned to eliminate duplicates Z: 9 2.224 1.265 0.145 0.296 0.750 0.625 C 0.909 Z: 10 10.697 1.733 0.345 0.794 1.000 0.889 CB 1.181 10 residues pruned to eliminate duplicates Z: 34 16.883 2.023 0.620 0.371 0.788 0.455 CB 1.306 18 residues pruned to eliminate duplicates Z: 11 8.842 1.617 0.351 0.578 1.000 0.700 CB 1.188 11 residues pruned to eliminate duplicates Z: 12 14.228 2.100 0.575 0.438 0.909 0.545 CB 1.520 12 residues pruned to eliminate duplicates Z: 6 7.632 1.728 0.464 0.840 0.800 0.800 N 1.259 6 residues pruned to eliminate duplicates Z: 18 17.828 2.018 0.795 0.438 0.941 0.529 CB 1.352 18 residues pruned to eliminate duplicates Z: 23 11.755 1.838 0.781 0.322 0.864 0.545 CB 1.079 23 residues pruned to eliminate duplicates Z: 13 4.378 1.645 0.009 0.522 0.833 0.667 CB 0.894 12 residues pruned to eliminate duplicates Z: 17 7.953 1.822 0.340 0.419 0.688 0.375 CB 1.289 15 residues pruned to eliminate duplicates Z: 18 23.221 2.049 0.450 0.902 0.882 0.882 CB 1.533 18 residues pruned to eliminate duplicates Z: 9 5.331 1.859 0.567 0.378 0.750 0.375 CA 0.983 9 residues pruned to eliminate duplicates Z: 21 19.543 1.983 0.320 0.866 0.900 0.600 CB 1.358 21 residues pruned to eliminate duplicates 7 1.609 1.441 -0.082 0.327 0.833 0.500 CA 0.720 ? Z: 19 7.819 1.818 0.265 0.411 0.889 0.444 CA 0.990 19 residues pruned to eliminate duplicates Z: 10 11.362 1.860 0.428 0.563 1.000 0.889 CA 1.341 Z: 7 3.503 1.262 0.292 0.397 1.000 0.833 CB 0.979 8 1.588 1.297 -0.018 0.326 0.857 0.714 CB 0.665 ? 6 1.722 1.239 0.384 0.300 0.800 0.600 CA 0.702 ? Z: 7 2.129 1.338 0.237 0.305 0.833 0.667 N 0.783 Z: 6 3.335 1.546 0.135 0.455 0.800 0.400 O 1.112 Z: 11 14.047 2.244 0.408 0.484 0.900 0.600 CB 1.587 11 residues pruned to eliminate duplicates 6 1.490 1.434 -0.013 0.298 0.800 0.400 CB 0.738 ? Z: 15 17.489 1.940 0.499 0.564 1.000 0.643 CB 1.510 15 residues pruned to eliminate duplicates Z: 17 14.099 1.723 0.699 0.547 1.000 0.625 CB 1.150 28 residues pruned to eliminate duplicates Z: 8 10.260 1.893 1.031 0.346 1.000 0.714 CA 1.192 8 residues pruned to eliminate duplicates Z: 9 2.718 1.392 0.285 0.349 0.875 0.625 CB 0.723 9 residues pruned to eliminate duplicates Z: 9 4.541 1.510 0.091 0.339 1.000 0.250 CB 1.161 Z: 6 5.621 1.558 0.196 0.600 1.000 0.800 CA 1.226 6 1.480 1.544 1.237 0.844 1.000 0.800 CB 0.143 ? Z: 13 9.895 1.579 0.660 0.622 0.833 0.667 CB 1.166 13 residues pruned to eliminate duplicates Z: 9 3.939 1.774 0.470 0.506 0.750 0.750 CB 0.708 9 residues pruned to eliminate duplicates Z: 8 8.835 1.832 0.483 0.620 0.857 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 6 2.335 1.312 0.060 0.296 1.000 0.800 CB 0.943 Z: 27 14.132 1.946 0.417 0.333 0.885 0.577 CA 1.363 25 residues pruned to eliminate duplicates Z: 9 5.320 1.654 0.417 0.487 0.875 0.750 CB 0.929 9 residues pruned to eliminate duplicates Z: 6 5.770 1.443 0.575 0.638 0.800 0.600 N 1.247 Z: 28 28.234 2.027 0.526 0.719 1.000 0.741 CA 1.440 28 residues pruned to eliminate duplicates Z: 23 16.755 1.913 0.648 0.477 0.955 0.545 CB 1.216 23 residues pruned to eliminate duplicates Z: 16 9.848 1.997 0.688 0.384 0.867 0.667 CB 0.985 16 residues pruned to eliminate duplicates Z: 7 3.379 1.564 0.200 0.488 0.833 0.500 CB 0.893 Z: 20 40.473 2.121 0.862 0.917 1.000 0.684 CA 1.660 20 residues pruned to eliminate duplicates Z: 7 2.315 1.326 0.301 0.260 0.667 0.500 CB 1.082 7 residues pruned to eliminate duplicates 7 1.362 1.585 0.784 0.377 0.833 0.500 CB 0.269 ? Z: 8 3.818 1.409 0.068 0.464 1.000 0.714 CB 0.995 Z: 16 10.907 1.815 0.421 0.380 0.867 0.667 CA 1.433 10 residues pruned to eliminate duplicates Z: 6 3.019 1.434 0.186 0.358 0.800 0.800 CB 1.157 Z: 7 3.373 1.425 0.338 0.402 0.833 0.667 C 0.961 Z: 7 2.409 1.454 0.559 0.237 0.667 0.333 CB 0.883 Z: 12 4.366 1.520 0.567 0.307 0.636 0.455 CA 1.076 6 1.616 1.352 -0.153 0.419 0.800 0.600 N 0.858 ? Z: 6 5.832 1.811 0.514 0.882 1.000 1.000 N 0.688 Z: 10 7.467 1.798 0.578 0.272 0.889 0.444 CB 1.278 10 residues pruned to eliminate duplicates Z: 12 8.193 1.875 0.544 0.348 0.727 0.455 CA 1.383 12 residues pruned to eliminate duplicates Z: 7 10.551 1.940 0.622 0.659 1.000 0.833 CA 1.181 7 residues pruned to eliminate duplicates Z: 32 24.237 2.014 0.699 0.431 0.839 0.613 CB 1.628 32 residues pruned to eliminate duplicates Z: 53 36.336 2.190 0.670 0.480 0.904 0.500 CB 1.556 53 residues pruned to eliminate duplicates Z: 15 8.431 1.807 0.425 0.338 0.786 0.500 CA 1.329 14 residues pruned to eliminate duplicates Z: 7 4.831 1.766 0.404 0.249 1.000 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 15 13.051 1.772 0.611 0.498 0.929 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 11 2.151 1.696 0.291 0.128 0.700 0.400 CB 0.707 11 residues pruned to eliminate duplicates Z: 6 6.898 1.543 0.587 0.733 1.000 0.600 N 1.022 Z: 60 34.878 2.051 0.644 0.541 0.881 0.508 CB 1.467 60 residues pruned to eliminate duplicates Z: 6 4.626 1.469 0.426 0.771 0.800 0.600 O 0.971 Z: 10 2.920 1.442 0.220 0.269 0.778 0.222 CB 0.926 Z: 14 11.710 1.700 0.464 0.802 0.923 0.692 CA 1.085 14 residues pruned to eliminate duplicates Z: 20 9.998 1.762 0.361 0.454 0.842 0.263 CB 1.190 19 residues pruned to eliminate duplicates Z: 12 3.256 1.638 0.186 0.428 0.636 0.455 CB 0.855 12 residues pruned to eliminate duplicates Z: 24 39.943 2.106 0.964 0.863 1.000 0.522 CB 1.477 24 residues pruned to eliminate duplicates Z: 7 2.328 1.304 -0.132 0.503 1.000 0.833 CB 0.838 Z: 28 24.334 2.001 0.442 0.685 0.926 0.778 CB 1.480 28 residues pruned to eliminate duplicates Z: 8 9.433 1.765 0.439 0.700 0.857 0.714 CB 1.364 8 residues pruned to eliminate duplicates Z: 10 7.232 1.473 0.383 0.776 0.889 0.444 CA 1.043 10 residues pruned to eliminate duplicates Z: 6 3.072 1.199 0.652 0.516 0.800 0.400 O 0.854 Z: 9 3.264 1.554 0.278 0.463 0.750 0.500 CB 0.805 Z: 13 7.087 1.801 0.366 0.364 0.833 0.333 CA 1.155 13 residues pruned to eliminate duplicates Z: 11 9.832 1.859 0.465 0.645 0.800 0.700 CB 1.247 12 residues pruned to eliminate duplicates Z: 13 10.788 2.033 0.268 0.495 0.833 0.500 CB 1.456 13 residues pruned to eliminate duplicates Z: 12 8.396 1.903 0.394 0.466 0.727 0.455 CB 1.359 12 residues pruned to eliminate duplicates Z: 13 4.467 1.537 0.003 0.422 0.917 0.583 N 0.991 11 residues pruned to eliminate duplicates Z: 9 9.427 1.960 -0.032 0.848 1.000 0.875 CB 1.303 9 residues pruned to eliminate duplicates Z: 23 13.616 1.798 0.552 0.387 0.864 0.727 CA 1.358 23 residues pruned to eliminate duplicates Z: 16 11.180 1.886 0.239 0.387 0.933 0.733 CB 1.492 16 residues pruned to eliminate duplicates Z: 20 30.539 2.020 0.896 0.908 0.947 0.526 CB 1.372 20 residues pruned to eliminate duplicates Z: 10 8.660 1.792 0.404 0.551 0.889 0.667 CB 1.229 10 residues pruned to eliminate duplicates Z: 6 2.821 1.626 -0.187 0.645 0.800 0.800 N 1.042 7 residues pruned to eliminate duplicates Z: 10 3.457 1.456 0.266 0.373 0.667 0.444 N 1.075 9 residues pruned to eliminate duplicates Z: 39 29.587 2.076 0.592 0.591 0.947 0.658 CA 1.404 39 residues pruned to eliminate duplicates Z: 6 3.726 1.428 0.763 0.306 0.800 0.800 CA 1.026 6 1.724 1.151 0.756 0.311 0.600 0.400 CB 0.784 ? Z: 7 2.840 1.460 0.190 0.343 0.667 0.500 CB 1.187 Z: 18 15.884 2.007 0.814 0.466 0.882 0.588 CB 1.242 18 residues pruned to eliminate duplicates Z: 13 30.168 2.092 0.883 0.926 1.000 0.917 CB 1.550 13 residues pruned to eliminate duplicates Z: 6 2.829 1.635 0.018 0.708 0.800 0.600 CB 0.787 6 residues pruned to eliminate duplicates Z: 31 23.315 1.977 0.583 0.606 0.967 0.833 CB 1.272 31 residues pruned to eliminate duplicates Z: 8 4.897 1.322 0.708 0.483 0.714 0.429 CB 1.168 8 residues pruned to eliminate duplicates Z: 6 2.245 1.487 0.099 0.423 0.600 0.400 CB 1.110 6 1.349 1.352 -0.114 0.331 0.600 0.400 N 1.010 ? Z: 8 4.328 1.683 0.411 0.541 0.714 0.571 CA 0.926 8 residues pruned to eliminate duplicates Z: 6 5.288 1.455 0.501 0.779 1.000 0.800 CA 0.847 6 residues pruned to eliminate duplicates Z: 6 3.048 1.117 0.864 0.618 1.000 0.600 N 0.586 Z: 6 3.684 1.374 0.642 0.412 0.800 0.800 CA 1.001 6 residues pruned to eliminate duplicates Z: 21 12.518 1.752 0.486 0.509 0.900 0.600 CA 1.183 21 residues pruned to eliminate duplicates Z: 6 3.745 1.527 0.400 0.319 1.000 0.800 CA 0.956 Z: 8 2.971 1.539 0.377 0.187 0.714 0.429 N 1.080 8 residues pruned to eliminate duplicates Z: 78 44.360 2.114 0.683 0.538 0.922 0.519 CB 1.485 78 residues pruned to eliminate duplicates Z: 26 17.499 2.016 0.504 0.477 0.840 0.680 CA 1.407 24 residues pruned to eliminate duplicates Z: 7 4.104 1.692 0.215 0.423 0.833 0.333 CA 1.059 7 residues pruned to eliminate duplicates Z: 11 4.914 1.548 0.487 0.334 0.900 0.500 CB 0.900 Z: 6 2.956 1.484 0.284 0.350 0.800 0.400 CA 1.021 Z: 6 2.454 1.272 0.102 0.489 1.000 0.600 C 0.792 Z: 15 14.815 1.863 0.489 0.517 0.929 0.786 CB 1.510 15 residues pruned to eliminate duplicates Z: 11 3.235 1.514 0.135 0.283 0.900 0.300 CB 0.845 11 residues pruned to eliminate duplicates 6 0.881 1.075 0.117 0.300 0.800 0.600 CB 0.513 ? Z: 10 11.435 1.746 0.663 0.686 1.000 0.889 CA 1.106 10 residues pruned to eliminate duplicates Z: 12 8.288 1.825 0.322 0.461 0.909 0.636 CB 1.185 12 residues pruned to eliminate duplicates Z: 6 4.208 1.963 -0.012 0.540 0.800 0.600 CB 1.166 6 residues pruned to eliminate duplicates Z: 61 37.067 2.213 0.521 0.541 0.917 0.550 CB 1.490 61 residues pruned to eliminate duplicates 6 1.447 1.388 -0.111 0.200 0.800 0.600 N 0.937 ? Z: 7 2.991 1.469 -0.003 0.399 0.833 0.667 CA 1.113 Using tripeptides from previous cycle as seeds Z: 6 3.933 1.430 0.572 0.372 1.000 0.800 CB 0.897 6 residues pruned to eliminate duplicates Z: 10 13.027 2.026 0.776 0.577 0.778 0.556 CB 1.441 9 residues pruned to eliminate duplicates Z: 6 5.503 1.774 0.240 0.363 1.000 0.400 CA 1.297 5 residues pruned to eliminate duplicates Z: 9 12.474 1.743 0.406 0.873 1.000 0.750 CA 1.311 9 residues pruned to eliminate duplicates Z: 9 12.300 1.767 0.301 0.870 1.000 0.500 CA 1.381 9 residues pruned to eliminate duplicates Z: 10 11.306 1.608 0.377 0.807 1.000 0.444 CA 1.303 10 residues pruned to eliminate duplicates Z: 19 12.581 1.706 0.743 0.584 0.722 0.278 CB 1.274 8 residues pruned to eliminate duplicates Z: 6 7.168 1.772 0.838 0.408 1.000 0.400 CA 1.083 6 residues pruned to eliminate duplicates Z: 8 10.480 1.898 0.483 0.650 0.857 0.714 CA 1.428 8 residues pruned to eliminate duplicates Z: 10 7.333 1.731 0.302 0.514 0.889 0.333 CB 1.204 10 residues pruned to eliminate duplicates Z: 10 8.137 1.781 0.403 0.607 0.778 0.556 CB 1.261 10 residues pruned to eliminate duplicates Z: 10 8.326 1.780 0.668 0.411 0.778 0.667 CA 1.319 10 residues pruned to eliminate duplicates Z: 6 2.538 1.086 0.648 0.289 1.000 0.800 N 0.803 6 residues pruned to eliminate duplicates Z: 16 6.915 1.829 0.538 0.315 0.600 0.333 CA 1.297 16 residues pruned to eliminate duplicates Z: 14 9.125 1.882 0.726 0.301 0.769 0.462 CA 1.264 14 residues pruned to eliminate duplicates Z: 14 8.446 1.815 0.563 0.412 0.769 0.385 CA 1.177 14 residues pruned to eliminate duplicates Z: 8 8.264 1.730 0.673 0.468 0.857 0.429 CA 1.301 8 residues pruned to eliminate duplicates Z: 14 19.073 1.966 0.624 0.564 1.000 0.692 CA 1.557 14 residues pruned to eliminate duplicates Z: 7 4.839 1.637 0.605 0.581 0.667 0.167 CB 1.043 7 residues pruned to eliminate duplicates Z: 16 15.289 1.864 0.610 0.504 0.867 0.467 CB 1.512 16 residues pruned to eliminate duplicates Z: 15 14.718 1.918 0.518 0.446 0.929 0.571 CB 1.538 15 residues pruned to eliminate duplicates Z: 13 19.430 2.032 0.704 0.561 1.000 0.667 CA 1.527 13 residues pruned to eliminate duplicates Z: 7 3.659 1.619 -0.068 0.351 1.000 0.500 CA 1.164 7 residues pruned to eliminate duplicates Z: 15 13.430 1.937 0.428 0.549 0.857 0.571 CB 1.443 15 residues pruned to eliminate duplicates Z: 15 17.312 1.855 0.676 0.541 0.929 0.571 CA 1.540 16 residues pruned to eliminate duplicates Z: 7 5.242 1.497 0.470 0.410 0.833 0.667 O 1.283 7 residues pruned to eliminate duplicates Z: 9 22.018 2.176 0.976 0.753 1.000 0.625 CA 1.445 9 residues pruned to eliminate duplicates Z: 10 19.898 2.022 0.809 0.830 1.000 0.778 CA 1.363 10 residues pruned to eliminate duplicates Z: 10 7.183 1.938 0.140 0.532 0.778 0.333 CB 1.350 10 residues pruned to eliminate duplicates Z: 10 6.309 1.919 0.523 0.189 0.778 0.444 CA 1.343 10 residues pruned to eliminate duplicates Z: 17 11.914 1.830 0.526 0.440 0.812 0.500 CA 1.397 16 residues pruned to eliminate duplicates Z: 7 2.937 1.532 0.723 0.138 0.667 0.167 CA 1.067 7 residues pruned to eliminate duplicates Z: 24 16.635 1.928 0.408 0.358 1.000 0.652 CA 1.489 23 residues pruned to eliminate duplicates Z: 6 4.556 1.504 0.684 0.357 1.000 0.600 CA 0.939 6 residues pruned to eliminate duplicates Z: 24 16.358 1.849 0.371 0.388 1.000 0.652 CA 1.515 24 residues pruned to eliminate duplicates Z: 23 16.010 1.953 0.394 0.362 0.955 0.636 CA 1.523 23 residues pruned to eliminate duplicates Z: 22 16.790 1.937 0.421 0.402 1.000 0.667 CA 1.477 24 residues pruned to eliminate duplicates Z: 9 8.309 1.594 0.554 0.591 1.000 0.625 CA 1.087 9 residues pruned to eliminate duplicates Z: 24 16.062 1.945 0.396 0.313 0.957 0.522 CA 1.585 24 residues pruned to eliminate duplicates Z: 29 17.447 1.882 0.507 0.338 0.964 0.714 CA 1.439 36 residues pruned to eliminate duplicates Z: 7 3.048 1.427 0.471 0.260 0.833 0.500 CB 0.936 7 residues pruned to eliminate duplicates Z: 21 20.087 1.981 0.596 0.400 1.000 0.650 CB 1.580 21 residues pruned to eliminate duplicates Z: 25 14.476 1.893 0.369 0.349 0.958 0.667 CB 1.401 25 residues pruned to eliminate duplicates Z: 16 13.698 1.896 0.584 0.304 0.933 0.733 CB 1.570 16 residues pruned to eliminate duplicates Z: 21 17.102 1.932 0.585 0.422 1.000 0.950 CA 1.354 21 residues pruned to eliminate duplicates Z: 23 17.127 1.957 0.497 0.341 0.955 0.500 CB 1.553 23 residues pruned to eliminate duplicates Z: 23 17.406 1.977 0.448 0.348 1.000 0.773 CB 1.529 23 residues pruned to eliminate duplicates Z: 23 16.621 1.969 0.476 0.341 0.955 0.727 CA 1.519 23 residues pruned to eliminate duplicates Z: 32 16.144 1.942 0.351 0.317 0.871 0.548 CA 1.553 32 residues pruned to eliminate duplicates Z: 24 16.538 1.932 0.530 0.308 0.957 0.609 CA 1.509 24 residues pruned to eliminate duplicates Z: 23 16.286 1.944 0.458 0.351 0.955 0.636 CA 1.508 23 residues pruned to eliminate duplicates Z: 8 4.511 2.040 0.301 0.359 0.571 0.429 CB 1.308 8 residues pruned to eliminate duplicates Z: 6 5.525 2.085 0.443 0.491 0.600 0.600 CB 1.381 6 residues pruned to eliminate duplicates Z: 6 5.407 2.135 0.489 0.480 0.600 0.600 CB 1.294 6 residues pruned to eliminate duplicates Z: 10 7.311 1.746 0.541 0.535 0.667 0.444 N 1.313 10 residues pruned to eliminate duplicates Z: 10 9.645 1.856 0.354 0.580 0.778 0.556 N 1.522 10 residues pruned to eliminate duplicates Z: 16 14.267 1.998 0.515 0.547 0.733 0.533 CA 1.584 16 residues pruned to eliminate duplicates Z: 11 9.988 1.860 0.448 0.515 0.800 0.500 CA 1.445 11 residues pruned to eliminate duplicates Z: 14 10.397 1.656 0.480 0.420 1.000 0.615 N 1.279 14 residues pruned to eliminate duplicates Z: 16 10.140 1.745 0.340 0.441 0.867 0.533 CB 1.372 16 residues pruned to eliminate duplicates Z: 16 9.827 1.674 0.460 0.440 0.867 0.400 N 1.274 16 residues pruned to eliminate duplicates Z: 12 10.907 1.770 0.474 0.498 0.909 0.818 CA 1.390 12 residues pruned to eliminate duplicates Z: 8 11.970 1.904 0.406 0.639 1.000 0.714 CA 1.484 8 residues pruned to eliminate duplicates Z: 16 9.838 1.874 0.215 0.522 0.800 0.400 CB 1.365 16 residues pruned to eliminate duplicates Z: 10 8.062 1.670 0.333 0.516 0.889 0.667 CB 1.337 10 residues pruned to eliminate duplicates Z: 10 11.873 2.034 0.402 0.659 1.000 0.889 CB 1.198 10 residues pruned to eliminate duplicates Z: 10 10.338 2.052 0.199 0.658 1.000 0.889 CB 1.210 10 residues pruned to eliminate duplicates Z: 22 14.262 1.916 0.466 0.461 0.810 0.333 CB 1.423 22 residues pruned to eliminate duplicates Z: 23 11.138 1.918 0.283 0.472 0.773 0.591 CB 1.286 23 residues pruned to eliminate duplicates Z: 12 12.173 1.966 0.392 0.600 1.000 0.818 CB 1.219 12 residues pruned to eliminate duplicates Z: 12 9.655 1.876 0.474 0.537 0.909 0.545 CB 1.117 12 residues pruned to eliminate duplicates Z: 11 14.163 2.077 0.526 0.626 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 25 13.228 1.893 0.367 0.490 0.792 0.375 CB 1.332 24 residues pruned to eliminate duplicates Z: 6 4.100 1.640 0.214 0.484 0.800 0.400 CA 1.170 6 residues pruned to eliminate duplicates Z: 83 44.648 2.089 0.553 0.571 0.951 0.671 CA 1.492 83 residues pruned to eliminate duplicates Z: 40 28.996 2.020 0.573 0.565 0.949 0.564 CA 1.447 40 residues pruned to eliminate duplicates Z: 48 28.962 2.025 0.493 0.534 0.894 0.574 CA 1.513 48 residues pruned to eliminate duplicates Z: 58 42.683 2.089 0.614 0.623 0.982 0.614 CA 1.520 58 residues pruned to eliminate duplicates Z: 44 28.069 2.049 0.490 0.565 0.953 0.605 CA 1.381 44 residues pruned to eliminate duplicates Z: 83 43.738 2.102 0.558 0.576 0.927 0.610 CA 1.478 83 residues pruned to eliminate duplicates Z: 39 29.369 2.102 0.565 0.618 0.947 0.605 CA 1.368 39 residues pruned to eliminate duplicates Z: 79 42.660 2.077 0.537 0.583 0.936 0.615 CA 1.494 79 residues pruned to eliminate duplicates Z: 41 28.159 2.074 0.377 0.592 0.975 0.500 CA 1.465 41 residues pruned to eliminate duplicates Z: 40 30.671 2.021 0.597 0.632 0.897 0.615 CA 1.498 40 residues pruned to eliminate duplicates Z: 68 39.055 2.109 0.593 0.556 0.925 0.567 CA 1.453 68 residues pruned to eliminate duplicates Z: 47 28.510 2.052 0.467 0.530 0.935 0.478 CA 1.450 47 residues pruned to eliminate duplicates Z: 41 28.848 2.050 0.477 0.634 0.925 0.525 CA 1.437 41 residues pruned to eliminate duplicates Z: 46 39.488 2.140 0.646 0.640 0.956 0.533 CA 1.534 46 residues pruned to eliminate duplicates Z: 47 31.376 2.053 0.540 0.539 0.913 0.522 CA 1.542 47 residues pruned to eliminate duplicates Z: 45 30.167 2.060 0.475 0.573 0.932 0.500 CA 1.496 45 residues pruned to eliminate duplicates Z: 73 45.767 2.116 0.754 0.541 0.917 0.528 CA 1.522 73 residues pruned to eliminate duplicates Z: 63 40.904 2.083 0.645 0.612 0.952 0.613 CA 1.432 63 residues pruned to eliminate duplicates Z: 51 36.465 2.074 0.598 0.639 0.920 0.540 CA 1.485 51 residues pruned to eliminate duplicates Z: 39 26.922 2.082 0.495 0.600 0.974 0.632 CA 1.309 39 residues pruned to eliminate duplicates Z: 40 28.654 2.102 0.564 0.553 0.949 0.462 CA 1.398 40 residues pruned to eliminate duplicates Z: 36 29.704 2.060 0.750 0.587 0.914 0.571 CA 1.401 36 residues pruned to eliminate duplicates Z: 82 43.826 2.095 0.597 0.563 0.926 0.556 CA 1.478 82 residues pruned to eliminate duplicates Z: 43 26.000 2.035 0.520 0.542 0.929 0.571 CA 1.340 43 residues pruned to eliminate duplicates Z: 74 39.266 2.093 0.606 0.523 0.945 0.562 CA 1.414 74 residues pruned to eliminate duplicates Z: 81 37.748 2.077 0.542 0.516 0.887 0.575 CA 1.462 81 residues pruned to eliminate duplicates Z: 71 41.808 2.067 0.683 0.547 0.943 0.557 CA 1.456 71 residues pruned to eliminate duplicates Z: 41 26.184 2.031 0.619 0.572 0.875 0.500 CA 1.341 41 residues pruned to eliminate duplicates Z: 43 31.426 2.041 0.614 0.568 0.952 0.571 CA 1.447 43 residues pruned to eliminate duplicates Z: 51 28.766 2.017 0.482 0.531 0.920 0.520 CA 1.435 51 residues pruned to eliminate duplicates Z: 76 44.318 2.137 0.663 0.575 0.907 0.587 CA 1.477 76 residues pruned to eliminate duplicates Z: 82 42.447 2.101 0.609 0.546 0.889 0.531 CA 1.501 82 residues pruned to eliminate duplicates Z: 76 44.884 2.119 0.614 0.564 0.933 0.547 CA 1.526 76 residues pruned to eliminate duplicates Z: 48 29.220 2.015 0.532 0.501 0.936 0.553 CA 1.473 48 residues pruned to eliminate duplicates Z: 48 29.069 2.010 0.681 0.510 0.894 0.489 CA 1.390 48 residues pruned to eliminate duplicates Z: 41 27.083 2.117 0.572 0.496 0.925 0.525 CA 1.396 41 residues pruned to eliminate duplicates Z: 43 31.517 2.107 0.623 0.521 0.929 0.500 CA 1.500 43 residues pruned to eliminate duplicates Z: 71 44.670 2.136 0.696 0.596 0.914 0.600 CA 1.471 71 residues pruned to eliminate duplicates Z: 60 40.388 2.077 0.645 0.624 0.915 0.593 CA 1.495 60 residues pruned to eliminate duplicates Z: 80 46.743 2.080 0.689 0.550 0.937 0.557 CA 1.522 80 residues pruned to eliminate duplicates Z: 76 42.723 2.077 0.632 0.576 0.920 0.560 CA 1.470 76 residues pruned to eliminate duplicates Z: 51 42.166 2.100 0.766 0.655 0.960 0.620 CA 1.450 51 residues pruned to eliminate duplicates Z: 66 43.617 2.139 0.686 0.590 0.908 0.600 CA 1.516 66 residues pruned to eliminate duplicates Z: 18 24.735 2.099 0.922 0.712 0.941 0.529 CA 1.304 18 residues pruned to eliminate duplicates Z: 73 45.128 2.116 0.649 0.542 0.958 0.625 CA 1.526 73 residues pruned to eliminate duplicates Z: 70 46.616 2.125 0.694 0.546 0.971 0.551 CA 1.535 70 residues pruned to eliminate duplicates Z: 78 45.125 2.107 0.634 0.571 0.961 0.636 CA 1.451 78 residues pruned to eliminate duplicates Z: 83 48.227 2.113 0.580 0.581 0.951 0.549 CA 1.552 90 residues pruned to eliminate duplicates Z: 7 4.120 1.785 0.951 0.263 0.667 0.333 CB 0.950 7 residues pruned to eliminate duplicates Z: 76 40.253 2.096 0.643 0.509 0.893 0.520 CA 1.497 76 residues pruned to eliminate duplicates Z: 73 45.441 2.137 0.636 0.594 0.944 0.597 CA 1.483 73 residues pruned to eliminate duplicates Z: 26 16.364 1.917 0.644 0.350 0.800 0.520 CA 1.528 26 residues pruned to eliminate duplicates Z: 77 46.741 2.143 0.586 0.583 0.961 0.592 CA 1.516 77 residues pruned to eliminate duplicates Z: 6 7.323 1.747 0.839 0.313 1.000 0.600 CA 1.253 6 residues pruned to eliminate duplicates Z: 76 41.531 2.090 0.643 0.560 0.920 0.547 CA 1.432 76 residues pruned to eliminate duplicates Z: 77 43.308 2.134 0.616 0.565 0.908 0.539 CA 1.491 78 residues pruned to eliminate duplicates Z: 11 14.440 1.897 0.796 0.637 1.000 0.500 CA 1.179 11 residues pruned to eliminate duplicates Z: 70 47.624 2.131 0.677 0.601 0.957 0.507 CA 1.523 70 residues pruned to eliminate duplicates Z: 78 42.405 2.065 0.665 0.538 0.922 0.506 CA 1.468 77 residues pruned to eliminate duplicates Z: 10 11.477 1.783 0.580 0.839 1.000 0.778 CA 1.013 10 residues pruned to eliminate duplicates Z: 83 48.801 2.107 0.601 0.582 0.951 0.549 CA 1.552 83 residues pruned to eliminate duplicates Z: 10 13.005 1.806 0.703 0.796 1.000 0.667 CA 1.088 10 residues pruned to eliminate duplicates Z: 25 18.702 2.073 0.395 0.474 0.875 0.500 CA 1.548 25 residues pruned to eliminate duplicates Z: 25 16.510 2.133 0.505 0.460 0.792 0.542 CA 1.381 25 residues pruned to eliminate duplicates Z: 56 32.330 2.061 0.647 0.533 0.800 0.382 CA 1.554 56 residues pruned to eliminate duplicates Z: 13 11.028 1.868 0.676 0.625 0.833 0.667 CA 1.085 13 residues pruned to eliminate duplicates Z: 80 45.706 2.024 0.670 0.541 0.962 0.595 CB 1.519 186 residues pruned to eliminate duplicates 7 1.752 1.371 0.596 0.339 0.500 0.333 N 0.779 ? Z: 6 4.251 1.539 0.219 0.661 0.800 0.400 N 1.091 6 residues pruned to eliminate duplicates Z: 30 13.793 1.923 0.444 0.319 0.828 0.414 CB 1.360 30 residues pruned to eliminate duplicates Z: 23 16.260 1.980 0.386 0.415 0.955 0.591 CB 1.445 23 residues pruned to eliminate duplicates Z: 23 13.490 1.969 0.417 0.346 0.818 0.500 CA 1.489 23 residues pruned to eliminate duplicates Z: 21 13.426 2.006 0.261 0.367 0.950 0.550 CA 1.441 21 residues pruned to eliminate duplicates Z: 23 12.278 1.914 0.254 0.329 0.955 0.364 CB 1.379 23 residues pruned to eliminate duplicates Z: 23 13.224 1.914 0.487 0.315 0.864 0.364 CB 1.406 23 residues pruned to eliminate duplicates Z: 10 7.214 2.017 0.475 0.148 0.889 0.444 CA 1.403 10 residues pruned to eliminate duplicates Z: 21 9.973 1.892 0.243 0.288 0.950 0.350 CB 1.266 21 residues pruned to eliminate duplicates Z: 24 15.602 1.956 0.385 0.388 0.957 0.522 CB 1.414 23 residues pruned to eliminate duplicates Z: 6 6.311 1.851 0.515 0.565 1.000 0.800 CA 0.945 6 residues pruned to eliminate duplicates Z: 22 14.328 2.003 0.481 0.378 0.810 0.476 CB 1.482 22 residues pruned to eliminate duplicates Z: 26 14.869 1.979 0.435 0.341 0.880 0.400 CA 1.415 26 residues pruned to eliminate duplicates Z: 17 10.431 2.032 0.213 0.374 0.938 0.688 CB 1.292 17 residues pruned to eliminate duplicates Z: 18 9.819 1.971 0.378 0.345 0.824 0.412 CB 1.260 18 residues pruned to eliminate duplicates Z: 19 8.150 1.810 0.272 0.363 0.889 0.444 CB 1.088 19 residues pruned to eliminate duplicates Z: 29 14.772 1.969 0.418 0.348 0.857 0.429 CB 1.376 29 residues pruned to eliminate duplicates Z: 8 2.506 1.905 0.163 0.400 0.714 0.571 CB 0.665 8 residues pruned to eliminate duplicates Z: 27 12.378 1.988 0.338 0.345 0.846 0.308 CB 1.276 27 residues pruned to eliminate duplicates Z: 30 21.436 2.035 0.668 0.484 0.897 0.621 CB 1.329 30 residues pruned to eliminate duplicates Z: 6 4.958 1.693 0.843 0.456 0.600 0.600 C 1.238 6 residues pruned to eliminate duplicates Z: 56 19.890 1.938 0.392 0.382 0.873 0.527 CB 1.291 56 residues pruned to eliminate duplicates Z: 26 20.808 2.020 0.583 0.516 0.960 0.760 CB 1.334 26 residues pruned to eliminate duplicates Z: 14 18.792 1.964 0.795 0.569 1.000 0.615 CB 1.384 14 residues pruned to eliminate duplicates Z: 30 20.475 2.044 0.654 0.483 0.897 0.690 CB 1.275 30 residues pruned to eliminate duplicates Z: 48 21.047 2.020 0.505 0.387 0.851 0.532 CB 1.337 48 residues pruned to eliminate duplicates Z: 51 21.864 2.019 0.462 0.416 0.840 0.540 CB 1.362 51 residues pruned to eliminate duplicates Z: 33 17.109 1.941 0.600 0.386 0.844 0.531 CB 1.303 33 residues pruned to eliminate duplicates Z: 24 18.081 2.013 0.544 0.464 0.913 0.609 CB 1.378 22 residues pruned to eliminate duplicates Z: 6 2.879 1.478 0.211 0.311 1.000 0.600 CA 0.887 6 residues pruned to eliminate duplicates Z: 49 24.038 2.037 0.582 0.421 0.875 0.500 CB 1.336 51 residues pruned to eliminate duplicates Z: 6 5.234 1.460 0.672 0.485 1.000 0.600 CA 0.974 6 residues pruned to eliminate duplicates Z: 12 13.387 2.100 0.522 0.491 0.909 0.636 CB 1.402 12 residues pruned to eliminate duplicates Z: 27 22.726 2.074 0.728 0.495 0.923 0.654 CB 1.354 28 residues pruned to eliminate duplicates Z: 6 3.909 1.609 0.804 0.386 1.000 0.400 CB 0.680 6 residues pruned to eliminate duplicates Z: 16 12.526 1.896 0.603 0.434 0.933 0.533 CB 1.221 22 residues pruned to eliminate duplicates Z: 6 2.686 1.297 1.113 0.437 1.000 0.400 CA 0.468 6 residues pruned to eliminate duplicates Z: 8 15.320 1.961 0.848 0.691 1.000 0.571 CB 1.342 8 residues pruned to eliminate duplicates Z: 6 3.463 1.480 0.239 0.653 1.000 0.000 CA 0.732 6 residues pruned to eliminate duplicates Z: 32 17.714 2.032 0.391 0.389 0.839 0.548 CA 1.509 32 residues pruned to eliminate duplicates Z: 18 9.540 1.792 0.397 0.344 0.882 0.471 CA 1.241 18 residues pruned to eliminate duplicates Z: 33 10.452 1.941 0.207 0.252 0.781 0.344 CB 1.342 33 residues pruned to eliminate duplicates Z: 31 18.223 2.038 0.374 0.396 0.867 0.567 CB 1.530 31 residues pruned to eliminate duplicates Z: 18 13.070 2.172 0.256 0.321 0.824 0.412 CA 1.719 18 residues pruned to eliminate duplicates Z: 10 4.920 1.893 0.154 0.279 0.778 0.222 N 1.239 10 residues pruned to eliminate duplicates Z: 34 15.484 2.013 0.365 0.386 0.818 0.545 CB 1.353 34 residues pruned to eliminate duplicates Z: 20 10.105 2.158 0.151 0.276 0.737 0.316 CB 1.633 20 residues pruned to eliminate duplicates Z: 16 11.598 2.109 0.182 0.442 0.800 0.533 CB 1.594 16 residues pruned to eliminate duplicates Z: 22 10.311 2.062 0.087 0.347 0.762 0.333 CB 1.556 22 residues pruned to eliminate duplicates Z: 10 6.292 2.163 0.165 0.372 0.667 0.444 CB 1.433 10 residues pruned to eliminate duplicates Z: 21 12.407 2.151 0.184 0.338 0.800 0.400 CA 1.625 21 residues pruned to eliminate duplicates Z: 30 13.571 2.041 0.444 0.315 0.759 0.483 CB 1.382 30 residues pruned to eliminate duplicates Z: 16 10.738 2.116 0.087 0.376 0.867 0.333 CB 1.588 16 residues pruned to eliminate duplicates Z: 14 8.181 2.221 0.108 0.274 0.692 0.385 CB 1.721 14 residues pruned to eliminate duplicates Z: 16 11.348 2.140 0.088 0.350 0.933 0.600 CB 1.585 16 residues pruned to eliminate duplicates Z: 31 11.792 2.142 0.395 0.279 0.700 0.433 CB 1.322 31 residues pruned to eliminate duplicates Z: 21 12.479 2.088 0.333 0.365 0.800 0.500 CB 1.449 21 residues pruned to eliminate duplicates Z: 31 13.642 2.137 0.334 0.298 0.767 0.400 CB 1.429 31 residues pruned to eliminate duplicates Z: 16 6.651 2.150 0.344 0.252 0.600 0.333 CB 1.317 16 residues pruned to eliminate duplicates Z: 17 7.410 2.094 0.323 0.220 0.750 0.312 CB 1.239 17 residues pruned to eliminate duplicates Z: 16 7.905 2.200 0.448 0.208 0.667 0.267 CB 1.358 16 residues pruned to eliminate duplicates Z: 40 18.047 2.047 0.476 0.322 0.821 0.385 CB 1.417 39 residues pruned to eliminate duplicates Z: 7 7.889 1.884 0.346 0.619 0.833 0.500 CB 1.362 7 residues pruned to eliminate duplicates Z: 29 13.191 2.148 0.386 0.247 0.750 0.286 CB 1.496 29 residues pruned to eliminate duplicates Z: 13 6.307 2.115 0.496 0.139 0.667 0.250 CB 1.351 13 residues pruned to eliminate duplicates Z: 20 9.685 2.055 0.391 0.228 0.842 0.421 CB 1.269 20 residues pruned to eliminate duplicates Z: 47 18.583 2.066 0.490 0.296 0.826 0.478 CB 1.353 47 residues pruned to eliminate duplicates Z: 15 6.288 2.166 0.289 0.216 0.786 0.357 CB 1.069 15 residues pruned to eliminate duplicates Z: 15 8.455 2.168 0.399 0.175 0.857 0.286 CB 1.288 15 residues pruned to eliminate duplicates Z: 42 23.586 2.160 0.683 0.449 0.805 0.512 CB 1.326 42 residues pruned to eliminate duplicates Z: 34 20.934 2.137 0.556 0.370 0.909 0.606 CB 1.384 34 residues pruned to eliminate duplicates Z: 59 31.231 2.068 0.616 0.429 0.914 0.466 CB 1.446 58 residues pruned to eliminate duplicates Z: 8 6.706 1.855 0.874 0.359 0.857 0.286 CB 0.990 8 residues pruned to eliminate duplicates Z: 28 20.604 2.194 0.718 0.391 0.926 0.593 CB 1.275 27 residues pruned to eliminate duplicates Z: 7 2.406 1.501 0.786 0.327 0.667 0.167 CA 0.664 7 residues pruned to eliminate duplicates Z: 42 22.375 2.142 0.603 0.427 0.805 0.415 CB 1.364 42 residues pruned to eliminate duplicates Z: 57 30.506 2.085 0.533 0.439 0.911 0.500 CB 1.491 58 residues pruned to eliminate duplicates Z: 6 3.944 1.599 0.520 0.347 0.800 0.200 C 1.072 6 residues pruned to eliminate duplicates Z: 28 18.711 2.142 0.682 0.357 0.852 0.444 CA 1.370 28 residues pruned to eliminate duplicates Z: 32 20.935 2.119 0.647 0.360 0.903 0.548 CB 1.387 32 residues pruned to eliminate duplicates Z: 32 13.027 1.959 0.712 0.216 0.742 0.419 CB 1.313 32 residues pruned to eliminate duplicates Z: 23 16.694 2.227 0.701 0.242 0.818 0.500 CA 1.547 23 residues pruned to eliminate duplicates Z: 26 19.988 2.042 0.685 0.367 0.840 0.520 CA 1.596 26 residues pruned to eliminate duplicates Z: 6 5.352 1.527 0.443 0.445 1.000 1.000 CA 1.150 6 residues pruned to eliminate duplicates Z: 25 28.152 2.088 0.522 0.728 0.958 0.792 CB 1.537 25 residues pruned to eliminate duplicates Z: 27 26.867 2.069 0.479 0.665 0.923 0.731 CB 1.601 27 residues pruned to eliminate duplicates Z: 25 26.431 2.108 0.514 0.594 0.917 0.750 CB 1.686 25 residues pruned to eliminate duplicates Z: 25 27.319 2.076 0.543 0.619 0.958 0.708 CA 1.624 25 residues pruned to eliminate duplicates Z: 51 35.690 2.131 0.669 0.499 0.920 0.660 CB 1.543 32 residues pruned to eliminate duplicates Z: 16 22.837 2.191 0.720 0.862 0.933 0.800 CB 1.231 16 residues pruned to eliminate duplicates Z: 12 4.566 1.761 0.571 0.229 0.727 0.455 CB 0.939 12 residues pruned to eliminate duplicates Z: 27 24.583 2.071 0.493 0.607 0.962 0.731 CB 1.465 27 residues pruned to eliminate duplicates Z: 31 29.100 2.002 0.612 0.692 0.900 0.833 CB 1.535 31 residues pruned to eliminate duplicates Z: 28 27.817 2.069 0.607 0.653 0.926 0.741 CB 1.507 29 residues pruned to eliminate duplicates Z: 16 28.200 2.163 0.814 0.902 1.000 0.867 CB 1.324 16 residues pruned to eliminate duplicates Z: 31 27.037 2.015 0.584 0.629 0.900 0.733 CB 1.522 31 residues pruned to eliminate duplicates Z: 26 26.447 2.131 0.601 0.637 0.880 0.680 CB 1.549 26 residues pruned to eliminate duplicates Z: 27 27.557 2.075 0.725 0.664 0.885 0.692 CB 1.466 27 residues pruned to eliminate duplicates Z: 38 31.691 2.094 0.627 0.601 0.838 0.676 CB 1.658 38 residues pruned to eliminate duplicates Z: 27 27.169 2.096 0.611 0.649 0.923 0.654 CB 1.488 27 residues pruned to eliminate duplicates Z: 28 27.665 2.024 0.564 0.676 0.926 0.593 CB 1.544 28 residues pruned to eliminate duplicates Z: 18 13.291 2.010 0.701 0.600 0.647 0.529 CB 1.324 18 residues pruned to eliminate duplicates Z: 24 27.179 2.103 0.680 0.632 0.913 0.522 CA 1.552 24 residues pruned to eliminate duplicates Z: 33 22.099 2.120 0.653 0.399 0.875 0.500 CB 1.418 21 residues pruned to eliminate duplicates Z: 6 2.456 1.445 0.498 0.397 1.000 0.400 CB 0.566 6 residues pruned to eliminate duplicates Z: 56 33.227 2.107 0.736 0.470 0.836 0.491 CB 1.510 22 residues pruned to eliminate duplicates Z: 8 13.141 1.859 0.587 0.840 1.000 0.857 CB 1.256 Z: 9 16.054 1.861 0.802 0.860 1.000 0.875 CB 1.245 8 residues pruned to eliminate duplicates Z: 9 13.014 1.840 0.616 0.829 1.000 0.875 CA 1.164 9 residues pruned to eliminate duplicates Z: 9 12.160 1.886 0.606 0.856 0.875 0.750 CB 1.196 9 residues pruned to eliminate duplicates Z: 9 13.308 1.893 0.497 0.882 1.000 0.750 CB 1.202 9 residues pruned to eliminate duplicates Z: 11 14.672 1.831 0.773 0.676 0.900 0.400 CA 1.351 9 residues pruned to eliminate duplicates Z: 10 5.529 1.738 0.370 0.553 0.889 0.778 CB 0.827 10 residues pruned to eliminate duplicates Z: 12 4.164 1.954 0.355 0.142 0.818 0.455 CB 0.903 12 residues pruned to eliminate duplicates Z: 9 8.390 2.053 0.632 0.201 1.000 0.625 CB 1.262 9 residues pruned to eliminate duplicates Z: 9 12.072 1.864 0.858 0.417 1.000 0.250 CB 1.345 9 residues pruned to eliminate duplicates Z: 10 6.866 1.894 0.677 0.189 0.889 0.556 CB 1.177 10 residues pruned to eliminate duplicates Z: 23 14.348 2.027 0.749 0.356 0.773 0.455 CB 1.305 23 residues pruned to eliminate duplicates Z: 21 12.468 1.985 0.630 0.387 0.750 0.400 CA 1.296 21 residues pruned to eliminate duplicates Z: 24 14.288 1.966 0.783 0.338 0.870 0.435 CB 1.166 24 residues pruned to eliminate duplicates Z: 20 12.312 2.066 0.556 0.331 0.842 0.474 CB 1.256 20 residues pruned to eliminate duplicates Z: 19 11.660 2.002 0.832 0.449 0.667 0.444 CB 1.185 49 residues pruned to eliminate duplicates Z: 22 15.409 2.036 0.873 0.374 0.810 0.476 CB 1.246 Z: 7 5.026 1.714 0.319 0.454 1.000 0.333 CB 0.952 7 residues pruned to eliminate duplicates Z: 11 15.345 2.084 0.817 0.574 0.900 0.500 CA 1.326 11 residues pruned to eliminate duplicates Z: 18 11.147 1.939 0.607 0.367 0.824 0.294 CA 1.215 14 residues pruned to eliminate duplicates Z: 23 31.252 2.172 0.672 0.866 0.909 0.500 CB 1.477 23 residues pruned to eliminate duplicates Z: 74 43.115 2.184 0.511 0.578 0.959 0.603 CB 1.479 74 residues pruned to eliminate duplicates Z: 55 41.646 2.279 0.580 0.525 0.926 0.463 CB 1.659 40 residues pruned to eliminate duplicates Z: 21 41.917 2.327 0.674 0.904 1.000 0.650 CB 1.714 16 residues pruned to eliminate duplicates Z: 21 41.890 2.243 0.799 0.890 1.000 0.600 CB 1.670 21 residues pruned to eliminate duplicates Z: 22 43.545 2.244 0.823 0.890 1.000 0.619 CB 1.670 22 residues pruned to eliminate duplicates Z: 21 44.937 2.312 0.786 0.925 1.000 0.650 CB 1.708 21 residues pruned to eliminate duplicates Z: 21 45.290 2.302 0.837 0.917 1.000 0.800 CB 1.690 21 residues pruned to eliminate duplicates Z: 62 42.443 2.277 0.519 0.552 0.934 0.574 CB 1.599 62 residues pruned to eliminate duplicates Z: 47 35.771 2.161 0.486 0.615 0.957 0.630 CB 1.539 47 residues pruned to eliminate duplicates Z: 63 45.893 2.241 0.673 0.572 0.935 0.484 CB 1.551 63 residues pruned to eliminate duplicates Z: 54 36.422 2.140 0.573 0.546 0.906 0.472 CB 1.568 54 residues pruned to eliminate duplicates Z: 61 47.367 2.255 0.642 0.585 0.967 0.550 CB 1.575 61 residues pruned to eliminate duplicates Z: 64 44.083 2.210 0.701 0.541 0.905 0.556 CB 1.568 64 residues pruned to eliminate duplicates Z: 70 42.096 2.178 0.598 0.532 0.928 0.565 CB 1.521 70 residues pruned to eliminate duplicates Z: 46 41.198 2.158 0.779 0.636 0.933 0.711 CB 1.509 46 residues pruned to eliminate duplicates Z: 47 26.169 2.114 0.507 0.485 0.913 0.500 CB 1.347 47 residues pruned to eliminate duplicates Z: 74 42.172 2.185 0.620 0.507 0.945 0.521 CB 1.465 74 residues pruned to eliminate duplicates Z: 33 26.582 2.183 0.788 0.444 0.906 0.281 CB 1.407 33 residues pruned to eliminate duplicates Z: 37 25.692 2.170 0.592 0.460 0.944 0.444 CB 1.367 37 residues pruned to eliminate duplicates Z: 30 19.889 2.197 0.579 0.446 0.862 0.448 CB 1.306 30 residues pruned to eliminate duplicates Z: 63 48.752 2.243 0.625 0.583 0.968 0.532 CB 1.621 63 residues pruned to eliminate duplicates Z: 23 21.866 2.151 0.450 0.542 0.955 0.591 CB 1.503 23 residues pruned to eliminate duplicates Z: 20 23.546 2.292 0.580 0.492 0.947 0.421 CB 1.587 20 residues pruned to eliminate duplicates Z: 61 48.775 2.293 0.621 0.577 0.967 0.633 CB 1.627 61 residues pruned to eliminate duplicates Z: 62 46.454 2.229 0.737 0.567 0.918 0.557 CB 1.568 62 residues pruned to eliminate duplicates Z: 68 43.626 2.245 0.669 0.549 0.910 0.493 CB 1.489 30 residues pruned to eliminate duplicates Z: 7 10.440 1.775 0.919 0.534 1.000 0.500 CA 1.209 7 residues pruned to eliminate duplicates Z: 63 42.633 2.227 0.632 0.559 0.919 0.629 CB 1.531 63 residues pruned to eliminate duplicates Z: 62 42.653 2.212 0.585 0.569 0.951 0.590 CB 1.532 62 residues pruned to eliminate duplicates Z: 64 39.972 2.227 0.569 0.549 0.905 0.587 CB 1.518 64 residues pruned to eliminate duplicates Z: 66 41.986 2.176 0.633 0.562 0.923 0.477 CB 1.495 66 residues pruned to eliminate duplicates Z: 64 44.842 2.236 0.593 0.599 0.921 0.635 CB 1.568 64 residues pruned to eliminate duplicates Z: 62 43.595 2.273 0.548 0.573 0.951 0.590 CB 1.555 62 residues pruned to eliminate duplicates Z: 70 45.006 2.222 0.659 0.536 0.928 0.449 CB 1.530 69 residues pruned to eliminate duplicates Z: 6 4.518 1.927 0.446 0.402 0.600 0.400 CB 1.340 Z: 6 7.247 1.725 0.663 0.392 1.000 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 61 47.554 2.239 0.610 0.620 0.933 0.683 CB 1.629 67 residues pruned to eliminate duplicates Z: 36 21.191 2.144 0.465 0.423 0.857 0.371 CB 1.442 40 residues pruned to eliminate duplicates Z: 6 2.227 1.577 0.226 0.275 0.800 0.800 CA 0.831 Z: 7 4.871 1.429 0.713 0.321 0.833 0.500 CA 1.188 Z: 6 6.836 1.649 0.890 0.472 1.000 0.600 CB 1.008 Z: 71 40.313 2.194 0.572 0.513 0.929 0.586 CB 1.485 71 residues pruned to eliminate duplicates Z: 78 37.230 2.144 0.483 0.502 0.909 0.558 CB 1.465 93 residues pruned to eliminate duplicates Z: 23 42.182 2.229 0.724 0.901 1.000 0.818 CB 1.670 23 residues pruned to eliminate duplicates Z: 62 46.683 2.291 0.538 0.583 0.951 0.590 CB 1.646 60 residues pruned to eliminate duplicates Z: 22 37.689 2.211 0.638 0.911 1.000 0.905 CB 1.609 22 residues pruned to eliminate duplicates Z: 65 41.399 2.235 0.561 0.527 0.938 0.531 CB 1.541 65 residues pruned to eliminate duplicates Z: 76 39.960 2.169 0.527 0.495 0.920 0.467 CB 1.521 76 residues pruned to eliminate duplicates Z: 51 43.682 2.266 0.637 0.556 0.940 0.600 CB 1.677 50 residues pruned to eliminate duplicates Z: 6 5.524 1.814 0.531 0.348 0.800 0.400 N 1.311 Z: 10 4.992 1.459 0.477 0.701 0.556 0.111 O 1.158 6 residues pruned to eliminate duplicates Z: 9 3.774 1.808 0.346 0.470 0.375 0.125 CB 1.508 8 residues pruned to eliminate duplicates Z: 9 3.993 1.423 0.508 0.419 0.750 0.375 CA 0.954 Z: 6 4.056 1.533 0.717 0.279 1.000 0.200 CA 0.885 15 residues pruned to eliminate duplicates Z: 8 13.166 2.042 0.624 0.699 0.857 0.571 CA 1.460 8 residues pruned to eliminate duplicates Z: 9 8.406 1.781 0.933 0.461 0.750 0.500 CA 1.198 9 residues pruned to eliminate duplicates Z: 8 14.799 1.999 0.720 0.645 1.000 0.714 CA 1.421 8 residues pruned to eliminate duplicates Z: 8 16.246 2.054 0.583 0.734 1.000 0.857 CA 1.530 8 residues pruned to eliminate duplicates Z: 9 10.373 1.937 0.639 0.596 0.875 0.500 CB 1.205 9 residues pruned to eliminate duplicates Z: 9 13.995 1.921 0.599 0.692 1.000 0.750 CA 1.351 11 residues pruned to eliminate duplicates Z: 6 4.861 1.822 0.284 0.330 0.800 0.200 CA 1.400 6 residues pruned to eliminate duplicates Z: 43 16.932 1.895 0.387 0.370 0.810 0.500 CA 1.413 43 residues pruned to eliminate duplicates Z: 10 7.232 1.846 0.576 0.368 0.778 0.444 CB 1.226 10 residues pruned to eliminate duplicates Z: 35 18.729 1.920 0.539 0.370 0.853 0.618 CB 1.464 35 residues pruned to eliminate duplicates Z: 41 16.944 1.894 0.530 0.302 0.800 0.425 CB 1.442 41 residues pruned to eliminate duplicates Z: 7 4.634 1.890 0.210 0.335 0.667 0.333 CB 1.486 7 residues pruned to eliminate duplicates Z: 24 15.386 1.969 0.484 0.388 0.826 0.652 CA 1.498 24 residues pruned to eliminate duplicates Z: 7 8.768 1.653 0.680 0.541 1.000 1.000 CA 1.238 7 residues pruned to eliminate duplicates Z: 39 16.274 1.910 0.561 0.330 0.789 0.500 CB 1.351 39 residues pruned to eliminate duplicates Z: 26 12.214 1.885 0.583 0.296 0.800 0.560 CB 1.286 26 residues pruned to eliminate duplicates Z: 27 14.596 1.923 0.545 0.295 0.846 0.538 CB 1.432 28 residues pruned to eliminate duplicates Z: 21 13.992 1.989 0.291 0.393 0.900 0.650 CA 1.516 21 residues pruned to eliminate duplicates Z: 23 15.828 1.974 0.393 0.405 0.864 0.636 CA 1.570 23 residues pruned to eliminate duplicates Z: 20 15.504 1.996 0.757 0.382 0.842 0.684 CA 1.366 20 residues pruned to eliminate duplicates Z: 36 15.554 1.862 0.471 0.344 0.829 0.657 CA 1.373 36 residues pruned to eliminate duplicates Z: 34 18.123 1.964 0.461 0.365 0.848 0.515 CA 1.497 34 residues pruned to eliminate duplicates Z: 26 15.060 1.903 0.415 0.394 0.880 0.640 CA 1.422 26 residues pruned to eliminate duplicates Z: 24 16.112 1.932 0.455 0.411 0.870 0.652 CA 1.509 24 residues pruned to eliminate duplicates Z: 22 16.611 1.951 0.399 0.432 0.905 0.714 CB 1.575 22 residues pruned to eliminate duplicates Z: 34 14.260 1.945 0.381 0.346 0.758 0.576 CB 1.442 34 residues pruned to eliminate duplicates Z: 26 13.915 1.914 0.436 0.305 0.840 0.560 CA 1.497 26 residues pruned to eliminate duplicates Z: 27 13.869 1.879 0.504 0.327 0.885 0.577 CA 1.315 27 residues pruned to eliminate duplicates Z: 37 12.896 1.877 0.304 0.259 0.833 0.417 CB 1.388 37 residues pruned to eliminate duplicates Z: 39 36.460 2.153 0.682 0.591 0.921 0.605 CA 1.625 39 residues pruned to eliminate duplicates Z: 63 35.636 1.993 0.735 0.550 0.871 0.548 CA 1.430 63 residues pruned to eliminate duplicates Z: 65 34.125 2.023 0.656 0.529 0.906 0.453 CB 1.366 65 residues pruned to eliminate duplicates Z: 32 30.758 2.054 0.605 0.647 0.935 0.645 CB 1.562 32 residues pruned to eliminate duplicates Z: 40 31.755 2.106 0.764 0.566 0.821 0.590 CA 1.566 40 residues pruned to eliminate duplicates Z: 63 35.275 2.076 0.596 0.574 0.887 0.548 CA 1.419 63 residues pruned to eliminate duplicates Z: 38 37.427 2.146 0.815 0.611 0.919 0.622 CA 1.547 38 residues pruned to eliminate duplicates Z: 38 26.895 2.010 0.730 0.557 0.784 0.541 CB 1.534 38 residues pruned to eliminate duplicates Z: 43 36.340 2.094 0.731 0.607 0.905 0.548 CB 1.544 43 residues pruned to eliminate duplicates Z: 39 36.729 2.149 0.755 0.567 0.921 0.526 CA 1.608 39 residues pruned to eliminate duplicates Z: 62 40.262 2.056 0.775 0.544 0.885 0.525 CA 1.528 62 residues pruned to eliminate duplicates Z: 46 36.213 2.097 0.751 0.580 0.844 0.444 CB 1.612 46 residues pruned to eliminate duplicates Z: 61 42.545 2.083 0.804 0.567 0.900 0.467 CB 1.522 39 residues pruned to eliminate duplicates Z: 20 23.029 2.021 0.812 0.899 0.789 0.105 CB 1.306 20 residues pruned to eliminate duplicates Z: 64 43.541 2.037 0.721 0.637 0.921 0.524 CB 1.494 64 residues pruned to eliminate duplicates Z: 7 6.807 1.879 0.759 0.204 1.000 0.333 CB 1.194 7 residues pruned to eliminate duplicates Z: 38 29.943 2.083 0.681 0.628 0.811 0.459 CB 1.537 38 residues pruned to eliminate duplicates Z: 38 31.191 2.060 0.614 0.640 0.919 0.541 CB 1.471 38 residues pruned to eliminate duplicates Z: 50 33.551 2.027 0.564 0.653 0.878 0.469 CB 1.494 50 residues pruned to eliminate duplicates Z: 19 15.165 1.939 0.765 0.622 0.722 0.389 CB 1.289 19 residues pruned to eliminate duplicates Z: 24 22.137 2.014 0.769 0.580 0.913 0.652 CA 1.314 24 residues pruned to eliminate duplicates Z: 13 13.454 1.840 0.599 0.781 0.917 0.583 CA 1.124 Z: 12 20.687 1.836 0.825 0.888 1.000 0.818 CA 1.341 25 residues pruned to eliminate duplicates Z: 64 39.567 2.025 0.753 0.586 0.905 0.556 CB 1.430 64 residues pruned to eliminate duplicates Z: 56 43.897 2.024 0.898 0.672 0.909 0.491 CB 1.446 56 residues pruned to eliminate duplicates Z: 49 36.660 2.005 0.701 0.667 0.938 0.500 CB 1.418 37 residues pruned to eliminate duplicates Z: 14 16.150 1.779 0.808 0.796 0.923 0.385 CA 1.165 14 residues pruned to eliminate duplicates Z: 66 42.412 2.021 0.880 0.589 0.892 0.585 CB 1.425 66 residues pruned to eliminate duplicates Z: 54 42.406 2.077 0.768 0.655 0.906 0.547 CB 1.517 52 residues pruned to eliminate duplicates Z: 15 18.474 1.881 0.759 0.605 1.000 0.286 CA 1.350 15 residues pruned to eliminate duplicates Z: 37 25.073 2.039 0.700 0.509 0.861 0.500 CB 1.388 23 residues pruned to eliminate duplicates Z: 7 6.990 1.696 0.734 0.398 1.000 0.167 CA 1.080 7 residues pruned to eliminate duplicates Z: 15 11.427 2.104 0.594 0.354 0.786 0.500 CA 1.356 15 residues pruned to eliminate duplicates Z: 14 9.764 2.128 0.704 0.352 0.692 0.462 CA 1.265 14 residues pruned to eliminate duplicates Z: 15 12.348 2.002 0.901 0.309 0.786 0.429 CA 1.364 15 residues pruned to eliminate duplicates Z: 51 31.277 2.034 0.542 0.557 0.900 0.740 CB 1.483 51 residues pruned to eliminate duplicates Z: 46 30.127 2.087 0.523 0.553 0.867 0.644 CA 1.547 46 residues pruned to eliminate duplicates Z: 71 47.493 2.027 0.792 0.636 0.943 0.529 CB 1.459 71 residues pruned to eliminate duplicates Z: 29 16.301 1.846 0.695 0.431 0.893 0.464 CA 1.185 29 residues pruned to eliminate duplicates Z: 42 31.020 2.108 0.551 0.579 0.878 0.732 CA 1.564 42 residues pruned to eliminate duplicates Z: 33 28.301 2.088 0.463 0.666 0.906 0.781 CA 1.549 33 residues pruned to eliminate duplicates Z: 31 25.830 2.091 0.327 0.676 0.933 0.800 CB 1.548 31 residues pruned to eliminate duplicates Z: 27 28.102 2.139 0.504 0.657 0.923 0.808 CA 1.603 27 residues pruned to eliminate duplicates Z: 31 26.909 2.002 0.421 0.664 0.967 0.733 CA 1.535 31 residues pruned to eliminate duplicates Z: 53 30.218 2.050 0.433 0.569 0.904 0.615 CA 1.476 13 residues pruned to eliminate duplicates Z: 6 2.431 1.508 0.397 0.309 0.800 0.600 CA 0.798 6 residues pruned to eliminate duplicates Z: 33 28.298 2.085 0.550 0.629 0.875 0.750 CA 1.568 33 residues pruned to eliminate duplicates Z: 30 25.092 2.044 0.360 0.654 0.897 0.793 CB 1.621 30 residues pruned to eliminate duplicates Z: 15 10.707 1.821 0.304 0.369 0.929 0.500 CA 1.492 15 residues pruned to eliminate duplicates Z: 31 13.554 1.896 0.431 0.421 0.800 0.533 CB 1.238 31 residues pruned to eliminate duplicates Z: 17 10.340 1.716 0.353 0.354 0.938 0.375 CA 1.390 17 residues pruned to eliminate duplicates Z: 15 13.606 1.845 0.702 0.441 0.857 0.500 CA 1.436 15 residues pruned to eliminate duplicates Z: 18 13.838 1.797 0.599 0.504 0.882 0.412 CA 1.318 18 residues pruned to eliminate duplicates Z: 17 11.354 1.872 0.202 0.439 0.875 0.562 N 1.536 17 residues pruned to eliminate duplicates Z: 17 10.879 1.806 0.323 0.498 0.875 0.562 N 1.304 17 residues pruned to eliminate duplicates Z: 15 12.599 1.877 0.341 0.481 0.929 0.643 CA 1.468 15 residues pruned to eliminate duplicates Z: 22 11.757 1.825 0.497 0.375 0.857 0.667 CB 1.252 22 residues pruned to eliminate duplicates Z: 20 9.922 1.784 0.822 0.313 0.737 0.526 CA 1.169 20 residues pruned to eliminate duplicates Z: 10 6.569 1.792 0.687 0.351 0.778 0.556 CB 1.094 10 residues pruned to eliminate duplicates Z: 29 14.213 1.842 0.442 0.396 0.893 0.643 CA 1.265 29 residues pruned to eliminate duplicates Z: 30 11.468 1.844 0.443 0.327 0.793 0.517 CB 1.221 30 residues pruned to eliminate duplicates Z: 30 11.183 1.850 0.399 0.334 0.793 0.517 CB 1.212 30 residues pruned to eliminate duplicates Z: 15 7.104 1.880 0.507 0.361 0.714 0.643 CA 1.090 15 residues pruned to eliminate duplicates Z: 14 6.501 1.735 0.595 0.376 0.769 0.615 CB 0.967 14 residues pruned to eliminate duplicates Z: 27 15.665 1.912 0.509 0.433 0.885 0.500 CA 1.290 27 residues pruned to eliminate duplicates Z: 30 15.737 1.875 0.448 0.460 0.862 0.517 CA 1.300 30 residues pruned to eliminate duplicates Z: 30 12.150 1.800 0.387 0.355 0.862 0.483 CA 1.226 30 residues pruned to eliminate duplicates Z: 29 13.038 1.914 0.338 0.366 0.857 0.607 CB 1.296 29 residues pruned to eliminate duplicates Z: 25 12.569 1.864 0.504 0.360 0.917 0.667 CA 1.160 25 residues pruned to eliminate duplicates Z: 30 12.521 1.991 0.258 0.402 0.793 0.552 CA 1.298 30 residues pruned to eliminate duplicates Z: 48 19.951 1.972 0.407 0.386 0.851 0.511 CA 1.390 48 residues pruned to eliminate duplicates Z: 30 11.595 1.930 0.227 0.410 0.828 0.483 CA 1.207 30 residues pruned to eliminate duplicates Z: 28 13.895 2.011 0.260 0.429 0.852 0.519 CA 1.334 29 residues pruned to eliminate duplicates Z: 6 3.271 1.463 0.248 0.350 1.000 0.400 N 0.943 6 residues pruned to eliminate duplicates Z: 21 14.499 2.013 0.463 0.383 0.850 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 6 2.196 1.659 0.233 0.111 0.800 0.400 CA 0.982 6 residues pruned to eliminate duplicates Z: 14 11.696 2.065 0.505 0.497 0.769 0.769 CB 1.361 14 residues pruned to eliminate duplicates Z: 20 11.497 2.008 0.537 0.424 0.789 0.474 CB 1.171 20 residues pruned to eliminate duplicates Z: 30 16.188 1.943 0.392 0.444 0.897 0.517 CA 1.313 30 residues pruned to eliminate duplicates Z: 28 13.914 1.927 0.330 0.470 0.889 0.593 CB 1.212 28 residues pruned to eliminate duplicates Z: 49 17.233 1.934 0.366 0.351 0.792 0.479 CA 1.397 49 residues pruned to eliminate duplicates Z: 23 12.409 1.921 0.406 0.355 0.818 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 30 14.347 1.918 0.507 0.391 0.759 0.483 CA 1.364 30 residues pruned to eliminate duplicates Z: 22 9.130 1.886 0.405 0.383 0.857 0.524 CB 0.993 22 residues pruned to eliminate duplicates Z: 23 14.220 1.975 0.422 0.414 0.864 0.500 CB 1.367 23 residues pruned to eliminate duplicates Z: 22 11.292 1.967 0.355 0.368 0.762 0.619 CB 1.397 22 residues pruned to eliminate duplicates Z: 30 13.316 1.912 0.259 0.408 0.828 0.483 CA 1.367 30 residues pruned to eliminate duplicates Z: 28 10.796 1.815 0.198 0.436 0.926 0.370 CB 1.103 28 residues pruned to eliminate duplicates Z: 27 9.988 1.940 0.144 0.303 0.808 0.385 CA 1.361 27 residues pruned to eliminate duplicates 551 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 10 D: 6 E: 8 F: 9 G: 12 H: 8 I: 14 J: 9 K: 14 L: 60 M: 51 N: 9 O: 33 P: 46 Q: 9 R: 21 S: 61 T: 9 U: 33 V: 62 W: 48 X: 6 CC for partial structure against native data = 20.28 % ------------------------------------------------------------------------------ Global autotracing cycle 18 = 0.300, Contrast = 0.395, Connect. = 0.680 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.701 for dens.mod. cycle 2 = 0.300, Contrast = 0.525, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.533, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.541, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.546, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.551, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.556, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.557, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6720 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1251 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 15.777 2.225 0.680 0.293 0.905 0.619 CA 1.283 B: 10 22.800 2.416 0.474 0.862 1.000 0.889 CB 1.566 C: 18 27.670 2.264 0.384 0.922 1.000 1.000 CA 1.506 D: 14 24.796 2.263 0.595 0.890 1.000 0.846 CB 1.370 10 residues pruned to eliminate duplicates E: 21 37.125 2.244 0.581 0.877 1.000 0.850 CA 1.700 18 residues pruned to eliminate duplicates F: 23 33.145 2.209 0.504 0.874 0.955 0.773 CB 1.622 23 residues pruned to eliminate duplicates G: 13 25.405 2.293 0.609 0.846 0.917 0.750 CB 1.611 14 residues pruned to eliminate duplicates H: 10 15.007 1.784 0.650 0.860 0.889 0.778 CB 1.406 I: 6 11.679 2.026 0.315 0.791 1.000 1.000 CA 1.519 J: 23 14.791 2.085 0.815 0.212 0.773 0.364 CA 1.514 23 residues pruned to eliminate duplicates K: 21 43.299 2.287 0.729 0.901 1.000 0.700 CB 1.748 21 residues pruned to eliminate duplicates L: 22 39.499 2.220 0.767 0.894 0.952 0.476 CB 1.656 22 residues pruned to eliminate duplicates M: 21 34.924 2.283 0.451 0.917 0.950 0.800 CA 1.751 21 residues pruned to eliminate duplicates N: 11 11.970 1.865 0.689 0.580 0.900 0.800 CA 1.237 O: 62 45.220 2.240 0.693 0.563 0.918 0.492 CB 1.564 31 residues pruned to eliminate duplicates P: 21 7.607 1.871 0.396 0.305 0.700 0.500 CB 1.156 Q: 12 29.334 2.282 0.516 0.901 1.000 0.818 CA 1.826 12 residues pruned to eliminate duplicates R: 22 21.349 1.924 0.237 0.872 0.905 0.810 CB 1.577 S: 19 14.146 1.949 0.496 0.458 0.889 0.500 CB 1.343 21 residues pruned to eliminate duplicates T: 21 43.294 2.284 0.757 0.897 1.000 0.650 CB 1.726 21 residues pruned to eliminate duplicates U: 22 34.145 2.174 0.710 0.848 0.952 0.762 CA 1.561 22 residues pruned to eliminate duplicates V: 7 7.171 2.075 -0.077 0.665 1.000 0.500 CB 1.312 W: 16 31.096 2.154 0.668 0.929 1.000 0.800 CB 1.563 17 residues pruned to eliminate duplicates X: 13 11.891 2.037 0.816 0.434 0.833 0.500 CA 1.191 Y: 22 40.084 2.170 0.753 0.914 1.000 0.857 CA 1.626 22 residues pruned to eliminate duplicates Z: 13 23.933 2.294 0.469 0.860 1.000 0.833 CA 1.507 13 residues pruned to eliminate duplicates Z: 30 12.575 1.887 0.341 0.410 0.793 0.517 CB 1.278 Z: 23 21.976 2.138 0.521 0.505 0.955 0.545 CA 1.501 Z: 22 42.287 2.269 0.712 0.920 1.000 0.810 CB 1.673 22 residues pruned to eliminate duplicates Z: 32 18.592 1.919 0.494 0.619 0.839 0.645 CB 1.241 32 residues pruned to eliminate duplicates Z: 25 13.409 1.932 0.382 0.341 0.875 0.625 CB 1.392 24 residues pruned to eliminate duplicates Z: 21 37.660 2.271 0.755 0.890 0.900 0.550 CB 1.689 21 residues pruned to eliminate duplicates Z: 18 20.218 2.061 0.285 0.911 1.000 0.882 CB 1.312 18 residues pruned to eliminate duplicates Z: 6 6.149 1.722 0.293 0.727 0.800 0.800 N 1.258 6 residues pruned to eliminate duplicates Z: 19 12.857 1.928 0.444 0.473 0.833 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 12 15.731 1.897 0.817 0.612 1.000 0.636 CA 1.238 11 residues pruned to eliminate duplicates Z: 17 9.920 1.857 0.303 0.493 0.875 0.750 CA 1.181 17 residues pruned to eliminate duplicates Z: 56 31.002 2.053 0.582 0.534 0.836 0.618 CA 1.487 39 residues pruned to eliminate duplicates Z: 20 37.147 2.341 0.393 0.936 1.000 0.895 CA 1.820 20 residues pruned to eliminate duplicates Z: 9 13.821 2.046 0.485 0.534 0.875 0.750 CA 1.777 9 residues pruned to eliminate duplicates Z: 30 17.396 2.010 0.668 0.412 0.828 0.483 CA 1.277 28 residues pruned to eliminate duplicates Z: 21 37.886 2.323 0.542 0.894 1.000 0.800 CB 1.696 21 residues pruned to eliminate duplicates Z: 9 6.257 2.095 0.136 0.463 0.625 0.375 CB 1.544 Z: 13 6.169 1.616 0.538 0.323 0.833 0.500 CB 1.045 Z: 24 18.004 1.955 0.717 0.517 0.826 0.435 CB 1.331 Z: 19 9.579 2.172 0.014 0.349 0.722 0.389 CB 1.672 9 residues pruned to eliminate duplicates Z: 28 19.862 2.175 0.624 0.400 0.778 0.333 CB 1.546 19 residues pruned to eliminate duplicates Z: 12 8.196 2.072 0.180 0.349 0.818 0.545 CA 1.455 12 residues pruned to eliminate duplicates Z: 21 15.485 1.870 0.349 0.484 0.900 0.600 CA 1.550 Z: 11 15.310 1.907 0.280 0.896 1.000 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 18 14.924 1.857 0.629 0.398 0.882 0.647 CA 1.511 Z: 11 8.267 1.654 0.532 0.529 0.900 0.400 CB 1.114 11 residues pruned to eliminate duplicates Z: 8 8.804 1.897 0.418 0.695 0.857 0.571 CB 1.208 6 residues pruned to eliminate duplicates Z: 20 21.259 2.146 0.537 0.510 0.947 0.421 CB 1.545 20 residues pruned to eliminate duplicates Z: 39 32.195 2.138 0.722 0.593 0.842 0.711 CA 1.541 39 residues pruned to eliminate duplicates Z: 13 10.524 1.904 0.512 0.460 0.833 0.750 CA 1.319 Z: 12 19.797 1.969 0.719 0.881 1.000 0.455 CB 1.277 12 residues pruned to eliminate duplicates Z: 29 12.537 1.917 0.297 0.342 0.857 0.571 CB 1.320 Z: 9 10.983 1.869 0.497 0.611 1.000 0.625 CA 1.249 Z: 9 4.701 1.881 0.380 0.291 0.625 0.375 CA 1.295 9 residues pruned to eliminate duplicates Z: 7 4.870 1.595 0.103 0.855 1.000 0.833 CB 0.834 Z: 10 7.634 1.729 0.250 0.785 0.667 0.444 CA 1.374 10 residues pruned to eliminate duplicates Z: 18 21.467 2.016 0.687 0.837 0.882 0.471 CB 1.297 18 residues pruned to eliminate duplicates Z: 22 25.321 1.990 0.584 0.856 0.905 0.667 CB 1.429 22 residues pruned to eliminate duplicates Z: 33 25.918 2.084 0.706 0.501 0.938 0.500 CB 1.374 33 residues pruned to eliminate duplicates Z: 30 15.893 1.931 0.489 0.297 0.897 0.517 CA 1.438 20 residues pruned to eliminate duplicates Z: 34 28.115 2.095 0.441 0.614 0.909 0.758 CA 1.602 34 residues pruned to eliminate duplicates Z: 30 18.860 2.096 0.499 0.448 0.897 0.552 CB 1.312 22 residues pruned to eliminate duplicates Z: 19 26.127 2.077 0.616 0.921 1.000 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 30 24.361 1.911 0.524 0.652 0.966 0.759 CA 1.396 18 residues pruned to eliminate duplicates Z: 30 18.095 2.010 0.562 0.474 0.862 0.586 CB 1.275 24 residues pruned to eliminate duplicates Z: 27 16.165 1.795 0.514 0.488 0.846 0.577 CB 1.395 24 residues pruned to eliminate duplicates Z: 25 15.601 1.943 0.421 0.312 0.958 0.625 CB 1.483 25 residues pruned to eliminate duplicates Z: 6 5.395 2.014 -0.047 0.491 0.800 0.800 CB 1.585 Z: 19 10.410 1.768 0.294 0.402 0.889 0.444 CB 1.338 19 residues pruned to eliminate duplicates Z: 11 9.579 1.866 0.450 0.631 0.800 0.600 CA 1.237 11 residues pruned to eliminate duplicates Z: 33 24.448 2.064 0.412 0.628 0.875 0.656 CB 1.503 33 residues pruned to eliminate duplicates Z: 22 20.168 2.089 0.625 0.546 0.905 0.619 CB 1.370 23 residues pruned to eliminate duplicates Z: 7 5.783 2.006 0.294 0.425 0.833 0.667 CB 1.181 8 residues pruned to eliminate duplicates Z: 7 8.844 1.919 0.312 0.635 0.833 0.667 C 1.517 7 residues pruned to eliminate duplicates Z: 22 20.803 2.019 0.294 0.791 0.857 0.714 CB 1.571 22 residues pruned to eliminate duplicates Z: 17 24.074 2.110 0.331 0.923 1.000 0.750 CB 1.506 17 residues pruned to eliminate duplicates Z: 10 5.873 1.818 0.315 0.424 1.000 0.667 CB 0.886 10 residues pruned to eliminate duplicates Z: 11 17.826 1.923 0.771 0.908 0.900 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 15 29.385 2.260 0.717 0.908 1.000 0.786 CB 1.437 15 residues pruned to eliminate duplicates Z: 8 10.221 1.917 0.190 0.611 1.000 0.571 CA 1.524 8 residues pruned to eliminate duplicates Z: 15 26.712 2.206 0.702 0.899 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 28 14.530 1.966 0.406 0.348 0.852 0.481 CA 1.401 6 residues pruned to eliminate duplicates Z: 9 14.037 1.770 0.367 0.807 1.000 0.625 C 1.569 9 residues pruned to eliminate duplicates Z: 11 7.741 1.603 0.314 0.645 0.800 0.400 CA 1.269 11 residues pruned to eliminate duplicates Z: 21 18.938 1.969 0.143 0.843 0.950 0.750 CB 1.474 22 residues pruned to eliminate duplicates Z: 9 15.254 2.060 0.765 0.694 0.875 0.875 CA 1.420 9 residues pruned to eliminate duplicates Z: 7 6.546 2.036 -0.161 0.582 1.000 0.667 CA 1.447 7 residues pruned to eliminate duplicates Z: 52 38.590 2.212 0.572 0.548 0.902 0.608 CB 1.645 38 residues pruned to eliminate duplicates Z: 13 14.481 1.880 0.629 0.601 0.833 0.667 CB 1.488 12 residues pruned to eliminate duplicates Z: 25 22.606 2.095 0.388 0.645 0.917 0.667 CB 1.512 25 residues pruned to eliminate duplicates Z: 14 18.295 2.033 0.458 0.587 1.000 0.769 CA 1.575 14 residues pruned to eliminate duplicates Z: 23 38.567 2.190 0.823 0.867 0.955 0.591 CB 1.578 23 residues pruned to eliminate duplicates Z: 17 14.414 2.119 0.289 0.397 0.875 0.500 N 1.682 19 residues pruned to eliminate duplicates Z: 23 18.371 2.189 0.681 0.362 0.864 0.682 CA 1.429 19 residues pruned to eliminate duplicates Z: 23 16.426 2.033 0.321 0.433 0.909 0.455 CA 1.537 Z: 49 35.698 2.170 0.443 0.621 0.917 0.688 CA 1.601 27 residues pruned to eliminate duplicates Z: 14 13.327 1.954 0.407 0.523 0.923 0.538 CB 1.423 11 residues pruned to eliminate duplicates Z: 9 10.743 1.700 0.487 0.717 0.875 0.500 O 1.411 Z: 10 12.906 2.078 0.445 0.509 0.889 0.556 N 1.598 10 residues pruned to eliminate duplicates Z: 9 14.877 1.946 0.565 0.855 1.000 0.875 CB 1.275 11 residues pruned to eliminate duplicates Z: 52 40.612 2.090 0.578 0.639 0.922 0.627 CA 1.642 67 residues pruned to eliminate duplicates Z: 7 5.181 1.920 0.616 0.401 0.667 0.667 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 13.463 1.942 0.377 0.897 1.000 1.000 CB 1.274 9 residues pruned to eliminate duplicates Z: 16 12.330 1.963 0.950 0.368 0.733 0.400 CA 1.307 16 residues pruned to eliminate duplicates Z: 32 16.328 1.727 0.623 0.476 0.806 0.484 CB 1.329 18 residues pruned to eliminate duplicates Z: 10 5.778 1.706 -0.007 0.833 0.778 0.556 CA 1.097 8 residues pruned to eliminate duplicates Z: 17 20.275 2.049 0.151 0.927 1.000 1.000 CB 1.506 17 residues pruned to eliminate duplicates Z: 8 5.118 1.702 -0.320 0.718 1.000 0.571 CB 1.373 Z: 7 9.082 1.795 0.008 0.798 1.000 0.500 CA 1.579 8 residues pruned to eliminate duplicates Z: 12 4.973 1.480 0.361 0.268 0.818 0.364 CA 1.185 12 residues pruned to eliminate duplicates Z: 10 10.956 1.849 0.301 0.824 0.889 0.667 CB 1.290 9 residues pruned to eliminate duplicates Z: 54 39.759 2.156 0.671 0.545 0.925 0.623 CA 1.570 54 residues pruned to eliminate duplicates Z: 7 7.182 1.622 0.063 0.891 1.000 0.833 CA 1.223 6 residues pruned to eliminate duplicates Z: 20 29.188 2.002 0.738 0.896 1.000 0.421 CB 1.378 20 residues pruned to eliminate duplicates Z: 10 8.358 1.681 0.171 0.704 0.889 0.444 CA 1.323 9 residues pruned to eliminate duplicates Z: 29 13.287 1.963 0.278 0.420 0.893 0.643 CA 1.219 30 residues pruned to eliminate duplicates Z: 6 5.401 1.823 -0.099 0.450 1.000 0.600 CB 1.549 7 residues pruned to eliminate duplicates Z: 51 40.037 2.231 0.545 0.624 0.940 0.720 CB 1.555 48 residues pruned to eliminate duplicates Z: 7 12.909 2.067 0.309 0.758 1.000 0.833 CA 1.548 9 residues pruned to eliminate duplicates Z: 8 13.324 2.054 0.655 0.877 1.000 0.714 CB 1.075 9 residues pruned to eliminate duplicates Z: 20 9.725 1.681 0.476 0.461 0.895 0.579 CB 1.046 7 residues pruned to eliminate duplicates Z: 7 8.836 1.792 0.579 0.699 0.833 0.167 CA 1.276 7 residues pruned to eliminate duplicates Z: 11 11.688 1.763 0.530 0.534 0.900 0.400 CA 1.471 11 residues pruned to eliminate duplicates Z: 13 12.118 1.801 0.655 0.535 0.917 0.833 CB 1.237 9 residues pruned to eliminate duplicates Z: 51 34.018 2.099 0.504 0.569 0.920 0.680 CB 1.550 43 residues pruned to eliminate duplicates Z: 11 11.274 2.037 0.379 0.585 0.900 0.400 CB 1.300 Z: 8 8.346 1.735 0.188 0.673 1.000 0.857 CB 1.305 8 residues pruned to eliminate duplicates Z: 21 29.143 2.003 0.545 0.912 1.000 0.750 CB 1.490 21 residues pruned to eliminate duplicates Z: 25 14.382 1.972 0.280 0.329 0.958 0.583 CB 1.463 25 residues pruned to eliminate duplicates Z: 6 3.928 1.512 0.200 0.787 0.800 0.400 N 0.940 6 residues pruned to eliminate duplicates Z: 7 10.712 2.155 0.406 0.816 1.000 0.333 CB 1.097 7 residues pruned to eliminate duplicates Z: 20 40.226 2.323 0.675 0.894 1.000 0.316 CB 1.701 20 residues pruned to eliminate duplicates Z: 7 17.072 1.902 1.273 0.877 0.833 0.500 CB 1.405 7 residues pruned to eliminate duplicates Z: 7 4.354 1.621 0.077 0.529 0.833 0.667 CB 1.187 Z: 14 8.923 1.969 0.403 0.466 0.692 0.462 CB 1.340 14 residues pruned to eliminate duplicates Z: 31 19.649 2.186 0.583 0.419 0.867 0.633 CB 1.302 31 residues pruned to eliminate duplicates Z: 21 10.002 1.955 0.351 0.324 0.750 0.350 CB 1.369 21 residues pruned to eliminate duplicates Z: 22 36.479 2.177 0.775 0.919 0.905 0.429 CB 1.604 22 residues pruned to eliminate duplicates Z: 37 18.380 1.967 0.494 0.364 0.833 0.472 CB 1.448 28 residues pruned to eliminate duplicates Z: 29 18.676 2.006 0.408 0.615 0.893 0.714 CB 1.254 29 residues pruned to eliminate duplicates Z: 17 8.368 1.899 0.423 0.383 0.812 0.500 CB 1.080 15 residues pruned to eliminate duplicates Z: 12 15.541 1.858 0.422 0.899 1.000 0.818 CB 1.268 12 residues pruned to eliminate duplicates Z: 12 10.398 1.766 0.424 0.530 0.818 0.636 CB 1.479 12 residues pruned to eliminate duplicates Z: 9 4.644 1.731 0.197 0.418 0.875 0.750 CB 0.987 9 residues pruned to eliminate duplicates Z: 63 45.258 2.228 0.586 0.573 0.935 0.629 CB 1.622 63 residues pruned to eliminate duplicates Z: 21 47.476 2.305 0.857 0.905 1.000 0.700 CB 1.765 21 residues pruned to eliminate duplicates Z: 28 13.852 1.944 0.209 0.321 0.926 0.556 CB 1.493 28 residues pruned to eliminate duplicates Z: 63 44.439 2.242 0.606 0.578 0.935 0.565 CB 1.554 63 residues pruned to eliminate duplicates Z: 36 37.045 2.218 0.558 0.654 0.971 0.657 CB 1.618 33 residues pruned to eliminate duplicates Z: 27 12.716 1.995 0.347 0.409 0.846 0.462 CA 1.206 27 residues pruned to eliminate duplicates Z: 19 21.084 1.713 0.471 0.894 1.000 0.667 CA 1.415 Z: 13 13.998 1.769 0.667 0.842 0.750 0.417 CB 1.361 13 residues pruned to eliminate duplicates Z: 16 22.652 2.132 0.437 0.887 0.933 0.733 CB 1.474 16 residues pruned to eliminate duplicates Z: 12 15.309 1.882 0.674 0.611 0.909 0.727 CB 1.451 13 residues pruned to eliminate duplicates Z: 10 10.746 1.755 0.608 0.618 0.889 0.667 CB 1.277 8 residues pruned to eliminate duplicates Z: 14 13.471 1.868 0.700 0.889 0.769 0.385 CB 1.101 14 residues pruned to eliminate duplicates Z: 11 9.198 1.997 0.186 0.568 0.900 0.900 CA 1.277 11 residues pruned to eliminate duplicates Z: 7 16.034 2.290 0.411 0.705 1.000 0.667 CA 1.682 7 residues pruned to eliminate duplicates Z: 37 18.748 1.895 0.365 0.421 0.861 0.472 CA 1.523 37 residues pruned to eliminate duplicates Z: 8 8.252 1.692 0.662 0.436 0.857 0.714 CB 1.382 Z: 14 6.465 1.797 0.382 0.402 0.615 0.462 CB 1.301 14 residues pruned to eliminate duplicates Z: 7 12.191 1.987 0.328 0.799 1.000 1.000 CA 1.452 8 residues pruned to eliminate duplicates Z: 25 15.093 1.947 0.387 0.327 0.917 0.375 CB 1.505 25 residues pruned to eliminate duplicates Z: 21 14.117 1.972 0.360 0.374 0.900 0.650 CA 1.496 21 residues pruned to eliminate duplicates Z: 8 17.112 2.116 0.750 0.770 1.000 0.857 CA 1.374 8 residues pruned to eliminate duplicates Z: 12 12.505 1.949 0.522 0.655 0.909 0.727 CB 1.211 11 residues pruned to eliminate duplicates Z: 15 17.322 1.744 0.429 0.923 1.000 0.857 CA 1.306 14 residues pruned to eliminate duplicates Z: 7 13.901 1.769 0.629 0.778 1.000 0.833 CB 1.542 7 residues pruned to eliminate duplicates Z: 15 10.957 1.745 0.391 0.552 0.857 0.571 CA 1.337 15 residues pruned to eliminate duplicates Z: 20 13.231 2.002 0.805 0.327 0.737 0.421 CA 1.378 20 residues pruned to eliminate duplicates Z: 10 3.259 1.714 0.355 0.414 0.667 0.444 CB 0.768 Z: 17 8.503 1.880 0.276 0.379 0.938 0.688 CB 1.075 17 residues pruned to eliminate duplicates Z: 20 12.969 1.913 0.331 0.315 1.000 0.421 CB 1.433 20 residues pruned to eliminate duplicates Z: 17 25.450 2.027 0.487 0.917 1.000 0.812 CB 1.489 17 residues pruned to eliminate duplicates Z: 40 24.035 2.122 0.619 0.398 0.846 0.436 CB 1.474 40 residues pruned to eliminate duplicates Z: 29 14.037 2.016 0.199 0.332 0.857 0.393 CB 1.540 28 residues pruned to eliminate duplicates Z: 9 3.760 1.706 0.274 0.220 0.625 0.375 CA 1.359 Z: 22 39.252 2.274 0.763 0.889 0.952 0.524 CB 1.615 22 residues pruned to eliminate duplicates Z: 33 28.677 2.150 0.361 0.637 0.938 0.750 CA 1.626 33 residues pruned to eliminate duplicates Z: 12 17.837 2.166 0.837 0.563 0.909 0.818 CA 1.399 12 residues pruned to eliminate duplicates Z: 48 21.885 2.029 0.479 0.410 0.894 0.489 CB 1.308 50 residues pruned to eliminate duplicates Z: 11 14.189 2.113 0.375 0.618 1.000 0.900 CB 1.381 11 residues pruned to eliminate duplicates Z: 24 17.787 2.085 0.605 0.477 0.826 0.565 CA 1.373 24 residues pruned to eliminate duplicates Z: 8 13.261 1.930 0.520 0.561 1.000 0.857 CA 1.610 8 residues pruned to eliminate duplicates Z: 9 8.005 1.868 0.322 0.532 1.000 0.500 CB 1.110 Z: 13 13.221 2.055 0.758 0.387 0.833 0.583 CA 1.430 13 residues pruned to eliminate duplicates Z: 7 2.087 1.749 -0.074 0.467 0.500 0.167 CA 1.089 Z: 17 11.266 1.858 0.396 0.398 0.812 0.438 CA 1.488 17 residues pruned to eliminate duplicates Z: 12 8.353 1.804 0.409 0.474 0.727 0.545 CA 1.399 12 residues pruned to eliminate duplicates Z: 8 10.726 1.831 0.822 0.632 1.000 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 21 12.681 1.968 0.279 0.419 0.900 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 12 9.219 1.678 0.232 0.570 0.909 0.455 N 1.383 12 residues pruned to eliminate duplicates Z: 17 21.340 2.032 0.607 0.891 0.875 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 13 8.238 1.715 0.434 0.427 0.833 0.500 CB 1.252 13 residues pruned to eliminate duplicates Z: 28 19.212 2.014 0.449 0.483 0.889 0.593 CB 1.450 28 residues pruned to eliminate duplicates Z: 21 14.847 2.024 0.475 0.422 0.800 0.700 CA 1.507 21 residues pruned to eliminate duplicates Z: 38 23.960 2.118 0.583 0.397 0.892 0.568 CB 1.469 52 residues pruned to eliminate duplicates Z: 7 7.192 1.833 0.189 0.641 0.833 0.667 N 1.417 Z: 16 10.302 1.782 0.340 0.390 0.933 0.467 CB 1.341 16 residues pruned to eliminate duplicates Z: 8 8.099 1.779 -0.044 0.736 1.000 0.571 CA 1.456 8 residues pruned to eliminate duplicates Z: 18 10.219 1.945 0.067 0.419 0.882 0.353 CB 1.472 18 residues pruned to eliminate duplicates Z: 12 17.050 1.936 0.496 0.876 0.909 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 16 10.198 1.677 0.517 0.456 0.867 0.467 CB 1.250 8 residues pruned to eliminate duplicates Z: 21 18.908 2.070 0.480 0.474 0.950 0.550 CB 1.492 21 residues pruned to eliminate duplicates Z: 14 12.341 2.008 0.408 0.352 0.923 0.615 CB 1.540 14 residues pruned to eliminate duplicates Z: 14 5.938 1.815 0.387 0.390 0.769 0.538 CB 0.956 14 residues pruned to eliminate duplicates Z: 8 4.944 1.991 -0.054 0.482 0.714 0.429 CA 1.415 8 residues pruned to eliminate duplicates Z: 6 3.566 1.507 0.090 0.629 0.800 0.800 CB 1.075 Z: 7 12.655 2.048 0.730 0.836 1.000 1.000 CA 1.091 Z: 19 14.880 2.017 0.555 0.377 0.889 0.389 CA 1.435 19 residues pruned to eliminate duplicates Z: 24 14.656 2.016 0.379 0.397 0.870 0.565 CA 1.408 24 residues pruned to eliminate duplicates Z: 20 14.881 1.712 0.634 0.627 0.789 0.474 CA 1.372 20 residues pruned to eliminate duplicates Z: 12 4.073 1.674 0.102 0.224 0.818 0.273 CB 1.123 9 residues pruned to eliminate duplicates Z: 9 12.584 1.912 0.502 0.615 0.875 0.750 C 1.588 9 residues pruned to eliminate duplicates Z: 19 9.932 1.802 0.267 0.451 0.833 0.389 CB 1.294 18 residues pruned to eliminate duplicates Z: 6 4.051 1.684 0.824 0.402 0.800 0.800 CB 0.817 Z: 10 11.739 1.794 0.339 0.724 1.000 0.556 CB 1.331 Z: 11 14.864 1.820 0.697 0.748 0.900 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 20 39.919 2.347 0.659 0.920 1.000 0.737 CB 1.656 20 residues pruned to eliminate duplicates Z: 10 8.729 1.681 0.370 0.864 0.889 0.556 CA 1.043 10 residues pruned to eliminate duplicates Z: 23 40.346 2.139 0.879 0.858 0.955 0.455 CA 1.651 23 residues pruned to eliminate duplicates Z: 7 7.427 1.813 0.421 0.893 1.000 1.000 CA 0.845 7 residues pruned to eliminate duplicates Z: 8 3.267 1.596 -0.156 0.529 0.857 0.571 CB 1.039 Z: 8 7.183 1.716 0.694 0.605 0.857 0.571 CB 0.987 8 residues pruned to eliminate duplicates Z: 12 14.836 1.888 0.573 0.589 0.909 0.727 CA 1.522 12 residues pruned to eliminate duplicates Z: 6 2.642 1.792 0.061 0.394 0.800 0.600 CB 0.869 Z: 6 8.788 1.967 0.427 0.642 1.000 1.000 CB 1.226 6 residues pruned to eliminate duplicates Z: 15 13.613 1.856 0.364 0.513 0.929 0.429 CA 1.529 15 residues pruned to eliminate duplicates Z: 20 24.633 2.025 0.367 0.920 0.947 0.895 CB 1.518 20 residues pruned to eliminate duplicates Z: 14 8.027 2.138 0.274 0.189 0.846 0.385 CB 1.401 Z: 8 6.375 1.574 0.896 0.324 0.857 0.571 CB 1.144 Z: 6 4.484 1.455 0.734 0.551 0.800 0.600 CB 0.945 Z: 13 11.525 1.857 0.407 0.521 0.917 0.500 CA 1.361 13 residues pruned to eliminate duplicates Z: 19 26.088 2.050 0.895 0.899 0.833 0.500 CB 1.358 19 residues pruned to eliminate duplicates 10 1.974 1.479 0.129 0.151 0.556 0.333 CA 1.090 ? Z: 18 20.232 1.748 0.705 0.902 0.941 0.588 CA 1.248 18 residues pruned to eliminate duplicates Z: 67 42.090 2.033 0.685 0.590 0.909 0.545 CA 1.526 40 residues pruned to eliminate duplicates Z: 10 12.142 1.815 0.316 0.867 1.000 0.667 CA 1.240 10 residues pruned to eliminate duplicates Z: 18 18.164 2.107 0.454 0.576 0.882 0.529 CB 1.515 18 residues pruned to eliminate duplicates Z: 13 5.765 1.451 0.469 0.312 0.833 0.500 CA 1.154 9 residues pruned to eliminate duplicates Z: 18 17.888 1.730 0.510 0.897 1.000 0.765 CA 1.189 18 residues pruned to eliminate duplicates Z: 11 15.749 1.924 0.689 0.636 0.900 0.600 CB 1.499 12 residues pruned to eliminate duplicates Z: 29 21.090 2.079 0.572 0.469 0.929 0.607 CB 1.354 29 residues pruned to eliminate duplicates Z: 7 6.877 1.539 0.573 0.853 0.833 0.500 CA 1.028 5 residues pruned to eliminate duplicates Z: 6 6.060 2.039 0.273 0.676 0.800 0.600 CB 1.110 Z: 19 21.686 2.015 0.552 0.921 0.944 0.889 CB 1.218 19 residues pruned to eliminate duplicates Z: 11 6.714 1.840 0.527 0.288 0.900 0.400 CB 1.066 Z: 16 6.666 1.848 0.461 0.333 0.733 0.400 CB 1.043 16 residues pruned to eliminate duplicates Z: 6 4.208 1.856 -0.183 0.498 0.800 0.400 N 1.555 6 residues pruned to eliminate duplicates Z: 9 10.573 1.978 0.742 0.500 0.875 0.625 CB 1.240 10 residues pruned to eliminate duplicates Z: 34 26.755 2.082 0.450 0.625 0.879 0.636 CA 1.560 34 residues pruned to eliminate duplicates Z: 16 15.019 1.882 0.581 0.532 0.867 0.733 CA 1.456 16 residues pruned to eliminate duplicates Z: 12 9.073 1.774 0.744 0.479 0.727 0.636 CA 1.242 12 residues pruned to eliminate duplicates Z: 12 5.002 1.730 0.495 0.211 0.727 0.545 CB 1.129 12 residues pruned to eliminate duplicates Z: 21 13.700 1.916 0.437 0.395 0.800 0.450 CB 1.553 21 residues pruned to eliminate duplicates Z: 28 16.816 1.937 0.515 0.368 0.926 0.444 CA 1.372 28 residues pruned to eliminate duplicates Z: 7 8.393 1.684 0.636 0.731 0.833 0.833 N 1.213 Z: 19 10.373 1.729 0.549 0.348 0.944 0.444 CB 1.140 19 residues pruned to eliminate duplicates Z: 7 4.913 1.530 0.401 0.702 0.833 0.500 CB 0.934 7 residues pruned to eliminate duplicates Z: 23 17.430 1.938 0.341 0.452 0.955 0.545 CB 1.574 23 residues pruned to eliminate duplicates Z: 7 3.822 1.816 0.376 0.333 0.667 0.500 CB 1.124 7 residues pruned to eliminate duplicates Z: 6 3.977 1.805 -0.066 0.599 1.000 0.600 N 0.960 Z: 28 15.411 1.878 0.329 0.463 0.926 0.630 CB 1.333 28 residues pruned to eliminate duplicates Z: 9 11.527 1.960 0.560 0.684 0.875 0.625 CA 1.286 9 residues pruned to eliminate duplicates Z: 15 15.982 2.035 0.306 0.593 1.000 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 13 15.362 1.890 0.558 0.509 1.000 0.667 CB 1.492 13 residues pruned to eliminate duplicates Z: 12 15.124 2.193 0.434 0.503 0.909 0.636 CA 1.590 12 residues pruned to eliminate duplicates Z: 14 20.010 1.939 1.070 0.874 0.846 0.308 CB 1.189 14 residues pruned to eliminate duplicates Z: 22 11.843 1.911 0.550 0.369 0.762 0.381 CB 1.318 7 residues pruned to eliminate duplicates Z: 18 12.550 2.169 0.524 0.382 0.765 0.529 CB 1.365 18 residues pruned to eliminate duplicates Z: 8 6.514 1.911 0.232 0.609 0.571 0.286 CA 1.650 8 residues pruned to eliminate duplicates Z: 7 4.613 1.653 0.016 0.643 0.833 0.500 CB 1.177 Z: 19 18.003 1.880 0.425 0.858 0.944 0.722 CB 1.235 19 residues pruned to eliminate duplicates Z: 62 39.268 2.096 0.558 0.596 0.918 0.623 CB 1.530 62 residues pruned to eliminate duplicates Z: 11 10.048 2.062 0.840 0.471 0.800 0.800 CB 1.078 11 residues pruned to eliminate duplicates Z: 19 17.364 1.748 0.321 0.900 1.000 0.833 CA 1.266 19 residues pruned to eliminate duplicates Z: 21 19.475 2.085 0.605 0.484 0.900 0.700 CB 1.469 21 residues pruned to eliminate duplicates Z: 9 10.603 1.594 0.451 0.720 1.000 0.500 O 1.328 9 residues pruned to eliminate duplicates Z: 6 3.148 1.675 0.584 0.462 0.600 0.400 N 0.920 Z: 6 5.138 1.930 0.013 0.451 0.800 0.400 N 1.545 Z: 8 8.026 1.675 0.501 0.588 0.857 0.429 CB 1.294 8 residues pruned to eliminate duplicates Z: 14 18.488 1.787 0.564 0.899 1.000 0.769 CA 1.312 14 residues pruned to eliminate duplicates Z: 8 4.850 1.495 0.526 0.479 0.857 0.571 CB 0.958 Z: 13 15.370 1.765 0.647 0.889 0.833 0.667 CB 1.318 13 residues pruned to eliminate duplicates Z: 20 12.232 1.935 0.294 0.347 0.895 0.632 CA 1.479 20 residues pruned to eliminate duplicates Z: 6 6.662 1.552 0.256 0.732 1.000 0.600 C 1.240 Z: 27 32.347 2.206 0.701 0.732 0.846 0.462 CB 1.622 27 residues pruned to eliminate duplicates Z: 12 12.287 1.918 0.395 0.527 0.909 0.545 N 1.484 12 residues pruned to eliminate duplicates Z: 51 31.165 1.947 0.508 0.633 0.920 0.660 CB 1.440 51 residues pruned to eliminate duplicates Z: 13 25.557 2.302 0.699 0.891 0.917 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 15 10.128 1.747 0.434 0.401 0.929 0.500 N 1.291 15 residues pruned to eliminate duplicates Z: 6 2.578 1.567 0.697 0.738 1.000 0.600 CB 0.350 Z: 14 9.949 1.804 0.535 0.466 0.846 0.538 CB 1.218 14 residues pruned to eliminate duplicates Z: 6 2.594 1.605 0.222 0.288 0.800 0.600 CB 0.939 Z: 7 3.034 1.598 0.126 0.400 0.833 0.667 CB 0.917 Z: 11 7.221 1.832 0.221 0.340 0.900 0.700 CA 1.349 11 residues pruned to eliminate duplicates Z: 22 11.439 1.949 0.213 0.364 0.857 0.524 CA 1.427 22 residues pruned to eliminate duplicates Z: 12 11.457 1.829 0.099 0.871 1.000 0.909 CA 1.253 12 residues pruned to eliminate duplicates Z: 8 3.429 1.845 0.064 0.357 0.857 0.714 CA 0.898 8 residues pruned to eliminate duplicates Z: 20 16.454 2.015 0.585 0.412 0.895 0.421 CB 1.449 20 residues pruned to eliminate duplicates Z: 11 6.641 1.638 0.143 0.553 1.000 0.600 CB 1.066 7 residues pruned to eliminate duplicates Z: 9 6.561 1.566 0.850 0.410 1.000 0.625 CA 0.880 9 residues pruned to eliminate duplicates Z: 30 17.950 1.963 0.393 0.334 0.966 0.448 CA 1.515 34 residues pruned to eliminate duplicates Z: 17 10.135 1.977 0.341 0.449 0.812 0.562 CA 1.239 17 residues pruned to eliminate duplicates Z: 8 9.799 1.587 0.748 0.887 1.000 0.857 CA 0.962 8 residues pruned to eliminate duplicates Z: 14 13.974 1.826 0.339 0.865 0.923 0.846 CA 1.258 14 residues pruned to eliminate duplicates Z: 74 41.860 2.157 0.608 0.541 0.918 0.534 CB 1.478 62 residues pruned to eliminate duplicates Z: 7 8.015 1.942 0.210 0.578 0.833 0.500 CA 1.549 7 residues pruned to eliminate duplicates Z: 8 3.203 1.399 0.073 0.422 0.857 0.571 CA 1.022 Z: 14 10.922 1.956 0.288 0.581 0.769 0.462 CB 1.446 14 residues pruned to eliminate duplicates Z: 21 14.778 2.028 0.386 0.397 0.850 0.600 CB 1.542 22 residues pruned to eliminate duplicates Z: 16 25.009 2.137 0.662 0.912 0.867 0.533 CB 1.486 16 residues pruned to eliminate duplicates Z: 11 5.429 1.738 0.558 0.459 0.800 0.600 CB 0.826 11 residues pruned to eliminate duplicates Z: 13 5.978 1.960 0.305 0.204 0.750 0.500 CB 1.277 13 residues pruned to eliminate duplicates Z: 7 3.614 1.761 0.297 0.399 0.667 0.167 CB 1.078 7 residues pruned to eliminate duplicates Z: 15 14.641 1.865 0.540 0.541 0.929 0.714 CB 1.409 15 residues pruned to eliminate duplicates Z: 17 15.209 1.903 0.090 0.871 0.938 0.750 CB 1.427 17 residues pruned to eliminate duplicates Z: 13 4.408 1.825 -0.130 0.443 0.750 0.667 CB 1.133 12 residues pruned to eliminate duplicates Z: 29 19.575 2.031 0.624 0.480 0.893 0.643 CA 1.282 29 residues pruned to eliminate duplicates Z: 10 12.126 1.858 0.695 0.589 1.000 0.556 CB 1.179 10 residues pruned to eliminate duplicates Z: 8 8.665 1.822 0.615 0.523 0.857 0.571 CB 1.269 8 residues pruned to eliminate duplicates Z: 20 35.319 2.219 0.609 0.896 1.000 0.842 CA 1.626 20 residues pruned to eliminate duplicates Z: 9 8.740 1.753 0.564 0.671 1.000 0.750 CA 0.962 8 residues pruned to eliminate duplicates Z: 8 4.877 1.414 0.763 0.462 1.000 0.429 CA 0.768 8 residues pruned to eliminate duplicates Z: 6 3.772 1.537 0.183 0.481 1.000 0.800 N 0.946 6 residues pruned to eliminate duplicates Z: 20 21.926 1.935 0.583 0.812 0.947 0.895 CB 1.322 21 residues pruned to eliminate duplicates Z: 19 12.010 2.030 0.416 0.379 0.833 0.444 CA 1.344 19 residues pruned to eliminate duplicates Z: 12 9.033 1.655 0.067 0.580 1.000 0.636 CA 1.428 7 residues pruned to eliminate duplicates Z: 10 9.410 1.876 0.119 0.860 0.889 0.778 CB 1.236 10 residues pruned to eliminate duplicates Z: 6 4.220 1.457 0.424 0.648 0.800 0.800 CB 0.990 Z: 9 3.418 1.814 0.073 0.242 0.750 0.500 CA 1.116 9 residues pruned to eliminate duplicates Z: 23 11.083 1.888 0.191 0.429 0.909 0.545 CA 1.245 23 residues pruned to eliminate duplicates Z: 11 14.298 2.008 0.557 0.499 1.000 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 13 11.062 2.069 0.332 0.436 0.750 0.583 CA 1.652 10 residues pruned to eliminate duplicates Z: 8 8.962 1.694 0.106 0.871 1.000 0.714 CA 1.318 10 residues pruned to eliminate duplicates Z: 20 15.172 1.929 0.514 0.412 0.842 0.632 CB 1.552 23 residues pruned to eliminate duplicates Z: 10 16.782 1.991 0.858 0.714 0.889 0.667 CA 1.401 10 residues pruned to eliminate duplicates Z: 11 9.380 1.812 0.665 0.623 0.900 0.600 CA 0.973 14 residues pruned to eliminate duplicates Z: 15 13.320 2.090 0.541 0.376 0.929 0.357 CA 1.359 15 residues pruned to eliminate duplicates Z: 7 3.406 1.431 0.197 0.402 1.000 0.667 CB 0.901 Z: 7 2.778 1.677 0.436 0.459 0.833 0.667 CB 0.589 5 residues pruned to eliminate duplicates Z: 7 2.028 1.501 0.277 0.246 0.500 0.500 CB 1.157 Z: 6 2.839 1.609 0.297 0.249 0.800 0.400 CB 1.015 Z: 14 12.751 1.941 0.505 0.362 1.000 0.692 CB 1.404 14 residues pruned to eliminate duplicates Z: 22 34.275 2.241 0.416 0.917 1.000 0.857 CA 1.663 22 residues pruned to eliminate duplicates Z: 7 3.820 1.724 0.135 0.480 0.667 0.333 CA 1.219 Z: 12 4.865 1.874 0.320 0.285 0.636 0.273 CA 1.188 12 residues pruned to eliminate duplicates Z: 8 7.991 1.689 0.494 0.454 1.000 0.714 CB 1.254 7 residues pruned to eliminate duplicates Z: 8 7.893 1.743 0.744 0.874 1.000 0.857 CB 0.714 Z: 6 10.194 1.945 0.680 0.567 1.000 0.400 CA 1.307 6 residues pruned to eliminate duplicates Z: 6 12.398 2.206 0.726 0.602 1.000 0.800 CA 1.321 6 residues pruned to eliminate duplicates Z: 9 4.754 1.694 0.312 0.551 0.875 0.750 CB 0.823 Z: 23 18.721 1.850 0.531 0.580 0.955 0.591 CA 1.367 23 residues pruned to eliminate duplicates Z: 11 3.205 1.553 0.281 0.167 0.600 0.400 C 1.273 11 residues pruned to eliminate duplicates 6 1.059 1.337 -0.056 0.348 0.600 0.600 CB 0.737 ? Z: 27 15.231 2.021 0.386 0.486 0.846 0.500 CB 1.277 27 residues pruned to eliminate duplicates Z: 40 33.861 2.118 0.725 0.602 0.923 0.487 CB 1.459 40 residues pruned to eliminate duplicates Z: 13 7.837 1.796 0.487 0.442 0.667 0.583 CA 1.348 13 residues pruned to eliminate duplicates Z: 13 6.074 1.692 0.837 0.522 0.750 0.500 CB 0.736 8 residues pruned to eliminate duplicates Z: 21 24.428 1.997 0.713 0.913 0.900 0.550 CB 1.256 21 residues pruned to eliminate duplicates Z: 6 3.689 1.885 0.204 0.287 0.800 0.400 CB 1.154 Z: 9 7.166 1.877 0.325 0.584 1.000 0.750 CB 0.940 11 residues pruned to eliminate duplicates Z: 9 6.991 1.861 0.266 0.469 0.875 0.750 CB 1.238 9 residues pruned to eliminate duplicates Z: 8 6.227 1.753 1.078 0.381 0.857 0.429 CB 0.855 Z: 6 3.669 1.191 0.316 0.794 1.000 0.800 CA 0.808 6 0.914 1.648 0.458 0.459 1.000 0.400 CB 0.177 ? Z: 28 34.521 2.161 0.679 0.655 0.963 0.630 CB 1.647 27 residues pruned to eliminate duplicates Z: 27 17.160 1.937 0.604 0.404 0.808 0.692 CA 1.484 27 residues pruned to eliminate duplicates Z: 31 21.770 1.958 0.408 0.569 0.900 0.700 CA 1.498 26 residues pruned to eliminate duplicates Z: 6 4.698 1.816 -0.139 0.660 1.000 0.800 CB 1.157 Z: 6 4.572 1.811 0.361 0.505 0.600 0.600 CA 1.376 6 residues pruned to eliminate duplicates Z: 7 11.236 1.923 0.548 0.678 1.000 0.667 CB 1.308 7 residues pruned to eliminate duplicates Z: 6 3.022 1.403 0.534 0.418 0.800 0.400 CB 0.855 Z: 12 11.875 2.042 0.435 0.507 0.818 0.545 CA 1.484 12 residues pruned to eliminate duplicates Z: 16 9.163 1.773 0.280 0.414 0.933 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 7 5.922 1.773 0.219 0.525 0.833 0.500 CB 1.309 6 residues pruned to eliminate duplicates Z: 7 2.085 1.270 0.742 0.323 0.667 0.333 CA 0.702 Z: 18 20.187 1.766 0.674 0.892 0.882 0.647 CA 1.349 18 residues pruned to eliminate duplicates Z: 6 2.512 1.591 0.144 0.500 0.600 0.200 O 1.029 Z: 6 4.149 1.575 0.238 0.463 0.800 0.400 CB 1.235 Z: 10 8.639 1.582 0.407 0.886 1.000 0.889 CA 0.933 8 residues pruned to eliminate duplicates Z: 26 19.551 2.031 0.539 0.464 0.880 0.800 CA 1.474 31 residues pruned to eliminate duplicates Z: 23 13.019 1.900 0.753 0.355 0.818 0.545 CB 1.192 19 residues pruned to eliminate duplicates Z: 10 4.314 1.318 0.617 0.305 0.778 0.556 N 1.078 Z: 12 3.767 1.480 0.183 0.265 0.727 0.545 CB 1.166 12 residues pruned to eliminate duplicates Z: 7 4.335 1.790 -0.339 0.485 1.000 0.500 CB 1.517 7 residues pruned to eliminate duplicates Z: 7 4.399 1.421 0.834 0.500 0.667 0.500 N 1.033 Z: 9 16.226 1.849 0.669 0.830 1.000 0.500 CA 1.398 10 residues pruned to eliminate duplicates Z: 10 3.078 1.435 0.302 0.365 0.667 0.444 N 0.952 Z: 7 6.542 1.793 0.027 0.611 1.000 0.667 CB 1.305 7 residues pruned to eliminate duplicates Z: 8 2.905 1.362 0.534 0.377 1.000 0.571 CB 0.599 Z: 20 14.622 1.999 0.305 0.380 0.947 0.789 CA 1.543 20 residues pruned to eliminate duplicates 9 1.620 1.408 0.317 0.223 0.625 0.500 CB 0.684 ? Z: 7 4.682 1.509 0.571 0.383 0.833 0.500 CB 1.095 Z: 11 2.849 1.479 0.488 0.252 0.600 0.400 CB 0.907 11 residues pruned to eliminate duplicates Z: 52 42.410 2.091 0.719 0.657 0.922 0.490 CB 1.550 64 residues pruned to eliminate duplicates Z: 26 10.961 1.984 0.330 0.368 0.800 0.520 CA 1.196 26 residues pruned to eliminate duplicates 6 1.809 1.192 0.225 0.497 0.600 0.600 N 0.926 ? Z: 35 32.162 2.125 0.559 0.690 0.912 0.882 CA 1.535 35 residues pruned to eliminate duplicates Z: 20 17.054 2.163 0.278 0.481 1.000 0.684 CB 1.444 20 residues pruned to eliminate duplicates Z: 15 20.862 2.150 0.619 0.704 0.929 0.643 CB 1.433 15 residues pruned to eliminate duplicates Z: 14 24.356 2.080 0.652 0.895 0.923 0.231 CB 1.526 14 residues pruned to eliminate duplicates Z: 20 14.962 2.053 0.318 0.459 0.895 0.684 CA 1.479 20 residues pruned to eliminate duplicates Z: 23 31.245 2.132 0.665 0.703 1.000 0.864 CA 1.561 26 residues pruned to eliminate duplicates Z: 27 26.610 2.042 0.453 0.717 0.923 0.731 CA 1.566 27 residues pruned to eliminate duplicates Z: 22 14.243 1.949 0.439 0.438 0.857 0.667 CA 1.377 22 residues pruned to eliminate duplicates Z: 16 16.250 1.889 0.585 0.512 1.000 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 7 4.616 1.545 0.306 0.560 1.000 0.833 CA 0.881 7 residues pruned to eliminate duplicates Z: 6 3.928 1.822 0.042 0.550 0.800 0.400 CA 1.102 6 residues pruned to eliminate duplicates Z: 11 11.953 2.102 0.124 0.521 1.000 0.700 CB 1.566 11 residues pruned to eliminate duplicates Z: 7 4.543 1.636 0.587 0.417 0.833 0.500 CB 0.935 Z: 10 7.067 1.781 0.674 0.219 0.889 0.444 CB 1.236 10 residues pruned to eliminate duplicates Z: 29 20.884 2.011 0.470 0.594 0.893 0.643 CB 1.366 29 residues pruned to eliminate duplicates Z: 6 3.873 1.464 0.715 0.552 0.600 0.400 CB 1.093 Z: 8 4.944 1.626 -0.007 0.641 0.857 0.571 CB 1.183 7 residues pruned to eliminate duplicates Z: 8 4.284 1.683 -0.064 0.548 0.857 0.429 CB 1.144 8 residues pruned to eliminate duplicates Z: 10 4.084 1.657 0.350 0.285 0.556 0.222 CB 1.396 5 residues pruned to eliminate duplicates Z: 6 4.200 1.541 -0.077 0.702 1.000 0.800 O 1.098 Z: 11 11.411 1.861 0.378 0.450 1.000 0.500 CB 1.482 11 residues pruned to eliminate duplicates Z: 14 13.867 1.881 0.347 0.603 1.000 0.769 CB 1.376 12 residues pruned to eliminate duplicates Z: 9 2.789 1.373 -0.035 0.594 0.750 0.750 CA 0.907 Z: 39 34.625 2.041 0.692 0.651 0.947 0.526 CB 1.492 39 residues pruned to eliminate duplicates 6 1.663 1.416 0.706 0.246 0.600 0.400 CB 0.687 ? Z: 8 10.074 2.055 0.381 0.718 0.857 0.571 CB 1.285 8 residues pruned to eliminate duplicates Z: 8 8.539 1.606 0.240 0.909 1.000 1.000 CA 1.150 7 residues pruned to eliminate duplicates Z: 6 3.897 1.425 0.979 0.547 0.800 0.600 C 0.738 Z: 17 25.301 2.137 0.594 0.888 0.938 0.625 CB 1.427 14 residues pruned to eliminate duplicates Z: 13 10.334 1.973 0.682 0.403 0.833 0.583 CB 1.195 13 residues pruned to eliminate duplicates Z: 8 4.291 1.737 0.057 0.398 0.857 0.429 CA 1.147 8 residues pruned to eliminate duplicates Z: 14 15.751 1.732 0.644 0.694 0.923 0.538 CA 1.392 17 residues pruned to eliminate duplicates Z: 11 5.603 1.629 0.393 0.304 0.800 0.500 CB 1.213 11 residues pruned to eliminate duplicates Z: 8 2.023 1.523 0.292 0.212 0.571 0.429 CB 0.955 Z: 9 10.575 1.931 0.697 0.522 0.875 0.625 CB 1.276 9 residues pruned to eliminate duplicates 6 1.760 1.438 -0.222 0.466 0.600 0.600 CB 1.213 ? Z: 6 7.747 1.518 0.500 0.861 1.000 0.600 O 1.118 6 residues pruned to eliminate duplicates Z: 14 15.810 1.719 0.696 0.874 0.846 0.538 CA 1.293 14 residues pruned to eliminate duplicates Z: 23 13.051 1.859 0.393 0.390 0.909 0.636 CB 1.329 23 residues pruned to eliminate duplicates Z: 11 5.806 1.627 0.333 0.312 0.900 0.500 CB 1.159 11 residues pruned to eliminate duplicates Z: 15 8.763 1.955 0.225 0.408 0.929 0.500 CA 1.159 15 residues pruned to eliminate duplicates Z: 7 7.259 1.704 0.523 0.560 0.833 0.500 CB 1.293 4 residues pruned to eliminate duplicates Z: 21 13.540 1.848 0.358 0.403 0.950 0.600 N 1.406 21 residues pruned to eliminate duplicates Z: 10 9.447 1.867 0.091 0.536 1.000 0.778 CA 1.492 10 residues pruned to eliminate duplicates Z: 9 3.310 1.483 0.454 0.402 0.750 0.750 CB 0.802 Z: 13 14.076 1.744 0.304 0.937 1.000 1.000 CA 1.244 13 residues pruned to eliminate duplicates Z: 11 9.004 1.689 0.120 0.903 0.900 0.700 CA 1.191 9 residues pruned to eliminate duplicates Z: 28 11.888 1.669 0.603 0.451 0.815 0.407 CB 1.104 28 residues pruned to eliminate duplicates Z: 6 2.422 1.734 -0.074 0.475 0.800 0.400 CB 0.865 Z: 11 8.331 1.841 0.761 0.369 0.800 0.500 CA 1.169 11 residues pruned to eliminate duplicates Z: 7 6.173 1.759 0.222 0.806 1.000 1.000 CB 0.897 7 residues pruned to eliminate duplicates Z: 6 2.275 1.727 0.513 0.298 0.600 0.600 CB 0.814 7 residues pruned to eliminate duplicates Z: 22 12.837 1.633 0.504 0.649 0.905 0.476 CA 1.097 22 residues pruned to eliminate duplicates Z: 13 5.895 1.497 0.606 0.397 0.833 0.583 CA 0.947 8 residues pruned to eliminate duplicates 6 0.905 1.354 -0.160 0.100 0.800 0.200 CB 0.741 ? Z: 6 3.070 1.588 0.851 0.296 0.600 0.400 CB 0.978 Z: 26 11.535 1.902 0.740 0.292 0.760 0.480 CB 1.158 26 residues pruned to eliminate duplicates Z: 7 3.832 1.467 0.496 0.239 0.833 0.667 CA 1.157 6 1.928 1.349 0.342 0.300 0.800 0.400 N 0.744 ? Z: 14 9.846 1.776 0.269 0.520 0.923 0.385 CB 1.286 14 residues pruned to eliminate duplicates Z: 26 29.125 2.132 0.370 0.781 1.000 0.920 CA 1.558 26 residues pruned to eliminate duplicates Z: 8 6.813 1.547 0.485 0.555 0.857 0.714 CB 1.240 6 residues pruned to eliminate duplicates Z: 10 2.695 1.491 0.350 0.263 0.667 0.444 CB 0.877 Z: 9 3.551 1.497 0.160 0.493 0.875 0.750 CB 0.832 Z: 9 4.174 1.648 0.102 0.517 0.750 0.625 CB 1.066 9 residues pruned to eliminate duplicates Z: 6 3.197 1.287 0.649 0.565 0.800 0.600 CB 0.791 Z: 12 4.636 1.516 0.407 0.333 0.727 0.545 CA 1.083 12 residues pruned to eliminate duplicates Z: 8 4.734 1.689 0.661 0.222 0.857 0.571 CB 1.031 8 residues pruned to eliminate duplicates Z: 23 17.124 1.989 0.415 0.466 0.955 0.636 CA 1.407 23 residues pruned to eliminate duplicates Z: 8 9.263 1.825 0.648 0.468 0.857 0.571 CA 1.403 9 residues pruned to eliminate duplicates Z: 6 3.212 1.543 0.477 0.279 0.800 0.400 CA 1.011 Z: 43 33.021 2.064 0.546 0.627 0.905 0.571 CB 1.566 43 residues pruned to eliminate duplicates Z: 13 13.190 1.799 0.149 0.922 1.000 1.000 CA 1.295 13 residues pruned to eliminate duplicates Z: 6 6.732 1.719 -0.059 0.792 1.000 1.000 O 1.439 6 residues pruned to eliminate duplicates Z: 6 6.306 1.378 0.492 0.861 1.000 0.600 C 1.008 Z: 62 42.698 2.266 0.584 0.560 0.918 0.508 CB 1.565 62 residues pruned to eliminate duplicates 7 1.962 1.178 0.283 0.362 0.833 0.500 N 0.738 ? Z: 17 18.318 2.066 0.461 0.500 0.938 0.562 CA 1.619 17 residues pruned to eliminate duplicates Z: 7 4.016 1.566 0.387 0.496 0.833 0.500 CA 0.910 Z: 6 3.654 1.639 0.240 0.597 0.800 0.600 C 0.917 Z: 19 27.925 2.127 0.459 0.861 0.944 0.722 N 1.650 19 residues pruned to eliminate duplicates Z: 9 8.434 1.699 0.910 0.563 0.750 0.375 CB 1.153 Z: 22 18.829 2.001 0.337 0.702 0.905 0.667 CB 1.412 22 residues pruned to eliminate duplicates Z: 19 20.179 2.074 0.344 0.824 0.944 0.833 CB 1.365 19 residues pruned to eliminate duplicates Z: 8 9.293 1.902 0.253 0.663 0.857 0.571 N 1.479 8 residues pruned to eliminate duplicates Z: 22 15.292 2.034 0.287 0.437 0.905 0.571 CA 1.504 22 residues pruned to eliminate duplicates Z: 37 18.157 2.010 0.437 0.485 0.861 0.528 CB 1.235 37 residues pruned to eliminate duplicates Z: 6 3.239 1.348 0.478 0.318 1.000 0.400 CA 0.889 Z: 44 39.188 2.200 0.710 0.621 0.930 0.465 CB 1.524 39 residues pruned to eliminate duplicates Z: 27 27.809 2.044 0.353 0.739 0.962 0.923 CA 1.655 27 residues pruned to eliminate duplicates Z: 13 8.803 1.562 0.584 0.617 1.000 0.583 CB 0.919 7 residues pruned to eliminate duplicates Z: 9 14.830 1.793 0.849 0.794 1.000 0.875 CA 1.222 9 residues pruned to eliminate duplicates Z: 6 2.395 1.261 0.152 0.485 0.800 0.800 C 0.936 6 1.150 1.072 0.083 0.590 0.800 0.600 N 0.508 ? Z: 18 17.818 2.102 0.551 0.456 0.882 0.647 CA 1.572 18 residues pruned to eliminate duplicates Z: 12 5.082 1.911 0.070 0.318 0.636 0.455 CB 1.440 10 residues pruned to eliminate duplicates Z: 6 2.543 1.175 0.335 0.547 0.800 0.400 CB 0.866 Z: 6 2.740 1.400 0.443 0.373 0.800 0.400 CA 0.868 Z: 12 5.079 1.656 0.147 0.393 0.909 0.636 CB 0.993 6 residues pruned to eliminate duplicates Z: 19 17.344 1.732 0.462 0.873 1.000 0.722 CA 1.176 19 residues pruned to eliminate duplicates Z: 26 15.434 2.115 0.719 0.246 0.840 0.480 CB 1.354 26 residues pruned to eliminate duplicates Z: 37 39.144 2.146 0.674 0.669 0.972 0.639 CB 1.597 37 residues pruned to eliminate duplicates Z: 6 2.548 1.625 0.218 0.403 0.600 0.400 CB 1.063 Z: 11 10.508 1.733 0.509 0.486 0.900 0.200 CA 1.432 11 residues pruned to eliminate duplicates Z: 34 25.906 1.899 0.625 0.579 0.939 0.515 CA 1.442 34 residues pruned to eliminate duplicates Z: 6 2.443 1.368 1.115 0.411 0.600 0.400 CB 0.691 Z: 9 10.183 1.643 0.538 0.881 1.000 0.750 CA 1.031 9 residues pruned to eliminate duplicates Z: 8 5.241 1.695 0.313 0.655 0.857 0.714 N 0.899 Z: 9 18.283 2.029 0.689 0.762 1.000 0.750 CA 1.495 9 residues pruned to eliminate duplicates Z: 9 4.276 1.624 -0.024 0.508 0.750 0.500 CB 1.262 Z: 12 9.513 1.975 0.226 0.465 0.818 0.636 CB 1.500 12 residues pruned to eliminate duplicates Z: 27 10.064 1.893 0.155 0.409 0.808 0.538 CA 1.230 27 residues pruned to eliminate duplicates 10 1.833 1.401 0.418 0.302 0.444 0.333 CB 0.863 ? Z: 17 15.602 2.113 0.629 0.595 0.812 0.688 CA 1.274 17 residues pruned to eliminate duplicates Z: 10 10.077 1.796 0.856 0.447 0.889 0.778 CB 1.197 11 residues pruned to eliminate duplicates Z: 6 3.856 1.796 0.790 0.317 0.600 0.200 CA 1.095 Z: 8 7.890 1.609 0.444 0.768 1.000 0.714 CA 1.012 8 residues pruned to eliminate duplicates Z: 9 5.172 1.841 0.591 0.297 0.750 0.625 CB 1.045 9 residues pruned to eliminate duplicates Z: 26 23.310 2.088 0.450 0.576 0.880 0.560 CB 1.626 26 residues pruned to eliminate duplicates Z: 29 17.801 2.044 0.512 0.472 0.893 0.571 CB 1.255 29 residues pruned to eliminate duplicates Z: 6 3.159 1.726 0.028 0.391 0.800 0.400 CB 1.116 6 residues pruned to eliminate duplicates Z: 16 13.244 1.816 0.612 0.830 0.933 0.667 CB 0.941 14 residues pruned to eliminate duplicates Z: 18 9.648 1.652 0.431 0.516 0.824 0.412 CA 1.182 18 residues pruned to eliminate duplicates Z: 6 2.613 1.359 0.022 0.563 1.000 0.800 CB 0.792 Z: 20 9.261 1.692 0.338 0.348 0.895 0.316 CB 1.236 9 residues pruned to eliminate duplicates Z: 7 3.484 1.244 0.821 0.386 0.833 0.667 CB 0.851 7 residues pruned to eliminate duplicates Z: 7 3.831 1.614 0.087 0.441 0.833 0.500 CB 1.137 Z: 6 3.272 1.274 0.427 0.528 0.800 0.800 CB 0.979 Z: 7 3.208 1.413 0.266 0.467 0.833 0.500 CA 0.909 7 residues pruned to eliminate duplicates 6 1.749 1.561 -0.023 0.290 0.600 0.400 N 1.082 ? Z: 18 13.302 1.808 0.463 0.540 0.941 0.529 CB 1.247 18 residues pruned to eliminate duplicates Z: 6 4.800 1.657 0.584 0.552 0.800 0.800 CB 0.971 Z: 7 4.806 1.833 0.183 0.648 0.833 0.667 CB 0.945 7 residues pruned to eliminate duplicates Z: 24 15.639 1.913 0.455 0.321 0.957 0.609 CB 1.493 24 residues pruned to eliminate duplicates Z: 6 6.074 1.419 0.250 0.876 1.000 0.400 O 1.113 6 residues pruned to eliminate duplicates Z: 7 5.444 1.384 0.389 0.859 1.000 0.500 O 0.851 6 residues pruned to eliminate duplicates Z: 11 8.278 1.945 0.094 0.610 0.900 0.600 CB 1.232 11 residues pruned to eliminate duplicates Z: 7 7.553 1.894 -0.202 0.816 1.000 0.500 CB 1.549 7 residues pruned to eliminate duplicates Z: 9 6.476 1.689 0.750 0.395 0.750 0.500 N 1.154 9 residues pruned to eliminate duplicates Z: 23 14.105 1.891 0.423 0.442 0.909 0.727 CA 1.305 23 residues pruned to eliminate duplicates Z: 10 9.870 1.778 0.483 0.732 1.000 0.444 CB 1.012 9 residues pruned to eliminate duplicates Z: 6 3.402 1.704 0.261 0.532 0.800 0.600 CA 0.857 6 residues pruned to eliminate duplicates Z: 19 12.136 1.844 0.513 0.336 0.944 0.667 CB 1.298 19 residues pruned to eliminate duplicates Z: 28 14.144 1.723 0.421 0.412 0.889 0.519 CA 1.372 30 residues pruned to eliminate duplicates Z: 7 2.459 1.512 0.535 0.415 0.667 0.667 CB 0.709 Z: 21 13.474 1.978 0.301 0.372 0.900 0.750 CB 1.492 21 residues pruned to eliminate duplicates Z: 19 19.268 1.906 0.674 0.596 1.000 0.500 CB 1.299 19 residues pruned to eliminate duplicates Z: 6 3.127 1.333 0.106 0.687 1.000 0.800 N 0.799 Z: 25 11.411 2.015 0.637 0.301 0.708 0.500 CB 1.245 25 residues pruned to eliminate duplicates Z: 10 16.201 1.915 0.557 0.678 1.000 0.889 CA 1.538 10 residues pruned to eliminate duplicates Z: 14 8.028 1.779 0.257 0.554 0.846 0.538 CB 1.116 14 residues pruned to eliminate duplicates Z: 17 6.537 1.678 0.460 0.257 0.812 0.562 CB 1.084 17 residues pruned to eliminate duplicates Z: 11 3.207 1.658 0.547 0.126 0.600 0.200 CB 1.052 Z: 16 13.283 2.031 0.381 0.376 0.867 0.467 CA 1.610 16 residues pruned to eliminate duplicates Z: 19 12.243 1.716 0.717 0.495 0.833 0.611 CA 1.181 22 residues pruned to eliminate duplicates Z: 10 6.988 1.669 0.809 0.610 0.778 0.556 N 0.894 9 residues pruned to eliminate duplicates Z: 9 5.996 1.670 0.387 0.405 0.875 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 7 4.536 1.504 -0.022 0.729 1.000 0.500 CB 1.024 Z: 7 10.243 2.017 0.205 0.785 1.000 1.000 CA 1.339 7 residues pruned to eliminate duplicates Z: 18 8.475 1.690 0.464 0.430 0.706 0.412 N 1.266 18 residues pruned to eliminate duplicates Z: 13 8.531 2.038 0.295 0.413 0.833 0.583 CB 1.228 Z: 20 15.643 1.925 0.723 0.506 0.895 0.632 CA 1.202 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 7.688 2.035 0.251 0.564 0.833 0.833 CA 1.390 7 residues pruned to eliminate duplicates Z: 9 6.177 1.933 0.011 0.550 0.875 0.500 CB 1.216 9 residues pruned to eliminate duplicates Z: 8 3.854 1.865 0.014 0.504 0.714 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 10 7.462 1.790 0.278 0.446 1.000 0.444 CB 1.148 7 residues pruned to eliminate duplicates Z: 6 4.770 1.731 0.625 0.262 0.800 0.600 CA 1.244 Z: 8 5.637 1.813 0.401 0.557 0.714 0.714 CB 1.111 8 residues pruned to eliminate duplicates Z: 52 35.561 2.015 0.580 0.640 0.961 0.608 CB 1.428 49 residues pruned to eliminate duplicates 6 1.790 1.789 0.516 0.318 0.800 0.400 CB 0.451 ? Z: 6 4.221 1.777 1.054 0.455 1.000 0.600 CB 0.542 6 residues pruned to eliminate duplicates Z: 6 6.020 2.037 -0.372 0.800 1.000 0.800 N 1.619 6 residues pruned to eliminate duplicates Z: 7 4.018 1.798 -0.269 0.669 0.833 0.500 CB 1.280 7 residues pruned to eliminate duplicates Z: 7 4.807 1.760 -0.333 0.691 1.000 0.500 N 1.403 7 residues pruned to eliminate duplicates Z: 8 3.678 1.788 -0.380 0.520 1.000 0.286 CB 1.229 8 residues pruned to eliminate duplicates Z: 10 3.351 1.730 0.139 0.155 0.778 0.333 CA 1.113 10 residues pruned to eliminate duplicates Z: 9 2.893 1.658 0.290 0.192 0.750 0.625 CB 0.921 9 residues pruned to eliminate duplicates Z: 7 3.732 1.755 0.225 0.235 0.833 0.667 CA 1.157 7 residues pruned to eliminate duplicates Z: 7 2.292 1.586 0.188 0.183 0.667 0.500 C 1.090 7 residues pruned to eliminate duplicates Z: 6 2.873 1.753 -0.109 0.262 0.800 0.600 CB 1.349 6 residues pruned to eliminate duplicates Z: 15 11.408 1.682 0.540 0.513 0.857 0.714 CB 1.355 15 residues pruned to eliminate duplicates Z: 10 16.700 1.940 0.696 0.618 1.000 0.778 CA 1.513 10 residues pruned to eliminate duplicates Z: 12 13.223 1.837 0.480 0.544 1.000 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 11 14.985 1.913 0.528 0.641 1.000 0.900 CA 1.420 11 residues pruned to eliminate duplicates Z: 12 12.978 1.884 0.502 0.572 0.909 0.818 CA 1.419 12 residues pruned to eliminate duplicates Z: 12 15.205 1.884 0.533 0.620 1.000 0.818 CB 1.418 12 residues pruned to eliminate duplicates Z: 12 12.705 1.895 0.664 0.471 0.818 0.545 CA 1.528 12 residues pruned to eliminate duplicates Z: 8 12.303 2.205 0.702 0.618 0.857 0.429 CB 1.293 8 residues pruned to eliminate duplicates Z: 15 7.372 1.851 0.310 0.434 0.786 0.571 CB 1.107 15 residues pruned to eliminate duplicates Z: 11 9.855 2.164 0.264 0.540 0.800 0.400 CB 1.370 19 residues pruned to eliminate duplicates Z: 10 9.771 2.057 0.503 0.582 0.778 0.667 CB 1.253 10 residues pruned to eliminate duplicates Z: 15 7.390 1.860 0.388 0.288 0.786 0.571 CB 1.236 Z: 12 5.868 1.948 0.189 0.461 0.909 0.364 CB 0.874 12 residues pruned to eliminate duplicates Z: 12 6.573 1.945 0.454 0.395 0.727 0.545 CB 1.077 25 residues pruned to eliminate duplicates Z: 6 6.739 1.966 0.361 0.374 1.000 0.400 CA 1.288 7 residues pruned to eliminate duplicates Z: 6 11.548 2.074 0.751 0.566 1.000 0.800 CA 1.334 6 residues pruned to eliminate duplicates Z: 16 17.933 1.973 0.644 0.514 0.867 0.667 CA 1.624 16 residues pruned to eliminate duplicates Z: 15 17.978 1.874 0.704 0.552 0.929 0.714 CB 1.541 15 residues pruned to eliminate duplicates Z: 16 16.666 1.893 0.621 0.503 0.867 0.667 N 1.613 16 residues pruned to eliminate duplicates Z: 15 14.802 1.951 0.586 0.446 1.000 0.500 CA 1.352 15 residues pruned to eliminate duplicates Z: 6 4.301 1.643 0.245 0.430 1.000 0.600 CA 1.011 6 residues pruned to eliminate duplicates Z: 17 12.961 1.855 0.415 0.457 0.875 0.562 CA 1.475 17 residues pruned to eliminate duplicates Z: 15 15.884 1.911 0.469 0.518 0.929 0.429 CA 1.601 15 residues pruned to eliminate duplicates 6 1.802 1.465 0.358 0.341 0.600 0.600 CA 0.802 ? Z: 6 4.017 1.820 0.393 0.363 0.800 0.600 CA 1.027 6 residues pruned to eliminate duplicates Z: 10 12.701 2.007 0.766 0.591 1.000 0.778 CA 1.095 10 residues pruned to eliminate duplicates Z: 11 17.498 1.907 0.746 0.713 1.000 0.900 CA 1.370 11 residues pruned to eliminate duplicates Z: 10 15.173 1.963 1.004 0.709 0.889 0.778 CB 1.197 11 residues pruned to eliminate duplicates Z: 14 14.932 1.954 0.583 0.437 0.923 0.692 CA 1.548 14 residues pruned to eliminate duplicates Z: 14 9.965 1.776 0.660 0.267 0.846 0.385 CA 1.444 14 residues pruned to eliminate duplicates Z: 15 14.202 1.895 0.633 0.395 0.929 0.571 CA 1.475 15 residues pruned to eliminate duplicates Z: 15 11.928 1.881 0.495 0.377 0.929 0.643 CA 1.392 15 residues pruned to eliminate duplicates Z: 19 14.342 1.880 0.583 0.403 0.833 0.333 CB 1.509 19 residues pruned to eliminate duplicates Z: 14 15.067 1.974 0.630 0.441 0.923 0.385 CA 1.495 14 residues pruned to eliminate duplicates Z: 14 13.270 1.986 0.496 0.395 0.923 0.538 CA 1.499 14 residues pruned to eliminate duplicates Z: 13 12.452 1.947 0.586 0.502 0.833 0.667 CA 1.394 13 residues pruned to eliminate duplicates Z: 17 10.221 1.849 0.485 0.434 0.812 0.750 CA 1.226 17 residues pruned to eliminate duplicates Z: 13 13.498 2.021 0.676 0.503 0.833 0.667 CA 1.377 13 residues pruned to eliminate duplicates Z: 16 13.673 1.892 0.493 0.469 0.867 0.667 CA 1.488 16 residues pruned to eliminate duplicates Z: 14 13.556 1.973 0.707 0.399 0.846 0.615 CA 1.468 14 residues pruned to eliminate duplicates Z: 7 4.392 1.942 0.344 0.379 0.500 0.500 CA 1.562 7 residues pruned to eliminate duplicates Z: 7 4.795 1.969 0.674 0.282 0.500 0.333 CA 1.519 Z: 9 4.525 1.736 0.479 0.264 0.625 0.250 CA 1.305 14 residues pruned to eliminate duplicates Z: 40 14.955 1.885 0.272 0.316 0.872 0.538 CB 1.403 44 residues pruned to eliminate duplicates Z: 17 9.301 1.806 0.458 0.251 0.875 0.375 N 1.343 17 residues pruned to eliminate duplicates Z: 37 18.638 1.939 0.388 0.297 0.944 0.528 CB 1.533 38 residues pruned to eliminate duplicates Z: 11 8.218 1.888 0.348 0.342 0.900 0.400 N 1.347 11 residues pruned to eliminate duplicates Z: 20 5.188 1.729 0.039 0.278 0.737 0.368 CB 1.156 20 residues pruned to eliminate duplicates Z: 38 13.240 1.890 0.264 0.247 0.865 0.459 CB 1.412 38 residues pruned to eliminate duplicates Z: 37 17.760 1.952 0.368 0.343 0.917 0.694 CB 1.435 37 residues pruned to eliminate duplicates Z: 33 15.304 1.968 0.298 0.295 0.844 0.500 CB 1.578 33 residues pruned to eliminate duplicates Z: 32 13.275 1.891 0.290 0.295 0.806 0.452 CA 1.525 32 residues pruned to eliminate duplicates Z: 9 11.462 1.907 0.544 0.444 1.000 0.375 N 1.457 9 residues pruned to eliminate duplicates Z: 25 15.924 1.947 0.389 0.350 1.000 0.583 CB 1.413 25 residues pruned to eliminate duplicates Z: 24 16.994 1.984 0.390 0.343 1.000 0.609 CA 1.524 24 residues pruned to eliminate duplicates Z: 33 15.559 1.903 0.403 0.308 0.875 0.531 CA 1.458 33 residues pruned to eliminate duplicates Z: 32 17.862 1.921 0.442 0.342 0.903 0.581 CB 1.523 32 residues pruned to eliminate duplicates Z: 30 16.502 1.995 0.310 0.318 0.931 0.621 CA 1.540 30 residues pruned to eliminate duplicates Z: 24 18.218 2.021 0.452 0.364 1.000 0.739 CA 1.499 24 residues pruned to eliminate duplicates Z: 32 16.126 1.937 0.440 0.298 0.903 0.516 CB 1.441 32 residues pruned to eliminate duplicates Z: 23 16.957 2.008 0.405 0.334 1.000 0.636 CA 1.537 23 residues pruned to eliminate duplicates Z: 24 15.498 1.966 0.428 0.341 0.957 0.696 CA 1.431 24 residues pruned to eliminate duplicates Z: 34 14.966 1.917 0.429 0.288 0.909 0.606 CB 1.329 34 residues pruned to eliminate duplicates Z: 30 18.460 1.996 0.379 0.361 0.966 0.586 CB 1.498 30 residues pruned to eliminate duplicates Z: 38 17.250 1.965 0.407 0.337 0.838 0.676 CB 1.463 38 residues pruned to eliminate duplicates Z: 33 16.102 1.913 0.309 0.349 0.938 0.625 CB 1.427 33 residues pruned to eliminate duplicates Z: 33 17.729 1.900 0.495 0.328 0.938 0.594 CA 1.422 33 residues pruned to eliminate duplicates Z: 24 16.805 2.015 0.404 0.340 1.000 0.609 CB 1.475 24 residues pruned to eliminate duplicates Z: 40 18.251 1.923 0.471 0.324 0.897 0.641 CB 1.396 40 residues pruned to eliminate duplicates Z: 30 17.026 1.979 0.430 0.334 0.931 0.621 CB 1.439 30 residues pruned to eliminate duplicates Z: 38 16.795 1.953 0.352 0.323 0.892 0.649 CB 1.424 38 residues pruned to eliminate duplicates Z: 27 13.692 1.951 0.268 0.323 0.885 0.538 CA 1.492 27 residues pruned to eliminate duplicates Z: 11 4.498 1.713 0.245 0.288 0.800 0.600 CB 1.059 Z: 6 3.034 1.534 0.420 0.298 0.800 0.400 CA 0.977 6 residues pruned to eliminate duplicates Z: 16 13.013 1.894 0.521 0.532 0.800 0.667 CB 1.413 16 residues pruned to eliminate duplicates Z: 17 9.465 1.864 0.346 0.418 0.688 0.438 CA 1.495 17 residues pruned to eliminate duplicates Z: 6 5.212 1.835 0.542 0.594 0.600 0.600 CA 1.254 6 residues pruned to eliminate duplicates Z: 27 13.421 1.885 0.292 0.427 0.808 0.462 CB 1.443 27 residues pruned to eliminate duplicates Z: 29 15.158 1.932 0.389 0.438 0.786 0.571 CB 1.448 29 residues pruned to eliminate duplicates Z: 19 12.511 1.954 0.396 0.489 0.778 0.611 CB 1.405 19 residues pruned to eliminate duplicates Z: 26 16.309 1.968 0.431 0.509 0.840 0.600 CB 1.366 26 residues pruned to eliminate duplicates Z: 23 13.115 1.920 0.364 0.452 0.773 0.455 CB 1.451 23 residues pruned to eliminate duplicates Z: 22 13.849 1.941 0.337 0.434 0.857 0.476 CB 1.455 22 residues pruned to eliminate duplicates Z: 21 14.575 1.994 0.357 0.427 0.850 0.500 CB 1.530 21 residues pruned to eliminate duplicates Z: 63 20.079 1.913 0.336 0.332 0.823 0.419 CB 1.457 63 residues pruned to eliminate duplicates Z: 25 13.975 1.956 0.363 0.432 0.792 0.375 CB 1.450 25 residues pruned to eliminate duplicates Z: 28 16.627 1.997 0.408 0.456 0.778 0.407 CB 1.530 28 residues pruned to eliminate duplicates Z: 18 11.908 1.962 0.347 0.515 0.765 0.471 CB 1.408 18 residues pruned to eliminate duplicates Z: 28 15.179 1.906 0.391 0.438 0.852 0.481 CB 1.380 28 residues pruned to eliminate duplicates Z: 19 11.034 2.023 0.172 0.467 0.778 0.389 CB 1.459 19 residues pruned to eliminate duplicates Z: 20 14.173 1.971 0.326 0.448 0.842 0.421 CB 1.558 20 residues pruned to eliminate duplicates Z: 27 13.999 1.939 0.409 0.355 0.846 0.500 CA 1.389 27 residues pruned to eliminate duplicates Z: 23 16.078 2.026 0.379 0.419 0.909 0.545 CA 1.469 24 residues pruned to eliminate duplicates Z: 6 3.729 1.657 0.304 0.300 1.000 0.000 CB 0.964 6 residues pruned to eliminate duplicates Z: 22 14.663 1.966 0.400 0.419 0.952 0.381 CB 1.328 22 residues pruned to eliminate duplicates Z: 25 15.259 1.951 0.421 0.403 0.875 0.375 CA 1.422 25 residues pruned to eliminate duplicates Z: 24 15.881 2.014 0.382 0.409 0.913 0.522 CA 1.434 24 residues pruned to eliminate duplicates Z: 22 15.719 2.077 0.419 0.355 0.857 0.476 CA 1.588 22 residues pruned to eliminate duplicates Z: 24 14.836 1.973 0.393 0.417 0.870 0.522 CA 1.412 24 residues pruned to eliminate duplicates Z: 22 11.553 1.993 0.318 0.304 0.810 0.476 CB 1.475 22 residues pruned to eliminate duplicates Z: 23 13.524 2.017 0.365 0.351 0.864 0.545 CB 1.426 23 residues pruned to eliminate duplicates Z: 22 15.799 2.019 0.416 0.351 0.905 0.381 CA 1.566 22 residues pruned to eliminate duplicates Z: 22 15.296 2.013 0.524 0.426 0.905 0.476 CA 1.298 22 residues pruned to eliminate duplicates Z: 23 15.327 2.043 0.359 0.337 0.909 0.364 CA 1.547 23 residues pruned to eliminate duplicates Z: 21 15.832 2.036 0.446 0.407 0.900 0.450 CB 1.473 21 residues pruned to eliminate duplicates Z: 18 13.548 2.037 0.488 0.369 0.941 0.706 CB 1.326 18 residues pruned to eliminate duplicates Z: 24 14.234 1.979 0.384 0.390 0.826 0.217 CA 1.473 24 residues pruned to eliminate duplicates Z: 25 11.456 1.937 0.143 0.329 0.875 0.333 CA 1.458 25 residues pruned to eliminate duplicates Z: 28 13.963 1.974 0.342 0.360 0.852 0.407 CA 1.384 27 residues pruned to eliminate duplicates Z: 6 3.106 1.644 0.267 0.333 0.800 0.400 CB 1.000 6 residues pruned to eliminate duplicates Z: 28 21.834 2.105 0.600 0.500 0.889 0.630 CA 1.403 28 residues pruned to eliminate duplicates Z: 6 8.280 1.742 0.705 0.432 1.000 0.600 N 1.338 6 residues pruned to eliminate duplicates Z: 24 21.578 2.108 0.629 0.539 0.870 0.696 CB 1.451 24 residues pruned to eliminate duplicates Z: 23 23.265 2.167 0.568 0.566 0.955 0.727 CA 1.434 23 residues pruned to eliminate duplicates Z: 24 22.196 2.127 0.541 0.522 0.957 0.652 CA 1.444 24 residues pruned to eliminate duplicates Z: 25 20.851 2.071 0.643 0.490 0.917 0.583 CB 1.378 25 residues pruned to eliminate duplicates Z: 23 20.171 2.096 0.409 0.523 0.955 0.591 CB 1.490 23 residues pruned to eliminate duplicates Z: 23 23.465 2.177 0.595 0.525 0.955 0.727 CA 1.473 23 residues pruned to eliminate duplicates Z: 29 22.765 2.043 0.659 0.468 0.929 0.536 CA 1.413 29 residues pruned to eliminate duplicates Z: 28 18.265 2.100 0.546 0.453 0.852 0.519 CB 1.334 28 residues pruned to eliminate duplicates Z: 29 23.757 2.098 0.698 0.507 0.893 0.714 CB 1.401 29 residues pruned to eliminate duplicates Z: 6 2.560 1.449 0.105 0.468 0.800 0.800 CA 0.923 6 residues pruned to eliminate duplicates Z: 23 23.872 2.169 0.596 0.510 0.955 0.682 CB 1.525 23 residues pruned to eliminate duplicates Z: 8 5.556 1.770 0.533 0.346 0.857 0.571 CA 1.067 8 residues pruned to eliminate duplicates Z: 9 6.727 1.799 0.460 0.477 0.750 0.375 CB 1.235 9 residues pruned to eliminate duplicates Z: 11 10.199 1.882 0.553 0.464 0.900 0.500 CB 1.272 15 residues pruned to eliminate duplicates Z: 7 3.084 1.481 0.728 0.430 0.667 0.667 CB 0.794 7 residues pruned to eliminate duplicates Z: 18 9.521 1.802 0.470 0.379 0.824 0.353 CB 1.204 27 residues pruned to eliminate duplicates Z: 6 5.345 1.589 0.464 0.383 1.000 0.800 CA 1.164 Z: 7 8.495 1.713 1.065 0.472 0.833 0.500 CA 1.210 7 residues pruned to eliminate duplicates Z: 10 8.762 2.275 0.237 0.455 0.667 0.444 CB 1.631 10 residues pruned to eliminate duplicates Z: 15 8.638 2.014 0.218 0.370 0.786 0.429 CB 1.376 19 residues pruned to eliminate duplicates Z: 6 3.028 1.490 0.396 0.306 0.800 0.200 CB 1.010 6 residues pruned to eliminate duplicates Z: 31 13.520 2.124 0.276 0.282 0.767 0.300 CB 1.518 34 residues pruned to eliminate duplicates Z: 6 5.087 1.706 0.449 0.289 0.800 0.600 C 1.459 6 residues pruned to eliminate duplicates Z: 10 4.909 2.115 0.115 0.168 0.889 0.222 CB 1.168 10 residues pruned to eliminate duplicates Z: 16 6.212 2.092 0.180 0.162 0.800 0.400 CB 1.226 16 residues pruned to eliminate duplicates Z: 13 8.433 2.219 0.158 0.195 0.833 0.500 CB 1.635 13 residues pruned to eliminate duplicates Z: 14 5.918 2.052 0.054 0.243 0.769 0.385 CB 1.328 14 residues pruned to eliminate duplicates Z: 17 6.835 2.042 0.276 0.211 0.750 0.312 CB 1.230 17 residues pruned to eliminate duplicates Z: 15 8.040 2.067 0.309 0.174 0.786 0.500 CB 1.498 15 residues pruned to eliminate duplicates Z: 20 18.293 2.083 0.597 0.523 0.895 0.632 CB 1.379 20 residues pruned to eliminate duplicates Z: 35 29.871 2.194 0.526 0.590 0.882 0.706 CB 1.591 35 residues pruned to eliminate duplicates Z: 28 17.347 2.132 0.488 0.330 0.815 0.519 CA 1.555 28 residues pruned to eliminate duplicates Z: 42 29.442 2.212 0.605 0.510 0.854 0.634 CB 1.501 42 residues pruned to eliminate duplicates Z: 24 24.787 2.146 0.474 0.588 0.957 0.739 CA 1.569 24 residues pruned to eliminate duplicates Z: 45 29.872 2.184 0.614 0.409 0.909 0.568 CB 1.546 45 residues pruned to eliminate duplicates Z: 21 27.877 2.247 0.536 0.666 0.950 0.700 CA 1.630 21 residues pruned to eliminate duplicates Z: 24 24.844 2.144 0.475 0.670 0.913 0.739 CB 1.533 24 residues pruned to eliminate duplicates Z: 26 29.202 2.099 0.533 0.651 1.000 0.640 CB 1.577 26 residues pruned to eliminate duplicates Z: 24 31.794 2.165 0.553 0.747 1.000 0.739 CB 1.580 24 residues pruned to eliminate duplicates Z: 24 30.817 2.208 0.462 0.713 1.000 0.739 CB 1.642 24 residues pruned to eliminate duplicates Z: 49 26.615 2.140 0.391 0.452 0.896 0.521 CB 1.512 49 residues pruned to eliminate duplicates Z: 18 20.655 2.158 0.538 0.539 0.941 0.706 CA 1.543 18 residues pruned to eliminate duplicates Z: 24 28.994 2.175 0.460 0.649 1.000 0.565 CB 1.658 24 residues pruned to eliminate duplicates Z: 22 33.128 2.271 0.567 0.662 1.000 0.714 CB 1.747 22 residues pruned to eliminate duplicates Z: 30 28.687 2.062 0.526 0.648 0.931 0.724 CB 1.583 30 residues pruned to eliminate duplicates Z: 50 29.638 2.163 0.493 0.461 0.898 0.571 CB 1.518 50 residues pruned to eliminate duplicates Z: 36 33.720 2.229 0.601 0.592 0.914 0.686 CB 1.599 36 residues pruned to eliminate duplicates Z: 26 33.314 2.145 0.574 0.715 0.960 0.720 CB 1.691 28 residues pruned to eliminate duplicates Z: 16 24.308 2.239 0.669 0.865 0.933 0.667 CB 1.318 16 residues pruned to eliminate duplicates Z: 25 31.452 2.178 0.573 0.678 1.000 0.750 CB 1.591 25 residues pruned to eliminate duplicates Z: 44 34.309 2.180 0.685 0.510 0.930 0.651 CB 1.515 44 residues pruned to eliminate duplicates Z: 50 31.132 2.168 0.591 0.467 0.857 0.633 CB 1.556 50 residues pruned to eliminate duplicates Z: 21 23.040 1.899 0.804 0.912 0.900 0.500 CB 1.183 21 residues pruned to eliminate duplicates Z: 24 28.740 2.197 0.676 0.621 0.913 0.522 CA 1.589 24 residues pruned to eliminate duplicates Z: 49 33.247 2.224 0.615 0.430 0.917 0.542 CB 1.567 37 residues pruned to eliminate duplicates Z: 6 3.759 1.701 0.540 0.229 1.000 0.600 CB 0.879 Z: 34 17.061 2.111 0.536 0.404 0.788 0.545 CB 1.287 41 residues pruned to eliminate duplicates Z: 6 5.437 1.568 0.929 0.240 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 36 20.813 2.138 0.526 0.416 0.800 0.600 CA 1.472 14 residues pruned to eliminate duplicates Z: 6 4.304 1.805 0.197 0.417 0.800 0.200 CB 1.214 Z: 40 25.559 2.113 0.692 0.445 0.897 0.462 CB 1.350 40 residues pruned to eliminate duplicates Z: 52 27.638 2.159 0.515 0.390 0.863 0.529 CB 1.542 52 residues pruned to eliminate duplicates Z: 23 16.696 2.188 0.774 0.261 0.864 0.682 CB 1.396 23 residues pruned to eliminate duplicates Z: 55 33.300 2.198 0.587 0.469 0.889 0.574 CB 1.507 59 residues pruned to eliminate duplicates Z: 9 12.008 1.918 0.344 0.844 1.000 0.500 CB 1.225 9 residues pruned to eliminate duplicates Z: 33 20.467 2.144 0.734 0.386 0.844 0.469 CB 1.303 33 residues pruned to eliminate duplicates Z: 23 15.758 2.055 0.649 0.419 0.818 0.318 CB 1.319 23 residues pruned to eliminate duplicates Z: 21 19.635 2.172 0.733 0.487 0.850 0.450 CB 1.391 21 residues pruned to eliminate duplicates Z: 23 12.488 2.006 0.617 0.336 0.727 0.455 CB 1.350 23 residues pruned to eliminate duplicates Z: 10 10.387 2.065 0.811 0.182 1.000 0.444 CB 1.357 12 residues pruned to eliminate duplicates Z: 6 6.420 1.582 1.110 0.474 1.000 0.800 CB 0.883 6 residues pruned to eliminate duplicates Z: 10 9.976 2.001 0.695 0.175 1.000 0.444 CB 1.452 10 residues pruned to eliminate duplicates Z: 12 7.139 1.886 0.695 0.144 0.909 0.364 CB 1.150 12 residues pruned to eliminate duplicates Z: 11 8.094 1.980 0.627 0.162 0.900 0.400 CB 1.334 11 residues pruned to eliminate duplicates Z: 22 15.516 2.088 0.716 0.331 0.810 0.619 CB 1.403 21 residues pruned to eliminate duplicates Z: 22 17.187 2.076 0.826 0.350 0.857 0.571 CB 1.358 22 residues pruned to eliminate duplicates Z: 27 11.513 2.037 0.519 0.361 0.769 0.538 CB 1.101 27 residues pruned to eliminate duplicates Z: 13 13.379 2.120 0.661 0.524 0.750 0.583 CA 1.429 13 residues pruned to eliminate duplicates Z: 18 13.984 1.949 0.587 0.413 0.882 0.412 CA 1.360 18 residues pruned to eliminate duplicates Z: 16 11.919 1.995 0.704 0.422 0.733 0.400 CA 1.339 16 residues pruned to eliminate duplicates Z: 13 9.753 2.025 0.673 0.479 0.750 0.500 CA 1.131 13 residues pruned to eliminate duplicates Z: 23 15.407 2.037 0.684 0.329 0.864 0.455 CB 1.338 24 residues pruned to eliminate duplicates Z: 6 3.692 1.924 0.684 0.277 0.800 0.200 CA 0.820 6 residues pruned to eliminate duplicates Z: 22 16.307 2.107 0.889 0.333 0.810 0.571 CB 1.326 22 residues pruned to eliminate duplicates Z: 6 5.749 1.473 1.165 0.439 0.800 0.400 N 1.073 6 residues pruned to eliminate duplicates Z: 19 17.368 2.189 0.899 0.309 0.889 0.500 CB 1.370 19 residues pruned to eliminate duplicates Z: 18 13.050 2.159 0.750 0.401 0.765 0.529 CB 1.216 18 residues pruned to eliminate duplicates Z: 71 42.110 2.136 0.761 0.550 0.900 0.500 CB 1.415 71 residues pruned to eliminate duplicates Z: 64 46.490 2.253 0.655 0.563 0.905 0.635 CB 1.633 64 residues pruned to eliminate duplicates Z: 62 42.650 2.250 0.555 0.550 0.934 0.623 CB 1.590 62 residues pruned to eliminate duplicates Z: 62 43.409 2.202 0.568 0.580 0.951 0.672 CB 1.568 62 residues pruned to eliminate duplicates Z: 67 41.189 2.183 0.581 0.543 0.924 0.636 CB 1.524 67 residues pruned to eliminate duplicates Z: 66 40.543 2.228 0.470 0.544 0.908 0.554 CB 1.619 66 residues pruned to eliminate duplicates Z: 34 36.575 2.226 0.464 0.665 1.000 0.697 CA 1.677 34 residues pruned to eliminate duplicates Z: 61 41.739 2.201 0.572 0.585 0.917 0.533 CB 1.567 61 residues pruned to eliminate duplicates Z: 56 41.715 2.221 0.475 0.606 0.945 0.655 CB 1.642 56 residues pruned to eliminate duplicates Z: 51 38.604 2.227 0.452 0.611 0.940 0.620 CB 1.616 51 residues pruned to eliminate duplicates Z: 54 41.456 2.238 0.514 0.584 0.981 0.604 CB 1.579 54 residues pruned to eliminate duplicates Z: 79 41.035 2.178 0.503 0.520 0.885 0.487 CB 1.572 88 residues pruned to eliminate duplicates Z: 22 33.769 2.326 0.302 0.876 1.000 0.810 CA 1.768 22 residues pruned to eliminate duplicates Z: 70 37.582 2.173 0.444 0.534 0.928 0.652 CB 1.504 70 residues pruned to eliminate duplicates Z: 55 44.446 2.248 0.580 0.584 0.963 0.537 CB 1.632 55 residues pruned to eliminate duplicates Z: 75 46.921 2.216 0.574 0.572 0.919 0.514 CB 1.587 76 residues pruned to eliminate duplicates Z: 20 32.797 2.350 0.260 0.917 1.000 0.842 CB 1.793 20 residues pruned to eliminate duplicates Z: 66 43.133 2.225 0.517 0.554 0.954 0.585 CB 1.576 66 residues pruned to eliminate duplicates Z: 70 38.107 2.183 0.501 0.545 0.913 0.623 CB 1.468 70 residues pruned to eliminate duplicates Z: 24 23.455 2.003 0.543 0.633 0.870 0.696 CA 1.605 24 residues pruned to eliminate duplicates Z: 25 25.491 2.176 0.573 0.590 0.958 0.667 CA 1.456 25 residues pruned to eliminate duplicates Z: 64 41.354 2.214 0.481 0.544 0.952 0.571 CB 1.598 64 residues pruned to eliminate duplicates Z: 38 35.892 2.185 0.510 0.676 0.946 0.595 CA 1.608 38 residues pruned to eliminate duplicates Z: 56 37.158 2.194 0.476 0.583 0.891 0.564 CB 1.604 56 residues pruned to eliminate duplicates Z: 62 40.355 2.265 0.518 0.520 0.934 0.541 CB 1.577 50 residues pruned to eliminate duplicates Z: 21 41.565 2.374 0.535 0.892 1.000 0.600 CB 1.832 21 residues pruned to eliminate duplicates Z: 74 40.494 2.183 0.606 0.515 0.918 0.575 CB 1.451 74 residues pruned to eliminate duplicates Z: 62 37.915 2.204 0.538 0.502 0.918 0.590 CB 1.556 62 residues pruned to eliminate duplicates Z: 73 48.148 2.194 0.664 0.560 0.931 0.556 CB 1.576 73 residues pruned to eliminate duplicates Z: 58 36.862 2.178 0.498 0.543 0.930 0.474 CB 1.543 58 residues pruned to eliminate duplicates Z: 50 47.713 2.266 0.726 0.596 0.980 0.429 CB 1.623 18 residues pruned to eliminate duplicates Z: 21 46.598 2.315 0.889 0.896 1.000 0.600 CB 1.706 21 residues pruned to eliminate duplicates Z: 66 43.462 2.230 0.660 0.522 0.923 0.523 CB 1.545 57 residues pruned to eliminate duplicates Z: 13 17.254 2.142 0.517 0.657 0.917 0.250 CA 1.445 13 residues pruned to eliminate duplicates Z: 54 42.491 2.261 0.577 0.567 0.962 0.547 CB 1.594 54 residues pruned to eliminate duplicates Z: 46 40.277 2.227 0.601 0.623 0.933 0.511 CB 1.607 46 residues pruned to eliminate duplicates Z: 75 42.707 2.195 0.563 0.559 0.892 0.473 CB 1.531 81 residues pruned to eliminate duplicates Z: 9 13.043 2.144 0.304 0.743 0.875 0.750 CB 1.515 9 residues pruned to eliminate duplicates Z: 61 41.427 2.250 0.558 0.561 0.950 0.567 CB 1.514 61 residues pruned to eliminate duplicates Z: 39 25.579 2.172 0.548 0.468 0.868 0.395 CB 1.467 39 residues pruned to eliminate duplicates Z: 82 41.124 2.136 0.584 0.509 0.864 0.432 CB 1.549 72 residues pruned to eliminate duplicates Z: 11 16.272 2.007 0.488 0.867 1.000 0.700 CB 1.260 Z: 21 20.340 2.213 0.496 0.450 0.950 0.400 CB 1.522 Z: 18 23.027 2.325 0.559 0.480 1.000 0.412 CB 1.573 39 residues pruned to eliminate duplicates Z: 31 23.121 2.131 0.591 0.467 0.900 0.467 CB 1.431 31 residues pruned to eliminate duplicates Z: 21 20.826 2.228 0.584 0.435 0.900 0.250 CB 1.568 21 residues pruned to eliminate duplicates Z: 13 12.683 2.201 0.716 0.292 0.833 0.417 CB 1.469 13 residues pruned to eliminate duplicates Z: 23 13.055 2.113 0.760 0.245 0.818 0.364 CB 1.228 23 residues pruned to eliminate duplicates Z: 33 22.075 2.168 0.567 0.373 0.875 0.344 CB 1.504 33 residues pruned to eliminate duplicates Z: 32 22.512 2.170 0.630 0.374 0.903 0.452 CB 1.448 32 residues pruned to eliminate duplicates Z: 33 27.170 2.181 0.690 0.517 0.906 0.438 CB 1.415 33 residues pruned to eliminate duplicates Z: 34 28.057 2.171 0.699 0.481 0.970 0.515 CB 1.393 34 residues pruned to eliminate duplicates Z: 11 18.796 2.357 0.881 0.352 1.000 0.500 CB 1.574 11 residues pruned to eliminate duplicates Z: 40 24.161 2.153 0.561 0.443 0.846 0.436 CB 1.442 40 residues pruned to eliminate duplicates Z: 23 17.308 2.081 0.749 0.437 0.818 0.500 CB 1.322 34 residues pruned to eliminate duplicates Z: 7 5.352 1.972 0.261 0.604 0.500 0.333 N 1.592 7 residues pruned to eliminate duplicates Z: 18 9.322 1.867 0.645 0.423 0.647 0.353 CB 1.232 18 residues pruned to eliminate duplicates Z: 41 26.087 2.126 0.620 0.505 0.850 0.425 CB 1.402 41 residues pruned to eliminate duplicates Z: 8 4.100 1.939 -0.011 0.409 0.571 0.143 O 1.555 8 residues pruned to eliminate duplicates Z: 14 7.825 2.038 0.404 0.445 0.538 0.308 CB 1.492 14 residues pruned to eliminate duplicates Z: 14 7.884 1.906 0.123 0.449 0.846 0.462 CB 1.273 14 residues pruned to eliminate duplicates Z: 8 10.635 2.032 0.193 0.539 1.000 0.857 CA 1.596 Z: 10 8.329 1.810 0.201 0.517 1.000 0.444 CB 1.256 9 residues pruned to eliminate duplicates Z: 7 4.636 1.607 -0.026 0.532 1.000 0.500 CA 1.171 Z: 13 5.873 1.933 0.164 0.318 0.667 0.583 CA 1.382 13 residues pruned to eliminate duplicates Z: 11 9.435 1.882 0.378 0.459 0.900 0.500 CB 1.332 11 residues pruned to eliminate duplicates Z: 10 4.683 1.810 0.561 0.302 0.667 0.444 CB 1.034 10 residues pruned to eliminate duplicates Z: 33 18.161 2.005 0.387 0.390 0.906 0.594 CB 1.432 33 residues pruned to eliminate duplicates Z: 33 18.957 2.069 0.329 0.392 0.875 0.500 CA 1.562 48 residues pruned to eliminate duplicates Z: 6 2.888 1.853 -0.129 0.223 0.800 0.200 CB 1.384 6 residues pruned to eliminate duplicates Z: 27 11.626 1.893 0.268 0.294 0.846 0.462 CB 1.414 27 residues pruned to eliminate duplicates Z: 23 17.871 2.033 0.415 0.422 0.909 0.682 CA 1.579 23 residues pruned to eliminate duplicates Z: 27 14.926 1.996 0.378 0.358 0.846 0.538 CA 1.467 27 residues pruned to eliminate duplicates Z: 21 20.667 2.096 0.536 0.451 0.950 0.700 CA 1.588 21 residues pruned to eliminate duplicates Z: 21 15.953 2.050 0.565 0.377 0.850 0.650 CB 1.492 21 residues pruned to eliminate duplicates Z: 25 16.680 2.001 0.505 0.383 0.875 0.667 CB 1.463 25 residues pruned to eliminate duplicates Z: 21 18.597 2.056 0.523 0.455 0.900 0.800 CB 1.545 20 residues pruned to eliminate duplicates 7 1.593 1.414 0.007 0.371 1.000 0.667 CA 0.524 ? Z: 6 3.641 1.327 0.571 0.351 1.000 0.400 CA 0.917 6 residues pruned to eliminate duplicates Z: 22 18.850 2.122 0.457 0.430 0.905 0.619 CA 1.581 23 residues pruned to eliminate duplicates Z: 7 3.687 1.440 0.582 0.482 1.000 0.667 CB 0.673 7 residues pruned to eliminate duplicates Z: 22 16.891 2.095 0.416 0.392 0.905 0.619 CA 1.539 22 residues pruned to eliminate duplicates Z: 21 16.038 2.056 0.426 0.413 0.900 0.700 CA 1.489 21 residues pruned to eliminate duplicates Z: 25 13.289 2.023 0.331 0.340 0.833 0.542 CB 1.439 25 residues pruned to eliminate duplicates Z: 20 22.579 1.970 0.754 0.911 0.842 0.105 CB 1.262 20 residues pruned to eliminate duplicates Z: 52 36.344 2.036 0.672 0.653 0.922 0.510 CB 1.407 52 residues pruned to eliminate duplicates Z: 53 39.412 2.101 0.718 0.641 0.904 0.577 CB 1.468 53 residues pruned to eliminate duplicates Z: 54 39.122 2.087 0.678 0.657 0.868 0.604 CB 1.527 55 residues pruned to eliminate duplicates Z: 15 15.170 1.887 0.432 0.731 1.000 0.857 CA 1.219 15 residues pruned to eliminate duplicates Z: 51 40.190 2.056 0.761 0.667 0.940 0.480 CB 1.431 51 residues pruned to eliminate duplicates Z: 20 22.475 2.080 0.617 0.672 0.947 0.526 CA 1.381 20 residues pruned to eliminate duplicates Z: 9 3.571 1.783 0.010 0.369 0.750 0.375 CB 1.076 9 residues pruned to eliminate duplicates Z: 22 25.843 2.067 0.772 0.602 1.000 0.667 CB 1.398 22 residues pruned to eliminate duplicates Z: 54 36.845 2.062 0.614 0.619 0.868 0.585 CB 1.566 54 residues pruned to eliminate duplicates Z: 19 20.697 2.012 0.814 0.583 0.944 0.278 CB 1.306 19 residues pruned to eliminate duplicates Z: 24 22.142 1.990 0.793 0.531 0.913 0.435 CA 1.374 24 residues pruned to eliminate duplicates Z: 28 29.166 1.981 1.086 0.489 0.926 0.370 CA 1.484 28 residues pruned to eliminate duplicates Z: 66 40.750 2.053 0.784 0.605 0.892 0.431 CB 1.399 66 residues pruned to eliminate duplicates Z: 42 29.676 1.985 0.856 0.546 0.902 0.463 CA 1.332 42 residues pruned to eliminate duplicates Z: 24 26.295 2.038 0.915 0.599 1.000 0.478 CB 1.279 24 residues pruned to eliminate duplicates Z: 20 27.650 2.054 0.953 0.679 0.947 0.474 CB 1.416 20 residues pruned to eliminate duplicates Z: 11 13.755 2.006 0.977 0.522 0.900 0.400 CA 1.193 11 residues pruned to eliminate duplicates Z: 63 42.725 2.120 0.603 0.578 0.935 0.516 CA 1.584 63 residues pruned to eliminate duplicates Z: 34 28.131 2.014 0.795 0.644 0.909 0.515 CB 1.302 34 residues pruned to eliminate duplicates Z: 63 40.427 2.127 0.542 0.607 0.919 0.629 CA 1.538 63 residues pruned to eliminate duplicates Z: 63 40.362 2.093 0.799 0.549 0.871 0.355 CB 1.490 63 residues pruned to eliminate duplicates Z: 44 30.931 2.021 0.772 0.560 0.907 0.442 CB 1.370 44 residues pruned to eliminate duplicates Z: 51 32.828 2.086 0.601 0.554 0.880 0.660 CB 1.499 51 residues pruned to eliminate duplicates Z: 13 14.680 2.142 0.930 0.425 0.833 0.500 CA 1.330 13 residues pruned to eliminate duplicates Z: 6 4.428 1.831 0.835 0.193 0.800 0.000 CA 1.062 6 residues pruned to eliminate duplicates Z: 17 13.819 2.041 0.898 0.445 0.812 0.500 CA 1.161 17 residues pruned to eliminate duplicates Z: 14 11.198 2.012 0.904 0.363 0.769 0.462 CA 1.222 14 residues pruned to eliminate duplicates Z: 40 34.945 2.123 0.617 0.606 0.974 0.769 CA 1.513 40 residues pruned to eliminate duplicates Z: 19 10.304 1.961 0.818 0.374 0.722 0.500 CA 1.079 19 residues pruned to eliminate duplicates Z: 16 10.279 2.002 0.799 0.350 0.800 0.467 CA 1.083 17 residues pruned to eliminate duplicates Z: 6 3.073 1.580 0.449 0.361 0.800 0.200 N 0.872 6 residues pruned to eliminate duplicates Z: 43 25.870 2.115 0.523 0.521 0.857 0.643 CA 1.417 43 residues pruned to eliminate duplicates Z: 38 27.080 2.034 0.479 0.593 0.892 0.703 CA 1.518 38 residues pruned to eliminate duplicates Z: 39 33.025 2.167 0.604 0.592 0.947 0.737 CA 1.490 39 residues pruned to eliminate duplicates Z: 49 28.152 2.021 0.558 0.513 0.896 0.646 CB 1.423 49 residues pruned to eliminate duplicates Z: 32 34.124 2.134 0.637 0.630 0.968 0.645 CA 1.604 32 residues pruned to eliminate duplicates Z: 42 28.311 2.081 0.507 0.568 0.951 0.707 CA 1.387 42 residues pruned to eliminate duplicates Z: 34 29.406 2.145 0.408 0.645 0.939 0.758 CA 1.576 34 residues pruned to eliminate duplicates Z: 21 17.407 2.116 0.369 0.419 0.900 0.700 CB 1.624 21 residues pruned to eliminate duplicates Z: 34 28.064 2.078 0.356 0.620 0.970 0.758 CA 1.596 34 residues pruned to eliminate duplicates Z: 41 24.358 2.118 0.383 0.566 0.850 0.650 CA 1.450 41 residues pruned to eliminate duplicates Z: 27 26.013 2.102 0.383 0.724 0.962 0.846 CA 1.492 27 residues pruned to eliminate duplicates Z: 37 32.953 2.176 0.626 0.588 0.917 0.722 CA 1.556 37 residues pruned to eliminate duplicates Z: 40 34.040 2.120 0.652 0.582 0.949 0.667 CA 1.516 40 residues pruned to eliminate duplicates Z: 21 21.458 2.037 0.269 0.913 0.900 0.850 CB 1.460 21 residues pruned to eliminate duplicates Z: 35 34.744 2.119 0.649 0.646 0.912 0.676 CA 1.631 35 residues pruned to eliminate duplicates Z: 29 29.456 2.101 0.512 0.678 0.929 0.786 CB 1.602 29 residues pruned to eliminate duplicates Z: 32 29.583 2.140 0.428 0.621 0.968 0.677 CA 1.603 32 residues pruned to eliminate duplicates Z: 38 24.462 2.023 0.490 0.563 0.865 0.595 CB 1.452 38 residues pruned to eliminate duplicates Z: 33 30.496 2.159 0.408 0.660 0.938 0.531 CA 1.632 33 residues pruned to eliminate duplicates Z: 40 34.834 2.137 0.689 0.564 0.949 0.487 CA 1.531 40 residues pruned to eliminate duplicates Z: 41 33.879 2.151 0.648 0.571 0.875 0.600 CA 1.612 41 residues pruned to eliminate duplicates Z: 39 35.641 2.135 0.788 0.583 0.868 0.579 CB 1.610 39 residues pruned to eliminate duplicates Z: 32 34.501 2.153 0.645 0.623 0.935 0.581 CB 1.666 32 residues pruned to eliminate duplicates Z: 40 36.415 2.150 0.807 0.596 0.872 0.462 CB 1.571 40 residues pruned to eliminate duplicates Z: 21 12.995 1.948 0.625 0.640 0.650 0.250 CB 1.240 21 residues pruned to eliminate duplicates Z: 39 36.040 2.149 0.787 0.613 0.868 0.368 CB 1.575 39 residues pruned to eliminate duplicates Z: 19 14.018 1.925 0.578 0.403 0.833 0.500 CB 1.445 19 residues pruned to eliminate duplicates Z: 22 14.886 1.821 0.650 0.389 0.905 0.619 CA 1.344 19 residues pruned to eliminate duplicates Z: 20 13.011 1.901 0.454 0.431 0.842 0.632 CA 1.378 20 residues pruned to eliminate duplicates Z: 18 12.141 1.919 0.427 0.443 0.824 0.647 CA 1.386 18 residues pruned to eliminate duplicates Z: 13 10.362 1.888 0.192 0.529 0.917 0.417 CA 1.409 13 residues pruned to eliminate duplicates Z: 13 13.363 1.991 0.274 0.522 1.000 0.583 CB 1.487 13 residues pruned to eliminate duplicates Z: 12 10.432 1.817 0.224 0.475 0.909 0.818 CB 1.595 12 residues pruned to eliminate duplicates Z: 13 13.756 1.954 0.321 0.534 1.000 0.750 CA 1.489 13 residues pruned to eliminate duplicates Z: 14 12.071 1.963 0.297 0.586 0.923 0.538 CA 1.311 14 residues pruned to eliminate duplicates Z: 16 12.361 1.934 0.408 0.460 0.933 0.600 CA 1.307 16 residues pruned to eliminate duplicates Z: 17 13.838 1.947 0.364 0.499 0.938 0.625 CA 1.391 17 residues pruned to eliminate duplicates Z: 18 15.128 1.879 0.554 0.467 0.882 0.647 CA 1.472 19 residues pruned to eliminate duplicates Z: 6 5.177 1.442 1.125 0.557 0.800 0.600 CA 0.894 6 residues pruned to eliminate duplicates Z: 15 9.761 1.955 0.601 0.459 0.786 0.571 CB 1.106 15 residues pruned to eliminate duplicates Z: 15 7.651 1.836 0.557 0.359 0.786 0.571 CA 1.060 15 residues pruned to eliminate duplicates Z: 15 10.546 1.953 0.678 0.397 0.786 0.571 CB 1.220 15 residues pruned to eliminate duplicates Z: 29 16.491 1.930 0.495 0.459 0.821 0.464 CB 1.371 19 residues pruned to eliminate duplicates Z: 6 3.252 1.752 0.022 0.540 0.800 0.600 CB 0.977 6 residues pruned to eliminate duplicates Z: 12 6.606 1.934 0.268 0.392 0.818 0.545 CB 1.113 12 residues pruned to eliminate duplicates Z: 14 8.458 1.930 0.360 0.467 0.846 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 37 14.297 1.977 0.434 0.361 0.778 0.611 CA 1.254 37 residues pruned to eliminate duplicates Z: 26 14.384 2.024 0.333 0.431 0.880 0.520 CA 1.302 39 residues pruned to eliminate duplicates Z: 29 12.469 2.039 0.188 0.374 0.893 0.500 CA 1.247 29 residues pruned to eliminate duplicates Z: 12 6.431 2.022 -0.004 0.424 0.909 0.545 CA 1.145 12 residues pruned to eliminate duplicates Z: 29 14.546 1.995 0.258 0.405 0.893 0.714 CA 1.356 29 residues pruned to eliminate duplicates Z: 32 12.262 1.924 0.164 0.388 0.774 0.677 CA 1.430 9 residues pruned to eliminate duplicates Z: 6 6.856 1.744 0.329 0.509 1.000 0.800 CA 1.311 6 residues pruned to eliminate duplicates Z: 30 13.774 1.974 0.210 0.407 0.897 0.517 CA 1.316 32 residues pruned to eliminate duplicates Z: 6 6.195 1.749 0.253 0.472 1.000 0.600 N 1.300 6 residues pruned to eliminate duplicates Z: 21 13.987 2.026 0.316 0.400 0.900 0.700 CB 1.449 21 residues pruned to eliminate duplicates Z: 28 13.365 1.947 0.270 0.422 0.852 0.481 CA 1.325 28 residues pruned to eliminate duplicates Z: 17 10.214 1.955 0.531 0.404 0.688 0.500 CA 1.373 17 residues pruned to eliminate duplicates Z: 22 10.768 2.048 0.201 0.379 0.810 0.381 CA 1.343 22 residues pruned to eliminate duplicates Z: 15 10.949 2.084 0.386 0.432 0.786 0.500 CB 1.384 16 residues pruned to eliminate duplicates Z: 6 3.835 1.631 0.260 0.477 1.000 0.800 CB 0.854 6 residues pruned to eliminate duplicates Z: 23 12.601 1.953 0.300 0.461 0.864 0.500 CB 1.274 23 residues pruned to eliminate duplicates Z: 37 13.635 1.878 0.400 0.355 0.806 0.583 CA 1.255 34 residues pruned to eliminate duplicates Z: 6 4.790 1.400 0.763 0.485 1.000 1.000 CA 0.881 Z: 10 2.774 1.359 1.122 0.286 0.556 0.444 N 0.735 10 residues pruned to eliminate duplicates Z: 13 7.362 1.772 0.449 0.386 0.667 0.500 N 1.402 8 residues pruned to eliminate duplicates 586 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 12 D: 14 E: 9 F: 8 G: 36 H: 8 I: 13 J: 7 K: 20 L: 11 M: 60 N: 51 O: 33 P: 46 Q: 7 R: 20 S: 61 T: 9 U: 41 V: 6 W: 53 X: 35 Y: 13 CC for partial structure against native data = 21.65 % ------------------------------------------------------------------------------ Global autotracing cycle 19 = 0.300, Contrast = 0.397, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.534, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.552, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.556, Connect. = 0.756 for dens.mod. cycle 7 = 0.300, Contrast = 0.558, Connect. = 0.758 for dens.mod. cycle 8 = 0.300, Contrast = 0.560, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.561, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6698 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1259 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 28.583 2.178 0.417 0.882 1.000 0.800 CB 1.499 B: 56 27.544 2.089 0.651 0.361 0.818 0.564 CA 1.528 C: 16 19.845 2.182 0.315 0.878 1.000 0.800 CB 1.296 16 residues pruned to eliminate duplicates D: 22 32.126 2.244 0.415 0.876 0.952 0.667 CA 1.684 22 residues pruned to eliminate duplicates E: 10 27.377 2.301 0.768 0.882 0.889 0.556 CB 1.827 10 residues pruned to eliminate duplicates F: 11 11.776 1.903 0.470 0.571 1.000 0.500 CA 1.243 G: 8 7.840 2.009 0.140 0.633 0.857 0.714 CB 1.333 H: 21 37.312 2.337 0.452 0.876 1.000 0.750 CB 1.787 21 residues pruned to eliminate duplicates I: 22 31.847 2.238 0.315 0.879 1.000 0.857 CA 1.712 22 residues pruned to eliminate duplicates J: 10 11.096 1.985 0.183 0.875 0.889 0.667 CB 1.288 K: 22 24.756 1.960 0.338 0.912 0.952 0.714 CB 1.531 L: 53 28.678 2.097 0.607 0.390 0.885 0.519 CB 1.498 56 residues pruned to eliminate duplicates M: 19 19.188 2.021 0.396 0.899 0.944 0.778 CB 1.214 19 residues pruned to eliminate duplicates N: 18 23.349 2.084 0.690 0.902 0.941 0.765 CB 1.218 18 residues pruned to eliminate duplicates O: 21 37.743 2.321 0.563 0.896 0.950 0.450 CB 1.755 21 residues pruned to eliminate duplicates P: 40 20.948 2.136 0.563 0.474 0.718 0.436 CB 1.436 10 residues pruned to eliminate duplicates Q: 13 15.775 2.262 0.357 0.470 0.917 0.667 CB 1.669 R: 21 35.430 2.299 0.458 0.887 0.950 0.750 CA 1.793 21 residues pruned to eliminate duplicates S: 13 11.675 1.960 0.206 0.531 0.917 0.750 CA 1.510 T: 9 11.128 1.933 0.581 0.667 0.875 0.625 CB 1.261 U: 22 13.895 2.121 0.711 0.330 0.810 0.524 CB 1.243 22 residues pruned to eliminate duplicates V: 19 12.601 1.947 0.411 0.414 0.889 0.500 CB 1.330 W: 11 8.522 1.695 0.460 0.769 0.800 0.800 CA 1.073 X: 11 9.294 1.667 0.531 0.511 1.000 0.400 CB 1.139 Y: 6 11.753 2.022 0.337 0.865 1.000 0.800 CA 1.425 7 residues pruned to eliminate duplicates Z: 11 5.246 1.908 -0.014 0.472 0.800 0.600 CB 1.134 Z: 16 23.155 2.162 0.358 0.908 1.000 1.000 CB 1.446 17 residues pruned to eliminate duplicates Z: 17 37.360 2.297 0.637 0.904 1.000 0.688 CB 1.769 17 residues pruned to eliminate duplicates Z: 12 15.098 1.895 0.664 0.579 0.909 0.727 CB 1.472 11 residues pruned to eliminate duplicates Z: 12 12.040 2.126 0.676 0.428 0.818 0.636 CA 1.342 Z: 20 23.570 1.962 0.419 0.902 1.000 0.579 CA 1.386 Z: 13 16.372 1.877 0.654 0.739 0.833 0.500 CB 1.474 13 residues pruned to eliminate duplicates Z: 21 24.770 2.120 0.152 0.921 1.000 0.900 CA 1.597 21 residues pruned to eliminate duplicates Z: 19 14.957 2.186 0.255 0.393 0.833 0.444 CB 1.726 13 residues pruned to eliminate duplicates Z: 19 24.333 1.923 0.495 0.891 1.000 0.556 CA 1.434 19 residues pruned to eliminate duplicates Z: 21 30.165 2.293 0.194 0.896 1.000 0.950 CA 1.765 21 residues pruned to eliminate duplicates Z: 13 11.188 1.988 0.583 0.470 0.750 0.667 CA 1.410 Z: 13 11.077 1.915 0.284 0.447 1.000 0.750 CB 1.373 13 residues pruned to eliminate duplicates Z: 10 10.325 1.921 0.704 0.462 0.778 0.556 CB 1.405 10 residues pruned to eliminate duplicates Z: 23 19.928 2.082 0.679 0.493 0.909 0.636 CB 1.347 9 residues pruned to eliminate duplicates Z: 29 17.820 2.060 0.568 0.469 0.893 0.571 CB 1.205 28 residues pruned to eliminate duplicates Z: 18 20.770 2.054 0.482 0.854 0.941 0.765 CB 1.299 18 residues pruned to eliminate duplicates Z: 62 36.168 2.198 0.500 0.530 0.918 0.557 CB 1.486 62 residues pruned to eliminate duplicates Z: 6 5.760 1.526 0.216 0.658 1.000 0.600 O 1.199 Z: 22 15.864 1.917 0.719 0.349 0.810 0.619 CB 1.529 19 residues pruned to eliminate duplicates Z: 13 12.473 1.895 0.503 0.541 1.000 0.583 CA 1.215 11 residues pruned to eliminate duplicates Z: 34 29.166 2.106 0.469 0.644 0.909 0.697 CA 1.578 24 residues pruned to eliminate duplicates Z: 18 10.829 1.972 0.246 0.362 0.824 0.471 CB 1.505 18 residues pruned to eliminate duplicates Z: 11 9.728 1.623 0.177 0.766 0.900 0.400 N 1.414 Z: 8 6.771 1.759 0.151 0.600 0.857 0.571 CA 1.341 Z: 56 32.521 2.046 0.527 0.600 0.873 0.582 CA 1.462 47 residues pruned to eliminate duplicates Z: 6 2.035 1.780 0.071 0.300 0.600 0.400 CB 0.994 Z: 12 16.067 1.920 0.569 0.853 0.909 0.455 CA 1.307 10 residues pruned to eliminate duplicates Z: 21 42.167 2.252 0.836 0.887 1.000 0.500 CB 1.644 21 residues pruned to eliminate duplicates Z: 9 9.278 1.838 0.253 0.774 0.750 0.250 CA 1.491 9 residues pruned to eliminate duplicates Z: 13 15.333 1.950 0.480 0.813 0.917 0.667 CA 1.275 11 residues pruned to eliminate duplicates Z: 22 40.434 2.214 0.788 0.873 0.952 0.429 CB 1.704 21 residues pruned to eliminate duplicates Z: 25 17.675 1.983 0.689 0.284 0.917 0.583 CB 1.499 23 residues pruned to eliminate duplicates Z: 21 40.245 2.274 0.645 0.909 1.000 0.700 CA 1.708 21 residues pruned to eliminate duplicates Z: 16 17.642 2.085 0.407 0.867 0.867 0.467 CB 1.311 16 residues pruned to eliminate duplicates Z: 6 5.900 1.922 -0.219 0.661 1.000 0.600 CA 1.513 Z: 35 24.397 2.028 0.459 0.510 0.853 0.441 CB 1.641 36 residues pruned to eliminate duplicates Z: 62 41.034 2.144 0.676 0.601 0.885 0.557 CB 1.500 22 residues pruned to eliminate duplicates Z: 30 25.455 2.000 0.828 0.518 0.931 0.414 CA 1.364 31 residues pruned to eliminate duplicates Z: 10 14.715 1.959 0.638 0.873 0.778 0.667 CA 1.431 10 residues pruned to eliminate duplicates Z: 9 6.303 1.862 0.331 0.335 0.875 0.250 N 1.231 Z: 21 15.310 1.881 0.622 0.453 0.950 0.800 CB 1.239 11 residues pruned to eliminate duplicates Z: 10 12.067 1.814 0.441 0.862 0.889 0.778 CB 1.271 Z: 35 27.323 2.031 0.641 0.491 0.912 0.559 CB 1.557 36 residues pruned to eliminate duplicates Z: 21 9.691 1.974 0.281 0.358 0.750 0.550 CB 1.331 6 residues pruned to eliminate duplicates Z: 25 15.112 1.973 0.364 0.330 0.958 0.708 CB 1.441 25 residues pruned to eliminate duplicates Z: 33 22.969 2.195 0.610 0.339 0.875 0.594 CA 1.565 18 residues pruned to eliminate duplicates Z: 22 39.963 2.262 0.664 0.907 1.000 0.667 CB 1.647 22 residues pruned to eliminate duplicates Z: 31 13.693 1.938 0.276 0.379 0.900 0.600 CB 1.278 Z: 21 19.712 1.853 0.383 0.891 1.000 0.800 CA 1.236 21 residues pruned to eliminate duplicates Z: 34 15.774 1.867 0.429 0.286 0.879 0.545 CA 1.489 25 residues pruned to eliminate duplicates Z: 7 12.375 1.871 0.698 0.790 1.000 0.833 CB 1.233 Z: 17 26.756 2.104 0.505 0.933 1.000 0.812 CB 1.474 17 residues pruned to eliminate duplicates Z: 25 15.248 1.988 0.555 0.372 0.792 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 9 16.115 2.051 0.602 0.910 0.875 0.750 CA 1.405 7 residues pruned to eliminate duplicates Z: 13 9.157 1.806 0.416 0.486 0.750 0.583 CB 1.398 13 residues pruned to eliminate duplicates Z: 7 4.628 1.630 0.188 0.451 0.833 0.500 CA 1.231 Z: 63 44.584 2.241 0.498 0.580 0.968 0.645 CB 1.613 40 residues pruned to eliminate duplicates Z: 9 9.855 1.664 0.318 0.785 0.875 0.750 N 1.413 9 residues pruned to eliminate duplicates Z: 22 36.791 2.183 0.800 0.915 0.905 0.524 CB 1.596 22 residues pruned to eliminate duplicates Z: 54 39.507 2.068 0.702 0.639 0.868 0.528 CB 1.559 22 residues pruned to eliminate duplicates Z: 23 17.049 2.039 0.453 0.386 0.909 0.545 CA 1.522 24 residues pruned to eliminate duplicates Z: 22 48.415 2.195 1.097 0.918 1.000 0.524 CB 1.619 22 residues pruned to eliminate duplicates Z: 9 8.025 1.818 0.520 0.481 1.000 0.625 CB 1.046 Z: 23 24.028 2.126 0.381 0.588 0.955 0.682 CB 1.680 23 residues pruned to eliminate duplicates Z: 14 9.754 1.767 0.538 0.439 0.769 0.462 N 1.379 Z: 8 7.070 1.714 0.843 0.817 0.714 0.714 CA 0.900 8 residues pruned to eliminate duplicates Z: 16 20.569 2.069 0.532 0.879 1.000 0.800 CA 1.216 16 residues pruned to eliminate duplicates Z: 19 11.934 1.810 0.519 0.451 0.833 0.444 CB 1.291 10 residues pruned to eliminate duplicates Z: 18 24.609 2.098 0.785 0.892 0.882 0.706 CB 1.298 18 residues pruned to eliminate duplicates Z: 47 31.512 2.069 0.592 0.520 0.913 0.522 CA 1.515 47 residues pruned to eliminate duplicates Z: 21 20.790 1.942 0.302 0.906 0.900 0.750 CB 1.452 21 residues pruned to eliminate duplicates Z: 14 14.879 1.918 0.515 0.552 0.923 0.692 CB 1.464 15 residues pruned to eliminate duplicates Z: 39 25.719 1.970 0.559 0.538 0.868 0.474 CB 1.507 38 residues pruned to eliminate duplicates Z: 23 10.927 1.952 0.267 0.319 0.773 0.591 CB 1.488 23 residues pruned to eliminate duplicates Z: 15 16.172 1.934 0.426 0.545 0.929 0.643 CB 1.614 Z: 11 9.857 1.981 0.223 0.554 0.900 0.600 CA 1.355 13 residues pruned to eliminate duplicates Z: 18 15.051 1.785 0.246 0.866 1.000 0.647 CA 1.202 18 residues pruned to eliminate duplicates Z: 17 22.376 1.966 0.776 0.711 0.875 0.375 CA 1.512 17 residues pruned to eliminate duplicates Z: 7 6.184 1.545 0.306 0.739 1.000 0.833 CB 1.010 7 residues pruned to eliminate duplicates Z: 20 20.034 2.072 0.540 0.557 0.842 0.474 CA 1.619 20 residues pruned to eliminate duplicates Z: 12 11.014 1.922 0.358 0.580 0.818 0.818 CA 1.441 12 residues pruned to eliminate duplicates Z: 21 20.215 1.889 0.476 0.854 0.900 0.750 CA 1.330 21 residues pruned to eliminate duplicates Z: 13 14.462 2.067 0.353 0.798 0.917 0.833 CB 1.254 13 residues pruned to eliminate duplicates Z: 8 6.743 1.488 0.287 0.833 0.857 0.714 N 1.165 Z: 26 24.675 2.259 0.731 0.454 0.920 0.720 CB 1.439 26 residues pruned to eliminate duplicates Z: 10 7.107 1.819 0.455 0.448 1.000 0.667 CB 0.944 8 residues pruned to eliminate duplicates Z: 18 19.249 2.013 0.203 0.905 1.000 0.765 CB 1.372 18 residues pruned to eliminate duplicates Z: 18 12.408 1.988 0.473 0.613 0.706 0.412 CB 1.308 18 residues pruned to eliminate duplicates Z: 6 3.455 1.453 -0.012 0.806 1.000 0.800 CA 0.824 6 residues pruned to eliminate duplicates Z: 24 15.095 2.020 0.374 0.409 0.826 0.696 CA 1.510 24 residues pruned to eliminate duplicates Z: 13 17.071 2.244 0.156 0.852 1.000 0.667 CB 1.405 13 residues pruned to eliminate duplicates Z: 14 14.624 1.891 0.675 0.566 0.923 0.538 CB 1.301 13 residues pruned to eliminate duplicates Z: 8 8.379 1.512 0.263 0.888 1.000 1.000 CB 1.195 8 residues pruned to eliminate duplicates Z: 10 10.411 1.915 0.535 0.528 0.889 0.444 CA 1.292 9 residues pruned to eliminate duplicates Z: 18 24.680 2.049 0.504 0.893 0.941 0.765 CB 1.482 18 residues pruned to eliminate duplicates Z: 11 9.214 1.554 0.625 0.547 0.900 0.600 CB 1.225 9 residues pruned to eliminate duplicates Z: 34 24.544 2.118 0.642 0.481 0.909 0.394 CB 1.378 34 residues pruned to eliminate duplicates Z: 48 33.696 2.094 0.374 0.646 0.979 0.681 CB 1.524 48 residues pruned to eliminate duplicates Z: 11 13.230 1.842 0.584 0.867 0.900 0.500 CB 1.165 11 residues pruned to eliminate duplicates Z: 11 16.208 1.936 0.858 0.877 0.800 0.300 CB 1.293 11 residues pruned to eliminate duplicates Z: 19 20.767 2.158 0.574 0.529 0.833 0.500 CB 1.681 19 residues pruned to eliminate duplicates Z: 12 10.544 1.917 0.452 0.366 0.909 0.364 CB 1.450 Z: 13 8.140 1.854 -0.003 0.475 0.917 0.667 CB 1.422 12 residues pruned to eliminate duplicates Z: 7 11.807 2.000 0.718 0.853 0.833 0.833 CA 1.245 7 residues pruned to eliminate duplicates Z: 34 23.305 1.988 0.538 0.476 0.879 0.515 CB 1.547 34 residues pruned to eliminate duplicates Z: 33 24.269 2.049 0.297 0.616 0.938 0.781 CA 1.544 33 residues pruned to eliminate duplicates Z: 26 29.618 2.071 0.549 0.742 0.960 0.720 CB 1.549 32 residues pruned to eliminate duplicates Z: 15 12.665 1.900 0.457 0.482 0.857 0.571 CA 1.453 11 residues pruned to eliminate duplicates Z: 7 5.420 1.723 -0.106 0.487 1.000 0.500 O 1.456 Z: 32 23.877 2.119 0.208 0.649 0.871 0.774 CA 1.675 32 residues pruned to eliminate duplicates Z: 6 2.504 1.451 0.074 0.354 0.800 0.600 N 1.051 6 residues pruned to eliminate duplicates Z: 8 14.618 2.190 0.376 0.741 1.000 0.714 CA 1.477 8 residues pruned to eliminate duplicates Z: 9 13.402 1.876 0.696 0.837 1.000 0.750 CA 1.113 9 residues pruned to eliminate duplicates Z: 10 11.321 1.799 0.181 0.848 1.000 0.889 CB 1.318 10 residues pruned to eliminate duplicates Z: 11 17.846 1.981 0.538 0.850 1.000 0.900 CB 1.373 11 residues pruned to eliminate duplicates Z: 8 6.684 1.898 -0.102 0.775 0.714 0.429 CA 1.628 8 residues pruned to eliminate duplicates Z: 10 6.170 1.558 0.157 0.537 1.000 0.333 CB 1.100 Z: 21 39.816 2.263 0.676 0.874 1.000 0.700 CB 1.709 21 residues pruned to eliminate duplicates Z: 18 33.516 2.183 0.866 0.871 0.941 0.529 CB 1.546 18 residues pruned to eliminate duplicates Z: 15 10.285 1.788 0.218 0.417 0.929 0.786 CB 1.483 16 residues pruned to eliminate duplicates Z: 21 10.351 1.944 0.325 0.368 0.800 0.550 CA 1.294 22 residues pruned to eliminate duplicates Z: 10 13.418 1.943 0.393 0.695 0.889 0.667 CA 1.556 10 residues pruned to eliminate duplicates Z: 7 11.047 2.011 0.389 0.853 0.667 0.333 CA 1.791 7 residues pruned to eliminate duplicates Z: 9 8.479 1.918 0.671 0.802 0.625 0.625 CB 1.149 9 residues pruned to eliminate duplicates Z: 9 7.028 2.033 0.022 0.480 0.750 0.375 CB 1.627 9 residues pruned to eliminate duplicates Z: 32 17.595 2.094 0.444 0.391 0.871 0.581 CB 1.347 32 residues pruned to eliminate duplicates Z: 17 10.762 2.040 0.401 0.374 0.812 0.500 CA 1.326 8 residues pruned to eliminate duplicates Z: 53 31.211 2.151 0.587 0.433 0.885 0.577 CB 1.536 53 residues pruned to eliminate duplicates Z: 8 10.312 2.076 0.311 0.670 0.857 0.714 CB 1.428 8 residues pruned to eliminate duplicates Z: 40 26.760 2.130 0.482 0.536 0.846 0.615 CB 1.548 26 residues pruned to eliminate duplicates Z: 25 10.650 1.905 0.489 0.301 0.833 0.458 CB 1.148 25 residues pruned to eliminate duplicates Z: 8 10.954 1.944 0.347 0.650 1.000 0.857 CA 1.375 8 residues pruned to eliminate duplicates Z: 18 24.299 2.100 0.575 0.902 0.941 0.706 CB 1.350 18 residues pruned to eliminate duplicates Z: 15 8.703 2.032 0.707 0.257 0.857 0.429 CA 1.034 15 residues pruned to eliminate duplicates Z: 9 16.049 2.135 0.761 0.709 1.000 0.750 CA 1.249 9 residues pruned to eliminate duplicates Z: 8 8.204 1.948 1.097 0.400 0.714 0.286 CB 1.182 9 residues pruned to eliminate duplicates Z: 9 4.108 1.553 0.217 0.300 0.750 0.500 C 1.280 Z: 15 19.177 2.018 0.785 0.894 0.929 0.429 CB 1.099 15 residues pruned to eliminate duplicates Z: 20 24.764 2.106 0.435 0.893 1.000 0.526 CB 1.349 20 residues pruned to eliminate duplicates Z: 63 44.498 2.244 0.566 0.552 0.952 0.565 CB 1.607 63 residues pruned to eliminate duplicates Z: 21 13.419 2.007 0.593 0.391 0.900 0.450 CB 1.170 Z: 13 13.304 1.967 0.113 0.894 1.000 0.833 CA 1.259 13 residues pruned to eliminate duplicates Z: 6 3.992 1.851 -0.385 0.738 0.800 0.600 O 1.584 Z: 21 19.312 2.169 0.592 0.476 0.900 0.650 CB 1.425 21 residues pruned to eliminate duplicates Z: 22 13.791 1.860 0.392 0.357 0.905 0.667 CA 1.499 22 residues pruned to eliminate duplicates Z: 7 3.826 1.562 0.576 0.241 0.667 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 34 17.196 2.012 0.376 0.369 0.879 0.485 CA 1.416 31 residues pruned to eliminate duplicates Z: 17 12.217 1.883 0.446 0.495 0.875 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 15 7.715 1.841 0.135 0.447 0.857 0.429 CB 1.215 Z: 27 26.833 2.113 0.544 0.597 0.923 0.654 CA 1.592 27 residues pruned to eliminate duplicates Z: 33 17.583 1.978 0.470 0.431 0.781 0.531 CB 1.469 33 residues pruned to eliminate duplicates Z: 27 16.018 2.006 0.435 0.453 0.885 0.500 CB 1.294 27 residues pruned to eliminate duplicates Z: 6 3.979 1.639 0.015 0.544 0.800 0.600 C 1.281 6 residues pruned to eliminate duplicates Z: 16 31.387 2.193 0.877 0.916 0.933 0.667 CB 1.490 16 residues pruned to eliminate duplicates Z: 6 10.973 1.975 0.548 0.641 1.000 0.600 CA 1.406 6 residues pruned to eliminate duplicates Z: 21 10.166 1.742 0.824 0.266 0.700 0.350 CA 1.334 21 residues pruned to eliminate duplicates Z: 25 11.213 1.977 0.235 0.358 0.792 0.583 CA 1.381 25 residues pruned to eliminate duplicates Z: 8 4.847 1.595 0.628 0.423 0.714 0.571 CB 1.071 8 residues pruned to eliminate duplicates Z: 10 5.715 1.849 0.454 0.381 0.667 0.556 CA 1.207 10 residues pruned to eliminate duplicates Z: 9 13.326 1.972 0.389 0.888 1.000 1.000 CA 1.239 9 residues pruned to eliminate duplicates Z: 12 14.459 2.158 0.833 0.549 0.818 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 15 14.910 1.895 0.559 0.457 1.000 0.643 CB 1.410 15 residues pruned to eliminate duplicates Z: 8 7.157 1.614 0.603 0.401 0.857 0.571 CA 1.354 8 residues pruned to eliminate duplicates Z: 9 13.675 1.914 0.434 0.822 1.000 0.500 CB 1.332 9 residues pruned to eliminate duplicates Z: 21 12.087 1.949 0.711 0.356 0.800 0.500 CB 1.184 21 residues pruned to eliminate duplicates Z: 6 7.485 1.911 0.187 0.586 1.000 0.800 CB 1.359 6 residues pruned to eliminate duplicates Z: 22 16.202 1.923 0.549 0.629 0.857 0.429 CA 1.226 22 residues pruned to eliminate duplicates Z: 20 15.887 2.058 0.532 0.362 0.895 0.632 CA 1.499 20 residues pruned to eliminate duplicates Z: 7 4.044 1.727 0.105 0.517 0.667 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 7 6.913 1.828 0.676 0.539 0.667 0.500 CA 1.330 7 residues pruned to eliminate duplicates Z: 7 5.771 1.945 -0.104 0.515 0.833 0.667 CA 1.599 7 residues pruned to eliminate duplicates Z: 26 15.183 1.929 0.387 0.335 0.920 0.520 CB 1.477 26 residues pruned to eliminate duplicates Z: 18 12.945 2.015 0.508 0.362 0.882 0.588 CB 1.358 18 residues pruned to eliminate duplicates Z: 11 12.719 2.106 0.548 0.526 1.000 0.700 CB 1.202 11 residues pruned to eliminate duplicates Z: 12 16.173 1.984 0.630 0.856 0.818 0.636 CA 1.359 12 residues pruned to eliminate duplicates Z: 22 28.208 1.999 0.666 0.925 1.000 0.667 CB 1.297 22 residues pruned to eliminate duplicates Z: 7 5.915 1.810 0.275 0.483 0.833 0.500 CB 1.277 Z: 28 16.590 1.983 0.532 0.363 0.852 0.519 CA 1.429 28 residues pruned to eliminate duplicates Z: 22 14.972 2.066 0.292 0.466 0.905 0.667 CB 1.400 22 residues pruned to eliminate duplicates Z: 9 3.550 1.207 0.472 0.490 0.875 0.250 CB 0.815 Z: 8 11.106 2.006 0.375 0.705 0.857 0.714 CB 1.473 8 residues pruned to eliminate duplicates Z: 18 25.359 2.206 0.685 0.862 0.824 0.588 CA 1.475 18 residues pruned to eliminate duplicates Z: 8 7.108 1.573 0.427 0.402 1.000 0.714 O 1.326 Z: 7 3.245 1.536 -0.156 0.489 1.000 1.000 CB 1.033 7 residues pruned to eliminate duplicates Z: 40 30.835 2.144 0.602 0.598 0.897 0.744 CA 1.460 40 residues pruned to eliminate duplicates Z: 10 5.414 1.565 0.198 0.423 1.000 0.444 CB 1.043 9 residues pruned to eliminate duplicates Z: 8 2.552 1.674 -0.238 0.366 1.000 0.714 CB 0.874 Z: 14 10.591 1.942 0.408 0.286 1.000 0.692 CA 1.366 14 residues pruned to eliminate duplicates Z: 7 12.021 2.118 0.181 0.706 1.000 0.833 CB 1.627 7 residues pruned to eliminate duplicates Z: 20 21.250 1.818 0.693 0.882 0.895 0.632 CA 1.282 19 residues pruned to eliminate duplicates Z: 10 4.533 1.847 0.183 0.280 0.667 0.333 CA 1.330 10 residues pruned to eliminate duplicates Z: 30 21.365 1.970 0.461 0.553 0.931 0.586 CA 1.406 30 residues pruned to eliminate duplicates Z: 19 11.925 1.901 0.354 0.339 0.944 0.556 CB 1.378 19 residues pruned to eliminate duplicates Z: 6 3.828 1.453 0.853 0.457 0.800 0.600 CA 0.831 Z: 7 2.211 1.346 0.087 0.411 0.833 0.333 CB 0.812 Z: 11 12.572 1.802 0.473 0.868 0.900 0.800 CB 1.216 11 residues pruned to eliminate duplicates Z: 9 3.554 1.718 0.134 0.380 0.750 0.500 CB 0.976 9 residues pruned to eliminate duplicates Z: 10 8.196 1.986 0.067 0.566 0.889 0.667 CA 1.360 10 residues pruned to eliminate duplicates Z: 9 5.351 1.720 -0.211 0.588 0.875 0.625 CB 1.464 8 residues pruned to eliminate duplicates Z: 17 21.260 1.986 0.387 0.910 0.938 0.625 CB 1.460 17 residues pruned to eliminate duplicates Z: 9 5.053 1.522 0.241 0.494 0.875 0.750 C 1.087 6 residues pruned to eliminate duplicates Z: 41 19.005 1.934 0.344 0.369 0.900 0.550 CB 1.478 40 residues pruned to eliminate duplicates Z: 9 10.128 1.884 0.212 0.801 0.875 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 10 5.499 1.558 0.133 0.590 0.889 0.333 CB 1.071 Z: 64 35.196 2.061 0.615 0.545 0.905 0.571 CA 1.409 64 residues pruned to eliminate duplicates Z: 10 4.567 1.770 0.154 0.478 0.889 0.778 CB 0.857 9 residues pruned to eliminate duplicates Z: 8 4.594 1.570 0.424 0.278 0.857 0.429 CB 1.164 8 residues pruned to eliminate duplicates Z: 30 10.758 1.879 0.094 0.368 0.862 0.448 CB 1.299 30 residues pruned to eliminate duplicates Z: 8 6.574 1.611 0.552 0.568 1.000 0.571 CB 0.931 8 residues pruned to eliminate duplicates Z: 12 20.190 2.020 0.526 0.877 1.000 0.818 CB 1.434 12 residues pruned to eliminate duplicates Z: 10 6.881 1.887 0.549 0.541 0.778 0.778 CB 0.969 11 residues pruned to eliminate duplicates Z: 15 16.233 2.128 0.671 0.458 0.929 0.643 CA 1.371 10 residues pruned to eliminate duplicates Z: 23 11.547 1.934 0.445 0.293 0.818 0.409 CB 1.358 23 residues pruned to eliminate duplicates Z: 20 16.236 2.054 0.344 0.544 0.947 0.684 CA 1.363 20 residues pruned to eliminate duplicates Z: 7 3.908 1.642 0.255 0.417 0.833 0.333 N 1.013 7 residues pruned to eliminate duplicates Z: 8 7.165 1.889 0.417 0.345 0.857 0.571 CB 1.396 Z: 8 7.893 1.749 0.509 0.637 0.857 0.714 CB 1.160 8 residues pruned to eliminate duplicates Z: 13 14.524 1.895 0.257 0.839 1.000 0.500 CB 1.315 13 residues pruned to eliminate duplicates Z: 22 11.653 2.031 0.133 0.373 0.857 0.476 CA 1.477 22 residues pruned to eliminate duplicates Z: 16 21.841 2.154 0.422 0.926 0.933 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 21 26.953 2.008 0.864 0.918 0.850 0.500 CB 1.336 21 residues pruned to eliminate duplicates Z: 11 17.241 1.854 0.626 0.907 1.000 0.800 CA 1.285 10 residues pruned to eliminate duplicates Z: 22 14.161 1.956 0.431 0.357 0.905 0.476 CB 1.423 22 residues pruned to eliminate duplicates Z: 31 15.643 1.858 0.290 0.556 0.833 0.667 CB 1.354 31 residues pruned to eliminate duplicates Z: 40 30.338 2.109 0.540 0.580 0.923 0.692 CA 1.500 40 residues pruned to eliminate duplicates Z: 17 14.250 1.891 0.444 0.720 0.812 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 8 3.105 1.681 -0.240 0.539 1.000 0.857 CB 0.885 Z: 21 23.439 2.019 0.264 0.913 0.950 0.800 CB 1.530 21 residues pruned to eliminate duplicates Z: 21 21.134 2.016 0.723 0.893 0.800 0.400 CB 1.220 21 residues pruned to eliminate duplicates Z: 7 6.190 1.587 0.420 0.583 1.000 0.333 CA 1.035 7 residues pruned to eliminate duplicates Z: 24 11.638 1.981 0.339 0.333 0.783 0.565 CA 1.403 24 residues pruned to eliminate duplicates Z: 7 6.143 1.593 0.293 0.796 0.833 0.833 CB 1.128 7 residues pruned to eliminate duplicates Z: 13 6.328 2.090 0.061 0.233 0.750 0.500 CB 1.498 13 residues pruned to eliminate duplicates Z: 20 18.663 1.789 0.466 0.849 1.000 0.842 CA 1.210 20 residues pruned to eliminate duplicates Z: 21 41.132 2.273 0.704 0.889 1.000 0.900 CA 1.710 21 residues pruned to eliminate duplicates Z: 18 8.653 1.824 0.172 0.312 0.882 0.294 CA 1.371 18 residues pruned to eliminate duplicates Z: 12 12.664 1.815 0.122 0.832 1.000 0.909 CB 1.408 12 residues pruned to eliminate duplicates Z: 9 12.336 1.700 0.431 0.802 1.000 0.500 N 1.377 11 residues pruned to eliminate duplicates Z: 23 13.048 1.977 0.367 0.329 0.864 0.455 CA 1.438 23 residues pruned to eliminate duplicates Z: 9 5.935 1.721 0.394 0.377 0.750 0.375 CB 1.330 9 residues pruned to eliminate duplicates Z: 12 6.564 1.740 0.594 0.390 0.727 0.545 CA 1.102 12 residues pruned to eliminate duplicates Z: 9 9.208 1.710 0.640 0.432 1.000 0.625 CB 1.244 9 residues pruned to eliminate duplicates Z: 12 5.233 1.889 0.094 0.396 0.545 0.455 CA 1.562 9 residues pruned to eliminate duplicates Z: 9 5.623 1.525 0.023 0.502 1.000 0.625 C 1.271 Z: 13 19.880 1.892 0.686 0.826 1.000 0.417 CA 1.357 13 residues pruned to eliminate duplicates Z: 7 2.618 1.569 0.205 0.461 0.833 0.500 CB 0.706 Z: 28 12.585 1.965 0.648 0.306 0.778 0.444 CB 1.192 56 residues pruned to eliminate duplicates Z: 10 4.968 1.628 0.077 0.449 0.778 0.444 CB 1.279 13 residues pruned to eliminate duplicates Z: 22 23.695 1.847 0.515 0.883 1.000 0.429 CA 1.336 22 residues pruned to eliminate duplicates Z: 25 14.371 1.978 0.400 0.398 0.792 0.542 CA 1.489 25 residues pruned to eliminate duplicates Z: 22 34.868 2.148 0.743 0.893 0.952 0.714 CB 1.531 22 residues pruned to eliminate duplicates Z: 13 16.517 1.966 0.155 0.898 1.000 0.667 CA 1.502 13 residues pruned to eliminate duplicates Z: 8 6.920 1.826 0.180 0.577 0.857 0.714 N 1.315 Z: 6 3.333 1.433 0.353 0.447 0.800 0.600 N 1.015 Z: 10 10.774 1.908 0.803 0.507 0.778 0.556 CA 1.333 10 residues pruned to eliminate duplicates Z: 6 3.920 1.624 0.091 0.510 1.000 0.800 CB 0.980 7 residues pruned to eliminate duplicates Z: 8 8.342 1.761 0.266 0.735 0.857 0.714 O 1.336 12 residues pruned to eliminate duplicates Z: 8 2.412 1.497 0.454 0.221 0.857 0.571 C 0.678 Z: 10 8.705 1.723 0.045 0.829 0.889 0.667 CA 1.364 8 residues pruned to eliminate duplicates Z: 14 15.944 1.800 0.677 0.770 0.923 0.385 CA 1.250 14 residues pruned to eliminate duplicates Z: 6 3.512 1.870 0.201 0.664 0.800 0.600 CB 0.751 Z: 16 10.886 1.752 0.514 0.564 0.933 0.467 CA 1.068 16 residues pruned to eliminate duplicates Z: 8 5.136 1.729 -0.081 0.523 1.000 0.429 CB 1.195 Z: 20 27.659 1.963 0.519 0.936 1.000 0.842 CA 1.481 21 residues pruned to eliminate duplicates Z: 6 5.014 1.731 -0.282 0.785 1.000 0.800 CA 1.403 6 residues pruned to eliminate duplicates Z: 7 5.871 1.906 0.331 0.632 1.000 0.500 CB 0.834 7 residues pruned to eliminate duplicates Z: 20 23.844 1.941 0.538 0.854 0.947 0.526 CA 1.429 20 residues pruned to eliminate duplicates Z: 40 31.871 2.073 0.503 0.618 0.949 0.769 CA 1.546 40 residues pruned to eliminate duplicates Z: 20 13.971 2.210 0.397 0.502 0.842 0.579 CB 1.230 22 residues pruned to eliminate duplicates Z: 49 26.232 2.130 0.493 0.433 0.875 0.583 CB 1.458 37 residues pruned to eliminate duplicates Z: 8 8.443 1.761 0.605 0.796 0.714 0.714 CA 1.220 8 residues pruned to eliminate duplicates Z: 9 13.482 2.187 0.496 0.671 0.875 0.625 CA 1.422 10 residues pruned to eliminate duplicates Z: 14 9.335 1.678 0.375 0.514 0.923 0.615 CA 1.199 14 residues pruned to eliminate duplicates Z: 17 13.771 1.918 0.678 0.643 0.875 0.625 CA 1.070 17 residues pruned to eliminate duplicates Z: 29 12.844 1.942 0.434 0.381 0.857 0.607 CB 1.155 29 residues pruned to eliminate duplicates Z: 16 9.189 1.801 0.543 0.406 0.800 0.533 CA 1.179 Z: 25 14.912 2.004 0.360 0.338 0.875 0.625 CA 1.522 25 residues pruned to eliminate duplicates Z: 10 15.226 1.894 0.629 0.667 1.000 0.778 CB 1.410 11 residues pruned to eliminate duplicates Z: 8 3.542 1.629 0.196 0.420 0.857 0.429 CB 0.872 8 residues pruned to eliminate duplicates Z: 8 5.560 1.752 -0.178 0.639 1.000 0.571 N 1.282 Z: 35 23.717 1.968 0.557 0.520 0.853 0.559 CA 1.526 35 residues pruned to eliminate duplicates Z: 10 4.206 1.619 -0.003 0.493 0.778 0.667 CA 1.124 6 residues pruned to eliminate duplicates Z: 8 8.289 1.912 0.433 0.641 1.000 0.714 CB 1.002 8 residues pruned to eliminate duplicates Z: 17 9.184 1.856 0.530 0.451 0.812 0.688 CB 1.046 16 residues pruned to eliminate duplicates Z: 7 8.277 1.806 0.864 0.478 0.833 0.500 CA 1.232 6 residues pruned to eliminate duplicates Z: 21 34.410 2.199 0.637 0.910 1.000 0.550 CB 1.516 21 residues pruned to eliminate duplicates Z: 15 15.368 1.960 0.635 0.473 0.929 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 7 6.173 1.989 -0.113 0.655 0.833 0.667 CB 1.485 7 residues pruned to eliminate duplicates Z: 48 29.692 2.185 0.452 0.556 0.936 0.596 CB 1.382 48 residues pruned to eliminate duplicates Z: 12 7.948 2.023 0.544 0.370 1.000 0.636 CB 0.882 12 residues pruned to eliminate duplicates Z: 20 17.108 1.998 0.407 0.516 0.895 0.474 CA 1.537 20 residues pruned to eliminate duplicates Z: 19 8.242 1.584 0.653 0.338 0.667 0.556 CA 1.328 7 residues pruned to eliminate duplicates Z: 13 9.633 1.856 0.423 0.366 0.917 0.583 CB 1.327 13 residues pruned to eliminate duplicates Z: 9 11.245 1.998 0.436 0.620 1.000 0.875 CB 1.237 12 residues pruned to eliminate duplicates Z: 24 10.067 1.941 0.399 0.293 0.739 0.304 CB 1.319 Z: 30 23.619 2.126 0.687 0.448 0.862 0.552 CA 1.497 21 residues pruned to eliminate duplicates Z: 6 3.041 1.589 0.348 0.460 0.800 0.400 CB 0.827 Z: 51 21.602 1.984 0.369 0.432 0.900 0.540 CA 1.340 49 residues pruned to eliminate duplicates Z: 18 17.697 2.066 0.402 0.734 0.941 0.882 CB 1.276 18 residues pruned to eliminate duplicates Z: 6 4.178 1.849 -0.162 0.643 1.000 0.800 CB 1.054 6 residues pruned to eliminate duplicates Z: 14 21.747 2.211 0.711 0.886 0.923 0.538 CB 1.247 14 residues pruned to eliminate duplicates Z: 6 2.789 1.198 0.200 0.731 0.800 0.600 CA 0.881 Z: 9 8.572 1.814 0.904 0.470 0.875 0.625 CA 1.033 9 residues pruned to eliminate duplicates Z: 13 10.086 1.773 0.627 0.378 0.917 0.500 CA 1.254 10 residues pruned to eliminate duplicates Z: 8 3.319 1.725 -0.211 0.358 1.000 0.286 CB 1.074 7 residues pruned to eliminate duplicates Z: 9 3.288 1.669 0.006 0.201 0.750 0.250 C 1.316 Z: 6 4.038 1.453 0.131 0.470 1.000 0.800 O 1.133 Z: 16 20.901 1.933 0.293 0.897 1.000 0.733 CB 1.545 16 residues pruned to eliminate duplicates Z: 6 4.984 1.708 -0.315 0.779 1.000 0.800 CB 1.490 Z: 7 5.865 1.653 0.617 0.488 0.833 0.833 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 2.593 1.385 0.410 0.212 0.857 0.714 CB 0.822 Z: 11 7.908 1.731 0.787 0.538 0.800 0.800 CB 0.974 Z: 15 11.148 1.820 0.509 0.395 0.857 0.643 CB 1.414 15 residues pruned to eliminate duplicates Z: 13 12.904 1.923 0.683 0.553 0.917 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 6 4.633 1.566 0.686 0.764 1.000 1.000 CB 0.621 6 residues pruned to eliminate duplicates Z: 25 23.387 2.076 0.405 0.629 0.917 0.750 CB 1.582 15 residues pruned to eliminate duplicates Z: 17 22.353 2.098 0.240 0.934 1.000 1.000 CB 1.498 17 residues pruned to eliminate duplicates Z: 63 37.342 2.210 0.490 0.544 0.903 0.597 CB 1.527 63 residues pruned to eliminate duplicates Z: 6 3.955 1.344 0.390 0.554 0.800 0.400 CB 1.123 4 residues pruned to eliminate duplicates Z: 13 11.738 1.906 0.699 0.547 0.833 0.667 CB 1.199 13 residues pruned to eliminate duplicates Z: 46 22.722 2.079 0.476 0.379 0.844 0.467 CB 1.488 46 residues pruned to eliminate duplicates Z: 15 10.724 2.169 0.131 0.441 0.714 0.571 CB 1.738 15 residues pruned to eliminate duplicates Z: 6 4.771 1.473 0.714 0.496 0.800 0.600 CB 1.060 6 residues pruned to eliminate duplicates Z: 14 16.177 2.030 0.400 0.516 1.000 0.538 CB 1.554 14 residues pruned to eliminate duplicates Z: 9 6.624 1.588 0.133 0.761 0.875 0.625 N 1.179 9 residues pruned to eliminate duplicates Z: 32 23.497 1.946 0.599 0.503 0.903 0.581 CB 1.496 32 residues pruned to eliminate duplicates Z: 8 2.472 1.412 0.448 0.358 0.714 0.429 N 0.745 8 residues pruned to eliminate duplicates 6 1.947 1.329 0.252 0.157 1.000 0.400 N 0.796 ? Z: 24 16.560 2.038 0.434 0.497 0.913 0.652 CB 1.298 24 residues pruned to eliminate duplicates Z: 22 17.665 2.102 0.534 0.499 0.905 0.524 CB 1.322 22 residues pruned to eliminate duplicates Z: 6 6.702 1.731 0.103 0.651 1.000 0.800 C 1.364 6 residues pruned to eliminate duplicates Z: 21 38.285 2.284 0.567 0.911 1.000 0.550 CB 1.695 21 residues pruned to eliminate duplicates Z: 7 8.912 1.856 0.418 0.564 0.833 0.333 C 1.560 Z: 13 4.470 1.662 0.257 0.122 0.750 0.500 N 1.324 13 residues pruned to eliminate duplicates Z: 18 29.180 2.094 0.830 0.894 1.000 0.706 CB 1.325 18 residues pruned to eliminate duplicates Z: 10 6.212 1.955 0.194 0.422 0.889 0.889 CB 1.083 Z: 13 11.582 1.851 0.630 0.434 0.917 0.750 CB 1.294 13 residues pruned to eliminate duplicates Z: 32 22.378 1.973 0.615 0.478 0.871 0.484 CB 1.482 32 residues pruned to eliminate duplicates Z: 9 3.232 1.645 0.304 0.203 0.750 0.375 CB 1.011 9 residues pruned to eliminate duplicates Z: 27 30.855 2.138 0.570 0.728 0.962 0.808 CB 1.526 27 residues pruned to eliminate duplicates Z: 10 6.916 1.631 0.325 0.641 1.000 0.556 CB 0.935 6 residues pruned to eliminate duplicates Z: 11 13.524 2.073 0.849 0.500 0.900 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 7 2.163 1.765 0.136 0.277 0.833 0.500 CB 0.681 Z: 23 11.390 1.801 0.281 0.370 0.864 0.545 CB 1.401 31 residues pruned to eliminate duplicates Z: 6 4.161 1.370 1.020 0.298 0.800 0.600 CB 1.054 Z: 6 2.299 1.487 -0.022 0.465 0.800 0.600 CB 0.915 Z: 21 14.041 1.862 0.847 0.317 0.850 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 6 7.471 1.628 0.510 0.729 1.000 0.800 CA 1.107 6 residues pruned to eliminate duplicates Z: 11 4.057 1.512 0.155 0.471 0.700 0.500 CB 1.080 11 residues pruned to eliminate duplicates Z: 58 39.031 2.134 0.739 0.547 0.895 0.456 CB 1.488 58 residues pruned to eliminate duplicates Z: 13 13.787 1.926 0.450 0.444 1.000 0.500 CA 1.509 13 residues pruned to eliminate duplicates Z: 28 19.130 1.929 0.724 0.355 0.889 0.444 CA 1.457 28 residues pruned to eliminate duplicates Z: 6 3.658 1.473 0.199 0.473 1.000 0.400 CA 0.952 Z: 61 32.279 2.145 0.495 0.463 0.900 0.583 CB 1.500 63 residues pruned to eliminate duplicates Z: 19 24.042 1.943 0.569 0.893 1.000 0.667 CA 1.334 19 residues pruned to eliminate duplicates Z: 20 25.942 2.081 0.538 0.914 1.000 0.526 CB 1.315 20 residues pruned to eliminate duplicates Z: 13 8.236 1.940 0.564 0.468 0.667 0.417 CA 1.214 13 residues pruned to eliminate duplicates Z: 8 8.996 1.910 0.650 0.429 0.857 0.429 CB 1.355 8 residues pruned to eliminate duplicates Z: 8 11.091 1.920 0.935 0.332 1.000 0.571 CB 1.356 10 residues pruned to eliminate duplicates Z: 9 6.218 1.635 0.615 0.466 0.875 0.375 CB 0.985 9 residues pruned to eliminate duplicates Z: 8 2.007 1.113 0.541 0.326 0.714 0.571 CB 0.750 Z: 7 4.654 1.424 0.347 0.691 1.000 0.667 CB 0.832 Z: 16 9.267 1.810 0.440 0.348 0.800 0.533 CB 1.353 16 residues pruned to eliminate duplicates Z: 8 6.379 1.429 0.559 0.771 1.000 0.571 CB 0.852 Z: 13 9.294 1.789 0.313 0.655 0.917 0.500 CB 1.079 13 residues pruned to eliminate duplicates Z: 11 15.308 1.961 0.822 0.732 0.800 0.500 CA 1.374 11 residues pruned to eliminate duplicates 6 1.380 1.537 -0.007 0.313 0.600 0.400 CB 0.829 ? Z: 11 8.102 1.832 0.441 0.430 0.800 0.700 CA 1.303 10 residues pruned to eliminate duplicates Z: 19 11.386 1.978 0.787 0.419 0.778 0.500 CB 1.062 19 residues pruned to eliminate duplicates Z: 10 4.915 1.566 0.325 0.327 0.778 0.444 CB 1.228 Z: 10 15.832 1.965 0.358 0.905 1.000 0.889 CA 1.407 10 residues pruned to eliminate duplicates Z: 20 8.090 1.819 0.130 0.448 0.789 0.474 CB 1.206 20 residues pruned to eliminate duplicates Z: 14 25.179 2.173 0.740 0.932 0.923 0.385 CB 1.397 14 residues pruned to eliminate duplicates Z: 10 8.556 1.922 0.363 0.683 0.889 0.778 CB 1.036 9 residues pruned to eliminate duplicates Z: 6 7.097 1.876 0.397 0.404 1.000 0.400 CB 1.340 6 residues pruned to eliminate duplicates Z: 26 13.386 1.879 0.440 0.491 0.960 0.520 CB 1.041 26 residues pruned to eliminate duplicates Z: 24 19.926 2.090 0.570 0.506 0.913 0.652 CB 1.379 24 residues pruned to eliminate duplicates Z: 10 3.637 1.630 0.042 0.243 0.778 0.667 CB 1.234 Z: 7 12.322 2.122 0.264 0.815 1.000 1.000 CA 1.427 7 residues pruned to eliminate duplicates Z: 6 4.079 1.014 1.139 0.577 1.000 0.600 O 0.781 Z: 7 5.157 2.190 0.092 0.381 0.667 0.500 CA 1.497 7 residues pruned to eliminate duplicates Z: 12 12.555 1.937 0.532 0.543 0.909 0.818 CA 1.345 12 residues pruned to eliminate duplicates Z: 6 2.276 1.649 -0.163 0.346 0.800 0.400 C 1.090 6 residues pruned to eliminate duplicates Z: 8 6.225 1.716 0.336 0.524 0.857 0.857 CA 1.169 8 residues pruned to eliminate duplicates Z: 6 2.554 1.291 0.855 0.300 0.800 0.400 CB 0.745 Z: 14 6.380 1.787 0.427 0.401 0.769 0.308 CB 1.002 Z: 25 12.985 1.985 0.657 0.344 0.792 0.500 CB 1.206 25 residues pruned to eliminate duplicates Z: 7 4.543 2.003 0.177 0.448 0.667 0.500 CB 1.245 29 residues pruned to eliminate duplicates Z: 11 9.573 1.818 0.284 0.783 0.800 0.700 CA 1.264 11 residues pruned to eliminate duplicates Z: 6 2.706 1.329 0.543 0.328 0.800 0.600 C 0.891 Z: 41 14.397 1.873 0.374 0.352 0.750 0.550 CB 1.385 41 residues pruned to eliminate duplicates Z: 7 5.915 1.477 0.664 0.481 0.833 0.667 CB 1.203 Z: 9 13.178 1.980 0.389 0.578 1.000 0.750 CA 1.571 9 residues pruned to eliminate duplicates Z: 12 16.843 2.098 0.876 0.528 0.909 0.636 CB 1.381 12 residues pruned to eliminate duplicates Z: 20 14.568 2.022 0.615 0.489 0.789 0.474 CB 1.311 20 residues pruned to eliminate duplicates Z: 8 4.213 1.709 -0.053 0.652 1.000 0.714 N 0.854 8 residues pruned to eliminate duplicates Z: 35 28.848 2.144 0.457 0.650 0.912 0.647 CB 1.510 35 residues pruned to eliminate duplicates Z: 6 3.666 1.159 0.488 0.690 1.000 1.000 CA 0.798 Z: 12 10.730 2.056 0.121 0.579 1.000 0.636 CA 1.301 13 residues pruned to eliminate duplicates Z: 12 4.564 1.709 0.551 0.257 0.636 0.455 CB 1.078 12 residues pruned to eliminate duplicates Z: 11 5.536 1.827 0.505 0.221 0.700 0.400 CA 1.261 11 residues pruned to eliminate duplicates Z: 6 6.826 1.746 0.414 0.454 1.000 0.400 N 1.296 4 residues pruned to eliminate duplicates 6 1.676 1.192 -0.095 0.515 1.000 0.600 CB 0.684 ? Z: 11 3.189 1.406 0.456 0.189 0.700 0.500 CB 1.022 6 residues pruned to eliminate duplicates Z: 7 5.253 1.701 0.189 0.630 0.833 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 8 5.636 1.556 0.717 0.570 1.000 0.714 CB 0.745 Z: 8 5.784 1.642 0.390 0.554 0.857 0.429 N 1.060 8 residues pruned to eliminate duplicates Z: 6 5.070 1.792 0.756 0.409 0.800 0.600 CB 0.991 5 residues pruned to eliminate duplicates Z: 63 33.905 2.076 0.499 0.568 0.903 0.597 CA 1.435 63 residues pruned to eliminate duplicates Z: 13 7.551 1.858 0.337 0.311 0.750 0.250 N 1.443 13 residues pruned to eliminate duplicates 6 1.442 1.226 0.234 0.310 0.600 0.400 CB 0.878 ? Z: 9 9.118 1.623 0.604 0.611 1.000 1.000 CB 1.114 9 residues pruned to eliminate duplicates Z: 6 3.727 1.491 0.404 0.353 0.800 0.400 C 1.167 Z: 17 13.625 2.083 0.832 0.369 0.750 0.562 CB 1.370 17 residues pruned to eliminate duplicates Z: 8 8.780 1.522 0.514 0.909 0.857 0.857 N 1.193 7 residues pruned to eliminate duplicates Z: 26 16.245 1.999 0.439 0.378 0.880 0.520 CA 1.462 27 residues pruned to eliminate duplicates Z: 22 15.134 2.084 0.503 0.527 0.810 0.619 CA 1.268 22 residues pruned to eliminate duplicates Z: 18 8.209 1.742 0.277 0.296 0.824 0.471 N 1.365 18 residues pruned to eliminate duplicates Z: 18 11.012 1.876 0.362 0.382 0.941 0.765 CB 1.259 18 residues pruned to eliminate duplicates Z: 7 3.546 1.300 0.474 0.690 1.000 0.833 CB 0.635 Z: 6 6.743 1.632 0.904 0.621 1.000 0.800 CB 0.866 6 residues pruned to eliminate duplicates Z: 9 14.095 2.039 0.370 0.902 1.000 0.750 CB 1.273 9 residues pruned to eliminate duplicates 6 1.620 1.240 0.458 0.304 0.600 0.200 CA 0.830 ? 6 0.947 1.329 -0.235 0.292 0.800 0.400 CB 0.658 ? Z: 7 7.458 1.955 0.209 0.545 1.000 0.667 CA 1.233 7 residues pruned to eliminate duplicates Z: 13 13.550 2.239 0.546 0.349 0.833 0.583 CB 1.597 13 residues pruned to eliminate duplicates Z: 6 3.876 1.538 -0.034 0.726 1.000 0.400 N 0.951 Z: 55 31.375 2.205 0.382 0.551 0.926 0.574 CB 1.439 55 residues pruned to eliminate duplicates Z: 11 9.744 1.938 0.187 0.542 1.000 0.700 CB 1.285 11 residues pruned to eliminate duplicates Z: 7 3.656 1.764 0.052 0.437 1.000 0.500 CB 0.859 7 residues pruned to eliminate duplicates Z: 15 17.634 1.936 0.548 0.559 1.000 0.571 CB 1.485 15 residues pruned to eliminate duplicates Z: 16 15.083 1.872 0.566 0.555 1.000 0.600 CA 1.259 16 residues pruned to eliminate duplicates 7 1.575 1.307 0.144 0.344 0.667 0.500 CB 0.764 ? Z: 24 11.535 1.892 0.661 0.327 0.870 0.522 CB 1.064 24 residues pruned to eliminate duplicates Z: 21 27.154 1.918 0.633 0.923 1.000 0.700 CA 1.363 21 residues pruned to eliminate duplicates Z: 11 3.755 1.750 0.172 0.284 0.800 0.800 CB 0.922 11 residues pruned to eliminate duplicates Z: 31 9.530 1.873 0.229 0.246 0.800 0.433 CB 1.267 64 residues pruned to eliminate duplicates Z: 35 16.098 1.970 0.369 0.376 0.794 0.559 CB 1.472 35 residues pruned to eliminate duplicates Z: 8 5.855 1.620 0.500 0.399 0.857 0.429 CA 1.181 Z: 17 17.275 2.064 0.447 0.495 0.875 0.500 CA 1.661 17 residues pruned to eliminate duplicates Z: 15 6.753 1.760 0.487 0.394 0.857 0.643 CB 0.900 3 residues pruned to eliminate duplicates Z: 7 2.446 1.510 0.634 0.585 0.667 0.333 CB 0.559 Z: 9 5.561 1.738 0.275 0.488 0.750 0.375 CA 1.197 9 residues pruned to eliminate duplicates Z: 6 4.590 1.424 0.131 0.711 1.000 0.600 CA 1.052 Z: 9 2.951 1.568 -0.093 0.387 0.875 0.625 C 0.945 9 residues pruned to eliminate duplicates Z: 7 2.454 1.356 -0.281 0.487 1.000 0.333 O 1.041 Z: 7 2.045 1.399 -0.014 0.377 0.667 0.500 CA 1.034 8 residues pruned to eliminate duplicates Z: 13 3.901 1.338 0.490 0.355 0.667 0.500 CA 0.991 Z: 18 25.560 2.096 0.545 0.905 1.000 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 6 7.623 1.741 0.701 0.489 1.000 0.800 CB 1.163 6 residues pruned to eliminate duplicates Z: 28 9.382 1.863 0.224 0.345 0.741 0.407 CB 1.265 28 residues pruned to eliminate duplicates Z: 9 2.485 1.333 0.244 0.366 0.625 0.625 CB 0.978 9 residues pruned to eliminate duplicates Z: 6 4.259 1.562 0.373 0.583 0.800 0.600 CB 1.025 6 residues pruned to eliminate duplicates Z: 8 7.035 2.032 0.388 0.465 0.857 0.857 CB 1.140 9 residues pruned to eliminate duplicates Z: 7 2.450 1.330 0.321 0.410 0.667 0.500 N 0.939 Z: 31 16.854 1.912 0.270 0.353 0.967 0.467 CA 1.536 31 residues pruned to eliminate duplicates Z: 13 7.817 1.743 0.240 0.395 0.917 0.667 CA 1.273 13 residues pruned to eliminate duplicates Z: 6 4.839 1.489 0.181 0.608 1.000 0.800 CB 1.110 6 residues pruned to eliminate duplicates Z: 29 14.087 1.987 0.506 0.419 0.857 0.500 CB 1.130 29 residues pruned to eliminate duplicates Z: 6 10.928 1.870 0.708 0.588 1.000 0.800 CB 1.405 Z: 6 3.766 1.567 0.258 0.436 0.800 0.400 CA 1.141 Z: 13 30.555 2.079 0.879 0.871 1.000 0.667 CA 1.646 13 residues pruned to eliminate duplicates Z: 10 7.166 1.907 0.198 0.433 1.000 0.333 CB 1.120 10 residues pruned to eliminate duplicates Z: 6 2.150 1.576 -0.236 0.642 1.000 0.600 CB 0.699 Z: 7 5.108 1.821 0.161 0.876 1.000 1.000 CB 0.717 7 residues pruned to eliminate duplicates Z: 6 2.993 1.519 0.099 0.269 0.800 0.600 O 1.303 Z: 23 10.500 1.909 0.281 0.457 0.909 0.636 CB 1.052 6 residues pruned to eliminate duplicates Z: 7 5.989 1.658 1.109 0.267 1.000 0.667 CB 0.913 6 1.952 1.276 0.148 0.387 1.000 0.400 CB 0.672 ? Z: 7 5.802 1.925 0.208 0.651 0.833 0.667 CB 1.062 7 residues pruned to eliminate duplicates Z: 8 7.406 1.794 0.339 0.604 0.857 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 6 3.127 1.289 0.638 0.582 0.800 0.800 CB 0.765 Z: 21 15.631 1.916 0.840 0.327 0.950 0.450 CB 1.262 19 residues pruned to eliminate duplicates Z: 22 31.754 2.199 0.728 0.732 0.952 0.429 CB 1.554 22 residues pruned to eliminate duplicates Z: 11 3.880 1.539 0.132 0.405 0.800 0.400 CB 0.973 11 residues pruned to eliminate duplicates 6 1.797 1.420 -0.221 0.413 0.800 0.800 CB 0.994 ? Z: 22 12.470 1.827 0.319 0.455 0.857 0.571 CA 1.379 32 residues pruned to eliminate duplicates Z: 24 14.966 1.972 0.371 0.333 0.957 0.609 CB 1.449 24 residues pruned to eliminate duplicates Z: 6 4.211 1.604 0.456 0.466 0.800 0.600 CA 1.043 6 residues pruned to eliminate duplicates Z: 18 27.177 2.079 0.763 0.872 1.000 0.529 CB 1.310 18 residues pruned to eliminate duplicates Z: 6 2.821 1.440 0.545 0.316 0.600 0.400 N 1.158 Z: 9 3.572 1.358 0.349 0.567 0.875 0.375 CB 0.738 Z: 9 2.827 1.284 0.852 0.310 0.875 0.500 CA 0.593 Z: 20 23.682 2.024 0.870 0.907 0.895 0.684 CB 1.140 20 residues pruned to eliminate duplicates Z: 29 16.068 1.820 0.467 0.368 0.964 0.679 CB 1.360 29 residues pruned to eliminate duplicates Z: 7 6.923 1.951 0.608 0.246 0.833 0.333 CB 1.448 7 residues pruned to eliminate duplicates Z: 15 10.643 2.048 0.616 0.338 0.786 0.500 CB 1.305 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 10.567 2.080 0.174 0.692 0.857 0.857 CA 1.601 8 residues pruned to eliminate duplicates Z: 8 9.317 1.896 0.350 0.693 0.857 0.714 CB 1.345 19 residues pruned to eliminate duplicates Z: 7 4.056 1.494 0.041 0.489 1.000 0.500 CA 1.076 4 residues pruned to eliminate duplicates Z: 22 27.313 1.916 0.604 0.902 1.000 0.667 CA 1.384 20 residues pruned to eliminate duplicates Z: 14 24.606 1.980 0.668 0.924 1.000 0.692 CA 1.451 14 residues pruned to eliminate duplicates Z: 16 21.746 1.943 0.323 0.891 1.000 0.667 CA 1.571 16 residues pruned to eliminate duplicates Z: 11 5.703 1.739 0.407 0.416 0.800 0.400 CA 1.007 11 residues pruned to eliminate duplicates Z: 14 19.420 1.987 0.580 0.714 1.000 0.846 CA 1.413 14 residues pruned to eliminate duplicates Z: 22 24.351 1.876 0.611 0.854 0.905 0.381 CA 1.436 22 residues pruned to eliminate duplicates Z: 24 19.208 1.822 0.548 0.778 0.870 0.652 CA 1.277 24 residues pruned to eliminate duplicates Z: 23 23.841 1.878 0.588 0.820 0.909 0.636 CA 1.420 23 residues pruned to eliminate duplicates Z: 23 23.003 1.882 0.584 0.806 0.909 0.591 CA 1.386 23 residues pruned to eliminate duplicates Z: 22 21.486 1.903 0.423 0.827 0.905 0.476 CA 1.442 22 residues pruned to eliminate duplicates Z: 22 23.664 1.854 0.521 0.787 1.000 0.476 CA 1.423 22 residues pruned to eliminate duplicates Z: 55 31.663 1.950 0.587 0.565 0.870 0.315 CA 1.503 57 residues pruned to eliminate duplicates Z: 17 19.521 1.809 0.681 0.849 0.875 0.625 CA 1.360 17 residues pruned to eliminate duplicates Z: 24 21.060 1.839 0.713 0.762 0.870 0.565 CA 1.270 24 residues pruned to eliminate duplicates Z: 15 12.322 1.939 0.418 0.481 0.857 0.643 CA 1.424 15 residues pruned to eliminate duplicates Z: 11 14.021 2.049 0.614 0.356 1.000 0.700 CA 1.566 11 residues pruned to eliminate duplicates Z: 13 13.373 2.025 0.589 0.500 0.833 0.667 CA 1.440 13 residues pruned to eliminate duplicates Z: 10 10.497 2.081 0.621 0.371 0.778 0.556 CA 1.531 10 residues pruned to eliminate duplicates Z: 16 14.848 1.905 0.524 0.507 1.000 0.667 CB 1.312 17 residues pruned to eliminate duplicates Z: 6 4.679 1.781 0.717 0.357 0.800 0.600 CA 0.998 6 residues pruned to eliminate duplicates Z: 16 14.734 1.874 0.499 0.540 0.933 0.600 CB 1.395 17 residues pruned to eliminate duplicates Z: 6 2.704 1.262 0.307 0.273 1.000 0.400 CA 0.948 6 residues pruned to eliminate duplicates Z: 15 14.056 1.918 0.710 0.493 0.857 0.643 CA 1.346 15 residues pruned to eliminate duplicates Z: 10 10.999 1.863 0.691 0.384 1.000 0.333 CA 1.317 19 residues pruned to eliminate duplicates Z: 32 20.795 1.891 0.596 0.451 0.968 0.355 CA 1.345 42 residues pruned to eliminate duplicates Z: 11 8.647 1.773 0.988 0.286 0.800 0.500 CB 1.234 Z: 11 11.829 1.857 0.950 0.410 0.900 0.400 CB 1.261 11 residues pruned to eliminate duplicates Z: 11 7.286 1.806 0.635 0.509 0.800 0.600 CB 0.967 11 residues pruned to eliminate duplicates Z: 10 7.157 1.865 0.582 0.318 0.889 0.556 CB 1.112 10 residues pruned to eliminate duplicates Z: 11 7.968 1.851 0.695 0.365 0.800 0.400 CA 1.161 11 residues pruned to eliminate duplicates Z: 13 8.079 1.684 0.860 0.363 0.833 0.250 CB 1.036 10 residues pruned to eliminate duplicates Z: 6 6.156 1.635 0.436 0.354 1.000 0.000 C 1.373 5 residues pruned to eliminate duplicates Z: 14 6.538 1.653 0.592 0.319 0.769 0.385 CB 1.094 14 residues pruned to eliminate duplicates Z: 36 23.896 1.979 0.474 0.491 0.914 0.600 CB 1.528 36 residues pruned to eliminate duplicates Z: 44 23.765 1.930 0.514 0.463 0.930 0.558 CA 1.384 44 residues pruned to eliminate duplicates Z: 11 14.814 1.892 0.601 0.716 0.900 0.500 CB 1.413 11 residues pruned to eliminate duplicates Z: 37 22.873 1.930 0.506 0.420 0.944 0.611 CA 1.509 37 residues pruned to eliminate duplicates Z: 42 22.840 1.902 0.571 0.489 0.829 0.463 CA 1.455 42 residues pruned to eliminate duplicates Z: 40 27.687 1.956 0.618 0.546 0.923 0.538 CA 1.451 40 residues pruned to eliminate duplicates Z: 38 30.313 2.036 0.691 0.543 0.892 0.514 CA 1.557 38 residues pruned to eliminate duplicates Z: 18 22.241 1.937 0.714 0.637 0.882 0.529 CA 1.619 18 residues pruned to eliminate duplicates Z: 17 22.622 1.972 0.962 0.698 0.812 0.375 CA 1.502 17 residues pruned to eliminate duplicates Z: 35 29.380 2.061 0.637 0.508 0.912 0.471 CA 1.624 35 residues pruned to eliminate duplicates Z: 35 27.084 2.048 0.581 0.519 0.882 0.471 CB 1.595 35 residues pruned to eliminate duplicates Z: 36 25.085 2.000 0.675 0.499 0.800 0.486 CA 1.585 36 residues pruned to eliminate duplicates Z: 36 24.616 2.017 0.702 0.443 0.857 0.429 CB 1.500 36 residues pruned to eliminate duplicates Z: 32 23.026 2.035 0.585 0.429 0.871 0.516 CA 1.584 32 residues pruned to eliminate duplicates Z: 33 24.772 2.037 0.552 0.418 0.938 0.438 CB 1.610 33 residues pruned to eliminate duplicates Z: 35 31.127 2.065 0.634 0.527 0.912 0.500 CA 1.688 35 residues pruned to eliminate duplicates Z: 33 26.201 2.024 0.494 0.531 0.938 0.625 CB 1.585 37 residues pruned to eliminate duplicates Z: 6 2.622 1.475 0.552 0.292 0.800 0.400 CA 0.808 Z: 10 8.026 1.797 0.483 0.591 0.778 0.444 CB 1.184 12 residues pruned to eliminate duplicates Z: 8 8.383 1.873 0.540 0.673 0.857 0.429 CA 1.093 9 residues pruned to eliminate duplicates Z: 8 8.046 1.688 0.553 0.831 0.857 0.571 CA 1.016 8 residues pruned to eliminate duplicates Z: 7 7.454 1.754 0.719 0.861 0.833 0.500 CA 0.890 7 residues pruned to eliminate duplicates Z: 38 26.295 1.985 0.647 0.545 0.838 0.486 CB 1.511 38 residues pruned to eliminate duplicates Z: 35 26.397 2.023 0.605 0.502 0.912 0.529 CB 1.527 35 residues pruned to eliminate duplicates Z: 10 10.198 2.002 0.381 0.486 1.000 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 6 9.521 1.642 1.568 0.447 0.800 0.600 CA 1.332 8 residues pruned to eliminate duplicates 7 1.686 1.552 -0.029 0.322 0.667 0.333 CB 0.834 ? Z: 6 6.220 1.859 0.271 0.374 1.000 0.400 CA 1.347 5 residues pruned to eliminate duplicates Z: 7 9.130 1.892 0.770 0.466 1.000 0.667 CA 1.153 7 residues pruned to eliminate duplicates Z: 20 18.535 1.958 0.496 0.493 0.947 0.526 CA 1.542 14 residues pruned to eliminate duplicates Z: 7 9.601 1.622 0.796 0.530 1.000 0.833 CA 1.306 7 residues pruned to eliminate duplicates Z: 16 16.232 1.929 0.616 0.546 0.867 0.667 CA 1.482 16 residues pruned to eliminate duplicates Z: 23 14.339 1.832 0.448 0.449 0.864 0.545 CB 1.407 23 residues pruned to eliminate duplicates Z: 15 16.854 2.034 0.613 0.531 0.857 0.571 CA 1.553 15 residues pruned to eliminate duplicates Z: 15 14.652 1.921 0.474 0.541 0.929 0.643 CA 1.431 15 residues pruned to eliminate duplicates Z: 16 14.453 1.939 0.589 0.507 0.800 0.667 CB 1.503 16 residues pruned to eliminate duplicates Z: 17 13.384 1.923 0.500 0.466 0.812 0.438 CA 1.478 17 residues pruned to eliminate duplicates Z: 21 15.356 1.802 0.444 0.536 0.950 0.450 CB 1.341 21 residues pruned to eliminate duplicates Z: 22 12.192 1.838 0.359 0.472 0.762 0.571 CB 1.439 22 residues pruned to eliminate duplicates Z: 20 15.440 1.969 0.370 0.454 0.895 0.526 CA 1.539 20 residues pruned to eliminate duplicates Z: 22 10.461 1.861 0.171 0.376 0.810 0.333 CB 1.476 22 residues pruned to eliminate duplicates Z: 7 4.518 1.824 -0.052 0.515 0.833 0.500 CB 1.262 7 residues pruned to eliminate duplicates Z: 6 4.039 1.861 0.021 0.474 0.800 0.600 CB 1.220 6 residues pruned to eliminate duplicates Z: 6 4.124 1.885 0.036 0.508 0.800 0.600 CB 1.172 5 residues pruned to eliminate duplicates Z: 6 3.100 1.742 0.216 0.356 0.800 0.600 N 0.956 6 residues pruned to eliminate duplicates Z: 11 17.908 2.089 0.831 0.614 1.000 0.700 CA 1.329 12 residues pruned to eliminate duplicates Z: 10 17.410 2.077 0.759 0.737 1.000 0.556 CA 1.284 11 residues pruned to eliminate duplicates Z: 12 14.184 1.964 0.642 0.557 1.000 0.636 CB 1.254 12 residues pruned to eliminate duplicates Z: 15 15.719 1.818 0.993 0.520 0.857 0.500 CA 1.326 11 residues pruned to eliminate duplicates Z: 11 21.246 2.116 1.043 0.658 1.000 0.700 CA 1.342 11 residues pruned to eliminate duplicates Z: 12 17.611 1.968 1.081 0.626 0.909 0.545 CA 1.267 16 residues pruned to eliminate duplicates Z: 7 5.920 1.887 0.468 0.462 0.667 0.500 CA 1.360 7 residues pruned to eliminate duplicates Z: 7 5.106 2.007 0.367 0.284 0.667 0.333 N 1.453 9 residues pruned to eliminate duplicates Z: 6 2.692 1.812 0.279 0.424 0.600 0.600 CA 0.937 6 residues pruned to eliminate duplicates Z: 11 5.011 1.655 0.416 0.343 0.700 0.300 CA 1.146 8 residues pruned to eliminate duplicates Z: 7 4.844 1.708 0.179 0.300 0.833 0.333 N 1.474 7 residues pruned to eliminate duplicates Z: 32 18.147 1.954 0.452 0.330 0.935 0.581 CA 1.479 32 residues pruned to eliminate duplicates Z: 12 5.818 1.743 0.471 0.305 0.727 0.455 N 1.169 12 residues pruned to eliminate duplicates Z: 24 10.572 1.817 0.351 0.310 0.826 0.609 CB 1.342 24 residues pruned to eliminate duplicates Z: 23 12.003 1.899 0.392 0.294 0.909 0.636 CB 1.341 23 residues pruned to eliminate duplicates Z: 24 16.283 1.975 0.382 0.342 1.000 0.478 CA 1.477 24 residues pruned to eliminate duplicates Z: 12 7.193 1.834 0.399 0.316 0.727 0.455 CB 1.424 12 residues pruned to eliminate duplicates Z: 33 17.406 1.890 0.458 0.339 0.875 0.562 CA 1.521 34 residues pruned to eliminate duplicates Z: 7 3.743 1.642 0.396 0.466 0.667 0.500 CA 1.035 7 residues pruned to eliminate duplicates Z: 26 15.852 1.935 0.340 0.335 0.960 0.440 CB 1.526 26 residues pruned to eliminate duplicates Z: 32 16.795 1.918 0.380 0.327 0.935 0.548 CA 1.474 32 residues pruned to eliminate duplicates Z: 34 18.943 1.901 0.457 0.337 0.939 0.545 CA 1.515 34 residues pruned to eliminate duplicates Z: 6 3.772 1.632 0.415 0.304 1.000 0.400 CB 0.908 6 residues pruned to eliminate duplicates Z: 24 14.856 1.978 0.351 0.299 0.957 0.522 CB 1.517 24 residues pruned to eliminate duplicates Z: 35 16.196 1.910 0.320 0.297 0.941 0.529 CB 1.468 35 residues pruned to eliminate duplicates Z: 15 10.146 1.954 0.372 0.248 0.857 0.500 CA 1.578 15 residues pruned to eliminate duplicates Z: 23 16.198 1.988 0.385 0.356 1.000 0.591 CB 1.464 23 residues pruned to eliminate duplicates Z: 25 16.599 1.989 0.356 0.334 0.958 0.583 CB 1.572 25 residues pruned to eliminate duplicates Z: 35 17.551 1.905 0.285 0.364 0.941 0.647 CB 1.512 35 residues pruned to eliminate duplicates Z: 30 17.877 1.981 0.423 0.333 0.931 0.552 CB 1.519 30 residues pruned to eliminate duplicates Z: 31 16.548 1.949 0.361 0.333 0.933 0.600 CA 1.466 31 residues pruned to eliminate duplicates Z: 40 18.168 1.921 0.321 0.347 0.923 0.487 CA 1.465 41 residues pruned to eliminate duplicates Z: 6 4.725 1.489 0.676 0.353 1.000 0.800 N 0.993 6 residues pruned to eliminate duplicates Z: 33 14.476 1.856 0.431 0.339 0.844 0.562 CA 1.361 33 residues pruned to eliminate duplicates Z: 17 13.266 1.874 0.479 0.472 0.812 0.438 CA 1.516 17 residues pruned to eliminate duplicates Z: 14 6.366 1.780 0.258 0.386 0.692 0.462 CB 1.285 14 residues pruned to eliminate duplicates Z: 40 22.213 1.944 0.527 0.430 0.872 0.462 CB 1.478 40 residues pruned to eliminate duplicates Z: 8 5.507 1.712 0.475 0.359 0.714 0.571 CA 1.343 8 residues pruned to eliminate duplicates Z: 13 4.931 1.762 0.195 0.303 0.583 0.250 CA 1.442 13 residues pruned to eliminate duplicates Z: 18 9.476 1.709 0.476 0.357 0.824 0.529 CB 1.292 18 residues pruned to eliminate duplicates Z: 14 8.841 1.800 0.499 0.408 0.769 0.385 N 1.302 14 residues pruned to eliminate duplicates Z: 28 12.676 1.841 0.278 0.477 0.889 0.593 CB 1.193 28 residues pruned to eliminate duplicates Z: 21 11.575 1.840 0.380 0.459 0.800 0.550 CB 1.329 22 residues pruned to eliminate duplicates Z: 6 3.771 1.591 0.158 0.262 1.000 0.400 CA 1.200 6 residues pruned to eliminate duplicates Z: 21 8.837 1.884 0.203 0.334 0.750 0.400 CA 1.393 21 residues pruned to eliminate duplicates Z: 23 13.004 1.912 0.315 0.424 0.864 0.500 CB 1.382 23 residues pruned to eliminate duplicates Z: 18 10.917 1.963 0.158 0.448 0.882 0.471 CB 1.393 18 residues pruned to eliminate duplicates Z: 10 8.144 2.005 0.233 0.528 0.778 0.667 CB 1.374 10 residues pruned to eliminate duplicates Z: 28 9.927 1.837 0.301 0.286 0.741 0.370 CB 1.373 28 residues pruned to eliminate duplicates Z: 6 3.659 1.835 0.269 0.380 0.800 0.600 CB 0.998 6 residues pruned to eliminate duplicates Z: 6 3.256 1.752 0.252 0.478 0.800 0.600 CB 0.849 6 residues pruned to eliminate duplicates Z: 9 7.773 1.869 0.356 0.474 0.875 0.500 CB 1.272 8 residues pruned to eliminate duplicates Z: 7 9.711 1.655 0.886 0.527 1.000 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 26 14.999 1.926 0.340 0.369 0.920 0.360 CA 1.455 26 residues pruned to eliminate duplicates Z: 21 13.792 2.021 0.330 0.394 0.900 0.450 CA 1.427 21 residues pruned to eliminate duplicates Z: 24 11.856 1.828 0.416 0.389 0.957 0.348 CA 1.123 24 residues pruned to eliminate duplicates Z: 23 12.274 1.903 0.355 0.360 1.000 0.636 CA 1.180 23 residues pruned to eliminate duplicates Z: 24 15.227 1.955 0.371 0.412 0.913 0.478 CB 1.422 24 residues pruned to eliminate duplicates Z: 19 12.022 1.986 0.314 0.369 0.944 0.500 CA 1.323 19 residues pruned to eliminate duplicates Z: 24 12.644 1.923 0.426 0.313 1.000 0.478 CA 1.182 24 residues pruned to eliminate duplicates Z: 23 14.723 2.004 0.418 0.367 0.864 0.455 CA 1.475 23 residues pruned to eliminate duplicates Z: 18 11.589 2.014 0.321 0.359 0.941 0.529 CA 1.307 18 residues pruned to eliminate duplicates Z: 19 11.842 2.020 0.369 0.294 0.944 0.556 CA 1.346 19 residues pruned to eliminate duplicates Z: 26 12.008 1.860 0.350 0.345 0.920 0.400 CA 1.229 26 residues pruned to eliminate duplicates Z: 21 13.802 1.981 0.429 0.414 0.900 0.400 CA 1.325 21 residues pruned to eliminate duplicates Z: 31 15.892 2.017 0.434 0.415 0.833 0.600 CA 1.316 30 residues pruned to eliminate duplicates Z: 6 2.062 1.424 0.086 0.292 1.000 0.400 CA 0.753 6 residues pruned to eliminate duplicates Z: 23 18.237 2.085 0.676 0.485 0.909 0.636 CB 1.242 25 residues pruned to eliminate duplicates Z: 6 5.718 1.485 0.707 0.497 1.000 0.600 CA 1.012 6 residues pruned to eliminate duplicates Z: 51 23.159 2.019 0.566 0.395 0.860 0.520 CA 1.346 51 residues pruned to eliminate duplicates Z: 25 16.547 2.035 0.666 0.447 0.875 0.542 CB 1.202 25 residues pruned to eliminate duplicates Z: 19 8.374 1.868 0.294 0.228 0.833 0.444 CB 1.346 19 residues pruned to eliminate duplicates Z: 22 13.494 2.043 0.299 0.319 0.857 0.333 CA 1.581 22 residues pruned to eliminate duplicates Z: 21 13.637 2.116 0.337 0.300 0.850 0.250 CA 1.584 21 residues pruned to eliminate duplicates Z: 17 9.555 2.105 0.217 0.261 0.750 0.312 CA 1.635 17 residues pruned to eliminate duplicates Z: 10 4.020 1.914 0.296 0.317 0.556 0.222 N 1.190 10 residues pruned to eliminate duplicates Z: 19 12.671 2.179 0.256 0.379 0.722 0.500 CB 1.719 19 residues pruned to eliminate duplicates Z: 17 10.432 2.111 0.085 0.379 0.812 0.438 CB 1.596 17 residues pruned to eliminate duplicates Z: 14 13.942 2.262 0.359 0.360 0.846 0.462 CB 1.729 14 residues pruned to eliminate duplicates Z: 18 11.349 2.072 0.243 0.380 0.765 0.471 CB 1.588 18 residues pruned to eliminate duplicates Z: 12 9.477 2.113 0.289 0.309 0.818 0.455 CB 1.585 12 residues pruned to eliminate duplicates Z: 17 12.224 2.068 0.301 0.353 0.875 0.312 CA 1.522 17 residues pruned to eliminate duplicates Z: 9 3.621 1.707 -0.059 0.430 0.750 0.250 CB 1.142 9 residues pruned to eliminate duplicates Z: 33 13.889 2.147 0.145 0.329 0.781 0.344 CB 1.543 23 residues pruned to eliminate duplicates Z: 6 2.446 1.406 0.609 0.347 0.800 0.600 CA 0.713 6 residues pruned to eliminate duplicates Z: 18 7.290 2.011 0.107 0.189 0.882 0.235 CA 1.308 18 residues pruned to eliminate duplicates Z: 19 6.173 1.970 0.286 0.162 0.778 0.222 CB 1.115 19 residues pruned to eliminate duplicates Z: 13 9.161 2.178 0.229 0.229 0.917 0.167 CB 1.479 13 residues pruned to eliminate duplicates Z: 21 9.316 1.958 0.369 0.175 0.800 0.250 CB 1.440 21 residues pruned to eliminate duplicates Z: 18 7.370 2.031 0.207 0.152 0.824 0.235 CB 1.357 18 residues pruned to eliminate duplicates Z: 9 6.979 2.218 0.189 0.186 0.875 0.625 CB 1.559 9 residues pruned to eliminate duplicates Z: 12 7.201 2.259 0.376 0.218 0.636 0.273 CB 1.530 12 residues pruned to eliminate duplicates Z: 13 8.009 2.153 0.122 0.224 0.833 0.333 CB 1.586 13 residues pruned to eliminate duplicates Z: 10 5.553 2.050 0.224 0.199 0.778 0.222 CB 1.357 14 residues pruned to eliminate duplicates Z: 9 9.649 2.222 0.653 0.316 1.000 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 26 21.270 2.220 0.631 0.438 0.920 0.640 CB 1.362 26 residues pruned to eliminate duplicates Z: 26 18.768 2.243 0.553 0.432 0.920 0.600 CB 1.256 26 residues pruned to eliminate duplicates Z: 26 24.108 2.262 0.775 0.482 0.920 0.640 CB 1.329 26 residues pruned to eliminate duplicates Z: 26 22.814 2.255 0.723 0.478 0.920 0.680 CB 1.306 26 residues pruned to eliminate duplicates Z: 31 21.710 2.129 0.726 0.398 0.867 0.500 CB 1.387 31 residues pruned to eliminate duplicates Z: 27 21.540 2.217 0.673 0.457 0.846 0.692 CB 1.406 27 residues pruned to eliminate duplicates Z: 25 21.997 2.191 0.806 0.480 0.917 0.667 CB 1.262 25 residues pruned to eliminate duplicates Z: 17 14.631 2.087 0.553 0.396 0.875 0.438 CB 1.439 17 residues pruned to eliminate duplicates Z: 63 34.541 2.123 0.592 0.438 0.919 0.581 CB 1.504 63 residues pruned to eliminate duplicates Z: 22 17.599 2.099 0.573 0.485 0.857 0.762 CB 1.378 22 residues pruned to eliminate duplicates Z: 28 18.909 2.210 0.633 0.402 0.889 0.704 CB 1.258 39 residues pruned to eliminate duplicates Z: 22 11.923 2.089 0.494 0.281 0.905 0.381 CB 1.180 22 residues pruned to eliminate duplicates Z: 23 17.040 2.132 0.425 0.470 0.955 0.545 CB 1.292 23 residues pruned to eliminate duplicates Z: 17 14.669 2.272 0.467 0.287 0.938 0.375 CB 1.493 17 residues pruned to eliminate duplicates Z: 15 13.711 2.238 0.654 0.294 0.786 0.500 CA 1.586 15 residues pruned to eliminate duplicates Z: 18 11.878 2.156 0.354 0.246 0.882 0.353 CA 1.500 18 residues pruned to eliminate duplicates Z: 43 28.900 2.152 0.562 0.463 0.929 0.690 CB 1.484 49 residues pruned to eliminate duplicates 6 1.715 1.774 0.058 0.104 0.800 0.400 CB 0.845 ? Z: 6 3.265 1.643 0.138 0.281 0.800 0.600 CA 1.250 6 residues pruned to eliminate duplicates Z: 34 22.931 2.163 0.654 0.355 0.909 0.606 CA 1.436 34 residues pruned to eliminate duplicates Z: 20 10.060 1.923 0.363 0.318 0.789 0.579 CA 1.363 20 residues pruned to eliminate duplicates Z: 24 18.120 1.975 0.340 0.572 0.957 0.783 CB 1.392 24 residues pruned to eliminate duplicates Z: 27 23.845 2.082 0.390 0.654 0.923 0.769 CB 1.517 27 residues pruned to eliminate duplicates Z: 27 21.427 2.026 0.526 0.520 0.846 0.577 CB 1.576 27 residues pruned to eliminate duplicates Z: 15 12.443 2.053 0.401 0.376 0.857 0.714 CA 1.539 15 residues pruned to eliminate duplicates Z: 45 33.195 2.202 0.604 0.534 0.886 0.591 CB 1.546 45 residues pruned to eliminate duplicates Z: 25 26.338 2.167 0.433 0.586 0.958 0.625 CB 1.663 25 residues pruned to eliminate duplicates Z: 18 24.393 2.099 0.607 0.877 1.000 0.706 CB 1.274 18 residues pruned to eliminate duplicates Z: 48 29.632 2.190 0.583 0.419 0.894 0.532 CB 1.519 48 residues pruned to eliminate duplicates Z: 17 24.578 2.159 0.527 0.881 1.000 0.688 CB 1.349 22 residues pruned to eliminate duplicates Z: 17 21.545 2.140 0.488 0.881 1.000 0.750 CB 1.225 17 residues pruned to eliminate duplicates Z: 34 25.746 1.960 0.508 0.630 0.939 0.636 CB 1.428 34 residues pruned to eliminate duplicates Z: 30 26.026 2.050 0.626 0.619 0.931 0.586 CB 1.393 30 residues pruned to eliminate duplicates Z: 30 28.784 2.086 0.592 0.621 0.897 0.655 CA 1.602 30 residues pruned to eliminate duplicates Z: 17 26.821 2.156 0.687 0.908 1.000 0.812 CB 1.309 17 residues pruned to eliminate duplicates Z: 39 31.019 2.189 0.559 0.526 0.921 0.553 CB 1.562 39 residues pruned to eliminate duplicates Z: 25 33.759 2.159 0.674 0.726 0.958 0.833 CB 1.623 25 residues pruned to eliminate duplicates Z: 27 25.782 2.119 0.569 0.559 0.885 0.692 CA 1.624 27 residues pruned to eliminate duplicates Z: 54 34.817 2.181 0.622 0.485 0.925 0.604 CB 1.485 26 residues pruned to eliminate duplicates Z: 9 12.907 1.876 0.843 0.823 1.000 0.875 CB 0.997 9 residues pruned to eliminate duplicates Z: 10 13.987 1.876 0.477 0.859 1.000 0.667 CB 1.238 9 residues pruned to eliminate duplicates Z: 10 13.240 1.842 0.376 0.822 1.000 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 10 13.882 1.847 0.587 0.813 0.889 0.444 CA 1.353 10 residues pruned to eliminate duplicates Z: 11 15.945 1.757 0.683 0.870 1.000 0.700 CA 1.245 11 residues pruned to eliminate duplicates Z: 6 4.330 1.526 0.808 0.299 0.800 0.400 CA 1.098 5 residues pruned to eliminate duplicates Z: 9 10.507 1.785 0.851 0.475 1.000 0.625 CB 1.153 9 residues pruned to eliminate duplicates Z: 12 6.642 1.879 0.606 0.267 0.727 0.273 CB 1.190 12 residues pruned to eliminate duplicates Z: 12 8.647 1.836 0.716 0.350 0.818 0.455 CB 1.189 12 residues pruned to eliminate duplicates Z: 22 17.093 2.041 0.779 0.333 0.905 0.524 CB 1.363 21 residues pruned to eliminate duplicates Z: 9 6.334 1.637 0.642 0.516 0.750 0.500 CA 1.093 9 residues pruned to eliminate duplicates Z: 20 16.137 2.114 0.667 0.359 0.895 0.579 CB 1.367 20 residues pruned to eliminate duplicates Z: 22 13.752 1.999 0.749 0.411 0.714 0.429 CB 1.319 22 residues pruned to eliminate duplicates Z: 25 11.657 1.937 0.610 0.281 0.875 0.500 CB 1.116 25 residues pruned to eliminate duplicates Z: 25 15.642 1.924 0.756 0.344 0.875 0.500 CB 1.279 25 residues pruned to eliminate duplicates Z: 28 11.942 1.989 0.757 0.330 0.778 0.444 CB 1.019 28 residues pruned to eliminate duplicates Z: 12 16.694 2.079 0.900 0.517 0.909 0.636 CA 1.379 14 residues pruned to eliminate duplicates Z: 6 3.009 1.901 0.459 0.271 0.400 0.400 CB 1.572 6 residues pruned to eliminate duplicates Z: 22 15.894 2.049 0.794 0.362 0.857 0.524 CB 1.277 22 residues pruned to eliminate duplicates Z: 13 12.298 2.016 0.590 0.467 0.917 0.417 CA 1.249 13 residues pruned to eliminate duplicates Z: 12 15.119 2.042 0.949 0.525 0.909 0.545 CB 1.229 12 residues pruned to eliminate duplicates Z: 13 15.650 1.997 1.006 0.500 0.833 0.583 CA 1.354 13 residues pruned to eliminate duplicates Z: 59 45.391 2.223 0.619 0.591 0.948 0.603 CB 1.600 59 residues pruned to eliminate duplicates Z: 65 39.197 2.230 0.534 0.533 0.922 0.609 CB 1.504 65 residues pruned to eliminate duplicates Z: 64 37.259 2.166 0.612 0.514 0.905 0.492 CB 1.466 64 residues pruned to eliminate duplicates Z: 63 38.501 2.196 0.511 0.517 0.935 0.452 CB 1.548 63 residues pruned to eliminate duplicates Z: 35 32.503 2.188 0.483 0.614 1.000 0.618 CB 1.543 35 residues pruned to eliminate duplicates Z: 46 34.097 2.212 0.426 0.632 0.911 0.756 CB 1.563 46 residues pruned to eliminate duplicates Z: 38 33.091 2.200 0.539 0.636 0.892 0.622 CA 1.587 38 residues pruned to eliminate duplicates Z: 62 41.188 2.241 0.509 0.545 0.934 0.623 CB 1.596 88 residues pruned to eliminate duplicates Z: 11 28.808 2.239 1.004 0.887 0.900 0.900 CB 1.627 11 residues pruned to eliminate duplicates Z: 34 32.146 2.165 0.457 0.700 0.970 0.727 CA 1.524 34 residues pruned to eliminate duplicates Z: 31 29.496 2.027 0.691 0.577 0.933 0.633 CB 1.564 31 residues pruned to eliminate duplicates Z: 75 40.349 2.197 0.478 0.545 0.878 0.608 CB 1.575 75 residues pruned to eliminate duplicates Z: 62 39.752 2.230 0.585 0.550 0.902 0.623 CB 1.521 62 residues pruned to eliminate duplicates Z: 61 42.349 2.239 0.606 0.545 0.917 0.533 CB 1.588 61 residues pruned to eliminate duplicates Z: 43 35.666 2.192 0.483 0.632 0.952 0.619 CB 1.570 43 residues pruned to eliminate duplicates Z: 64 42.556 2.191 0.637 0.546 0.952 0.492 CB 1.499 48 residues pruned to eliminate duplicates Z: 22 35.603 2.260 0.427 0.886 1.000 0.714 CA 1.738 22 residues pruned to eliminate duplicates Z: 63 39.794 2.217 0.589 0.511 0.935 0.565 CB 1.517 62 residues pruned to eliminate duplicates Z: 23 37.217 2.170 0.612 0.877 0.955 0.773 CB 1.725 23 residues pruned to eliminate duplicates Z: 75 43.735 2.192 0.525 0.558 0.919 0.581 CB 1.565 75 residues pruned to eliminate duplicates Z: 67 37.752 2.199 0.565 0.517 0.909 0.530 CB 1.461 67 residues pruned to eliminate duplicates Z: 63 39.445 2.229 0.504 0.534 0.935 0.613 CB 1.545 63 residues pruned to eliminate duplicates Z: 74 37.016 2.149 0.647 0.480 0.877 0.452 CB 1.425 74 residues pruned to eliminate duplicates Z: 49 38.247 2.209 0.589 0.610 0.917 0.458 CB 1.546 49 residues pruned to eliminate duplicates Z: 62 43.064 2.250 0.549 0.548 0.934 0.525 CB 1.616 62 residues pruned to eliminate duplicates Z: 63 43.796 2.241 0.577 0.579 0.935 0.597 CB 1.559 38 residues pruned to eliminate duplicates Z: 6 2.935 1.687 0.054 0.322 1.000 0.200 CB 0.898 5 residues pruned to eliminate duplicates Z: 10 8.885 2.180 -0.011 0.654 0.889 0.778 CB 1.339 10 residues pruned to eliminate duplicates Z: 74 42.936 2.145 0.710 0.504 0.932 0.452 CB 1.466 41 residues pruned to eliminate duplicates Z: 10 10.381 1.838 0.212 0.830 1.000 0.889 CB 1.169 10 residues pruned to eliminate duplicates Z: 51 39.017 2.168 0.559 0.612 0.960 0.500 CB 1.529 51 residues pruned to eliminate duplicates Z: 39 38.438 2.251 0.622 0.657 0.921 0.368 CB 1.602 39 residues pruned to eliminate duplicates Z: 12 13.277 1.907 0.262 0.716 0.909 0.636 CB 1.505 12 residues pruned to eliminate duplicates Z: 55 40.380 2.228 0.685 0.558 0.926 0.463 CB 1.493 55 residues pruned to eliminate duplicates Z: 21 15.306 2.244 0.568 0.436 0.850 0.450 CB 1.223 21 residues pruned to eliminate duplicates Z: 63 41.526 2.207 0.552 0.539 0.935 0.629 CB 1.583 44 residues pruned to eliminate duplicates Z: 13 9.071 1.933 0.240 0.658 0.833 0.500 CB 1.132 13 residues pruned to eliminate duplicates Z: 41 24.473 2.203 0.499 0.435 0.850 0.500 CB 1.474 41 residues pruned to eliminate duplicates Z: 62 47.118 2.274 0.563 0.585 0.967 0.557 CB 1.618 62 residues pruned to eliminate duplicates Z: 14 12.052 2.121 0.606 0.277 0.846 0.385 CB 1.493 Z: 30 21.906 2.219 0.721 0.472 0.862 0.448 CB 1.272 44 residues pruned to eliminate duplicates Z: 31 23.841 2.259 0.548 0.444 0.900 0.467 CB 1.465 31 residues pruned to eliminate duplicates Z: 71 43.892 2.200 0.662 0.531 0.929 0.486 CB 1.499 71 residues pruned to eliminate duplicates Z: 31 20.493 2.121 0.791 0.410 0.867 0.300 CB 1.249 31 residues pruned to eliminate duplicates Z: 62 42.464 2.245 0.612 0.550 0.934 0.541 CB 1.531 62 residues pruned to eliminate duplicates Z: 32 21.548 2.132 0.709 0.450 0.839 0.419 CB 1.334 32 residues pruned to eliminate duplicates Z: 27 20.961 2.187 0.840 0.362 0.808 0.423 CB 1.467 27 residues pruned to eliminate duplicates Z: 28 18.152 2.115 0.805 0.251 0.852 0.370 CB 1.431 28 residues pruned to eliminate duplicates Z: 62 44.917 2.246 0.660 0.553 0.918 0.574 CB 1.596 47 residues pruned to eliminate duplicates Z: 6 2.869 1.599 0.798 0.295 0.800 0.400 CB 0.701 6 residues pruned to eliminate duplicates Z: 62 46.989 2.253 0.611 0.576 0.934 0.492 CB 1.648 50 residues pruned to eliminate duplicates Z: 6 5.041 1.851 0.571 0.386 0.800 0.600 CA 1.094 6 residues pruned to eliminate duplicates Z: 31 20.411 2.160 0.604 0.360 0.833 0.333 CB 1.501 31 residues pruned to eliminate duplicates Z: 33 25.583 2.122 0.693 0.529 0.906 0.469 CB 1.349 33 residues pruned to eliminate duplicates Z: 7 4.330 1.628 0.547 0.431 0.833 0.167 CA 0.904 Z: 8 7.444 1.910 0.000 0.706 0.714 0.286 O 1.711 8 residues pruned to eliminate duplicates Z: 8 10.014 2.135 0.393 0.717 0.571 0.143 CB 1.829 7 residues pruned to eliminate duplicates Z: 9 7.306 1.790 0.378 0.700 0.625 0.500 N 1.396 9 residues pruned to eliminate duplicates Z: 7 4.758 2.152 0.217 0.729 0.333 0.167 CB 1.810 7 residues pruned to eliminate duplicates Z: 6 2.248 1.976 0.143 0.232 0.400 0.400 CA 1.520 3 residues pruned to eliminate duplicates Z: 7 3.478 1.823 0.108 0.467 0.500 0.167 N 1.453 8 residues pruned to eliminate duplicates Z: 7 4.488 1.543 0.629 0.359 0.833 0.167 CA 1.018 Z: 6 6.479 1.662 0.642 0.457 1.000 0.800 CA 1.109 6 residues pruned to eliminate duplicates Z: 11 6.994 1.860 0.157 0.474 0.800 0.600 CB 1.320 11 residues pruned to eliminate duplicates Z: 16 9.962 1.929 0.359 0.401 0.800 0.400 CB 1.361 23 residues pruned to eliminate duplicates Z: 14 9.134 1.943 0.384 0.382 0.846 0.462 CB 1.263 14 residues pruned to eliminate duplicates Z: 16 9.187 1.809 0.377 0.295 0.867 0.533 CB 1.382 16 residues pruned to eliminate duplicates Z: 37 18.669 1.973 0.477 0.351 0.833 0.556 CA 1.505 37 residues pruned to eliminate duplicates Z: 19 9.486 1.914 0.348 0.374 0.722 0.389 CB 1.372 19 residues pruned to eliminate duplicates Z: 12 6.165 1.941 -0.036 0.290 0.818 0.273 CA 1.537 12 residues pruned to eliminate duplicates Z: 27 11.474 1.998 0.236 0.350 0.769 0.500 CA 1.394 27 residues pruned to eliminate duplicates Z: 23 16.607 2.074 0.338 0.410 0.909 0.545 CA 1.543 23 residues pruned to eliminate duplicates Z: 35 19.600 2.037 0.423 0.366 0.882 0.618 CA 1.518 35 residues pruned to eliminate duplicates Z: 23 16.607 2.090 0.298 0.420 0.864 0.591 CB 1.643 23 residues pruned to eliminate duplicates Z: 24 14.744 2.046 0.280 0.398 0.870 0.609 CA 1.504 24 residues pruned to eliminate duplicates Z: 23 13.450 2.074 0.251 0.400 0.818 0.545 CA 1.502 23 residues pruned to eliminate duplicates Z: 24 13.157 2.045 0.268 0.381 0.826 0.565 CA 1.453 24 residues pruned to eliminate duplicates Z: 26 14.219 1.997 0.458 0.362 0.760 0.560 CA 1.490 26 residues pruned to eliminate duplicates Z: 23 17.053 2.056 0.471 0.413 0.864 0.636 CA 1.525 23 residues pruned to eliminate duplicates Z: 23 15.000 2.048 0.259 0.408 0.864 0.545 CA 1.582 23 residues pruned to eliminate duplicates Z: 21 16.345 2.035 0.458 0.459 0.850 0.550 CA 1.512 21 residues pruned to eliminate duplicates Z: 21 12.540 1.895 0.517 0.343 0.850 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 24 15.086 2.044 0.414 0.425 0.826 0.652 CA 1.426 24 residues pruned to eliminate duplicates Z: 23 19.093 2.083 0.519 0.412 0.909 0.591 CA 1.551 23 residues pruned to eliminate duplicates Z: 25 16.352 2.037 0.386 0.391 0.875 0.625 CA 1.518 25 residues pruned to eliminate duplicates Z: 24 15.689 1.997 0.488 0.368 0.913 0.565 CA 1.389 24 residues pruned to eliminate duplicates Z: 20 14.473 2.065 0.463 0.380 0.842 0.526 CA 1.483 20 residues pruned to eliminate duplicates Z: 21 13.427 2.032 0.509 0.323 0.850 0.550 CA 1.401 21 residues pruned to eliminate duplicates Z: 22 16.421 2.027 0.577 0.380 0.857 0.619 CA 1.487 22 residues pruned to eliminate duplicates Z: 24 17.638 2.047 0.473 0.432 0.870 0.652 CA 1.504 24 residues pruned to eliminate duplicates Z: 6 4.474 2.144 0.476 0.285 0.600 0.400 CA 1.343 6 residues pruned to eliminate duplicates Z: 39 33.819 2.189 0.553 0.610 0.921 0.763 CA 1.579 39 residues pruned to eliminate duplicates Z: 13 12.571 2.039 0.972 0.378 0.750 0.417 CA 1.370 13 residues pruned to eliminate duplicates Z: 40 31.462 2.130 0.599 0.629 0.872 0.718 CA 1.503 40 residues pruned to eliminate duplicates Z: 30 23.951 2.128 0.745 0.412 0.862 0.621 CA 1.524 30 residues pruned to eliminate duplicates Z: 39 35.437 2.171 0.742 0.595 0.895 0.500 CB 1.552 39 residues pruned to eliminate duplicates Z: 47 26.430 1.982 0.630 0.544 0.870 0.500 CB 1.329 47 residues pruned to eliminate duplicates Z: 18 13.865 2.112 0.662 0.797 0.647 0.353 CB 1.141 18 residues pruned to eliminate duplicates Z: 39 31.141 2.063 0.672 0.630 0.921 0.500 CB 1.407 39 residues pruned to eliminate duplicates Z: 54 38.678 2.090 0.591 0.625 0.925 0.774 CA 1.537 54 residues pruned to eliminate duplicates Z: 43 33.098 2.092 0.669 0.617 0.857 0.548 CB 1.528 43 residues pruned to eliminate duplicates Z: 58 39.812 2.099 0.728 0.620 0.877 0.561 CB 1.480 58 residues pruned to eliminate duplicates Z: 51 34.829 2.093 0.701 0.572 0.880 0.500 CB 1.466 58 residues pruned to eliminate duplicates Z: 20 21.223 2.122 0.648 0.799 0.789 0.263 CB 1.358 20 residues pruned to eliminate duplicates Z: 63 41.739 2.082 0.739 0.595 0.919 0.484 CA 1.454 63 residues pruned to eliminate duplicates Z: 64 41.183 2.051 0.763 0.589 0.889 0.524 CB 1.483 64 residues pruned to eliminate duplicates Z: 53 34.397 2.085 0.695 0.548 0.865 0.462 CB 1.488 53 residues pruned to eliminate duplicates Z: 15 14.348 1.813 0.622 0.687 0.929 0.357 CA 1.183 15 residues pruned to eliminate duplicates Z: 20 16.749 1.945 0.471 0.656 0.947 0.632 CB 1.226 20 residues pruned to eliminate duplicates Z: 71 33.878 1.995 0.428 0.537 0.914 0.643 CA 1.500 71 residues pruned to eliminate duplicates Z: 20 16.646 1.939 0.734 0.682 0.895 0.421 CA 1.074 20 residues pruned to eliminate duplicates Z: 59 36.801 2.002 0.674 0.624 0.879 0.517 CB 1.459 59 residues pruned to eliminate duplicates Z: 19 15.369 1.964 0.651 0.618 0.833 0.444 CA 1.199 19 residues pruned to eliminate duplicates Z: 21 18.514 1.931 0.718 0.612 0.900 0.350 CA 1.246 21 residues pruned to eliminate duplicates Z: 14 14.508 2.061 0.896 0.652 0.769 0.462 CA 1.162 14 residues pruned to eliminate duplicates Z: 22 23.339 2.024 0.864 0.510 0.905 0.429 CA 1.478 22 residues pruned to eliminate duplicates Z: 53 37.710 2.037 0.813 0.633 0.865 0.462 CB 1.444 53 residues pruned to eliminate duplicates Z: 22 19.855 1.980 0.843 0.578 0.905 0.429 CA 1.217 22 residues pruned to eliminate duplicates Z: 57 33.517 2.008 0.646 0.608 0.875 0.446 CB 1.397 57 residues pruned to eliminate duplicates Z: 55 40.126 2.070 0.725 0.602 0.907 0.667 CA 1.529 55 residues pruned to eliminate duplicates Z: 52 36.044 2.063 0.775 0.635 0.863 0.490 CB 1.407 52 residues pruned to eliminate duplicates Z: 45 41.678 2.073 0.856 0.654 0.932 0.500 CB 1.519 45 residues pruned to eliminate duplicates Z: 52 32.967 2.022 0.856 0.531 0.824 0.451 CB 1.449 52 residues pruned to eliminate duplicates Z: 55 31.482 2.082 0.555 0.587 0.833 0.667 CA 1.461 55 residues pruned to eliminate duplicates Z: 8 9.815 1.874 1.011 0.482 0.714 0.571 CA 1.404 Z: 41 30.334 2.109 0.579 0.592 0.900 0.625 CA 1.466 41 residues pruned to eliminate duplicates Z: 39 25.351 2.061 0.514 0.460 0.895 0.605 CA 1.533 39 residues pruned to eliminate duplicates Z: 47 29.517 2.074 0.503 0.569 0.870 0.652 CA 1.502 47 residues pruned to eliminate duplicates Z: 46 34.330 2.097 0.640 0.550 0.933 0.578 CA 1.519 47 residues pruned to eliminate duplicates Z: 6 2.528 1.878 -0.104 0.298 0.800 0.800 CA 1.053 6 residues pruned to eliminate duplicates Z: 40 24.733 2.080 0.508 0.519 0.872 0.641 CA 1.421 40 residues pruned to eliminate duplicates Z: 33 26.345 2.050 0.398 0.600 0.938 0.688 CB 1.576 33 residues pruned to eliminate duplicates Z: 33 19.820 2.016 0.472 0.427 0.906 0.594 CA 1.406 33 residues pruned to eliminate duplicates Z: 52 29.756 2.073 0.543 0.550 0.863 0.627 CA 1.438 52 residues pruned to eliminate duplicates Z: 40 33.637 2.150 0.624 0.585 0.923 0.718 CA 1.540 40 residues pruned to eliminate duplicates Z: 38 25.325 2.126 0.536 0.492 0.892 0.649 CA 1.442 38 residues pruned to eliminate duplicates Z: 41 27.490 2.118 0.420 0.556 0.900 0.650 CA 1.521 41 residues pruned to eliminate duplicates Z: 61 43.541 2.121 0.609 0.635 0.967 0.733 CA 1.502 43 residues pruned to eliminate duplicates Z: 14 21.716 2.087 0.302 0.917 1.000 1.000 CB 1.564 14 residues pruned to eliminate duplicates Z: 32 23.814 2.032 0.396 0.603 0.903 0.677 CB 1.514 32 residues pruned to eliminate duplicates Z: 55 37.892 2.075 0.637 0.583 0.889 0.593 CA 1.578 55 residues pruned to eliminate duplicates Z: 32 34.867 2.156 0.634 0.661 0.903 0.710 CB 1.695 32 residues pruned to eliminate duplicates Z: 35 27.739 2.083 0.527 0.555 0.882 0.588 CB 1.607 35 residues pruned to eliminate duplicates Z: 42 31.405 2.126 0.629 0.552 0.878 0.585 CB 1.534 42 residues pruned to eliminate duplicates Z: 39 35.446 2.136 0.855 0.604 0.895 0.632 CA 1.468 39 residues pruned to eliminate duplicates Z: 10 4.655 1.778 0.209 0.490 0.889 0.778 CB 0.821 10 residues pruned to eliminate duplicates Z: 28 15.873 2.005 0.405 0.411 0.852 0.481 CB 1.397 23 residues pruned to eliminate duplicates Z: 6 3.731 1.737 0.070 0.329 0.800 0.600 CA 1.354 6 residues pruned to eliminate duplicates Z: 12 13.892 1.975 0.360 0.551 0.909 0.636 CB 1.632 12 residues pruned to eliminate duplicates Z: 17 13.722 1.893 0.604 0.502 0.812 0.812 CB 1.387 17 residues pruned to eliminate duplicates Z: 17 10.283 1.911 0.737 0.372 0.875 0.812 CB 1.015 17 residues pruned to eliminate duplicates Z: 18 14.236 1.811 0.735 0.454 0.882 0.588 CB 1.306 18 residues pruned to eliminate duplicates Z: 16 9.739 1.928 0.515 0.406 0.933 0.600 CB 1.018 16 residues pruned to eliminate duplicates Z: 16 11.118 1.773 0.472 0.463 0.867 0.400 CB 1.318 16 residues pruned to eliminate duplicates Z: 14 13.373 1.891 0.436 0.525 0.846 0.615 CA 1.574 14 residues pruned to eliminate duplicates Z: 18 12.047 1.952 0.450 0.437 0.824 0.588 CB 1.338 18 residues pruned to eliminate duplicates Z: 17 12.180 1.919 0.440 0.453 0.875 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 13 7.602 1.862 0.443 0.417 0.833 0.417 CA 1.069 13 residues pruned to eliminate duplicates Z: 16 7.184 1.894 0.577 0.419 0.733 0.467 CB 0.922 16 residues pruned to eliminate duplicates Z: 13 8.095 1.869 0.645 0.447 0.833 0.583 CB 0.964 13 residues pruned to eliminate duplicates Z: 14 8.740 1.921 0.567 0.488 0.846 0.692 CB 0.964 14 residues pruned to eliminate duplicates Z: 13 6.520 1.894 0.478 0.383 0.750 0.583 CB 1.016 13 residues pruned to eliminate duplicates Z: 25 11.121 1.917 0.489 0.383 0.833 0.667 CB 1.080 25 residues pruned to eliminate duplicates Z: 9 4.494 1.931 0.095 0.516 0.750 0.500 CB 0.987 9 residues pruned to eliminate duplicates Z: 9 4.762 1.731 0.015 0.490 0.875 0.875 CA 1.107 9 residues pruned to eliminate duplicates Z: 30 11.855 1.919 0.215 0.363 0.862 0.552 CA 1.269 30 residues pruned to eliminate duplicates Z: 22 12.191 1.959 0.319 0.378 0.857 0.571 CA 1.368 22 residues pruned to eliminate duplicates Z: 21 12.321 1.988 0.337 0.418 0.900 0.550 CB 1.254 21 residues pruned to eliminate duplicates Z: 30 14.274 1.964 0.318 0.380 0.897 0.552 CB 1.298 30 residues pruned to eliminate duplicates Z: 24 12.308 1.885 0.332 0.406 0.783 0.478 CB 1.441 24 residues pruned to eliminate duplicates Z: 28 14.896 1.982 0.451 0.366 0.889 0.593 CB 1.296 28 residues pruned to eliminate duplicates Z: 39 14.240 1.897 0.443 0.334 0.868 0.553 CB 1.165 39 residues pruned to eliminate duplicates Z: 37 13.985 1.929 0.503 0.365 0.833 0.556 CB 1.115 37 residues pruned to eliminate duplicates Z: 25 9.985 1.895 0.309 0.326 0.792 0.458 CB 1.256 25 residues pruned to eliminate duplicates Z: 24 13.373 1.898 0.608 0.366 0.913 0.435 CB 1.155 23 residues pruned to eliminate duplicates 609 residues left after pruning, divided into chains as follows: A: 9 B: 12 C: 43 D: 7 E: 15 F: 10 G: 8 H: 58 I: 6 J: 12 K: 21 L: 11 M: 60 N: 49 O: 33 P: 46 Q: 8 R: 21 S: 62 T: 8 U: 62 V: 48 CC for partial structure against native data = 22.33 % ------------------------------------------------------------------------------ Global autotracing cycle 20 = 0.300, Contrast = 0.396, Connect. = 0.685 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.706 for dens.mod. cycle 2 = 0.300, Contrast = 0.534, Connect. = 0.741 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.745 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.561, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6704 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1272 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 31.999 2.110 0.629 0.812 0.950 0.650 CB 1.670 B: 22 35.105 2.169 0.626 0.910 1.000 0.762 CB 1.540 22 residues pruned to eliminate duplicates C: 50 28.972 2.126 0.765 0.372 0.878 0.449 CB 1.442 D: 21 37.148 2.227 0.570 0.903 1.000 0.950 CA 1.694 21 residues pruned to eliminate duplicates E: 16 16.937 2.005 0.290 0.879 1.000 0.933 CB 1.227 16 residues pruned to eliminate duplicates F: 9 18.316 2.174 0.722 0.701 1.000 0.500 CA 1.440 G: 11 8.568 1.815 0.395 0.518 0.900 0.700 CB 1.168 H: 9 8.554 1.996 0.408 0.560 0.750 0.625 CB 1.353 9 residues pruned to eliminate duplicates I: 16 18.337 2.083 0.281 0.922 1.000 0.933 CB 1.248 16 residues pruned to eliminate duplicates J: 22 38.996 2.180 0.827 0.894 0.952 0.476 CB 1.610 22 residues pruned to eliminate duplicates K: 13 12.824 1.950 0.380 0.805 0.833 0.667 CA 1.265 L: 17 14.080 1.841 0.553 0.485 0.875 0.562 CB 1.428 M: 14 25.537 2.107 0.845 0.909 0.923 0.769 CA 1.401 14 residues pruned to eliminate duplicates N: 53 27.858 2.124 0.646 0.387 0.846 0.500 CA 1.473 54 residues pruned to eliminate duplicates O: 21 22.604 2.005 0.426 0.916 0.950 0.800 CA 1.314 P: 16 17.518 2.107 0.395 0.827 0.933 0.600 CB 1.242 16 residues pruned to eliminate duplicates Q: 21 38.318 2.242 0.630 0.910 1.000 0.950 CB 1.663 21 residues pruned to eliminate duplicates R: 8 5.451 1.876 0.017 0.451 1.000 0.714 CB 1.135 S: 21 37.311 2.178 0.783 0.915 1.000 0.850 CB 1.519 21 residues pruned to eliminate duplicates T: 10 13.521 2.161 0.502 0.785 0.889 0.778 CA 1.216 10 residues pruned to eliminate duplicates U: 23 16.199 2.119 0.685 0.326 0.818 0.500 CB 1.432 V: 18 14.707 1.913 0.664 0.614 0.824 0.294 CA 1.222 W: 10 15.450 2.142 0.279 0.889 0.889 0.667 CB 1.523 X: 19 10.643 2.135 0.228 0.332 0.722 0.444 CB 1.593 Y: 56 45.304 2.158 0.928 0.595 0.891 0.436 CB 1.505 55 residues pruned to eliminate duplicates Z: 23 21.315 2.084 0.583 0.546 0.955 0.591 CB 1.379 Z: 63 45.359 2.170 0.656 0.588 0.952 0.597 CB 1.548 22 residues pruned to eliminate duplicates Z: 50 31.070 2.006 0.654 0.588 0.816 0.429 CB 1.507 33 residues pruned to eliminate duplicates Z: 12 15.675 1.946 0.524 0.878 0.818 0.727 CB 1.414 12 residues pruned to eliminate duplicates Z: 14 21.661 2.069 0.436 0.912 0.923 0.692 CA 1.552 14 residues pruned to eliminate duplicates Z: 7 12.015 2.069 0.550 0.635 0.833 0.667 CA 1.617 11 residues pruned to eliminate duplicates Z: 7 13.587 2.076 0.318 0.845 1.000 0.833 CA 1.507 6 residues pruned to eliminate duplicates Z: 32 18.294 1.997 0.818 0.396 0.806 0.387 CA 1.254 15 residues pruned to eliminate duplicates Z: 21 34.292 2.232 0.571 0.886 0.950 0.750 CA 1.660 21 residues pruned to eliminate duplicates Z: 15 19.911 2.129 0.419 0.888 1.000 0.929 CB 1.270 15 residues pruned to eliminate duplicates Z: 7 11.893 1.977 0.361 0.866 0.833 0.833 CA 1.585 Z: 22 38.941 2.197 0.672 0.907 1.000 0.476 CB 1.644 22 residues pruned to eliminate duplicates Z: 32 27.265 2.127 0.627 0.463 0.871 0.516 CA 1.688 28 residues pruned to eliminate duplicates Z: 15 9.935 1.858 0.444 0.400 0.857 0.429 CA 1.282 Z: 11 13.023 1.939 0.258 0.839 0.900 0.800 CA 1.401 Z: 14 19.842 2.004 0.618 0.590 1.000 0.769 CA 1.558 Z: 46 27.844 2.135 0.529 0.446 0.911 0.578 CB 1.474 20 residues pruned to eliminate duplicates Z: 12 15.404 2.061 0.307 0.880 0.909 0.818 CB 1.374 12 residues pruned to eliminate duplicates Z: 33 20.501 2.042 0.518 0.487 0.875 0.531 CB 1.354 15 residues pruned to eliminate duplicates Z: 22 42.241 2.194 0.758 0.876 1.000 0.905 CB 1.737 22 residues pruned to eliminate duplicates Z: 34 13.927 1.892 0.358 0.354 0.909 0.545 CB 1.215 Z: 7 2.411 1.859 0.580 0.325 0.333 0.333 CB 1.219 Z: 7 7.079 1.667 0.390 0.761 0.833 0.500 CA 1.187 5 residues pruned to eliminate duplicates Z: 7 10.646 2.027 0.046 0.831 1.000 1.000 CA 1.540 7 residues pruned to eliminate duplicates Z: 42 30.478 2.222 0.577 0.449 0.927 0.610 CA 1.544 45 residues pruned to eliminate duplicates Z: 11 10.523 1.963 -0.114 0.907 1.000 1.000 CA 1.359 11 residues pruned to eliminate duplicates Z: 49 31.229 2.085 0.534 0.521 0.896 0.604 CA 1.541 34 residues pruned to eliminate duplicates Z: 17 17.405 2.050 0.651 0.320 0.938 0.500 CA 1.672 17 residues pruned to eliminate duplicates Z: 23 15.043 2.052 0.591 0.456 0.818 0.409 CB 1.256 23 residues pruned to eliminate duplicates Z: 20 11.667 2.006 0.085 0.482 0.789 0.421 CA 1.587 16 residues pruned to eliminate duplicates Z: 31 28.198 2.143 0.403 0.651 0.933 0.800 CA 1.594 34 residues pruned to eliminate duplicates Z: 10 7.068 1.764 0.983 0.310 0.667 0.222 CB 1.247 Z: 9 17.761 2.181 0.885 0.726 1.000 0.625 CA 1.246 9 residues pruned to eliminate duplicates Z: 10 14.413 2.051 0.572 0.649 1.000 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 20 39.021 2.286 0.802 0.895 0.947 0.579 CB 1.644 20 residues pruned to eliminate duplicates Z: 37 16.402 2.083 0.633 0.278 0.750 0.333 CB 1.378 37 residues pruned to eliminate duplicates Z: 28 16.910 2.092 0.630 0.412 0.815 0.481 CB 1.285 28 residues pruned to eliminate duplicates Z: 17 21.596 2.118 0.360 0.919 1.000 0.812 CB 1.321 17 residues pruned to eliminate duplicates Z: 12 5.964 1.779 0.478 0.418 0.818 0.727 CB 0.911 Z: 16 11.104 1.992 0.976 0.313 0.667 0.467 CA 1.345 16 residues pruned to eliminate duplicates Z: 24 15.497 2.029 0.446 0.523 0.913 0.652 CB 1.179 24 residues pruned to eliminate duplicates Z: 21 40.786 2.265 0.702 0.918 0.950 0.450 CB 1.756 21 residues pruned to eliminate duplicates Z: 10 15.271 1.806 0.680 0.904 1.000 0.889 CA 1.195 10 residues pruned to eliminate duplicates Z: 32 22.040 2.038 0.495 0.474 0.935 0.548 CB 1.427 32 residues pruned to eliminate duplicates Z: 17 15.038 2.115 0.533 0.376 0.812 0.500 CB 1.629 17 residues pruned to eliminate duplicates Z: 13 19.016 1.800 0.889 0.884 0.917 0.500 CB 1.272 9 residues pruned to eliminate duplicates Z: 22 33.229 2.186 0.601 0.879 0.952 0.524 CB 1.578 22 residues pruned to eliminate duplicates Z: 8 12.617 1.925 0.307 0.852 0.857 0.857 CB 1.636 7 residues pruned to eliminate duplicates Z: 17 11.774 1.688 0.663 0.446 0.875 0.438 CB 1.268 17 residues pruned to eliminate duplicates Z: 9 11.826 1.825 0.638 0.597 0.875 0.625 CB 1.457 Z: 18 20.221 1.996 0.452 0.852 0.824 0.706 CB 1.519 18 residues pruned to eliminate duplicates Z: 11 10.991 1.599 0.563 0.732 1.000 0.700 CB 1.129 Z: 22 24.004 1.914 0.650 0.909 0.952 0.762 CB 1.236 22 residues pruned to eliminate duplicates Z: 26 14.720 1.841 0.515 0.539 0.920 0.520 CB 1.104 22 residues pruned to eliminate duplicates Z: 10 16.699 1.967 0.573 0.901 0.889 0.556 CB 1.443 10 residues pruned to eliminate duplicates Z: 19 23.387 2.086 0.219 0.932 0.944 0.833 CB 1.604 19 residues pruned to eliminate duplicates Z: 8 11.774 1.839 0.585 0.831 0.857 0.857 CA 1.338 8 residues pruned to eliminate duplicates Z: 10 8.174 1.748 0.733 0.500 0.889 0.556 CB 1.012 Z: 7 4.360 1.577 0.421 0.484 0.833 0.667 CB 0.969 7 residues pruned to eliminate duplicates Z: 19 18.772 2.001 0.584 0.668 0.944 0.444 CB 1.266 19 residues pruned to eliminate duplicates Z: 6 5.424 1.712 0.220 0.474 1.000 1.000 CB 1.192 Z: 21 15.819 1.932 0.508 0.442 0.950 0.600 CB 1.356 Z: 15 22.878 2.184 0.512 0.901 1.000 0.714 CB 1.322 13 residues pruned to eliminate duplicates Z: 10 7.095 1.577 0.579 0.452 0.889 0.556 CB 1.122 9 residues pruned to eliminate duplicates Z: 17 17.389 2.024 0.135 0.898 1.000 0.938 CB 1.353 17 residues pruned to eliminate duplicates Z: 16 20.148 2.066 0.439 0.908 1.000 0.867 CB 1.242 14 residues pruned to eliminate duplicates Z: 17 11.590 2.186 0.575 0.246 0.812 0.375 CA 1.389 17 residues pruned to eliminate duplicates Z: 18 9.104 1.874 0.242 0.354 0.941 0.412 CB 1.180 18 residues pruned to eliminate duplicates Z: 22 15.635 2.008 0.364 0.420 0.952 0.524 CB 1.423 23 residues pruned to eliminate duplicates Z: 16 9.189 1.750 0.527 0.433 0.800 0.600 CB 1.189 16 residues pruned to eliminate duplicates Z: 29 25.177 2.114 0.354 0.639 0.929 0.750 CB 1.571 29 residues pruned to eliminate duplicates Z: 32 14.381 1.877 0.340 0.366 0.806 0.516 CB 1.470 21 residues pruned to eliminate duplicates Z: 8 12.475 1.966 0.481 0.775 0.857 0.286 CA 1.481 8 residues pruned to eliminate duplicates Z: 40 17.366 1.916 0.440 0.328 0.846 0.513 CA 1.439 31 residues pruned to eliminate duplicates Z: 24 14.950 1.975 0.443 0.389 0.870 0.739 CA 1.414 Z: 11 12.250 1.852 0.450 0.803 0.900 0.500 CA 1.230 11 residues pruned to eliminate duplicates Z: 17 10.031 2.084 0.073 0.334 0.812 0.500 CB 1.655 19 residues pruned to eliminate duplicates Z: 11 12.467 1.772 0.365 0.811 0.900 0.400 CA 1.381 11 residues pruned to eliminate duplicates Z: 8 7.861 1.670 0.353 0.708 0.857 0.857 CA 1.270 9 residues pruned to eliminate duplicates Z: 6 5.590 1.533 0.334 0.791 1.000 0.800 CA 0.947 6 residues pruned to eliminate duplicates Z: 7 8.797 2.042 0.529 0.739 1.000 1.000 CB 0.929 14 residues pruned to eliminate duplicates Z: 23 18.926 2.023 0.455 0.495 0.909 0.636 CB 1.516 26 residues pruned to eliminate duplicates Z: 16 15.901 1.919 0.726 0.656 0.800 0.467 CA 1.340 16 residues pruned to eliminate duplicates Z: 10 11.415 1.766 0.167 0.879 1.000 1.000 CA 1.338 10 residues pruned to eliminate duplicates Z: 16 21.723 2.097 0.578 0.904 0.800 0.600 CB 1.508 16 residues pruned to eliminate duplicates Z: 9 9.320 1.903 0.696 0.532 0.750 0.750 CA 1.319 8 residues pruned to eliminate duplicates Z: 22 14.205 1.859 0.704 0.344 0.762 0.571 CA 1.523 22 residues pruned to eliminate duplicates Z: 13 4.446 1.655 0.323 0.293 0.667 0.583 CB 1.109 13 residues pruned to eliminate duplicates Z: 30 14.227 1.898 0.288 0.392 0.862 0.448 CB 1.405 29 residues pruned to eliminate duplicates Z: 24 22.775 1.850 0.765 0.736 0.826 0.304 CB 1.424 23 residues pruned to eliminate duplicates Z: 10 8.841 1.795 0.170 0.571 1.000 0.889 CA 1.310 10 residues pruned to eliminate duplicates Z: 7 5.776 1.510 0.270 0.854 0.833 0.667 N 1.090 Z: 33 29.639 2.162 0.713 0.512 0.938 0.531 CB 1.491 31 residues pruned to eliminate duplicates Z: 22 20.959 1.937 0.338 0.923 1.000 0.762 CA 1.240 22 residues pruned to eliminate duplicates Z: 11 10.173 1.798 0.242 0.649 0.900 0.800 CA 1.394 11 residues pruned to eliminate duplicates Z: 50 29.857 2.047 0.543 0.548 0.837 0.612 CA 1.539 50 residues pruned to eliminate duplicates Z: 33 16.057 1.950 0.329 0.397 0.875 0.594 CA 1.396 34 residues pruned to eliminate duplicates Z: 18 9.160 1.809 0.323 0.354 0.824 0.471 CB 1.320 4 residues pruned to eliminate duplicates Z: 19 20.221 2.030 0.313 0.879 0.944 0.722 CA 1.373 20 residues pruned to eliminate duplicates Z: 15 7.222 1.774 0.347 0.389 0.857 0.429 CB 1.060 17 residues pruned to eliminate duplicates Z: 11 6.225 1.809 0.179 0.391 0.700 0.500 CB 1.480 11 residues pruned to eliminate duplicates Z: 23 17.084 2.227 0.821 0.273 0.818 0.545 CA 1.419 23 residues pruned to eliminate duplicates Z: 14 11.025 1.933 0.344 0.408 0.846 0.538 CB 1.531 12 residues pruned to eliminate duplicates Z: 14 21.481 2.142 0.380 0.904 0.923 0.769 CB 1.555 14 residues pruned to eliminate duplicates Z: 61 41.934 2.125 0.765 0.554 0.883 0.500 CB 1.551 61 residues pruned to eliminate duplicates Z: 36 19.173 2.131 0.548 0.305 0.857 0.514 CA 1.424 36 residues pruned to eliminate duplicates Z: 14 11.234 2.027 0.502 0.431 0.846 0.692 CB 1.299 14 residues pruned to eliminate duplicates Z: 10 13.953 2.020 0.575 0.841 0.889 0.556 CB 1.227 10 residues pruned to eliminate duplicates Z: 19 12.969 1.892 0.268 0.507 0.833 0.556 CB 1.519 10 residues pruned to eliminate duplicates Z: 6 2.994 1.712 0.002 0.355 0.800 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 8 5.270 1.423 0.476 0.716 1.000 0.571 O 0.780 5 residues pruned to eliminate duplicates Z: 13 5.780 1.591 0.359 0.475 0.750 0.250 CB 1.056 Z: 55 34.560 2.175 0.633 0.494 0.889 0.556 CB 1.499 55 residues pruned to eliminate duplicates Z: 7 8.186 1.533 0.505 0.884 1.000 1.000 CB 1.046 7 residues pruned to eliminate duplicates Z: 16 8.229 1.910 0.168 0.366 0.867 0.600 CB 1.268 16 residues pruned to eliminate duplicates Z: 22 33.787 2.131 0.707 0.886 0.905 0.476 CB 1.616 22 residues pruned to eliminate duplicates Z: 22 42.082 2.146 1.139 0.924 0.857 0.476 CB 1.639 22 residues pruned to eliminate duplicates Z: 36 20.910 2.068 0.622 0.421 0.829 0.514 CB 1.380 36 residues pruned to eliminate duplicates Z: 11 16.352 2.025 0.341 0.910 1.000 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 28 13.704 1.831 0.530 0.398 0.889 0.444 CA 1.178 34 residues pruned to eliminate duplicates Z: 14 10.046 2.071 0.802 0.318 0.692 0.385 CA 1.318 14 residues pruned to eliminate duplicates Z: 9 13.278 1.858 0.312 0.823 1.000 0.500 CB 1.455 Z: 12 14.096 2.103 0.588 0.489 0.909 0.636 CA 1.416 12 residues pruned to eliminate duplicates Z: 9 9.762 1.758 0.642 0.820 0.875 0.500 CA 1.035 7 residues pruned to eliminate duplicates Z: 16 27.333 2.049 0.856 0.926 0.933 0.800 CB 1.394 16 residues pruned to eliminate duplicates Z: 14 8.502 1.786 0.379 0.413 0.923 0.615 CB 1.136 Z: 26 14.861 1.922 0.439 0.506 0.880 0.480 CA 1.214 26 residues pruned to eliminate duplicates Z: 10 11.538 1.632 0.872 0.512 0.889 0.333 CB 1.400 10 residues pruned to eliminate duplicates Z: 7 9.081 2.005 0.267 0.660 0.833 0.833 CB 1.510 7 residues pruned to eliminate duplicates Z: 22 37.515 2.171 0.787 0.879 0.952 0.476 CB 1.608 22 residues pruned to eliminate duplicates Z: 10 5.956 1.809 -0.054 0.398 0.889 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 12 8.201 1.850 0.149 0.465 1.000 0.818 CB 1.205 12 residues pruned to eliminate duplicates Z: 7 13.870 2.101 0.445 0.801 1.000 0.833 CA 1.434 7 residues pruned to eliminate duplicates Z: 6 5.524 1.790 -0.027 0.660 1.000 1.000 CB 1.223 Z: 8 9.163 1.972 0.459 0.610 1.000 0.857 CB 1.084 8 residues pruned to eliminate duplicates Z: 20 13.199 1.937 0.287 0.470 0.842 0.421 CB 1.487 23 residues pruned to eliminate duplicates Z: 11 17.569 2.052 0.391 0.877 1.000 1.000 CB 1.413 11 residues pruned to eliminate duplicates Z: 58 20.917 1.908 0.568 0.388 0.842 0.456 CA 1.239 58 residues pruned to eliminate duplicates Z: 7 17.632 2.172 0.526 0.757 1.000 0.667 CA 1.728 7 residues pruned to eliminate duplicates Z: 7 9.986 1.896 0.307 0.607 1.000 0.500 CA 1.487 7 residues pruned to eliminate duplicates Z: 19 25.209 2.019 0.698 0.875 0.833 0.556 CB 1.512 19 residues pruned to eliminate duplicates Z: 21 12.586 1.992 0.557 0.386 0.850 0.650 CB 1.205 21 residues pruned to eliminate duplicates Z: 13 9.748 2.018 0.316 0.445 0.833 0.667 CB 1.345 13 residues pruned to eliminate duplicates Z: 23 15.562 1.993 0.386 0.446 0.909 0.591 CA 1.396 23 residues pruned to eliminate duplicates Z: 10 12.284 1.895 0.628 0.746 0.889 0.667 CA 1.199 10 residues pruned to eliminate duplicates Z: 6 5.590 1.972 0.218 0.627 0.600 0.400 CA 1.539 6 residues pruned to eliminate duplicates Z: 17 35.045 2.206 1.052 0.889 0.875 0.375 CB 1.592 17 residues pruned to eliminate duplicates Z: 11 8.138 2.013 0.069 0.459 0.900 0.700 CA 1.386 11 residues pruned to eliminate duplicates Z: 9 3.256 1.630 0.316 0.234 0.750 0.250 C 0.974 9 residues pruned to eliminate duplicates Z: 20 11.094 1.985 0.746 0.243 0.737 0.474 CB 1.341 20 residues pruned to eliminate duplicates Z: 6 9.452 1.537 0.759 0.824 1.000 0.600 N 1.181 6 residues pruned to eliminate duplicates Z: 18 23.918 2.043 0.544 0.847 0.941 0.647 CA 1.451 18 residues pruned to eliminate duplicates Z: 9 11.175 1.822 0.310 0.820 0.875 0.875 CA 1.434 9 residues pruned to eliminate duplicates Z: 10 7.118 1.906 0.220 0.420 0.778 0.556 CA 1.426 10 residues pruned to eliminate duplicates Z: 20 18.638 1.892 0.522 0.897 1.000 0.737 CA 1.063 20 residues pruned to eliminate duplicates Z: 12 11.915 2.101 0.603 0.473 0.909 0.545 CB 1.206 12 residues pruned to eliminate duplicates Z: 14 8.515 1.877 0.374 0.309 0.769 0.308 CB 1.472 Z: 18 17.425 2.004 0.224 0.882 1.000 0.882 CB 1.247 18 residues pruned to eliminate duplicates Z: 11 12.896 1.862 0.752 0.548 0.900 0.700 CB 1.325 11 residues pruned to eliminate duplicates Z: 31 32.345 2.067 0.752 0.623 0.967 0.700 CA 1.502 34 residues pruned to eliminate duplicates Z: 17 11.484 2.038 0.307 0.331 0.875 0.625 CA 1.482 21 residues pruned to eliminate duplicates Z: 38 24.900 2.065 0.512 0.497 0.892 0.568 CA 1.475 38 residues pruned to eliminate duplicates Z: 15 10.020 2.092 0.033 0.434 0.857 0.571 CB 1.547 15 residues pruned to eliminate duplicates Z: 16 19.759 2.123 0.465 0.869 0.867 0.533 CB 1.383 16 residues pruned to eliminate duplicates Z: 44 34.938 2.135 0.518 0.646 0.907 0.674 CA 1.582 44 residues pruned to eliminate duplicates Z: 6 4.497 1.602 0.369 0.749 0.600 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 8 7.660 1.782 0.196 0.495 1.000 0.714 CA 1.365 8 residues pruned to eliminate duplicates Z: 45 18.131 1.896 0.305 0.365 0.909 0.568 CB 1.405 46 residues pruned to eliminate duplicates Z: 34 31.312 2.107 0.488 0.639 1.000 0.667 CA 1.526 34 residues pruned to eliminate duplicates Z: 7 4.713 1.878 0.210 0.247 1.000 0.500 CB 1.134 Z: 16 11.221 1.833 0.418 0.481 0.933 0.533 CA 1.217 13 residues pruned to eliminate duplicates Z: 12 8.281 1.804 0.211 0.453 0.818 0.455 N 1.465 10 residues pruned to eliminate duplicates Z: 14 13.958 1.840 0.676 0.879 0.692 0.385 CB 1.315 14 residues pruned to eliminate duplicates Z: 9 7.958 2.004 0.093 0.698 0.875 0.750 CB 1.225 9 residues pruned to eliminate duplicates Z: 10 7.544 1.606 0.828 0.416 0.889 0.556 CB 1.052 10 residues pruned to eliminate duplicates Z: 6 5.677 1.934 0.529 0.328 0.800 0.600 CB 1.296 6 residues pruned to eliminate duplicates Z: 16 7.550 1.940 0.455 0.246 0.800 0.467 CB 1.156 7 residues pruned to eliminate duplicates Z: 9 9.480 1.652 0.685 0.801 0.875 0.375 CA 1.057 9 residues pruned to eliminate duplicates Z: 7 5.123 1.731 0.320 0.401 0.833 0.333 N 1.219 7 residues pruned to eliminate duplicates Z: 39 18.606 2.068 0.376 0.474 0.868 0.684 CB 1.254 39 residues pruned to eliminate duplicates Z: 17 18.082 2.017 0.509 0.884 0.812 0.438 CA 1.321 17 residues pruned to eliminate duplicates Z: 11 11.465 1.842 0.151 0.632 1.000 0.600 N 1.510 11 residues pruned to eliminate duplicates Z: 13 11.819 1.998 0.649 0.481 0.917 0.583 CA 1.151 Z: 24 32.087 2.093 0.818 0.846 0.913 0.435 CB 1.430 24 residues pruned to eliminate duplicates Z: 22 17.625 2.021 0.562 0.368 0.952 0.381 CA 1.475 23 residues pruned to eliminate duplicates Z: 6 3.875 1.504 0.158 0.380 1.000 0.800 CB 1.130 Z: 18 20.579 1.831 0.369 0.875 0.941 0.647 CA 1.539 18 residues pruned to eliminate duplicates Z: 18 14.788 2.076 0.436 0.658 0.882 0.412 CB 1.178 18 residues pruned to eliminate duplicates Z: 13 7.389 1.772 0.699 0.480 0.833 0.667 CB 0.868 Z: 25 14.606 1.917 0.348 0.507 0.833 0.625 CB 1.376 15 residues pruned to eliminate duplicates Z: 27 13.862 1.847 0.786 0.349 0.846 0.577 CB 1.148 13 residues pruned to eliminate duplicates Z: 7 10.891 2.020 0.243 0.743 1.000 0.833 CB 1.424 7 residues pruned to eliminate duplicates Z: 6 13.228 1.904 0.879 0.862 1.000 0.800 CA 1.214 6 residues pruned to eliminate duplicates Z: 22 43.924 2.193 0.833 0.909 1.000 0.476 CB 1.693 22 residues pruned to eliminate duplicates Z: 22 17.245 2.010 0.490 0.376 0.952 0.714 CA 1.506 23 residues pruned to eliminate duplicates Z: 37 13.281 1.926 0.359 0.356 0.806 0.472 CB 1.226 37 residues pruned to eliminate duplicates Z: 33 13.688 1.831 0.297 0.468 0.875 0.562 CB 1.203 33 residues pruned to eliminate duplicates Z: 10 5.685 1.640 0.114 0.485 0.889 0.333 C 1.186 Z: 15 20.860 1.988 0.581 0.853 1.000 0.643 CA 1.311 15 residues pruned to eliminate duplicates Z: 23 20.879 2.184 0.253 0.610 0.909 0.682 CA 1.612 23 residues pruned to eliminate duplicates Z: 7 7.380 1.953 0.057 0.543 0.833 0.667 CB 1.679 Z: 14 7.157 1.971 0.252 0.406 0.846 0.615 CB 1.049 14 residues pruned to eliminate duplicates Z: 45 35.135 2.158 0.704 0.646 0.886 0.523 CB 1.418 45 residues pruned to eliminate duplicates Z: 8 9.961 1.896 0.559 0.914 1.000 1.000 CB 0.901 8 residues pruned to eliminate duplicates Z: 9 12.066 1.899 0.577 0.643 1.000 0.375 CB 1.246 10 residues pruned to eliminate duplicates Z: 19 25.561 2.044 0.580 0.867 0.944 0.667 CA 1.445 19 residues pruned to eliminate duplicates Z: 32 36.329 2.217 0.584 0.715 0.968 0.677 CA 1.580 32 residues pruned to eliminate duplicates Z: 7 11.228 1.856 0.542 0.800 0.833 0.333 CB 1.479 7 residues pruned to eliminate duplicates Z: 8 6.708 1.791 -0.011 0.700 0.857 0.571 N 1.391 8 residues pruned to eliminate duplicates Z: 26 11.483 1.890 0.297 0.381 0.800 0.560 CB 1.330 26 residues pruned to eliminate duplicates Z: 32 23.467 2.080 0.498 0.466 0.839 0.548 CB 1.669 32 residues pruned to eliminate duplicates Z: 10 15.213 1.892 0.631 0.892 1.000 0.667 CA 1.180 16 residues pruned to eliminate duplicates Z: 10 7.438 1.727 0.117 0.617 0.889 0.556 CB 1.293 Z: 13 16.972 1.750 0.710 0.893 1.000 0.750 CB 1.176 13 residues pruned to eliminate duplicates 6 1.466 1.408 0.450 0.100 0.600 0.400 N 0.892 ? Z: 6 5.781 1.528 0.547 0.529 1.000 0.400 CB 1.063 Z: 22 38.765 2.181 0.707 0.875 1.000 0.667 CB 1.652 22 residues pruned to eliminate duplicates Z: 12 14.912 1.971 0.478 0.531 1.000 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 16 11.380 1.983 0.226 0.395 0.867 0.467 CA 1.558 15 residues pruned to eliminate duplicates Z: 7 6.163 1.863 0.438 0.406 0.833 0.667 CA 1.244 7 residues pruned to eliminate duplicates Z: 11 10.494 1.691 0.428 0.753 0.800 0.300 CB 1.372 11 residues pruned to eliminate duplicates Z: 12 18.018 1.969 0.613 0.879 1.000 0.818 CB 1.241 12 residues pruned to eliminate duplicates Z: 11 10.275 1.853 0.185 0.622 1.000 0.800 CB 1.319 13 residues pruned to eliminate duplicates Z: 21 41.042 2.291 0.639 0.894 1.000 0.600 CB 1.754 21 residues pruned to eliminate duplicates Z: 23 17.581 2.064 0.549 0.505 0.955 0.500 CB 1.222 23 residues pruned to eliminate duplicates Z: 21 41.095 2.226 0.773 0.888 1.000 0.700 CB 1.677 21 residues pruned to eliminate duplicates Z: 6 5.532 1.562 0.318 0.558 1.000 0.800 CA 1.136 Z: 9 12.786 1.887 0.517 0.866 1.000 0.750 CA 1.157 9 residues pruned to eliminate duplicates Z: 17 12.384 1.924 0.436 0.575 0.875 0.688 CB 1.192 26 residues pruned to eliminate duplicates Z: 10 7.076 1.745 0.349 0.467 0.889 0.667 CA 1.166 10 residues pruned to eliminate duplicates Z: 10 13.962 2.202 0.522 0.525 0.889 0.556 CA 1.524 10 residues pruned to eliminate duplicates Z: 8 2.442 1.539 0.212 0.282 0.714 0.429 CB 0.886 Z: 13 11.072 1.814 0.500 0.786 0.750 0.333 CA 1.218 13 residues pruned to eliminate duplicates Z: 22 10.815 1.990 0.754 0.353 0.714 0.476 CB 1.109 22 residues pruned to eliminate duplicates Z: 32 10.179 1.829 0.478 0.284 0.774 0.419 CB 1.114 27 residues pruned to eliminate duplicates Z: 37 10.870 1.798 0.363 0.334 0.750 0.417 CA 1.181 37 residues pruned to eliminate duplicates Z: 6 6.668 1.617 0.247 0.573 1.000 0.800 CA 1.377 Z: 8 8.061 1.668 0.503 0.802 0.857 0.714 CA 1.088 Z: 33 13.642 1.968 0.282 0.369 0.844 0.406 CB 1.304 33 residues pruned to eliminate duplicates Z: 7 7.700 1.791 0.527 0.610 0.833 0.667 CB 1.242 6 residues pruned to eliminate duplicates Z: 7 4.736 1.633 0.366 0.567 0.833 0.667 CB 0.975 Z: 9 8.846 1.726 0.510 0.615 1.000 0.625 CB 1.076 6 residues pruned to eliminate duplicates Z: 12 8.280 1.626 0.788 0.528 0.818 0.636 CA 1.021 12 residues pruned to eliminate duplicates Z: 20 21.617 2.051 0.743 0.898 0.737 0.263 CB 1.346 20 residues pruned to eliminate duplicates Z: 20 20.239 2.023 0.563 0.519 0.947 0.526 CA 1.521 20 residues pruned to eliminate duplicates Z: 9 8.509 1.834 0.486 0.472 0.875 0.875 CB 1.297 Z: 7 17.118 2.103 0.641 0.821 1.000 1.000 CA 1.533 7 residues pruned to eliminate duplicates Z: 7 3.992 1.702 0.661 0.112 0.833 0.500 CB 1.131 Z: 15 8.996 2.040 0.298 0.220 0.929 0.286 CB 1.358 11 residues pruned to eliminate duplicates Z: 14 8.962 1.838 0.191 0.387 0.923 0.615 CA 1.387 14 residues pruned to eliminate duplicates Z: 6 2.058 1.522 0.637 0.322 0.600 0.400 CB 0.749 6 residues pruned to eliminate duplicates Z: 6 2.858 1.726 -0.293 0.659 1.000 0.400 C 0.905 Z: 21 29.087 1.975 0.782 0.918 0.950 0.500 CA 1.371 21 residues pruned to eliminate duplicates Z: 12 17.205 2.076 0.389 0.800 0.909 0.636 CB 1.522 12 residues pruned to eliminate duplicates Z: 9 8.062 1.721 0.357 0.478 0.875 0.375 CB 1.427 9 residues pruned to eliminate duplicates Z: 20 13.487 2.007 0.356 0.312 0.947 0.474 CA 1.478 20 residues pruned to eliminate duplicates Z: 16 18.998 2.078 0.454 0.897 0.933 0.800 CB 1.244 16 residues pruned to eliminate duplicates Z: 20 10.881 1.746 0.354 0.594 0.947 0.632 CA 1.019 20 residues pruned to eliminate duplicates Z: 8 5.622 1.734 0.276 0.520 0.857 0.714 CB 1.099 8 residues pruned to eliminate duplicates Z: 10 3.892 1.469 0.189 0.423 0.889 0.556 CB 0.906 Z: 23 11.976 1.897 0.355 0.352 0.818 0.273 CA 1.425 22 residues pruned to eliminate duplicates Z: 11 3.518 1.369 0.364 0.314 0.800 0.500 N 0.914 Z: 26 29.093 2.100 0.453 0.733 1.000 0.720 CA 1.547 26 residues pruned to eliminate duplicates Z: 25 11.665 1.956 0.272 0.448 0.875 0.542 CB 1.153 25 residues pruned to eliminate duplicates Z: 32 22.414 2.104 0.623 0.460 0.839 0.581 CB 1.464 32 residues pruned to eliminate duplicates Z: 24 14.771 2.038 0.415 0.489 0.870 0.652 CB 1.242 24 residues pruned to eliminate duplicates Z: 10 9.393 1.838 0.225 0.672 1.000 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 6 3.026 1.414 0.078 0.720 0.800 0.600 CA 0.909 6 residues pruned to eliminate duplicates Z: 7 5.264 1.961 0.237 0.454 0.833 0.833 CB 1.114 7 residues pruned to eliminate duplicates Z: 18 20.367 1.946 0.383 0.909 0.941 0.706 CB 1.384 18 residues pruned to eliminate duplicates Z: 21 23.557 1.910 0.626 0.859 0.900 0.600 CA 1.386 21 residues pruned to eliminate duplicates Z: 24 21.046 2.096 0.522 0.535 0.957 0.609 CB 1.390 24 residues pruned to eliminate duplicates Z: 6 4.756 1.392 0.375 0.627 1.000 1.000 CB 0.986 Z: 8 11.236 1.920 0.628 0.529 1.000 0.571 CB 1.321 8 residues pruned to eliminate duplicates Z: 6 3.179 1.717 0.152 0.227 0.800 0.400 CB 1.236 6 residues pruned to eliminate duplicates Z: 15 16.241 2.089 0.334 0.546 0.929 0.714 CA 1.603 15 residues pruned to eliminate duplicates Z: 10 6.014 1.890 0.130 0.285 0.889 0.556 N 1.345 10 residues pruned to eliminate duplicates Z: 19 23.354 2.032 0.489 0.922 1.000 0.611 CA 1.279 19 residues pruned to eliminate duplicates Z: 6 5.595 1.835 0.131 0.694 1.000 0.600 CA 1.009 6 residues pruned to eliminate duplicates Z: 22 16.797 1.992 0.714 0.408 0.857 0.619 CB 1.379 22 residues pruned to eliminate duplicates Z: 7 8.568 1.829 0.833 0.609 0.833 0.833 CB 1.129 Z: 28 15.667 2.147 0.721 0.277 0.815 0.630 CB 1.289 28 residues pruned to eliminate duplicates Z: 6 7.226 1.842 0.522 0.693 1.000 0.800 CA 0.966 6 residues pruned to eliminate duplicates Z: 7 10.574 1.993 0.556 0.545 1.000 0.833 CB 1.332 7 residues pruned to eliminate duplicates Z: 19 24.964 2.010 0.463 0.893 0.944 0.667 CB 1.521 19 residues pruned to eliminate duplicates Z: 7 3.606 1.763 -0.057 0.624 0.833 0.833 CB 0.945 7 residues pruned to eliminate duplicates Z: 9 3.700 1.628 -0.018 0.369 0.750 0.250 C 1.255 9 residues pruned to eliminate duplicates Z: 9 12.689 1.919 0.237 0.883 1.000 0.750 CB 1.368 9 residues pruned to eliminate duplicates Z: 16 8.566 1.698 0.338 0.404 1.000 0.533 CB 1.077 16 residues pruned to eliminate duplicates Z: 16 19.352 2.033 0.784 0.601 0.800 0.600 CA 1.564 24 residues pruned to eliminate duplicates Z: 18 10.162 1.905 0.494 0.401 0.882 0.471 CB 1.088 18 residues pruned to eliminate duplicates Z: 10 10.065 1.831 0.536 0.676 1.000 0.778 CB 1.014 9 residues pruned to eliminate duplicates Z: 11 6.178 1.827 0.145 0.506 0.800 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 18 10.790 1.735 0.537 0.398 0.882 0.412 CA 1.238 18 residues pruned to eliminate duplicates Z: 14 18.260 1.995 0.713 0.554 0.923 0.692 CB 1.523 14 residues pruned to eliminate duplicates Z: 6 3.870 1.827 0.147 0.443 0.800 0.600 CA 1.095 6 residues pruned to eliminate duplicates Z: 19 18.037 2.009 0.700 0.563 0.889 0.389 CB 1.317 19 residues pruned to eliminate duplicates Z: 6 9.628 1.939 0.382 0.744 1.000 1.000 CB 1.292 6 residues pruned to eliminate duplicates Z: 39 31.475 2.040 0.575 0.647 0.947 0.632 CA 1.462 39 residues pruned to eliminate duplicates Z: 7 5.845 1.632 0.011 0.671 1.000 0.667 CB 1.236 Z: 23 15.674 1.890 0.399 0.479 0.864 0.455 CB 1.495 23 residues pruned to eliminate duplicates Z: 17 12.208 1.926 0.411 0.503 0.875 0.500 CB 1.280 11 residues pruned to eliminate duplicates Z: 8 2.789 1.373 0.245 0.213 0.714 0.429 CA 1.211 Z: 9 2.619 1.272 0.499 0.293 0.750 0.375 CB 0.816 Z: 11 11.145 1.859 0.386 0.554 0.900 0.500 CA 1.441 11 residues pruned to eliminate duplicates Z: 8 5.179 1.797 0.383 0.552 0.857 0.714 CB 0.874 8 residues pruned to eliminate duplicates Z: 15 14.940 2.046 0.519 0.356 1.000 0.500 CA 1.501 15 residues pruned to eliminate duplicates Z: 9 5.071 1.653 -0.054 0.697 1.000 0.750 CB 0.958 Z: 6 4.110 1.635 0.355 0.340 0.800 0.600 N 1.235 Z: 12 12.907 1.882 0.359 0.894 1.000 0.727 CA 1.092 12 residues pruned to eliminate duplicates Z: 25 26.486 2.139 0.479 0.638 0.917 0.833 CB 1.638 25 residues pruned to eliminate duplicates Z: 6 5.186 1.621 0.073 0.657 1.000 0.400 CB 1.152 Z: 8 10.964 2.022 0.208 0.847 1.000 0.857 CB 1.259 7 residues pruned to eliminate duplicates Z: 7 4.365 1.532 1.090 0.248 0.667 0.500 CB 1.117 7 residues pruned to eliminate duplicates Z: 7 5.913 1.935 0.102 0.790 0.667 0.333 CB 1.317 7 residues pruned to eliminate duplicates Z: 14 10.444 2.033 0.313 0.315 0.923 0.538 CA 1.441 14 residues pruned to eliminate duplicates Z: 31 21.455 2.137 0.718 0.509 0.767 0.400 CB 1.379 31 residues pruned to eliminate duplicates Z: 22 12.811 1.988 0.226 0.475 0.857 0.714 CA 1.372 22 residues pruned to eliminate duplicates Z: 11 7.162 2.194 0.199 0.420 0.700 0.500 CB 1.337 11 residues pruned to eliminate duplicates Z: 26 17.071 1.983 0.502 0.542 0.920 0.600 CB 1.196 26 residues pruned to eliminate duplicates Z: 7 8.427 1.727 0.088 0.808 1.000 0.500 C 1.400 7 residues pruned to eliminate duplicates Z: 32 16.377 1.853 0.494 0.471 0.903 0.548 CA 1.211 30 residues pruned to eliminate duplicates Z: 15 8.911 1.914 0.269 0.316 0.786 0.500 CB 1.530 14 residues pruned to eliminate duplicates Z: 34 21.765 2.110 0.446 0.490 0.848 0.515 CA 1.478 34 residues pruned to eliminate duplicates Z: 19 20.454 2.030 0.545 0.882 1.000 0.778 CB 1.113 19 residues pruned to eliminate duplicates Z: 10 6.998 1.600 0.365 0.635 0.889 0.556 CB 1.058 10 residues pruned to eliminate duplicates Z: 15 9.391 2.106 0.163 0.416 0.714 0.643 CB 1.567 15 residues pruned to eliminate duplicates Z: 12 8.115 1.754 0.401 0.540 0.909 0.636 CB 1.054 12 residues pruned to eliminate duplicates Z: 8 4.617 1.753 0.052 0.622 0.714 0.571 CB 1.180 Z: 6 5.690 1.811 0.345 0.437 0.800 0.400 N 1.394 6 residues pruned to eliminate duplicates Z: 51 27.137 2.133 0.575 0.365 0.880 0.480 CA 1.502 51 residues pruned to eliminate duplicates Z: 6 4.398 1.604 0.398 0.440 0.800 0.600 N 1.167 Z: 21 17.407 1.972 0.427 0.472 0.900 0.600 CA 1.580 21 residues pruned to eliminate duplicates Z: 30 9.316 2.090 0.110 0.334 0.690 0.345 CB 1.295 37 residues pruned to eliminate duplicates Z: 7 4.870 1.747 0.411 0.429 1.000 0.667 CB 0.869 7 residues pruned to eliminate duplicates Z: 12 5.007 1.457 0.299 0.389 0.909 0.273 CB 0.987 8 1.279 1.372 -0.345 0.232 0.857 0.429 CB 0.857 ? Z: 9 4.514 1.769 0.006 0.407 0.875 0.375 CB 1.131 9 residues pruned to eliminate duplicates Z: 6 4.415 1.522 0.314 0.483 1.000 1.000 CB 1.004 Z: 9 6.947 1.559 0.488 0.624 0.875 0.500 CA 1.077 9 residues pruned to eliminate duplicates Z: 17 15.167 1.912 0.589 0.459 0.875 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 16 21.032 2.102 0.553 0.890 1.000 0.533 CB 1.197 16 residues pruned to eliminate duplicates Z: 22 14.768 2.099 0.438 0.363 0.857 0.524 CB 1.444 22 residues pruned to eliminate duplicates Z: 22 34.900 2.165 0.839 0.887 0.905 0.429 CB 1.524 22 residues pruned to eliminate duplicates Z: 14 12.494 1.690 0.621 0.782 0.769 0.462 CB 1.283 14 residues pruned to eliminate duplicates 6 1.888 1.400 0.345 0.294 0.800 0.600 CB 0.706 ? 6 1.423 1.114 -0.051 0.298 0.800 0.400 C 0.943 ? Z: 12 7.068 1.760 0.121 0.572 1.000 0.455 CB 1.008 12 residues pruned to eliminate duplicates Z: 6 2.843 1.595 0.202 0.417 0.800 0.600 CB 0.904 Z: 10 3.934 1.749 0.175 0.395 0.667 0.444 N 1.070 10 residues pruned to eliminate duplicates 6 1.721 1.210 0.395 0.299 0.800 0.800 C 0.714 ? Z: 6 2.130 1.270 0.719 0.300 0.800 0.400 CB 0.682 Z: 12 13.340 1.857 0.613 0.643 0.909 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 6 3.291 1.585 0.480 0.348 0.800 0.400 CB 0.925 6 residues pruned to eliminate duplicates Z: 6 3.753 1.422 0.791 0.302 0.800 0.400 CA 1.028 Z: 14 14.638 1.938 0.634 0.658 0.923 0.769 CA 1.200 14 residues pruned to eliminate duplicates Z: 11 15.527 1.942 0.508 0.727 1.000 0.700 CA 1.367 15 residues pruned to eliminate duplicates Z: 9 3.615 1.540 0.630 0.226 0.875 0.500 CA 0.801 9 residues pruned to eliminate duplicates Z: 15 8.830 1.697 0.388 0.464 0.929 0.714 CB 1.119 15 residues pruned to eliminate duplicates Z: 11 11.256 2.184 0.127 0.465 0.900 0.600 CB 1.665 11 residues pruned to eliminate duplicates Z: 20 12.173 1.861 0.423 0.494 0.895 0.368 CA 1.185 7 residues pruned to eliminate duplicates Z: 7 3.471 1.490 0.630 0.492 0.833 0.500 CB 0.706 6 1.534 1.293 0.183 0.282 0.800 0.800 C 0.717 ? Z: 21 42.060 2.106 1.025 0.933 0.950 0.650 CB 1.620 21 residues pruned to eliminate duplicates Z: 13 9.378 1.615 0.436 0.472 1.000 0.583 CB 1.202 13 residues pruned to eliminate duplicates Z: 10 7.433 1.825 0.294 0.524 0.889 0.667 CB 1.152 9 residues pruned to eliminate duplicates Z: 8 3.539 1.374 0.445 0.344 0.857 0.286 N 0.931 Z: 31 17.486 1.927 0.376 0.423 0.933 0.600 CA 1.397 32 residues pruned to eliminate duplicates Z: 18 32.002 2.153 0.734 0.859 0.941 0.706 CA 1.626 18 residues pruned to eliminate duplicates Z: 7 3.051 1.677 0.466 0.289 0.667 0.167 CB 0.963 Z: 7 4.747 1.591 0.722 0.247 0.833 0.500 CA 1.137 Z: 8 4.700 1.737 0.591 0.455 0.714 0.714 CB 0.942 Z: 23 14.943 1.982 0.682 0.302 0.818 0.455 CA 1.456 23 residues pruned to eliminate duplicates Z: 6 4.319 1.474 0.887 0.424 1.000 0.600 CB 0.751 6 residues pruned to eliminate duplicates Z: 23 14.137 1.864 0.266 0.535 0.909 0.591 CB 1.357 23 residues pruned to eliminate duplicates Z: 20 15.511 1.893 0.475 0.754 0.947 0.526 CA 1.072 17 residues pruned to eliminate duplicates Z: 8 7.063 1.571 0.329 0.814 0.857 0.857 N 1.135 7 residues pruned to eliminate duplicates Z: 55 31.482 2.039 0.659 0.582 0.796 0.426 CA 1.470 76 residues pruned to eliminate duplicates Z: 14 15.458 1.952 0.581 0.516 0.923 0.692 CB 1.482 14 residues pruned to eliminate duplicates Z: 27 32.628 2.072 0.501 0.747 0.962 0.808 CA 1.717 27 residues pruned to eliminate duplicates Z: 6 3.427 1.487 0.967 0.378 0.600 0.600 CA 0.995 Z: 12 4.381 1.675 0.121 0.442 0.909 0.636 CB 0.822 Z: 27 13.127 2.147 0.394 0.361 0.731 0.346 CB 1.368 27 residues pruned to eliminate duplicates Z: 29 27.228 1.974 0.651 0.641 0.929 0.714 CB 1.491 29 residues pruned to eliminate duplicates Z: 25 14.682 1.966 0.492 0.514 0.917 0.708 CB 1.099 25 residues pruned to eliminate duplicates Z: 13 7.763 1.858 0.670 0.369 0.833 0.500 CA 0.997 13 residues pruned to eliminate duplicates Z: 7 4.544 1.681 0.316 0.481 0.667 0.667 CA 1.283 Z: 11 6.439 1.770 0.336 0.598 0.900 0.600 CB 0.871 11 residues pruned to eliminate duplicates Z: 7 3.401 1.599 0.401 0.354 0.833 0.500 CB 0.871 Z: 14 2.728 1.502 0.383 0.146 0.692 0.231 CB 0.815 Z: 20 9.568 1.729 0.543 0.265 0.895 0.526 CB 1.202 19 residues pruned to eliminate duplicates Z: 6 2.932 1.310 0.722 0.292 0.800 0.600 CB 0.918 Z: 71 38.193 2.062 0.745 0.547 0.900 0.471 CB 1.346 71 residues pruned to eliminate duplicates Z: 17 12.273 1.748 0.500 0.466 0.875 0.625 N 1.385 17 residues pruned to eliminate duplicates 7 1.019 1.243 0.389 0.083 0.667 0.667 CA 0.620 ? Z: 6 4.328 1.449 0.374 0.566 1.000 0.600 CA 0.912 6 residues pruned to eliminate duplicates Z: 10 16.033 1.928 0.467 0.855 0.889 0.556 CB 1.569 10 residues pruned to eliminate duplicates Z: 6 2.810 1.333 0.499 0.639 0.800 0.600 CB 0.691 Z: 31 20.886 2.114 0.512 0.465 0.900 0.567 CB 1.373 31 residues pruned to eliminate duplicates Z: 9 4.687 1.604 0.202 0.477 0.875 0.625 CB 1.006 9 residues pruned to eliminate duplicates Z: 37 21.297 1.906 0.596 0.547 0.778 0.444 CA 1.433 37 residues pruned to eliminate duplicates Z: 15 7.221 1.872 0.495 0.194 0.714 0.500 CB 1.391 15 residues pruned to eliminate duplicates Z: 11 8.483 1.784 1.110 0.400 1.000 0.800 CB 0.792 11 residues pruned to eliminate duplicates Z: 6 3.776 1.789 -0.112 0.441 0.800 0.400 CB 1.413 4 residues pruned to eliminate duplicates Z: 15 18.175 2.059 0.567 0.905 0.857 0.500 CB 1.250 15 residues pruned to eliminate duplicates Z: 10 6.079 1.680 0.190 0.562 0.778 0.444 CA 1.227 16 residues pruned to eliminate duplicates Z: 22 17.204 1.909 0.373 0.871 0.952 0.524 CA 1.097 22 residues pruned to eliminate duplicates Z: 12 9.830 1.676 1.001 0.469 0.818 0.545 CA 1.115 12 residues pruned to eliminate duplicates Z: 29 27.787 2.047 0.678 0.605 0.893 0.607 CB 1.550 29 residues pruned to eliminate duplicates Z: 24 14.692 2.004 0.674 0.312 0.870 0.435 CB 1.293 29 residues pruned to eliminate duplicates Z: 15 18.741 1.999 0.412 0.727 1.000 0.571 CB 1.447 15 residues pruned to eliminate duplicates Z: 14 11.325 1.888 0.384 0.436 0.923 0.385 CB 1.392 14 residues pruned to eliminate duplicates Z: 10 14.490 2.092 0.497 0.609 1.000 0.444 CA 1.391 10 residues pruned to eliminate duplicates Z: 13 8.062 1.790 0.713 0.307 0.750 0.333 CB 1.253 16 residues pruned to eliminate duplicates Z: 7 3.900 1.792 0.334 0.325 0.667 0.500 CA 1.211 7 residues pruned to eliminate duplicates Z: 6 2.700 1.627 0.331 0.533 0.600 0.400 CA 0.900 Z: 12 11.364 1.903 0.318 0.500 1.000 0.545 CB 1.367 12 residues pruned to eliminate duplicates Z: 15 10.230 1.889 0.614 0.413 0.786 0.714 CB 1.250 15 residues pruned to eliminate duplicates Z: 12 5.792 1.560 0.292 0.578 0.818 0.727 CB 0.982 12 residues pruned to eliminate duplicates Z: 9 2.665 1.712 -0.172 0.309 0.750 0.500 N 1.096 9 residues pruned to eliminate duplicates Z: 7 3.212 1.346 0.594 0.260 0.833 0.500 CA 0.966 Z: 9 7.818 1.532 0.564 0.524 0.875 0.750 C 1.288 6 1.098 1.298 -0.021 0.300 0.600 0.400 CA 0.805 ? Z: 20 28.939 2.042 0.657 0.881 0.947 0.684 CB 1.500 20 residues pruned to eliminate duplicates Z: 14 16.498 1.774 0.538 0.858 1.000 0.615 CA 1.235 14 residues pruned to eliminate duplicates Z: 29 11.025 1.964 0.133 0.366 0.857 0.536 CB 1.261 29 residues pruned to eliminate duplicates 6 1.115 1.288 -0.197 0.375 0.800 0.400 CB 0.689 ? 6 1.588 1.563 0.058 0.293 0.800 0.600 CB 0.677 ? Z: 22 13.873 1.969 0.343 0.441 0.857 0.571 CA 1.419 22 residues pruned to eliminate duplicates Z: 11 16.195 1.916 0.608 0.842 0.900 0.700 CA 1.377 11 residues pruned to eliminate duplicates Z: 23 14.246 1.922 0.219 0.598 0.818 0.682 CB 1.444 23 residues pruned to eliminate duplicates Z: 30 20.761 2.110 0.575 0.438 0.828 0.621 CA 1.494 30 residues pruned to eliminate duplicates Z: 29 29.987 2.063 0.413 0.707 1.000 0.786 CB 1.611 29 residues pruned to eliminate duplicates Z: 11 7.057 1.789 0.297 0.628 0.900 0.900 CB 0.948 11 residues pruned to eliminate duplicates Z: 17 13.809 1.870 0.582 0.534 0.938 0.625 CB 1.203 17 residues pruned to eliminate duplicates Z: 6 2.253 1.292 0.143 0.408 0.800 0.600 O 0.939 Z: 6 2.876 1.479 0.158 0.583 0.800 0.600 N 0.867 Z: 9 5.949 1.697 0.079 0.558 1.000 0.500 CB 1.085 Z: 9 11.257 1.516 0.989 0.622 1.000 0.500 CB 1.176 5 residues pruned to eliminate duplicates Z: 6 2.359 1.486 0.007 0.435 0.800 0.400 N 0.942 Z: 14 12.459 1.848 0.427 0.419 1.000 0.538 CA 1.426 12 residues pruned to eliminate duplicates Z: 10 3.711 1.340 0.378 0.482 0.778 0.444 CB 0.877 Z: 17 28.065 2.122 0.647 0.780 1.000 0.625 CA 1.568 17 residues pruned to eliminate duplicates Z: 18 14.597 1.840 0.120 0.883 1.000 0.882 CA 1.242 18 residues pruned to eliminate duplicates Z: 7 13.622 2.102 0.391 0.759 1.000 0.833 CA 1.511 7 residues pruned to eliminate duplicates Z: 7 4.248 1.627 0.123 0.359 1.000 0.500 CB 1.105 7 residues pruned to eliminate duplicates Z: 32 24.086 1.954 0.559 0.697 0.871 0.677 CB 1.362 32 residues pruned to eliminate duplicates Z: 9 8.218 1.951 0.150 0.591 1.000 0.625 CA 1.186 9 residues pruned to eliminate duplicates Z: 22 13.253 1.966 0.629 0.327 0.762 0.381 CB 1.433 21 residues pruned to eliminate duplicates Z: 8 9.088 1.604 0.460 0.831 0.857 0.571 N 1.285 8 residues pruned to eliminate duplicates Z: 8 6.170 2.005 -0.056 0.624 1.000 0.857 CB 1.096 8 residues pruned to eliminate duplicates Z: 6 2.960 1.523 0.520 0.341 0.800 0.600 CB 0.850 Z: 11 6.971 1.497 0.577 0.426 0.800 0.400 CB 1.260 Z: 6 5.481 1.407 0.223 0.829 1.000 1.000 N 1.072 6 1.470 1.225 0.486 0.272 0.800 0.600 N 0.584 ? Z: 13 4.054 1.523 0.290 0.255 0.667 0.333 CB 1.183 13 residues pruned to eliminate duplicates Z: 7 4.853 1.487 0.258 0.540 1.000 1.000 CA 1.018 7 residues pruned to eliminate duplicates Z: 7 8.466 1.898 0.673 0.474 0.833 0.500 CA 1.341 7 residues pruned to eliminate duplicates Z: 7 2.114 1.478 0.232 0.553 0.667 0.667 C 0.675 7 residues pruned to eliminate duplicates Z: 19 12.888 1.822 0.494 0.329 0.889 0.556 CB 1.514 19 residues pruned to eliminate duplicates Z: 7 6.559 2.053 0.524 0.687 0.833 0.833 CB 0.865 7 residues pruned to eliminate duplicates Z: 8 5.239 1.640 0.322 0.647 1.000 0.857 CB 0.796 8 residues pruned to eliminate duplicates Z: 6 3.463 1.526 0.223 0.585 0.800 0.800 CB 0.956 Z: 16 43.001 2.109 1.183 0.855 1.000 0.400 CB 1.779 16 residues pruned to eliminate duplicates Z: 8 9.633 1.818 0.836 0.471 1.000 0.429 CA 1.123 8 residues pruned to eliminate duplicates 6 1.900 1.351 0.386 0.405 0.800 0.800 CB 0.627 ? 6 1.623 1.309 0.616 0.258 0.600 0.400 C 0.755 ? Z: 12 6.152 1.866 0.288 0.442 0.636 0.273 CB 1.287 12 residues pruned to eliminate duplicates Z: 14 6.949 1.828 0.343 0.305 0.769 0.308 CB 1.267 14 residues pruned to eliminate duplicates Z: 6 4.291 1.222 0.277 0.762 1.000 0.800 N 0.974 Z: 9 3.970 1.392 0.417 0.376 0.875 0.250 CB 0.929 7 residues pruned to eliminate duplicates 6 1.063 1.432 0.112 0.241 0.400 0.400 CA 1.007 ? Z: 8 5.074 1.523 0.335 0.502 0.857 0.429 CB 1.098 Z: 7 2.198 1.605 0.271 0.249 0.500 0.333 C 1.176 Z: 9 6.601 1.629 0.498 0.407 1.000 0.625 CB 1.054 Z: 26 12.843 1.916 0.308 0.395 0.840 0.600 CA 1.363 26 residues pruned to eliminate duplicates Z: 18 17.643 1.892 0.666 0.558 0.941 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 6 2.043 1.278 0.080 0.419 0.800 0.800 CA 0.901 Z: 27 16.577 1.818 0.527 0.508 0.846 0.538 N 1.373 27 residues pruned to eliminate duplicates Z: 7 5.579 1.349 0.313 0.679 1.000 0.667 O 1.090 Z: 21 16.143 2.033 0.388 0.518 0.950 0.650 CB 1.322 21 residues pruned to eliminate duplicates 6 1.721 1.439 -0.194 0.337 0.800 0.600 N 0.990 ? Z: 11 4.818 1.502 0.321 0.247 0.900 0.400 CA 1.142 11 residues pruned to eliminate duplicates Z: 45 20.927 1.950 0.418 0.448 0.841 0.523 CA 1.431 45 residues pruned to eliminate duplicates Z: 9 2.262 1.539 0.109 0.568 0.750 0.625 CB 0.585 9 residues pruned to eliminate duplicates Z: 11 4.189 1.766 0.047 0.226 0.800 0.600 CA 1.234 6 residues pruned to eliminate duplicates Z: 6 3.765 1.711 -0.010 0.583 1.000 0.400 CA 0.918 7 residues pruned to eliminate duplicates Z: 21 17.395 1.953 0.416 0.589 1.000 0.750 CA 1.291 21 residues pruned to eliminate duplicates Z: 8 2.850 1.356 0.480 0.255 0.857 0.429 CB 0.829 Z: 35 12.054 1.867 0.341 0.353 0.765 0.529 CB 1.267 35 residues pruned to eliminate duplicates Z: 9 6.180 1.646 0.430 0.359 0.875 0.625 CB 1.235 6 residues pruned to eliminate duplicates Z: 7 7.819 1.718 0.282 0.644 1.000 0.833 N 1.268 7 residues pruned to eliminate duplicates Z: 6 3.191 1.393 0.063 0.607 1.000 0.400 CB 0.871 Z: 6 8.275 1.816 0.210 0.821 1.000 1.000 CB 1.275 6 residues pruned to eliminate duplicates Z: 28 15.364 1.804 0.384 0.403 0.963 0.593 CB 1.361 28 residues pruned to eliminate duplicates Z: 6 3.238 1.402 0.216 0.672 0.800 0.600 N 0.906 Z: 11 6.137 1.847 0.655 0.179 0.800 0.300 CB 1.168 11 residues pruned to eliminate duplicates Z: 7 3.215 1.523 0.059 0.455 0.833 0.667 CB 1.023 Z: 8 3.299 1.488 0.605 0.261 0.571 0.286 CA 1.200 8 residues pruned to eliminate duplicates 6 1.292 0.933 0.129 0.485 1.000 0.800 CB 0.557 ? 7 1.799 1.371 -0.146 0.249 0.833 0.667 CA 1.005 ? Z: 23 24.982 2.049 0.682 0.529 0.909 0.591 CB 1.651 23 residues pruned to eliminate duplicates Z: 6 2.556 1.262 0.331 0.514 0.800 0.800 CB 0.839 6 residues pruned to eliminate duplicates Z: 20 22.083 1.905 0.542 0.909 0.947 0.632 CA 1.292 20 residues pruned to eliminate duplicates Z: 20 8.727 1.949 0.389 0.483 0.632 0.263 CB 1.191 20 residues pruned to eliminate duplicates Z: 6 2.197 1.382 0.538 0.359 0.800 0.400 CB 0.673 8 1.803 1.260 0.545 0.390 0.714 0.429 CB 0.551 ? Z: 60 30.276 2.125 0.659 0.378 0.831 0.525 CB 1.533 60 residues pruned to eliminate duplicates Z: 11 9.465 1.663 0.454 0.867 0.900 0.900 CA 1.006 11 residues pruned to eliminate duplicates Z: 6 3.017 1.622 -0.151 0.367 1.000 0.600 O 1.129 6 residues pruned to eliminate duplicates Z: 8 5.894 1.621 0.598 0.319 0.857 0.571 C 1.226 Z: 6 2.479 1.657 -0.185 0.603 0.800 0.600 CB 0.931 6 residues pruned to eliminate duplicates Z: 21 9.898 1.836 0.121 0.437 0.850 0.700 CA 1.350 21 residues pruned to eliminate duplicates Z: 6 2.522 1.702 0.247 0.100 0.800 0.200 CB 1.107 Z: 15 6.800 1.616 0.236 0.485 1.000 0.500 CB 0.923 26 residues pruned to eliminate duplicates Z: 18 26.801 2.084 0.816 0.921 0.941 0.824 CB 1.284 18 residues pruned to eliminate duplicates 6 1.374 1.294 0.239 0.666 0.800 0.600 CB 0.411 ? Z: 24 15.499 1.916 0.394 0.498 0.913 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 15 12.420 1.811 0.555 0.446 0.857 0.571 CA 1.455 15 residues pruned to eliminate duplicates 6 1.159 1.248 0.510 0.100 0.600 0.200 CB 0.764 ? Z: 7 4.259 1.794 0.356 0.630 1.000 0.667 CB 0.633 8 1.369 1.291 0.349 0.071 0.714 0.429 CB 0.728 ? Z: 7 2.472 1.242 0.510 0.383 0.833 0.333 N 0.731 6 1.990 1.474 0.534 0.422 0.400 0.400 CB 1.067 ? Z: 11 11.824 2.021 0.351 0.802 0.900 0.800 CB 1.168 11 residues pruned to eliminate duplicates Z: 15 18.040 2.058 0.542 0.551 0.929 0.500 CA 1.556 15 residues pruned to eliminate duplicates 6 1.624 1.323 0.031 0.499 0.800 0.600 CB 0.666 ? 6 0.927 1.303 0.762 0.295 0.400 0.400 CB 0.568 ? Z: 15 14.367 1.952 0.579 0.537 0.929 0.786 CB 1.294 15 residues pruned to eliminate duplicates Z: 12 8.814 1.908 0.180 0.486 0.909 0.455 CA 1.316 12 residues pruned to eliminate duplicates Z: 7 2.278 1.363 0.231 0.542 0.667 0.667 CB 0.798 7 residues pruned to eliminate duplicates 9 1.367 1.436 -0.048 0.189 0.625 0.375 N 0.820 ? Z: 20 25.297 1.945 0.882 0.926 0.789 0.316 CB 1.409 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 16.695 1.956 0.400 0.413 0.967 0.433 CB 1.261 30 residues pruned to eliminate duplicates Z: 6 3.475 1.602 0.245 0.402 1.000 0.600 N 0.864 Z: 6 2.198 1.543 0.235 0.259 0.800 0.600 CA 0.849 6 residues pruned to eliminate duplicates Z: 18 10.943 1.977 0.290 0.433 0.824 0.471 CB 1.353 20 residues pruned to eliminate duplicates Z: 6 3.966 1.678 0.598 0.295 0.800 0.600 CA 1.040 6 residues pruned to eliminate duplicates Z: 12 8.491 1.977 0.312 0.419 0.818 0.545 CB 1.312 12 residues pruned to eliminate duplicates Z: 16 10.099 1.968 0.470 0.339 0.800 0.467 CB 1.343 16 residues pruned to eliminate duplicates Z: 18 10.423 1.911 0.466 0.290 0.824 0.588 CB 1.387 18 residues pruned to eliminate duplicates Z: 21 8.092 1.908 0.369 0.260 0.800 0.450 CB 1.140 21 residues pruned to eliminate duplicates Z: 10 7.432 1.938 0.547 0.462 0.778 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 9 9.528 2.058 0.362 0.464 0.875 0.750 CB 1.425 9 residues pruned to eliminate duplicates Z: 39 18.536 2.010 0.389 0.374 0.816 0.526 CA 1.510 39 residues pruned to eliminate duplicates Z: 24 14.854 1.996 0.423 0.394 0.870 0.609 CA 1.403 24 residues pruned to eliminate duplicates Z: 25 12.387 1.942 0.277 0.314 0.833 0.542 CB 1.502 25 residues pruned to eliminate duplicates Z: 21 16.398 2.066 0.403 0.437 0.900 0.650 CA 1.500 21 residues pruned to eliminate duplicates Z: 7 3.859 1.812 0.142 0.401 0.667 0.500 CB 1.268 7 residues pruned to eliminate duplicates Z: 24 13.222 1.973 0.453 0.403 0.826 0.696 CA 1.290 24 residues pruned to eliminate duplicates Z: 24 13.735 2.006 0.304 0.404 0.826 0.739 CA 1.466 24 residues pruned to eliminate duplicates Z: 24 11.487 1.958 0.270 0.373 0.826 0.565 CA 1.334 24 residues pruned to eliminate duplicates Z: 15 11.740 1.938 0.323 0.330 0.929 0.643 CA 1.587 15 residues pruned to eliminate duplicates Z: 24 14.734 1.996 0.348 0.384 0.870 0.652 CA 1.485 24 residues pruned to eliminate duplicates Z: 21 18.104 2.066 0.527 0.431 0.900 0.750 CA 1.531 21 residues pruned to eliminate duplicates Z: 7 4.211 1.328 0.748 0.462 0.833 0.500 CA 0.924 7 residues pruned to eliminate duplicates Z: 24 14.296 1.972 0.397 0.407 0.826 0.565 CA 1.444 24 residues pruned to eliminate duplicates Z: 22 14.734 1.978 0.386 0.475 0.857 0.714 CA 1.403 22 residues pruned to eliminate duplicates Z: 23 17.289 2.028 0.432 0.441 0.909 0.727 CA 1.483 23 residues pruned to eliminate duplicates Z: 22 15.214 1.975 0.507 0.437 0.857 0.571 CA 1.389 22 residues pruned to eliminate duplicates Z: 21 18.107 2.017 0.546 0.473 0.900 0.700 CA 1.483 21 residues pruned to eliminate duplicates Z: 23 15.511 1.921 0.445 0.424 0.909 0.682 CA 1.419 23 residues pruned to eliminate duplicates Z: 11 4.755 1.792 0.469 0.216 0.700 0.400 CA 1.140 11 residues pruned to eliminate duplicates Z: 10 7.250 1.964 0.547 0.258 0.778 0.333 CB 1.349 10 residues pruned to eliminate duplicates Z: 7 13.396 2.070 0.417 0.805 1.000 1.000 CA 1.429 7 residues pruned to eliminate duplicates Z: 10 12.081 1.871 0.692 0.600 0.889 0.778 CA 1.300 11 residues pruned to eliminate duplicates Z: 7 14.179 2.014 0.428 0.805 1.000 1.000 CB 1.543 7 residues pruned to eliminate duplicates Z: 8 11.164 1.962 0.625 0.691 0.857 0.857 CB 1.297 8 residues pruned to eliminate duplicates Z: 7 14.938 2.090 0.468 0.830 1.000 1.000 CA 1.495 7 residues pruned to eliminate duplicates Z: 15 15.996 1.954 0.556 0.464 0.929 0.500 CA 1.571 16 residues pruned to eliminate duplicates Z: 8 5.886 1.523 0.958 0.282 0.857 0.429 CA 1.113 8 residues pruned to eliminate duplicates Z: 23 15.779 1.984 0.341 0.527 0.818 0.636 CB 1.505 50 residues pruned to eliminate duplicates Z: 14 10.279 1.940 0.419 0.428 0.846 0.692 CA 1.319 Z: 7 4.116 1.336 0.334 0.470 1.000 0.667 CA 0.972 7 residues pruned to eliminate duplicates Z: 25 17.215 1.923 0.432 0.613 0.833 0.542 CB 1.375 39 residues pruned to eliminate duplicates Z: 11 15.136 2.055 0.692 0.614 0.900 0.800 CA 1.373 Z: 7 9.358 1.815 0.798 0.475 1.000 0.833 CA 1.200 7 residues pruned to eliminate duplicates Z: 10 8.592 1.929 0.848 0.295 0.778 0.444 CA 1.298 10 residues pruned to eliminate duplicates Z: 14 6.810 1.588 1.046 0.260 0.769 0.462 CB 0.994 14 residues pruned to eliminate duplicates Z: 9 10.534 2.023 1.063 0.307 0.875 0.625 CB 1.264 9 residues pruned to eliminate duplicates Z: 10 10.266 1.866 0.860 0.355 0.889 0.556 CB 1.298 9 residues pruned to eliminate duplicates Z: 6 2.665 1.540 0.680 0.332 0.800 0.400 CB 0.692 6 residues pruned to eliminate duplicates Z: 9 11.608 1.998 0.786 0.431 1.000 0.375 CB 1.235 9 residues pruned to eliminate duplicates Z: 9 12.079 1.947 0.259 0.817 0.875 0.500 CA 1.513 Z: 17 22.613 2.026 0.612 0.896 0.938 0.688 CA 1.322 26 residues pruned to eliminate duplicates Z: 18 18.119 1.928 0.444 0.821 0.941 0.588 CA 1.271 18 residues pruned to eliminate duplicates Z: 23 20.908 1.941 0.589 0.826 0.864 0.545 CA 1.262 23 residues pruned to eliminate duplicates Z: 23 17.612 1.862 0.552 0.694 0.864 0.364 CA 1.259 23 residues pruned to eliminate duplicates Z: 16 26.861 2.031 0.752 0.815 1.000 0.467 CA 1.482 16 residues pruned to eliminate duplicates Z: 21 28.602 2.016 0.797 0.852 0.900 0.250 CA 1.451 21 residues pruned to eliminate duplicates Z: 21 22.605 1.895 0.788 0.760 0.850 0.300 CA 1.393 21 residues pruned to eliminate duplicates Z: 51 30.412 1.949 0.553 0.556 0.900 0.520 CA 1.494 51 residues pruned to eliminate duplicates Z: 28 23.651 1.968 0.643 0.724 0.815 0.259 CA 1.411 28 residues pruned to eliminate duplicates Z: 21 26.404 1.988 0.686 0.808 0.950 0.350 CA 1.417 21 residues pruned to eliminate duplicates Z: 21 26.220 1.978 0.578 0.876 0.950 0.300 CA 1.437 21 residues pruned to eliminate duplicates Z: 11 15.541 1.842 0.597 0.821 0.900 0.100 CB 1.406 11 residues pruned to eliminate duplicates Z: 26 22.015 1.868 0.543 0.786 0.880 0.360 CA 1.351 26 residues pruned to eliminate duplicates Z: 16 19.184 1.913 0.769 0.750 0.867 0.200 CA 1.352 16 residues pruned to eliminate duplicates Z: 18 15.691 1.722 0.599 0.717 0.882 0.353 CA 1.287 18 residues pruned to eliminate duplicates Z: 30 23.646 1.939 0.598 0.776 0.828 0.241 CB 1.343 30 residues pruned to eliminate duplicates Z: 21 23.290 2.023 0.552 0.852 0.850 0.400 CA 1.443 21 residues pruned to eliminate duplicates Z: 22 27.194 2.024 0.599 0.851 0.952 0.429 CA 1.425 22 residues pruned to eliminate duplicates Z: 54 32.745 2.027 0.599 0.568 0.887 0.472 CA 1.464 54 residues pruned to eliminate duplicates Z: 56 40.969 2.055 0.644 0.638 0.909 0.600 CB 1.580 56 residues pruned to eliminate duplicates Z: 30 23.693 1.959 0.594 0.764 0.793 0.241 CA 1.405 30 residues pruned to eliminate duplicates Z: 34 22.410 1.937 0.550 0.674 0.758 0.455 CA 1.461 34 residues pruned to eliminate duplicates Z: 14 15.363 1.960 0.735 0.562 0.846 0.385 CA 1.395 14 residues pruned to eliminate duplicates Z: 33 26.766 2.092 0.659 0.465 0.906 0.438 CB 1.558 33 residues pruned to eliminate duplicates Z: 30 21.727 1.946 0.593 0.720 0.724 0.310 CB 1.473 30 residues pruned to eliminate duplicates Z: 32 24.559 2.095 0.568 0.459 0.871 0.387 CB 1.607 32 residues pruned to eliminate duplicates Z: 14 14.822 2.020 0.486 0.653 0.769 0.538 CB 1.544 14 residues pruned to eliminate duplicates Z: 14 15.991 1.964 0.584 0.673 0.769 0.385 CB 1.579 14 residues pruned to eliminate duplicates Z: 13 18.461 2.079 0.691 0.647 0.917 0.417 CA 1.442 13 residues pruned to eliminate duplicates Z: 33 27.494 2.098 0.580 0.475 0.906 0.469 CB 1.659 33 residues pruned to eliminate duplicates Z: 36 26.512 2.082 0.594 0.507 0.857 0.486 CB 1.563 36 residues pruned to eliminate duplicates Z: 34 23.522 2.078 0.550 0.473 0.848 0.485 CA 1.539 34 residues pruned to eliminate duplicates Z: 35 24.006 2.051 0.635 0.438 0.824 0.500 CA 1.590 35 residues pruned to eliminate duplicates Z: 34 20.069 2.049 0.515 0.392 0.788 0.485 CB 1.601 34 residues pruned to eliminate duplicates Z: 34 22.641 2.050 0.479 0.422 0.909 0.364 CB 1.552 34 residues pruned to eliminate duplicates Z: 33 19.994 2.055 0.364 0.419 0.812 0.406 CB 1.688 33 residues pruned to eliminate duplicates Z: 31 28.311 2.123 0.663 0.445 0.933 0.367 CA 1.661 31 residues pruned to eliminate duplicates Z: 32 21.363 2.022 0.439 0.431 0.903 0.516 CA 1.569 32 residues pruned to eliminate duplicates Z: 32 23.160 2.104 0.448 0.486 0.839 0.581 CB 1.651 32 residues pruned to eliminate duplicates Z: 31 23.379 2.118 0.563 0.416 0.867 0.567 CA 1.625 31 residues pruned to eliminate duplicates Z: 24 17.765 2.092 0.513 0.320 0.913 0.609 CA 1.563 24 residues pruned to eliminate duplicates Z: 16 15.367 2.168 0.463 0.364 0.867 0.467 CA 1.670 16 residues pruned to eliminate duplicates Z: 33 21.089 2.071 0.491 0.416 0.812 0.500 CA 1.623 33 residues pruned to eliminate duplicates Z: 24 14.917 1.931 0.466 0.390 0.870 0.435 CB 1.420 24 residues pruned to eliminate duplicates Z: 32 24.065 2.057 0.548 0.430 0.903 0.484 CB 1.616 32 residues pruned to eliminate duplicates Z: 34 19.689 2.037 0.610 0.415 0.758 0.424 CA 1.508 34 residues pruned to eliminate duplicates Z: 31 23.490 2.127 0.561 0.419 0.867 0.433 CA 1.623 31 residues pruned to eliminate duplicates Z: 33 24.093 2.110 0.507 0.442 0.875 0.500 CA 1.626 33 residues pruned to eliminate duplicates Z: 32 22.086 2.067 0.601 0.407 0.839 0.452 CA 1.576 32 residues pruned to eliminate duplicates Z: 34 24.582 2.071 0.570 0.479 0.879 0.394 CA 1.529 34 residues pruned to eliminate duplicates Z: 34 22.341 2.061 0.590 0.391 0.848 0.455 CA 1.570 34 residues pruned to eliminate duplicates Z: 10 7.786 1.859 0.551 0.439 0.667 0.556 CB 1.439 10 residues pruned to eliminate duplicates Z: 35 22.251 2.028 0.583 0.489 0.824 0.529 CA 1.460 35 residues pruned to eliminate duplicates Z: 24 16.271 1.894 0.588 0.431 0.870 0.435 CA 1.394 24 residues pruned to eliminate duplicates Z: 29 19.018 2.005 0.610 0.405 0.857 0.429 CB 1.436 29 residues pruned to eliminate duplicates Z: 9 10.773 1.927 0.985 0.535 0.875 0.625 CB 1.099 8 residues pruned to eliminate duplicates Z: 6 5.395 1.770 0.740 0.394 0.800 0.800 CB 1.096 6 residues pruned to eliminate duplicates Z: 6 9.388 2.013 0.604 0.404 1.000 0.400 CA 1.438 6 residues pruned to eliminate duplicates Z: 7 9.486 2.030 0.297 0.588 0.833 0.500 CA 1.621 7 residues pruned to eliminate duplicates Z: 8 7.489 2.073 0.105 0.502 0.857 0.714 CA 1.440 8 residues pruned to eliminate duplicates Z: 10 6.395 2.021 0.015 0.472 0.889 0.667 CA 1.203 10 residues pruned to eliminate duplicates Z: 12 9.022 1.855 0.195 0.465 0.909 0.636 CA 1.399 11 residues pruned to eliminate duplicates Z: 6 4.332 1.445 0.875 0.421 1.000 0.400 CA 0.776 7 residues pruned to eliminate duplicates Z: 8 7.377 1.794 0.889 0.422 0.714 0.429 CA 1.249 8 residues pruned to eliminate duplicates Z: 16 18.019 1.934 0.574 0.539 0.933 0.667 CA 1.576 16 residues pruned to eliminate duplicates Z: 15 13.209 1.958 0.460 0.488 0.929 0.643 CA 1.345 15 residues pruned to eliminate duplicates Z: 15 16.467 1.960 0.480 0.495 0.929 0.571 CA 1.642 15 residues pruned to eliminate duplicates Z: 11 15.060 1.979 0.763 0.540 0.900 0.500 CA 1.458 10 residues pruned to eliminate duplicates Z: 6 5.120 1.626 0.390 0.393 1.000 0.600 CA 1.135 6 residues pruned to eliminate duplicates Z: 15 15.387 1.919 0.525 0.534 1.000 0.786 CA 1.360 15 residues pruned to eliminate duplicates Z: 24 14.192 1.882 0.354 0.418 0.870 0.435 CB 1.455 24 residues pruned to eliminate duplicates Z: 21 15.970 1.988 0.406 0.473 0.850 0.600 CB 1.544 21 residues pruned to eliminate duplicates Z: 16 16.029 1.942 0.525 0.528 0.933 0.667 CA 1.457 16 residues pruned to eliminate duplicates Z: 22 18.550 1.984 0.413 0.507 0.905 0.619 CA 1.585 22 residues pruned to eliminate duplicates Z: 22 17.449 1.918 0.507 0.444 0.905 0.476 CB 1.542 22 residues pruned to eliminate duplicates Z: 6 2.390 1.676 0.285 0.254 0.600 0.400 C 1.098 6 residues pruned to eliminate duplicates Z: 10 16.295 2.099 0.697 0.599 1.000 0.556 CA 1.388 10 residues pruned to eliminate duplicates Z: 10 17.226 2.096 0.690 0.717 1.000 0.667 CA 1.332 9 residues pruned to eliminate duplicates Z: 12 13.420 1.909 0.693 0.594 0.909 0.545 CB 1.258 9 residues pruned to eliminate duplicates Z: 6 4.290 1.556 0.302 0.396 0.800 0.000 CA 1.322 6 residues pruned to eliminate duplicates Z: 39 18.674 1.943 0.425 0.326 0.895 0.526 CA 1.481 39 residues pruned to eliminate duplicates Z: 13 7.497 1.717 0.352 0.329 0.833 0.250 CB 1.350 7 residues pruned to eliminate duplicates Z: 11 7.897 1.797 0.464 0.296 0.900 0.200 CA 1.325 11 residues pruned to eliminate duplicates Z: 11 7.686 1.869 0.231 0.242 0.900 0.200 N 1.581 11 residues pruned to eliminate duplicates Z: 9 6.887 1.990 0.357 0.308 0.750 0.250 CA 1.487 9 residues pruned to eliminate duplicates Z: 44 17.035 1.867 0.337 0.340 0.884 0.419 CB 1.401 44 residues pruned to eliminate duplicates Z: 43 15.078 1.871 0.333 0.317 0.833 0.429 CB 1.370 43 residues pruned to eliminate duplicates Z: 33 15.377 1.918 0.296 0.320 0.938 0.562 CA 1.423 33 residues pruned to eliminate duplicates Z: 26 14.547 1.968 0.329 0.327 0.960 0.560 CB 1.402 26 residues pruned to eliminate duplicates Z: 33 19.716 1.898 0.543 0.368 0.906 0.469 CA 1.513 33 residues pruned to eliminate duplicates Z: 40 16.860 1.933 0.312 0.332 0.872 0.487 CB 1.469 40 residues pruned to eliminate duplicates Z: 23 14.811 1.932 0.487 0.403 0.909 0.545 CB 1.338 23 residues pruned to eliminate duplicates Z: 24 16.122 1.979 0.530 0.338 0.957 0.435 CB 1.386 24 residues pruned to eliminate duplicates Z: 25 16.558 1.907 0.560 0.385 1.000 0.583 CB 1.284 25 residues pruned to eliminate duplicates Z: 31 15.946 1.958 0.315 0.346 0.933 0.600 CB 1.431 31 residues pruned to eliminate duplicates Z: 33 17.526 1.954 0.427 0.350 0.938 0.562 CB 1.395 33 residues pruned to eliminate duplicates Z: 32 15.533 1.925 0.333 0.334 0.903 0.516 CB 1.443 32 residues pruned to eliminate duplicates Z: 29 15.706 1.972 0.377 0.383 0.929 0.679 CB 1.334 29 residues pruned to eliminate duplicates Z: 30 15.981 1.981 0.346 0.347 0.931 0.655 CB 1.411 30 residues pruned to eliminate duplicates Z: 26 12.483 1.940 0.369 0.315 0.880 0.640 CB 1.310 26 residues pruned to eliminate duplicates Z: 23 18.065 1.968 0.507 0.412 0.955 0.727 CB 1.491 23 residues pruned to eliminate duplicates Z: 31 16.324 1.973 0.464 0.348 0.933 0.533 CB 1.304 31 residues pruned to eliminate duplicates Z: 26 15.075 1.879 0.421 0.311 0.960 0.560 CB 1.451 26 residues pruned to eliminate duplicates Z: 30 15.820 1.977 0.331 0.316 0.931 0.517 CB 1.468 30 residues pruned to eliminate duplicates Z: 21 17.712 1.976 0.661 0.399 1.000 0.650 CB 1.342 21 residues pruned to eliminate duplicates Z: 39 20.742 1.954 0.479 0.353 0.947 0.500 CA 1.441 39 residues pruned to eliminate duplicates Z: 21 14.896 2.010 0.343 0.395 0.950 0.500 CB 1.451 21 residues pruned to eliminate duplicates Z: 33 13.672 1.945 0.314 0.313 0.906 0.500 CB 1.282 33 residues pruned to eliminate duplicates Z: 31 16.411 1.964 0.343 0.355 0.933 0.500 CB 1.424 31 residues pruned to eliminate duplicates Z: 30 15.683 1.935 0.417 0.359 0.931 0.517 CB 1.327 30 residues pruned to eliminate duplicates Z: 31 15.984 1.978 0.352 0.338 0.933 0.700 CB 1.396 31 residues pruned to eliminate duplicates Z: 28 15.589 1.970 0.340 0.394 0.963 0.704 CB 1.320 28 residues pruned to eliminate duplicates Z: 8 4.778 1.899 0.180 0.329 0.857 0.429 CB 1.134 8 residues pruned to eliminate duplicates Z: 34 16.071 1.903 0.423 0.345 0.879 0.485 CB 1.390 34 residues pruned to eliminate duplicates Z: 43 17.358 1.895 0.384 0.329 0.833 0.476 CB 1.479 43 residues pruned to eliminate duplicates Z: 41 13.692 1.842 0.243 0.297 0.850 0.525 CB 1.395 41 residues pruned to eliminate duplicates Z: 52 21.469 1.890 0.455 0.371 0.863 0.471 CA 1.455 52 residues pruned to eliminate duplicates Z: 17 11.327 1.815 0.266 0.469 0.875 0.375 CA 1.454 17 residues pruned to eliminate duplicates Z: 41 16.564 1.930 0.296 0.362 0.875 0.450 CB 1.387 41 residues pruned to eliminate duplicates Z: 41 19.891 1.959 0.395 0.376 0.875 0.575 CA 1.501 41 residues pruned to eliminate duplicates Z: 18 10.934 1.788 0.516 0.366 0.824 0.471 CB 1.371 18 residues pruned to eliminate duplicates Z: 47 19.118 1.940 0.373 0.351 0.870 0.587 CB 1.431 47 residues pruned to eliminate duplicates Z: 6 9.529 1.942 0.540 0.685 0.800 0.800 CB 1.503 6 residues pruned to eliminate duplicates Z: 7 7.555 1.708 0.692 0.568 0.833 0.500 CA 1.200 7 residues pruned to eliminate duplicates Z: 20 12.193 1.917 0.356 0.427 0.842 0.579 CA 1.378 20 residues pruned to eliminate duplicates Z: 17 11.271 1.907 0.404 0.469 0.875 0.562 CB 1.240 18 residues pruned to eliminate duplicates Z: 50 18.683 1.931 0.437 0.365 0.857 0.571 CB 1.297 50 residues pruned to eliminate duplicates Z: 11 11.440 1.985 0.437 0.609 0.900 0.900 CB 1.271 10 residues pruned to eliminate duplicates Z: 10 10.956 1.955 0.319 0.672 1.000 0.889 CB 1.209 10 residues pruned to eliminate duplicates Z: 54 20.355 1.950 0.357 0.368 0.849 0.566 CB 1.433 54 residues pruned to eliminate duplicates Z: 11 10.487 1.969 0.383 0.530 0.900 0.500 CB 1.314 11 residues pruned to eliminate duplicates Z: 11 9.306 1.997 0.358 0.556 0.800 0.600 CB 1.284 11 residues pruned to eliminate duplicates Z: 25 12.194 1.852 0.333 0.436 0.750 0.583 CB 1.436 25 residues pruned to eliminate duplicates Z: 44 16.676 1.884 0.409 0.364 0.837 0.465 CB 1.324 44 residues pruned to eliminate duplicates Z: 9 8.307 2.001 0.267 0.547 0.875 0.750 CB 1.264 9 residues pruned to eliminate duplicates Z: 10 9.040 1.965 0.306 0.584 0.889 0.667 CB 1.219 10 residues pruned to eliminate duplicates Z: 8 5.505 1.722 0.435 0.423 0.857 0.571 CB 1.065 Z: 17 4.116 1.583 0.596 0.205 0.500 0.125 CB 1.156 17 residues pruned to eliminate duplicates Z: 23 14.110 1.949 0.434 0.403 0.955 0.500 CA 1.249 23 residues pruned to eliminate duplicates Z: 24 14.134 1.976 0.343 0.392 0.913 0.522 CA 1.363 24 residues pruned to eliminate duplicates Z: 23 15.494 1.992 0.377 0.373 0.955 0.409 CB 1.445 23 residues pruned to eliminate duplicates Z: 35 20.353 2.003 0.486 0.407 0.941 0.441 CA 1.374 35 residues pruned to eliminate duplicates Z: 23 16.621 2.050 0.408 0.369 0.909 0.455 CA 1.554 23 residues pruned to eliminate duplicates Z: 22 16.429 2.073 0.452 0.379 0.905 0.571 CA 1.498 22 residues pruned to eliminate duplicates Z: 22 10.325 1.911 0.264 0.255 0.952 0.571 CA 1.298 22 residues pruned to eliminate duplicates Z: 33 16.433 1.970 0.319 0.464 0.875 0.531 CA 1.326 33 residues pruned to eliminate duplicates Z: 25 14.419 1.877 0.471 0.332 0.917 0.500 CA 1.397 25 residues pruned to eliminate duplicates Z: 23 14.397 2.014 0.416 0.406 0.864 0.318 CA 1.375 23 residues pruned to eliminate duplicates Z: 18 8.171 1.832 0.091 0.282 1.000 0.529 CA 1.268 18 residues pruned to eliminate duplicates Z: 32 16.814 2.030 0.339 0.396 0.968 0.516 CA 1.281 32 residues pruned to eliminate duplicates Z: 22 15.845 2.029 0.415 0.387 0.905 0.429 CA 1.501 22 residues pruned to eliminate duplicates Z: 20 13.933 2.113 0.324 0.410 0.789 0.474 CA 1.590 20 residues pruned to eliminate duplicates Z: 24 16.121 1.969 0.356 0.382 0.957 0.348 CA 1.492 24 residues pruned to eliminate duplicates Z: 24 13.356 1.966 0.204 0.387 0.870 0.391 CA 1.526 24 residues pruned to eliminate duplicates Z: 21 8.460 1.774 0.115 0.317 0.850 0.350 CA 1.377 21 residues pruned to eliminate duplicates Z: 23 12.476 1.921 0.478 0.379 0.773 0.455 CA 1.379 23 residues pruned to eliminate duplicates Z: 53 22.005 2.012 0.375 0.416 0.865 0.596 CA 1.391 69 residues pruned to eliminate duplicates Z: 7 5.334 1.619 0.707 0.387 0.833 0.667 CA 1.066 7 residues pruned to eliminate duplicates Z: 49 21.241 2.032 0.318 0.413 0.917 0.438 CA 1.369 49 residues pruned to eliminate duplicates Z: 14 11.976 2.019 0.578 0.449 0.846 0.615 CB 1.298 14 residues pruned to eliminate duplicates Z: 30 16.469 2.024 0.413 0.436 0.897 0.552 CB 1.275 30 residues pruned to eliminate duplicates Z: 23 18.569 2.112 0.524 0.557 0.909 0.682 CB 1.280 23 residues pruned to eliminate duplicates Z: 24 22.068 2.074 0.708 0.513 0.957 0.652 CA 1.340 24 residues pruned to eliminate duplicates Z: 30 16.683 1.932 0.510 0.491 0.897 0.586 CB 1.195 30 residues pruned to eliminate duplicates Z: 25 16.420 2.004 0.555 0.519 0.875 0.667 CB 1.206 25 residues pruned to eliminate duplicates Z: 23 21.147 2.118 0.563 0.549 0.909 0.591 CA 1.429 23 residues pruned to eliminate duplicates Z: 7 7.852 1.892 0.346 0.489 0.833 0.500 CA 1.528 7 residues pruned to eliminate duplicates Z: 16 14.222 2.139 0.348 0.426 0.800 0.467 CB 1.719 16 residues pruned to eliminate duplicates Z: 17 11.352 2.127 0.220 0.427 0.875 0.500 CB 1.348 17 residues pruned to eliminate duplicates Z: 14 14.408 2.225 0.304 0.396 0.923 0.462 CB 1.665 14 residues pruned to eliminate duplicates Z: 20 11.634 2.157 0.311 0.335 0.737 0.368 CB 1.534 20 residues pruned to eliminate duplicates Z: 18 13.534 2.008 0.228 0.439 0.882 0.529 CB 1.607 18 residues pruned to eliminate duplicates Z: 24 14.111 2.012 0.272 0.353 0.870 0.435 CB 1.550 24 residues pruned to eliminate duplicates Z: 35 14.755 2.129 0.315 0.298 0.765 0.265 CB 1.481 37 residues pruned to eliminate duplicates Z: 6 3.820 1.781 0.192 0.207 1.000 0.600 CB 1.138 6 residues pruned to eliminate duplicates Z: 11 7.569 2.181 0.426 0.149 0.800 0.400 CB 1.483 11 residues pruned to eliminate duplicates Z: 15 8.287 2.139 0.317 0.168 0.786 0.214 CB 1.499 15 residues pruned to eliminate duplicates Z: 14 7.101 2.101 0.347 0.236 0.692 0.308 CB 1.365 14 residues pruned to eliminate duplicates Z: 15 7.003 2.153 0.261 0.193 0.714 0.357 CB 1.393 15 residues pruned to eliminate duplicates Z: 15 7.125 2.167 0.134 0.192 0.786 0.357 CB 1.426 15 residues pruned to eliminate duplicates Z: 20 11.101 1.986 0.416 0.208 0.895 0.158 CB 1.429 20 residues pruned to eliminate duplicates Z: 13 7.532 2.224 0.257 0.169 0.917 0.333 CB 1.267 13 residues pruned to eliminate duplicates Z: 14 7.399 2.160 0.189 0.204 0.692 0.231 CB 1.640 14 residues pruned to eliminate duplicates Z: 33 23.687 2.048 0.520 0.544 0.844 0.594 CB 1.528 33 residues pruned to eliminate duplicates Z: 46 26.200 2.179 0.571 0.414 0.844 0.578 CB 1.478 46 residues pruned to eliminate duplicates Z: 26 21.829 2.118 0.462 0.546 0.880 0.560 CB 1.531 26 residues pruned to eliminate duplicates Z: 49 26.402 2.089 0.522 0.398 0.875 0.479 CB 1.524 34 residues pruned to eliminate duplicates Z: 6 2.600 1.593 0.307 0.264 0.800 0.400 CB 0.913 6 residues pruned to eliminate duplicates Z: 46 29.542 2.148 0.711 0.424 0.844 0.511 CB 1.536 41 residues pruned to eliminate duplicates Z: 7 3.660 1.775 0.729 0.168 0.833 0.167 CA 0.874 7 residues pruned to eliminate duplicates Z: 32 19.804 2.126 0.620 0.372 0.871 0.516 CB 1.360 32 residues pruned to eliminate duplicates Z: 26 21.218 2.201 0.599 0.488 0.960 0.720 CB 1.271 26 residues pruned to eliminate duplicates Z: 28 18.483 2.137 0.709 0.423 0.852 0.556 CB 1.239 28 residues pruned to eliminate duplicates Z: 54 33.089 2.147 0.770 0.456 0.887 0.679 CB 1.411 54 residues pruned to eliminate duplicates Z: 45 36.956 2.182 0.665 0.564 0.932 0.682 CB 1.547 60 residues pruned to eliminate duplicates Z: 7 4.546 1.596 0.326 0.381 0.833 0.500 CB 1.195 7 residues pruned to eliminate duplicates Z: 19 15.095 2.192 0.504 0.264 0.944 0.444 CA 1.496 19 residues pruned to eliminate duplicates Z: 27 18.833 2.155 0.679 0.436 0.808 0.615 CB 1.350 35 residues pruned to eliminate duplicates Z: 29 22.557 2.157 0.773 0.417 0.857 0.607 CB 1.419 29 residues pruned to eliminate duplicates Z: 18 11.465 2.085 0.547 0.297 0.706 0.588 CA 1.533 18 residues pruned to eliminate duplicates Z: 29 20.214 2.106 0.714 0.412 0.893 0.500 CB 1.299 20 residues pruned to eliminate duplicates Z: 9 3.981 1.420 0.486 0.511 0.625 0.250 C 1.056 Z: 6 5.215 1.581 0.422 0.405 1.000 0.800 CA 1.146 Z: 15 14.523 1.991 0.780 0.446 0.857 0.571 CA 1.351 15 residues pruned to eliminate duplicates Z: 22 15.307 1.963 0.469 0.430 0.905 0.667 CA 1.377 22 residues pruned to eliminate duplicates Z: 22 18.480 2.119 0.268 0.602 0.857 0.667 CB 1.589 22 residues pruned to eliminate duplicates Z: 25 23.578 2.094 0.504 0.582 0.917 0.625 CA 1.540 25 residues pruned to eliminate duplicates Z: 29 26.623 2.054 0.545 0.616 0.964 0.750 CB 1.473 29 residues pruned to eliminate duplicates Z: 31 23.484 2.024 0.403 0.611 0.933 0.733 CB 1.456 31 residues pruned to eliminate duplicates Z: 52 29.438 2.097 0.484 0.479 0.922 0.549 CB 1.469 64 residues pruned to eliminate duplicates Z: 15 21.010 2.129 0.516 0.820 0.929 0.643 CA 1.419 15 residues pruned to eliminate duplicates Z: 31 22.360 2.038 0.393 0.597 0.867 0.567 CB 1.513 31 residues pruned to eliminate duplicates Z: 26 25.794 2.118 0.452 0.696 0.920 0.760 CB 1.524 26 residues pruned to eliminate duplicates Z: 26 20.611 2.071 0.356 0.553 0.880 0.640 CB 1.585 26 residues pruned to eliminate duplicates Z: 50 24.772 2.136 0.535 0.392 0.837 0.449 CB 1.446 50 residues pruned to eliminate duplicates Z: 26 29.453 2.098 0.641 0.704 0.960 0.760 CB 1.480 26 residues pruned to eliminate duplicates Z: 29 25.561 2.073 0.553 0.591 0.857 0.643 CB 1.605 29 residues pruned to eliminate duplicates Z: 40 29.932 2.163 0.516 0.525 0.923 0.590 CB 1.544 40 residues pruned to eliminate duplicates Z: 26 17.310 2.191 0.600 0.395 0.880 0.600 CB 1.255 26 residues pruned to eliminate duplicates Z: 24 17.390 2.082 0.519 0.421 0.870 0.391 CB 1.432 24 residues pruned to eliminate duplicates Z: 27 22.200 2.172 0.714 0.462 0.923 0.615 CB 1.317 27 residues pruned to eliminate duplicates Z: 58 31.952 2.112 0.586 0.438 0.895 0.509 CB 1.505 58 residues pruned to eliminate duplicates Z: 32 20.555 2.117 0.676 0.380 0.871 0.452 CB 1.357 32 residues pruned to eliminate duplicates Z: 27 21.906 2.167 0.759 0.414 0.923 0.462 CB 1.337 27 residues pruned to eliminate duplicates Z: 25 14.345 1.962 0.752 0.354 0.875 0.583 CB 1.140 23 residues pruned to eliminate duplicates Z: 9 8.971 1.899 0.888 0.487 0.875 0.625 CB 1.024 9 residues pruned to eliminate duplicates Z: 24 17.446 2.024 0.794 0.360 0.870 0.522 CB 1.339 23 residues pruned to eliminate duplicates Z: 21 13.920 2.034 0.656 0.325 0.900 0.450 CB 1.244 21 residues pruned to eliminate duplicates Z: 24 13.242 1.944 0.771 0.307 0.826 0.478 CB 1.203 24 residues pruned to eliminate duplicates Z: 26 14.372 1.951 0.682 0.357 0.880 0.520 CB 1.162 26 residues pruned to eliminate duplicates Z: 29 14.565 1.997 0.731 0.293 0.786 0.393 CB 1.278 39 residues pruned to eliminate duplicates Z: 24 16.057 1.994 0.762 0.361 0.870 0.609 CB 1.272 25 residues pruned to eliminate duplicates 6 1.299 1.599 0.748 0.421 1.000 0.800 CA 0.225 ? Z: 6 3.545 1.548 0.848 0.355 1.000 0.600 CA 0.648 6 residues pruned to eliminate duplicates Z: 20 12.431 1.940 0.826 0.401 0.737 0.421 CB 1.212 20 residues pruned to eliminate duplicates Z: 13 14.089 1.975 0.747 0.490 0.833 0.500 CA 1.428 13 residues pruned to eliminate duplicates Z: 26 14.930 2.003 0.750 0.346 0.760 0.480 CB 1.325 25 residues pruned to eliminate duplicates Z: 21 16.037 2.043 0.926 0.357 0.850 0.500 CB 1.251 21 residues pruned to eliminate duplicates Z: 13 16.110 1.998 0.863 0.493 0.917 0.583 CB 1.373 13 residues pruned to eliminate duplicates Z: 23 16.698 1.964 0.970 0.353 0.818 0.500 CB 1.318 23 residues pruned to eliminate duplicates Z: 63 36.638 2.186 0.517 0.518 0.919 0.532 CB 1.498 65 residues pruned to eliminate duplicates Z: 55 37.897 2.205 0.616 0.508 0.907 0.630 CB 1.582 26 residues pruned to eliminate duplicates Z: 35 34.264 2.109 0.631 0.696 0.941 0.647 CA 1.518 35 residues pruned to eliminate duplicates Z: 49 36.383 2.204 0.700 0.492 0.896 0.542 CB 1.577 53 residues pruned to eliminate duplicates Z: 41 38.950 2.226 0.615 0.632 0.925 0.575 CB 1.635 41 residues pruned to eliminate duplicates Z: 62 39.872 2.160 0.645 0.569 0.951 0.656 CB 1.413 62 residues pruned to eliminate duplicates Z: 33 38.066 2.170 0.600 0.714 0.969 0.562 CA 1.648 33 residues pruned to eliminate duplicates Z: 53 39.324 2.176 0.693 0.539 0.904 0.500 CB 1.577 53 residues pruned to eliminate duplicates Z: 33 34.925 2.164 0.520 0.711 0.969 0.594 CB 1.600 33 residues pruned to eliminate duplicates Z: 23 38.715 2.303 0.715 0.807 0.955 0.409 CB 1.675 23 residues pruned to eliminate duplicates Z: 63 46.926 2.202 0.780 0.590 0.903 0.516 CB 1.545 51 residues pruned to eliminate duplicates Z: 37 40.580 2.186 0.688 0.680 0.944 0.583 CA 1.645 37 residues pruned to eliminate duplicates Z: 30 36.365 2.171 0.765 0.649 0.931 0.552 CB 1.647 30 residues pruned to eliminate duplicates Z: 56 44.094 2.233 0.756 0.532 0.927 0.436 CB 1.584 56 residues pruned to eliminate duplicates Z: 33 37.784 2.141 0.661 0.719 0.969 0.500 CA 1.590 33 residues pruned to eliminate duplicates Z: 58 44.370 2.169 0.819 0.519 0.930 0.579 CB 1.572 58 residues pruned to eliminate duplicates Z: 60 41.340 2.175 0.744 0.575 0.898 0.441 CB 1.469 60 residues pruned to eliminate duplicates Z: 31 40.359 2.199 0.737 0.714 0.967 0.500 CB 1.644 31 residues pruned to eliminate duplicates Z: 59 51.977 2.253 0.852 0.581 0.966 0.483 CB 1.567 59 residues pruned to eliminate duplicates Z: 34 35.735 2.156 0.630 0.690 0.909 0.485 CA 1.637 34 residues pruned to eliminate duplicates Z: 34 41.454 2.198 0.803 0.704 0.939 0.485 CB 1.611 34 residues pruned to eliminate duplicates Z: 57 39.091 2.117 0.782 0.505 0.911 0.482 CB 1.513 57 residues pruned to eliminate duplicates Z: 63 43.691 2.174 0.750 0.591 0.887 0.613 CB 1.507 63 residues pruned to eliminate duplicates Z: 64 41.278 2.172 0.531 0.570 0.952 0.587 CB 1.535 64 residues pruned to eliminate duplicates Z: 47 38.298 2.105 0.679 0.662 0.913 0.478 CB 1.505 47 residues pruned to eliminate duplicates Z: 35 25.169 2.149 0.630 0.464 0.912 0.559 CB 1.402 35 residues pruned to eliminate duplicates Z: 15 10.687 1.923 0.332 0.629 0.786 0.571 CB 1.257 Z: 9 18.591 2.217 0.425 0.855 1.000 0.625 CB 1.535 12 residues pruned to eliminate duplicates Z: 17 11.674 1.766 0.483 0.545 0.812 0.375 CB 1.312 15 residues pruned to eliminate duplicates Z: 64 45.051 2.217 0.614 0.601 0.937 0.619 CB 1.538 64 residues pruned to eliminate duplicates Z: 13 12.575 2.094 0.012 0.786 0.917 0.667 CB 1.453 Z: 48 36.063 2.072 0.599 0.672 0.936 0.362 CB 1.447 48 residues pruned to eliminate duplicates Z: 17 14.623 1.876 0.723 0.608 0.812 0.438 CB 1.256 Z: 10 16.640 2.055 0.682 0.811 1.000 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 17 8.529 1.934 0.452 0.488 0.688 0.312 CB 1.118 Z: 39 25.317 2.125 0.742 0.429 0.816 0.395 CB 1.464 39 residues pruned to eliminate duplicates Z: 63 33.390 2.084 0.764 0.521 0.790 0.323 CB 1.430 63 residues pruned to eliminate duplicates Z: 61 42.157 2.206 0.676 0.571 0.883 0.550 CB 1.556 61 residues pruned to eliminate duplicates Z: 30 22.563 2.114 0.742 0.388 0.828 0.414 CA 1.549 30 residues pruned to eliminate duplicates Z: 60 34.929 2.101 0.717 0.499 0.881 0.407 CB 1.432 60 residues pruned to eliminate duplicates Z: 26 20.273 2.234 0.813 0.327 0.800 0.400 CB 1.512 26 residues pruned to eliminate duplicates Z: 63 42.144 2.175 0.644 0.577 0.935 0.629 CB 1.485 92 residues pruned to eliminate duplicates Z: 7 7.994 1.928 0.270 0.470 1.000 0.500 CA 1.374 Z: 47 39.824 2.238 0.645 0.523 0.978 0.565 CA 1.593 47 residues pruned to eliminate duplicates Z: 26 20.865 2.173 0.665 0.350 0.920 0.520 CB 1.474 26 residues pruned to eliminate duplicates Z: 64 49.501 2.208 0.673 0.619 0.968 0.556 CB 1.558 71 residues pruned to eliminate duplicates Z: 6 2.383 1.482 0.825 0.262 0.800 0.400 C 0.646 6 residues pruned to eliminate duplicates Z: 44 38.674 2.222 0.626 0.585 0.953 0.628 CB 1.578 44 residues pruned to eliminate duplicates Z: 62 38.338 2.212 0.482 0.547 0.967 0.557 CB 1.478 62 residues pruned to eliminate duplicates Z: 64 50.463 2.214 0.639 0.590 0.968 0.603 CB 1.660 64 residues pruned to eliminate duplicates Z: 63 45.232 2.217 0.622 0.586 0.903 0.661 CB 1.628 63 residues pruned to eliminate duplicates Z: 36 19.479 2.073 0.719 0.300 0.771 0.457 CA 1.498 36 residues pruned to eliminate duplicates Z: 51 36.547 2.177 0.640 0.501 0.900 0.580 CB 1.607 51 residues pruned to eliminate duplicates Z: 64 48.008 2.194 0.655 0.619 0.968 0.587 CB 1.538 64 residues pruned to eliminate duplicates Z: 39 26.906 2.105 0.534 0.456 0.947 0.553 CB 1.493 39 residues pruned to eliminate duplicates Z: 64 41.906 2.174 0.673 0.581 0.873 0.587 CB 1.539 64 residues pruned to eliminate duplicates Z: 63 47.395 2.216 0.639 0.601 0.968 0.629 CB 1.554 63 residues pruned to eliminate duplicates Z: 7 11.476 1.985 0.205 0.701 1.000 0.500 CA 1.631 7 residues pruned to eliminate duplicates Z: 16 11.499 1.884 0.636 0.473 0.733 0.467 CB 1.350 13 residues pruned to eliminate duplicates Z: 11 6.768 1.561 0.312 0.661 0.700 0.400 CA 1.286 11 residues pruned to eliminate duplicates Z: 15 9.114 1.938 0.493 0.487 0.643 0.286 CB 1.326 15 residues pruned to eliminate duplicates Z: 47 30.024 2.092 0.567 0.510 0.870 0.543 CA 1.538 47 residues pruned to eliminate duplicates Z: 22 15.599 2.012 0.603 0.696 0.714 0.476 CB 1.236 22 residues pruned to eliminate duplicates Z: 28 28.877 2.107 0.590 0.711 0.889 0.630 CB 1.541 28 residues pruned to eliminate duplicates Z: 28 27.482 2.156 0.500 0.679 0.889 0.667 CB 1.560 28 residues pruned to eliminate duplicates Z: 19 21.872 2.097 0.880 0.777 0.833 0.667 CB 1.229 19 residues pruned to eliminate duplicates Z: 19 18.763 2.063 0.751 0.809 0.778 0.556 CB 1.202 19 residues pruned to eliminate duplicates Z: 40 31.780 2.118 0.742 0.540 0.846 0.538 CA 1.568 40 residues pruned to eliminate duplicates Z: 30 26.321 2.080 0.646 0.659 0.862 0.517 CB 1.428 30 residues pruned to eliminate duplicates Z: 45 33.572 2.142 0.640 0.567 0.864 0.477 CB 1.563 45 residues pruned to eliminate duplicates Z: 62 33.215 2.070 0.586 0.612 0.803 0.525 CB 1.450 50 residues pruned to eliminate duplicates Z: 11 13.319 1.643 0.590 0.804 0.900 0.400 C 1.375 11 residues pruned to eliminate duplicates Z: 51 34.256 2.031 0.696 0.667 0.900 0.640 CB 1.338 50 residues pruned to eliminate duplicates Z: 16 12.483 1.781 0.559 0.728 0.800 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 63 38.389 2.034 0.752 0.580 0.903 0.565 CA 1.403 63 residues pruned to eliminate duplicates Z: 16 9.606 1.764 0.139 0.718 0.933 0.800 CA 1.086 16 residues pruned to eliminate duplicates Z: 64 41.012 2.037 0.740 0.595 0.952 0.619 CB 1.398 50 residues pruned to eliminate duplicates Z: 10 10.281 1.886 0.299 0.870 1.000 0.889 CA 1.021 10 residues pruned to eliminate duplicates Z: 9 4.313 1.738 0.116 0.406 0.875 0.375 CB 0.992 9 residues pruned to eliminate duplicates Z: 54 33.131 2.049 0.678 0.610 0.868 0.547 CB 1.373 54 residues pruned to eliminate duplicates Z: 62 36.430 2.035 0.689 0.586 0.902 0.541 CB 1.386 62 residues pruned to eliminate duplicates Z: 16 13.260 1.834 0.565 0.606 0.933 0.333 CA 1.155 16 residues pruned to eliminate duplicates Z: 12 13.071 1.807 0.559 0.705 1.000 0.545 CA 1.162 12 residues pruned to eliminate duplicates Z: 19 13.136 1.799 0.563 0.676 0.889 0.444 CA 1.054 19 residues pruned to eliminate duplicates Z: 62 41.168 2.075 0.754 0.613 0.885 0.541 CB 1.470 25 residues pruned to eliminate duplicates Z: 11 10.234 1.876 0.528 0.746 0.800 0.400 CB 1.133 11 residues pruned to eliminate duplicates Z: 32 26.797 2.018 0.920 0.519 0.903 0.452 CB 1.350 32 residues pruned to eliminate duplicates Z: 64 33.227 1.998 0.635 0.605 0.857 0.476 CB 1.354 64 residues pruned to eliminate duplicates Z: 35 25.608 2.040 0.771 0.509 0.912 0.412 CA 1.322 35 residues pruned to eliminate duplicates Z: 61 35.752 2.001 0.595 0.595 0.917 0.667 CA 1.441 61 residues pruned to eliminate duplicates Z: 66 37.895 2.022 0.658 0.599 0.877 0.569 CB 1.455 66 residues pruned to eliminate duplicates Z: 13 7.565 1.828 0.602 0.251 0.750 0.250 CA 1.324 13 residues pruned to eliminate duplicates Z: 47 28.769 2.067 0.583 0.535 0.891 0.609 CA 1.406 20 residues pruned to eliminate duplicates Z: 59 37.288 2.064 0.644 0.604 0.879 0.569 CB 1.485 59 residues pruned to eliminate duplicates Z: 13 6.236 1.857 0.641 0.205 0.750 0.333 CA 1.118 13 residues pruned to eliminate duplicates Z: 63 34.846 2.020 0.679 0.572 0.903 0.500 CB 1.348 63 residues pruned to eliminate duplicates Z: 61 30.531 1.983 0.551 0.499 0.933 0.617 CA 1.374 61 residues pruned to eliminate duplicates Z: 15 13.999 2.102 0.729 0.403 0.786 0.429 CA 1.451 15 residues pruned to eliminate duplicates Z: 19 17.779 2.148 0.618 0.414 0.889 0.611 CA 1.484 19 residues pruned to eliminate duplicates Z: 37 25.040 2.069 0.576 0.440 0.889 0.639 CA 1.532 37 residues pruned to eliminate duplicates Z: 42 33.783 2.136 0.688 0.572 0.878 0.683 CA 1.554 41 residues pruned to eliminate duplicates Z: 6 4.594 1.659 1.133 0.295 0.800 0.400 CA 0.913 6 residues pruned to eliminate duplicates Z: 34 37.261 2.182 0.532 0.717 0.970 0.848 CA 1.643 34 residues pruned to eliminate duplicates Z: 14 14.153 2.124 0.768 0.404 0.846 0.462 CA 1.367 14 residues pruned to eliminate duplicates Z: 41 33.148 2.148 0.487 0.607 0.900 0.700 CA 1.647 41 residues pruned to eliminate duplicates Z: 63 39.538 2.082 0.631 0.565 0.919 0.597 CA 1.510 65 residues pruned to eliminate duplicates Z: 6 2.812 1.592 0.380 0.559 0.600 0.000 CA 0.901 6 residues pruned to eliminate duplicates Z: 59 33.923 2.046 0.673 0.563 0.862 0.603 CA 1.420 59 residues pruned to eliminate duplicates Z: 35 20.253 2.089 0.650 0.366 0.765 0.529 CA 1.521 35 residues pruned to eliminate duplicates Z: 40 28.140 2.113 0.415 0.632 0.872 0.744 CA 1.527 40 residues pruned to eliminate duplicates Z: 28 30.230 2.079 0.526 0.707 0.926 0.852 CB 1.641 28 residues pruned to eliminate duplicates Z: 63 35.707 2.025 0.619 0.562 0.903 0.629 CA 1.442 63 residues pruned to eliminate duplicates Z: 53 35.313 2.116 0.589 0.590 0.904 0.712 CA 1.478 53 residues pruned to eliminate duplicates Z: 40 33.790 2.141 0.679 0.564 0.897 0.744 CA 1.577 40 residues pruned to eliminate duplicates Z: 17 8.757 1.822 0.534 0.314 0.938 0.625 CB 1.027 17 residues pruned to eliminate duplicates Z: 29 29.150 2.042 0.446 0.690 1.000 0.750 CA 1.568 29 residues pruned to eliminate duplicates Z: 30 29.722 2.057 0.566 0.655 0.931 0.793 CB 1.592 30 residues pruned to eliminate duplicates Z: 32 24.780 2.035 0.430 0.629 0.903 0.677 CB 1.499 32 residues pruned to eliminate duplicates Z: 57 36.815 2.091 0.704 0.585 0.875 0.643 CA 1.454 57 residues pruned to eliminate duplicates Z: 16 17.510 1.933 0.764 0.533 0.867 0.733 CB 1.481 16 residues pruned to eliminate duplicates Z: 6 6.250 1.771 0.449 0.376 1.000 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 13 12.312 1.879 0.337 0.571 0.833 0.583 CA 1.585 13 residues pruned to eliminate duplicates Z: 17 12.929 1.902 0.589 0.478 0.812 0.625 CB 1.345 17 residues pruned to eliminate duplicates Z: 11 15.687 1.956 0.374 0.638 1.000 0.800 CA 1.621 11 residues pruned to eliminate duplicates Z: 16 14.061 1.937 0.616 0.464 0.867 0.600 CB 1.388 16 residues pruned to eliminate duplicates Z: 14 12.189 1.961 0.347 0.536 0.846 0.692 CB 1.460 14 residues pruned to eliminate duplicates Z: 17 14.003 1.777 0.741 0.460 0.812 0.562 CA 1.449 17 residues pruned to eliminate duplicates Z: 17 15.198 1.944 0.635 0.486 0.812 0.688 CB 1.493 17 residues pruned to eliminate duplicates Z: 18 13.136 1.943 0.553 0.457 0.765 0.706 CA 1.442 18 residues pruned to eliminate duplicates Z: 18 13.812 1.877 0.646 0.443 0.882 0.647 CA 1.304 18 residues pruned to eliminate duplicates Z: 16 6.497 1.825 0.505 0.388 0.733 0.400 CB 0.937 16 residues pruned to eliminate duplicates Z: 20 11.078 1.719 0.424 0.431 0.947 0.474 CB 1.177 20 residues pruned to eliminate duplicates Z: 28 15.206 1.905 0.457 0.455 0.815 0.556 CB 1.355 28 residues pruned to eliminate duplicates Z: 26 13.083 1.894 0.536 0.381 0.880 0.520 CB 1.161 26 residues pruned to eliminate duplicates Z: 13 9.156 1.850 0.499 0.438 0.833 0.583 CB 1.219 13 residues pruned to eliminate duplicates Z: 12 4.587 1.848 0.298 0.376 0.545 0.545 CB 1.207 12 residues pruned to eliminate duplicates Z: 28 13.450 1.886 0.449 0.431 0.815 0.519 CB 1.248 28 residues pruned to eliminate duplicates Z: 14 7.606 1.869 0.412 0.425 0.846 0.538 CB 1.022 14 residues pruned to eliminate duplicates Z: 16 7.535 1.855 0.292 0.398 0.800 0.467 CB 1.130 16 residues pruned to eliminate duplicates Z: 35 13.777 1.965 0.325 0.361 0.794 0.441 CB 1.328 35 residues pruned to eliminate duplicates Z: 14 7.156 1.848 0.610 0.419 0.769 0.615 CB 0.943 14 residues pruned to eliminate duplicates Z: 9 7.183 1.939 0.164 0.550 0.875 0.625 CB 1.225 9 residues pruned to eliminate duplicates Z: 30 13.721 1.992 0.282 0.388 0.793 0.483 CB 1.417 30 residues pruned to eliminate duplicates Z: 17 6.559 1.835 0.315 0.363 0.750 0.500 CA 1.049 17 residues pruned to eliminate duplicates Z: 39 14.402 1.922 0.321 0.349 0.842 0.474 CB 1.287 39 residues pruned to eliminate duplicates Z: 32 12.539 1.952 0.264 0.364 0.839 0.613 CB 1.260 32 residues pruned to eliminate duplicates Z: 30 16.009 2.014 0.272 0.443 0.931 0.586 CB 1.322 30 residues pruned to eliminate duplicates Z: 49 18.229 1.930 0.360 0.400 0.812 0.542 CB 1.370 49 residues pruned to eliminate duplicates Z: 37 15.611 1.898 0.475 0.378 0.833 0.556 CA 1.269 37 residues pruned to eliminate duplicates Z: 26 14.266 2.043 0.212 0.375 0.880 0.560 CB 1.496 26 residues pruned to eliminate duplicates Z: 32 16.498 1.941 0.386 0.378 0.935 0.516 CB 1.341 32 residues pruned to eliminate duplicates Z: 29 16.105 2.040 0.320 0.408 0.929 0.571 CB 1.340 29 residues pruned to eliminate duplicates Z: 37 15.373 1.956 0.356 0.351 0.833 0.528 CA 1.363 37 residues pruned to eliminate duplicates Z: 28 14.128 2.012 0.295 0.384 0.815 0.481 CB 1.449 28 residues pruned to eliminate duplicates Z: 26 11.409 1.905 0.380 0.319 0.800 0.440 CB 1.325 26 residues pruned to eliminate duplicates Z: 20 10.109 1.967 0.493 0.333 0.789 0.421 CB 1.201 20 residues pruned to eliminate duplicates Z: 27 12.553 1.911 0.369 0.344 0.808 0.500 CA 1.380 27 residues pruned to eliminate duplicates Z: 30 16.127 1.992 0.384 0.397 0.897 0.621 CB 1.352 30 residues pruned to eliminate duplicates Z: 24 11.396 2.017 0.246 0.319 0.783 0.391 CB 1.475 24 residues pruned to eliminate duplicates Z: 32 13.514 1.924 0.343 0.372 0.839 0.419 CB 1.284 32 residues pruned to eliminate duplicates Z: 17 10.737 2.000 0.446 0.388 0.875 0.438 CB 1.194 17 residues pruned to eliminate duplicates Z: 21 13.415 1.972 0.309 0.421 0.950 0.500 CA 1.328 21 residues pruned to eliminate duplicates Z: 22 13.756 2.059 0.361 0.391 0.810 0.476 CA 1.485 22 residues pruned to eliminate duplicates Z: 29 14.086 2.001 0.357 0.400 0.821 0.571 CB 1.327 29 residues pruned to eliminate duplicates Z: 25 13.686 1.972 0.442 0.349 0.833 0.375 CB 1.389 25 residues pruned to eliminate duplicates 596 residues left after pruning, divided into chains as follows: A: 12 B: 9 C: 6 D: 6 E: 6 F: 43 G: 7 H: 6 I: 7 J: 11 K: 22 L: 64 M: 59 N: 32 O: 46 P: 29 Q: 63 R: 7 S: 62 T: 99 CC for partial structure against native data = 21.61 % ------------------------------------------------------------------------------ Global autotracing cycle 21 = 0.300, Contrast = 0.399, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.461, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.536, Connect. = 0.740 for dens.mod. cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.552, Connect. = 0.749 for dens.mod. cycle 5 = 0.300, Contrast = 0.556, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.561, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.563, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.566, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.567, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6754 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1280 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 28 18.422 2.112 0.604 0.427 0.852 0.593 CA 1.326 B: 21 37.922 2.264 0.624 0.911 1.000 0.850 CB 1.635 C: 23 29.237 2.120 0.485 0.892 0.955 0.818 CB 1.490 23 residues pruned to eliminate duplicates D: 17 14.029 2.110 0.565 0.268 0.938 0.312 CB 1.476 17 residues pruned to eliminate duplicates E: 21 32.613 2.293 0.493 0.891 0.950 0.850 CB 1.612 21 residues pruned to eliminate duplicates F: 8 10.190 1.789 0.239 0.854 1.000 0.714 CB 1.282 G: 21 39.048 2.333 0.643 0.905 1.000 0.700 CB 1.621 21 residues pruned to eliminate duplicates H: 13 8.561 1.711 0.506 0.499 0.750 0.583 CB 1.280 I: 19 16.442 2.023 0.375 0.861 0.889 0.778 CB 1.152 J: 21 26.193 2.113 0.361 0.878 1.000 0.750 CB 1.478 21 residues pruned to eliminate duplicates K: 19 29.756 2.286 0.334 0.916 1.000 0.889 CB 1.624 19 residues pruned to eliminate duplicates L: 14 12.296 2.153 0.068 0.852 0.923 0.538 CB 1.188 14 residues pruned to eliminate duplicates M: 27 19.134 2.076 0.731 0.412 0.923 0.500 CB 1.241 N: 15 14.652 2.081 0.285 0.883 0.929 0.786 CB 1.141 15 residues pruned to eliminate duplicates O: 10 15.652 2.190 0.176 0.894 0.889 0.778 CB 1.635 2 residues pruned to eliminate duplicates P: 15 12.972 1.848 0.548 0.503 0.857 0.500 CA 1.409 Q: 16 17.094 1.827 0.554 0.662 0.867 0.333 CB 1.545 8 residues pruned to eliminate duplicates R: 22 38.659 2.200 0.887 0.901 0.952 0.571 CB 1.522 21 residues pruned to eliminate duplicates S: 17 10.447 1.727 0.433 0.513 0.875 0.562 CB 1.191 15 residues pruned to eliminate duplicates T: 14 15.879 1.903 0.318 0.921 1.000 1.000 CB 1.235 13 residues pruned to eliminate duplicates U: 22 30.975 2.125 0.485 0.860 1.000 0.857 CB 1.574 22 residues pruned to eliminate duplicates V: 16 8.730 2.164 -0.086 0.427 0.733 0.533 CA 1.675 W: 16 9.958 2.102 -0.056 0.398 0.867 0.467 CB 1.665 17 residues pruned to eliminate duplicates X: 12 6.762 1.978 0.277 0.358 0.636 0.455 CB 1.479 12 residues pruned to eliminate duplicates Y: 67 40.147 2.087 0.679 0.547 0.924 0.500 CB 1.456 57 residues pruned to eliminate duplicates Z: 15 14.671 1.968 0.192 0.818 1.000 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 21 36.325 2.242 0.610 0.889 1.000 0.800 CB 1.620 21 residues pruned to eliminate duplicates Z: 7 6.420 1.632 0.177 0.815 1.000 0.667 N 1.038 Z: 13 14.442 1.918 0.239 0.871 1.000 1.000 CA 1.279 Z: 7 15.839 2.144 0.499 0.793 1.000 1.000 CA 1.556 7 residues pruned to eliminate duplicates Z: 23 11.792 1.961 0.713 0.277 0.727 0.545 CB 1.324 23 residues pruned to eliminate duplicates Z: 10 7.776 1.762 0.303 0.468 0.889 0.556 CA 1.312 Z: 31 17.111 1.953 0.377 0.492 0.900 0.500 CA 1.301 13 residues pruned to eliminate duplicates Z: 63 40.270 2.067 0.690 0.607 0.935 0.452 CB 1.413 Z: 9 9.920 1.696 0.776 0.820 0.750 0.375 CA 1.175 Z: 8 15.145 1.841 0.596 0.897 1.000 1.000 CB 1.394 8 residues pruned to eliminate duplicates Z: 11 7.642 1.827 0.024 0.568 1.000 0.700 CB 1.210 Z: 12 13.089 1.805 0.724 0.750 0.727 0.545 CA 1.396 11 residues pruned to eliminate duplicates Z: 14 16.959 2.102 0.643 0.627 0.846 0.538 CA 1.428 15 residues pruned to eliminate duplicates Z: 19 38.409 2.297 0.751 0.896 1.000 0.556 CB 1.612 19 residues pruned to eliminate duplicates Z: 7 12.554 1.834 0.516 0.747 1.000 0.667 CA 1.479 7 residues pruned to eliminate duplicates Z: 21 34.988 2.265 0.591 0.892 0.950 0.800 CB 1.642 21 residues pruned to eliminate duplicates Z: 14 11.270 2.224 0.162 0.405 0.769 0.538 CB 1.737 15 residues pruned to eliminate duplicates Z: 8 16.070 2.066 0.637 0.786 1.000 0.857 CA 1.396 13 residues pruned to eliminate duplicates Z: 9 12.230 1.792 0.415 0.800 0.875 0.500 CA 1.500 7 residues pruned to eliminate duplicates Z: 23 42.710 2.119 0.988 0.898 0.909 0.455 CB 1.700 23 residues pruned to eliminate duplicates Z: 12 6.100 1.883 0.496 0.285 0.636 0.364 CB 1.307 12 residues pruned to eliminate duplicates Z: 10 5.644 1.896 0.198 0.625 0.889 0.778 CB 0.828 10 residues pruned to eliminate duplicates Z: 22 15.444 1.932 0.756 0.343 0.810 0.429 CA 1.456 7 residues pruned to eliminate duplicates Z: 19 24.416 1.959 0.623 0.874 0.944 0.556 CB 1.395 19 residues pruned to eliminate duplicates Z: 7 9.092 1.913 0.525 0.737 1.000 0.833 CB 1.029 7 residues pruned to eliminate duplicates Z: 54 33.333 2.103 0.505 0.530 0.943 0.679 CA 1.489 20 residues pruned to eliminate duplicates Z: 22 36.104 2.265 0.507 0.884 1.000 0.857 CB 1.668 22 residues pruned to eliminate duplicates Z: 19 22.997 1.913 0.417 0.927 1.000 0.833 CB 1.402 19 residues pruned to eliminate duplicates Z: 52 28.938 2.132 0.637 0.370 0.863 0.490 CA 1.548 45 residues pruned to eliminate duplicates Z: 10 9.942 1.842 0.210 0.808 0.889 0.556 CA 1.279 9 residues pruned to eliminate duplicates Z: 13 14.960 1.893 0.511 0.802 0.833 0.833 CB 1.392 13 residues pruned to eliminate duplicates Z: 61 33.724 2.093 0.534 0.574 0.883 0.583 CA 1.429 61 residues pruned to eliminate duplicates Z: 34 17.736 1.911 0.404 0.396 0.970 0.667 CA 1.325 Z: 9 9.003 1.768 0.328 0.634 0.875 0.750 CB 1.367 10 residues pruned to eliminate duplicates Z: 16 18.789 2.119 0.460 0.882 1.000 0.800 CB 1.135 16 residues pruned to eliminate duplicates Z: 37 30.124 2.046 0.377 0.689 0.972 0.694 CB 1.541 34 residues pruned to eliminate duplicates Z: 19 19.540 2.058 0.189 0.868 0.944 0.833 CB 1.456 19 residues pruned to eliminate duplicates Z: 26 23.038 2.066 0.485 0.658 0.960 0.760 CB 1.351 26 residues pruned to eliminate duplicates Z: 17 10.019 2.035 0.182 0.371 0.812 0.500 CB 1.472 15 residues pruned to eliminate duplicates Z: 9 10.283 1.733 0.351 0.854 0.875 0.500 CB 1.310 10 residues pruned to eliminate duplicates Z: 62 40.374 2.089 0.697 0.575 0.902 0.557 CA 1.505 62 residues pruned to eliminate duplicates Z: 18 13.557 1.891 0.563 0.488 0.765 0.706 CB 1.473 18 residues pruned to eliminate duplicates Z: 20 42.277 2.256 0.901 0.885 0.947 0.526 CB 1.723 20 residues pruned to eliminate duplicates Z: 37 28.341 2.038 0.472 0.597 0.944 0.694 CB 1.521 37 residues pruned to eliminate duplicates Z: 65 38.431 2.068 0.786 0.550 0.875 0.406 CB 1.416 58 residues pruned to eliminate duplicates Z: 30 20.857 2.115 0.535 0.469 0.897 0.483 CB 1.373 37 residues pruned to eliminate duplicates Z: 15 12.160 2.206 0.137 0.405 0.857 0.643 CB 1.670 14 residues pruned to eliminate duplicates Z: 9 12.560 1.990 0.406 0.655 1.000 0.625 CB 1.375 Z: 20 15.798 1.997 0.522 0.477 0.947 0.632 CA 1.288 Z: 6 8.001 1.527 0.512 0.884 1.000 1.000 O 1.120 Z: 22 16.001 1.939 0.482 0.414 0.952 0.524 CA 1.396 22 residues pruned to eliminate duplicates Z: 23 17.101 2.001 0.647 0.517 0.909 0.500 CB 1.197 20 residues pruned to eliminate duplicates Z: 8 9.291 1.973 0.353 0.684 0.857 0.714 CB 1.297 8 residues pruned to eliminate duplicates Z: 24 16.045 2.129 0.647 0.352 0.826 0.609 CB 1.355 24 residues pruned to eliminate duplicates Z: 9 8.089 1.686 0.426 0.641 0.875 0.750 N 1.192 Z: 10 12.482 1.865 0.728 0.573 0.889 0.556 CB 1.353 9 residues pruned to eliminate duplicates Z: 14 12.151 1.973 0.387 0.351 0.923 0.615 CA 1.569 16 residues pruned to eliminate duplicates Z: 20 27.466 2.090 0.522 0.904 1.000 0.684 CB 1.411 20 residues pruned to eliminate duplicates Z: 20 15.422 1.691 0.554 0.575 0.895 0.526 CB 1.399 20 residues pruned to eliminate duplicates Z: 31 17.300 1.825 0.455 0.432 0.933 0.700 CB 1.367 31 residues pruned to eliminate duplicates Z: 12 19.075 1.921 0.539 0.896 1.000 0.909 CA 1.394 12 residues pruned to eliminate duplicates Z: 23 16.586 2.060 0.457 0.392 0.864 0.591 CA 1.530 Z: 17 22.979 1.851 0.733 0.888 0.938 0.750 CB 1.376 17 residues pruned to eliminate duplicates Z: 10 4.072 1.931 0.270 0.482 1.000 0.667 CB 0.564 Z: 23 14.779 1.904 0.428 0.480 0.864 0.636 CB 1.370 23 residues pruned to eliminate duplicates Z: 21 16.564 2.012 0.427 0.401 0.950 0.400 CA 1.507 Z: 24 15.075 2.066 0.622 0.322 0.783 0.522 CB 1.459 24 residues pruned to eliminate duplicates Z: 14 11.467 1.960 0.248 0.376 0.923 0.538 CA 1.608 15 residues pruned to eliminate duplicates Z: 13 11.869 2.086 0.466 0.299 0.917 0.750 CB 1.529 13 residues pruned to eliminate duplicates Z: 19 13.659 2.090 0.560 0.511 0.778 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 10 17.316 1.845 0.600 0.839 1.000 0.778 CA 1.460 10 residues pruned to eliminate duplicates Z: 11 12.246 1.769 0.630 0.817 0.900 0.500 CA 1.133 11 residues pruned to eliminate duplicates Z: 21 17.542 2.254 0.657 0.326 0.850 0.550 CB 1.496 21 residues pruned to eliminate duplicates Z: 53 30.041 1.994 0.681 0.570 0.827 0.442 CA 1.404 56 residues pruned to eliminate duplicates Z: 31 14.494 1.961 0.343 0.432 0.900 0.633 CB 1.198 27 residues pruned to eliminate duplicates Z: 21 14.143 1.948 0.446 0.430 0.800 0.450 CB 1.509 Z: 8 13.348 2.057 0.483 0.750 1.000 0.714 CA 1.323 Z: 22 41.833 2.127 0.963 0.882 0.952 0.571 CB 1.661 22 residues pruned to eliminate duplicates Z: 16 13.209 1.970 0.354 0.347 1.000 0.467 CB 1.510 16 residues pruned to eliminate duplicates Z: 35 32.101 2.146 0.515 0.637 0.971 0.676 CA 1.533 35 residues pruned to eliminate duplicates Z: 21 48.111 2.262 0.980 0.916 1.000 0.450 CB 1.696 21 residues pruned to eliminate duplicates Z: 15 23.648 2.157 0.264 0.948 1.000 1.000 CB 1.602 15 residues pruned to eliminate duplicates Z: 15 12.667 2.137 0.513 0.452 0.786 0.714 CB 1.400 15 residues pruned to eliminate duplicates Z: 15 6.431 1.848 0.029 0.343 0.857 0.500 CA 1.251 Z: 21 31.530 2.145 0.565 0.870 1.000 0.550 CB 1.533 21 residues pruned to eliminate duplicates Z: 18 19.694 1.995 0.187 0.904 1.000 0.765 CB 1.437 18 residues pruned to eliminate duplicates Z: 10 15.252 2.080 0.359 0.867 0.889 0.444 CB 1.480 10 residues pruned to eliminate duplicates Z: 14 11.311 2.055 0.384 0.290 0.923 0.615 CB 1.514 13 residues pruned to eliminate duplicates Z: 10 7.172 1.994 0.134 0.709 0.889 0.778 CB 0.984 10 residues pruned to eliminate duplicates Z: 21 13.565 2.009 0.344 0.439 0.800 0.450 CB 1.496 21 residues pruned to eliminate duplicates Z: 25 12.685 1.858 0.274 0.446 0.875 0.542 CB 1.321 21 residues pruned to eliminate duplicates Z: 12 15.314 1.865 0.634 0.549 1.000 0.818 CA 1.445 Z: 14 16.140 1.934 0.171 0.880 1.000 0.923 N 1.433 14 residues pruned to eliminate duplicates Z: 33 20.073 2.007 0.674 0.520 0.906 0.469 CA 1.143 33 residues pruned to eliminate duplicates Z: 9 4.556 1.745 -0.171 0.480 0.750 0.750 O 1.517 9 residues pruned to eliminate duplicates Z: 19 23.475 2.029 0.605 0.869 0.833 0.556 CB 1.488 19 residues pruned to eliminate duplicates Z: 10 6.605 1.832 0.513 0.338 0.778 0.333 CA 1.219 10 residues pruned to eliminate duplicates Z: 21 44.928 2.257 0.983 0.886 1.000 0.600 CB 1.619 21 residues pruned to eliminate duplicates Z: 6 7.778 1.713 0.548 0.730 1.000 0.800 N 1.066 6 residues pruned to eliminate duplicates Z: 12 17.489 2.001 0.418 0.910 0.909 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 9 7.931 1.705 0.505 0.557 1.000 0.500 CB 1.034 8 residues pruned to eliminate duplicates Z: 28 14.945 1.889 0.410 0.445 0.815 0.556 CB 1.402 28 residues pruned to eliminate duplicates Z: 20 25.455 2.045 0.699 0.933 0.895 0.632 CB 1.311 20 residues pruned to eliminate duplicates Z: 14 18.703 2.197 0.437 0.901 1.000 0.846 CB 1.173 14 residues pruned to eliminate duplicates Z: 27 21.007 1.948 0.342 0.682 0.885 0.577 CB 1.507 27 residues pruned to eliminate duplicates Z: 11 17.134 1.972 0.793 0.848 0.900 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 23 16.918 1.896 0.550 0.342 1.000 0.682 CA 1.458 25 residues pruned to eliminate duplicates Z: 11 8.970 1.927 0.368 0.483 0.900 0.400 CB 1.216 11 residues pruned to eliminate duplicates Z: 14 8.496 1.696 0.397 0.412 0.846 0.615 CB 1.290 14 residues pruned to eliminate duplicates Z: 6 3.758 1.550 0.139 0.515 1.000 0.600 CA 0.938 Z: 17 10.571 1.902 0.666 0.309 0.688 0.375 CB 1.499 17 residues pruned to eliminate duplicates Z: 10 10.263 1.971 0.396 0.539 0.889 0.667 CA 1.346 Z: 8 13.203 2.011 0.503 0.780 0.857 0.857 CA 1.506 9 residues pruned to eliminate duplicates Z: 11 8.863 1.813 0.282 0.563 0.900 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 14 16.427 1.980 0.553 0.704 0.769 0.615 CA 1.600 14 residues pruned to eliminate duplicates Z: 6 9.014 1.784 0.450 0.830 1.000 0.800 CB 1.172 Z: 8 10.454 1.820 0.411 0.677 1.000 0.714 CB 1.307 9 residues pruned to eliminate duplicates Z: 8 12.864 1.878 0.772 0.644 1.000 0.857 CB 1.278 8 residues pruned to eliminate duplicates Z: 50 32.326 2.165 0.604 0.427 0.918 0.633 CB 1.562 50 residues pruned to eliminate duplicates Z: 22 24.264 1.943 0.629 0.924 0.952 0.810 CB 1.234 22 residues pruned to eliminate duplicates Z: 6 6.137 1.515 0.542 0.863 1.000 0.800 CA 0.862 6 residues pruned to eliminate duplicates Z: 21 11.892 1.915 0.396 0.437 0.800 0.350 CB 1.327 Z: 18 20.183 2.215 0.955 0.350 0.941 0.471 CB 1.413 18 residues pruned to eliminate duplicates Z: 35 24.647 2.100 0.493 0.478 0.853 0.500 CA 1.617 35 residues pruned to eliminate duplicates Z: 30 13.354 1.853 0.481 0.360 0.793 0.552 CB 1.325 30 residues pruned to eliminate duplicates Z: 8 6.681 1.816 0.699 0.584 1.000 0.429 CB 0.755 8 residues pruned to eliminate duplicates Z: 14 12.138 2.007 0.515 0.449 0.923 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 80 27.840 2.003 0.389 0.425 0.835 0.570 CA 1.457 80 residues pruned to eliminate duplicates Z: 11 11.087 1.747 0.546 0.711 1.000 0.500 CB 1.072 10 residues pruned to eliminate duplicates Z: 6 4.444 1.951 -0.030 0.624 0.600 0.600 CA 1.557 6 residues pruned to eliminate duplicates Z: 9 12.686 2.006 0.751 0.842 0.750 0.125 CA 1.269 9 residues pruned to eliminate duplicates Z: 31 12.456 1.768 0.360 0.363 0.833 0.500 CA 1.315 37 residues pruned to eliminate duplicates Z: 16 9.925 1.869 0.686 0.414 0.867 0.667 CB 1.026 16 residues pruned to eliminate duplicates Z: 19 24.258 2.107 0.561 0.906 0.889 0.722 CB 1.391 19 residues pruned to eliminate duplicates Z: 6 5.445 1.589 0.458 0.528 0.800 0.600 CA 1.278 Z: 24 9.536 1.892 0.316 0.359 0.696 0.304 CB 1.336 24 residues pruned to eliminate duplicates Z: 9 12.488 1.749 0.572 0.779 0.875 0.625 O 1.436 10 residues pruned to eliminate duplicates 6 1.408 1.469 0.040 0.367 0.600 0.400 CB 0.792 ? Z: 8 5.135 1.733 0.419 0.597 0.714 0.571 CA 1.007 8 residues pruned to eliminate duplicates Z: 12 8.578 2.005 0.258 0.368 0.818 0.636 CB 1.444 7 residues pruned to eliminate duplicates Z: 36 15.756 1.971 0.356 0.373 0.829 0.571 CA 1.377 36 residues pruned to eliminate duplicates Z: 21 38.942 2.245 0.748 0.912 1.000 0.450 CB 1.572 21 residues pruned to eliminate duplicates Z: 25 17.526 2.147 0.798 0.343 0.833 0.500 CB 1.320 25 residues pruned to eliminate duplicates Z: 65 38.429 2.034 0.628 0.560 0.922 0.609 CA 1.485 65 residues pruned to eliminate duplicates Z: 8 15.495 2.002 0.453 0.825 1.000 0.857 CA 1.519 8 residues pruned to eliminate duplicates Z: 6 4.295 1.756 0.076 0.440 0.800 0.800 C 1.352 6 residues pruned to eliminate duplicates Z: 6 8.976 1.867 0.543 0.725 0.800 0.800 CB 1.422 Z: 47 27.970 2.158 0.552 0.416 0.870 0.587 CB 1.547 47 residues pruned to eliminate duplicates Z: 7 11.318 2.077 0.483 0.705 0.833 0.833 CA 1.494 7 residues pruned to eliminate duplicates Z: 10 10.698 1.994 0.208 0.513 0.889 0.556 CB 1.644 10 residues pruned to eliminate duplicates Z: 14 7.045 1.729 0.369 0.518 0.846 0.692 CB 0.958 Z: 24 9.324 1.751 0.706 0.264 0.826 0.522 CB 1.031 22 residues pruned to eliminate duplicates Z: 73 41.565 2.074 0.613 0.560 0.903 0.500 CB 1.530 76 residues pruned to eliminate duplicates Z: 9 9.251 1.819 0.468 0.544 0.875 0.625 CB 1.341 Z: 16 16.969 2.173 0.283 0.883 0.933 0.800 CB 1.218 16 residues pruned to eliminate duplicates Z: 8 11.284 1.839 0.816 0.659 0.714 0.714 CB 1.542 Z: 23 16.986 1.961 0.582 0.531 0.955 0.682 CB 1.186 22 residues pruned to eliminate duplicates Z: 10 11.413 1.999 0.241 0.858 0.889 0.667 CB 1.270 10 residues pruned to eliminate duplicates Z: 12 11.849 1.778 0.401 0.644 1.000 0.818 CA 1.254 12 residues pruned to eliminate duplicates Z: 10 6.733 1.440 0.341 0.444 1.000 0.333 CA 1.230 Z: 31 14.786 1.979 0.262 0.428 0.867 0.667 CA 1.344 31 residues pruned to eliminate duplicates Z: 49 30.792 2.165 0.567 0.447 0.917 0.583 CB 1.509 49 residues pruned to eliminate duplicates Z: 6 4.664 2.136 0.567 0.254 0.800 0.800 CA 1.033 6 residues pruned to eliminate duplicates Z: 9 12.501 1.792 0.467 0.758 0.875 0.750 CB 1.527 11 residues pruned to eliminate duplicates Z: 19 15.633 2.036 0.466 0.512 0.944 0.556 CA 1.291 19 residues pruned to eliminate duplicates Z: 11 10.522 2.047 0.074 0.786 0.900 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 21 12.615 1.889 0.475 0.554 0.900 0.300 CB 1.067 21 residues pruned to eliminate duplicates Z: 20 19.384 1.843 0.435 0.897 0.947 0.737 CA 1.271 20 residues pruned to eliminate duplicates Z: 29 13.165 2.023 0.239 0.388 0.893 0.607 CA 1.251 29 residues pruned to eliminate duplicates Z: 38 26.250 2.036 0.585 0.484 0.838 0.459 CB 1.621 38 residues pruned to eliminate duplicates Z: 9 18.092 1.971 0.583 0.787 1.000 0.500 CA 1.593 9 residues pruned to eliminate duplicates Z: 13 5.896 1.891 0.017 0.401 0.833 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 8 11.338 1.944 0.566 0.664 0.857 0.714 CB 1.411 8 residues pruned to eliminate duplicates Z: 18 26.565 1.959 0.811 0.899 0.941 0.588 CB 1.379 18 residues pruned to eliminate duplicates Z: 14 20.994 2.015 0.811 0.904 0.846 0.462 CB 1.343 14 residues pruned to eliminate duplicates Z: 10 8.649 1.806 0.248 0.803 0.889 0.556 CB 1.104 10 residues pruned to eliminate duplicates Z: 11 16.001 1.936 0.744 0.729 0.900 0.500 CB 1.355 11 residues pruned to eliminate duplicates Z: 12 12.868 1.808 0.563 0.851 0.818 0.545 CB 1.243 12 residues pruned to eliminate duplicates Z: 61 22.794 1.971 0.332 0.412 0.933 0.533 CB 1.316 55 residues pruned to eliminate duplicates Z: 18 20.852 1.941 0.318 0.866 1.000 0.765 CB 1.448 24 residues pruned to eliminate duplicates Z: 12 14.575 1.931 0.385 0.557 1.000 0.636 CA 1.554 12 residues pruned to eliminate duplicates Z: 9 14.309 1.943 0.350 0.906 1.000 1.000 CA 1.373 9 residues pruned to eliminate duplicates Z: 9 10.828 1.850 0.531 0.483 0.875 0.875 CB 1.571 8 residues pruned to eliminate duplicates Z: 8 8.020 1.917 0.063 0.823 0.714 0.286 N 1.575 8 residues pruned to eliminate duplicates Z: 38 21.111 1.921 0.599 0.457 0.784 0.459 CA 1.506 38 residues pruned to eliminate duplicates Z: 6 4.744 1.485 0.654 0.630 0.800 0.800 N 0.955 5 residues pruned to eliminate duplicates Z: 59 25.902 1.958 0.586 0.443 0.862 0.569 CA 1.348 59 residues pruned to eliminate duplicates Z: 20 24.329 2.035 0.473 0.916 0.895 0.579 CB 1.471 20 residues pruned to eliminate duplicates Z: 12 10.383 1.675 0.630 0.920 0.818 0.455 CB 0.987 12 residues pruned to eliminate duplicates Z: 6 12.037 2.124 0.497 0.692 1.000 1.000 CA 1.420 6 residues pruned to eliminate duplicates Z: 6 4.439 1.965 0.330 0.518 0.600 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 24 16.669 1.827 0.454 0.615 0.957 0.652 CB 1.227 24 residues pruned to eliminate duplicates Z: 20 14.397 1.795 0.607 0.590 0.842 0.632 CA 1.247 28 residues pruned to eliminate duplicates Z: 6 3.827 1.655 0.308 0.396 0.600 0.400 C 1.470 Z: 7 10.062 2.003 0.250 0.721 1.000 0.833 CA 1.344 7 residues pruned to eliminate duplicates Z: 12 17.120 2.030 0.507 0.542 1.000 0.818 CA 1.619 12 residues pruned to eliminate duplicates Z: 14 20.067 2.043 0.674 0.601 1.000 0.769 CA 1.478 23 residues pruned to eliminate duplicates Z: 9 12.249 1.953 0.600 0.616 1.000 0.625 CB 1.242 9 residues pruned to eliminate duplicates Z: 6 3.447 1.806 0.021 0.496 0.800 0.600 CB 1.050 5 residues pruned to eliminate duplicates Z: 13 16.041 2.117 1.127 0.506 0.833 0.583 CA 1.226 13 residues pruned to eliminate duplicates Z: 18 10.729 1.877 0.194 0.537 0.824 0.647 CB 1.361 18 residues pruned to eliminate duplicates Z: 8 4.029 1.538 0.304 0.236 0.857 0.429 O 1.203 Z: 8 8.814 1.739 0.272 0.758 0.857 0.714 N 1.397 8 residues pruned to eliminate duplicates Z: 13 11.867 1.906 0.423 0.479 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 10 12.408 1.855 0.476 0.878 0.889 0.667 CA 1.233 10 residues pruned to eliminate duplicates Z: 15 7.684 1.803 0.424 0.366 0.714 0.571 CA 1.293 12 residues pruned to eliminate duplicates Z: 35 18.175 1.946 0.495 0.418 0.794 0.441 CA 1.470 35 residues pruned to eliminate duplicates Z: 16 9.909 1.746 0.385 0.402 0.933 0.733 CA 1.258 13 residues pruned to eliminate duplicates Z: 6 3.566 1.847 -0.090 0.538 1.000 0.600 CB 0.914 Z: 9 5.475 1.468 0.858 0.409 0.875 0.500 CB 0.893 Z: 7 9.083 1.641 0.526 0.779 1.000 0.667 CA 1.158 Z: 14 11.870 1.935 0.142 0.888 0.769 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 9 3.508 1.725 0.205 0.360 0.625 0.375 CB 1.110 9 residues pruned to eliminate duplicates Z: 52 26.516 2.125 0.506 0.417 0.863 0.588 CA 1.466 52 residues pruned to eliminate duplicates Z: 29 13.978 1.800 0.391 0.422 0.857 0.643 CB 1.335 29 residues pruned to eliminate duplicates Z: 21 41.491 2.251 0.958 0.933 0.900 0.500 CB 1.632 21 residues pruned to eliminate duplicates Z: 10 5.743 1.592 0.217 0.549 1.000 0.778 CB 0.942 Z: 15 15.458 1.784 0.417 0.845 0.929 0.357 CA 1.308 15 residues pruned to eliminate duplicates Z: 20 21.246 1.789 0.832 0.890 0.895 0.421 CA 1.196 20 residues pruned to eliminate duplicates Z: 8 3.536 1.742 0.118 0.449 0.857 0.857 CB 0.843 Z: 59 44.253 2.162 0.848 0.641 0.914 0.500 CB 1.395 51 residues pruned to eliminate duplicates Z: 7 5.067 1.557 0.899 0.500 0.833 0.667 CA 0.839 Z: 17 11.268 1.808 0.315 0.397 0.875 0.625 CA 1.509 17 residues pruned to eliminate duplicates Z: 14 14.418 1.901 0.270 0.890 0.846 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 25 15.701 1.871 0.562 0.454 0.833 0.667 CB 1.379 25 residues pruned to eliminate duplicates Z: 12 7.111 2.121 0.029 0.352 0.727 0.545 CB 1.585 12 residues pruned to eliminate duplicates Z: 16 12.437 1.711 0.582 0.526 0.933 0.600 CB 1.239 16 residues pruned to eliminate duplicates Z: 16 5.545 1.443 0.078 0.501 0.867 0.733 CB 1.061 7 residues pruned to eliminate duplicates Z: 21 17.085 2.023 0.605 0.483 0.800 0.450 CA 1.496 21 residues pruned to eliminate duplicates Z: 24 13.392 1.970 0.360 0.362 0.870 0.565 CA 1.390 24 residues pruned to eliminate duplicates Z: 23 13.059 1.846 0.510 0.387 0.818 0.455 CB 1.377 23 residues pruned to eliminate duplicates Z: 8 9.892 1.922 0.640 0.491 0.857 0.857 CA 1.397 8 residues pruned to eliminate duplicates Z: 46 29.018 2.146 0.532 0.431 0.911 0.600 CB 1.551 31 residues pruned to eliminate duplicates Z: 11 14.372 2.320 0.395 0.426 0.900 0.500 CB 1.685 15 residues pruned to eliminate duplicates Z: 7 3.609 1.211 0.440 0.656 0.833 0.667 C 0.877 7 residues pruned to eliminate duplicates Z: 6 4.312 1.509 0.144 0.789 1.000 0.800 CB 0.866 Z: 21 13.250 1.813 0.572 0.464 0.900 0.600 CB 1.197 21 residues pruned to eliminate duplicates Z: 13 8.425 1.916 0.289 0.307 1.000 0.417 CB 1.220 12 residues pruned to eliminate duplicates Z: 6 5.647 1.601 0.521 0.396 1.000 0.800 C 1.158 6 residues pruned to eliminate duplicates Z: 10 5.523 1.429 0.852 0.390 0.889 0.556 CB 0.879 9 residues pruned to eliminate duplicates Z: 11 7.193 1.830 0.304 0.389 0.800 0.600 CA 1.340 11 residues pruned to eliminate duplicates Z: 10 8.972 2.059 -0.021 0.614 0.889 0.667 CA 1.497 10 residues pruned to eliminate duplicates Z: 23 26.270 2.079 0.364 0.875 1.000 0.682 CB 1.437 23 residues pruned to eliminate duplicates Z: 25 13.676 1.993 0.381 0.464 0.917 0.625 CB 1.148 25 residues pruned to eliminate duplicates Z: 20 21.162 2.189 0.786 0.440 0.895 0.368 CB 1.477 20 residues pruned to eliminate duplicates Z: 23 15.763 2.017 0.766 0.334 0.864 0.455 CB 1.309 6 residues pruned to eliminate duplicates Z: 13 13.301 2.094 0.898 0.414 0.917 0.583 CA 1.153 13 residues pruned to eliminate duplicates Z: 9 12.523 1.788 0.736 0.726 0.875 0.875 CA 1.330 9 residues pruned to eliminate duplicates 6 0.996 1.522 -0.070 0.331 0.600 0.400 CB 0.630 ? Z: 8 7.379 1.659 0.373 0.406 1.000 0.857 C 1.351 Z: 18 11.264 2.073 0.171 0.354 0.882 0.412 CB 1.493 12 residues pruned to eliminate duplicates Z: 24 13.932 1.892 0.538 0.553 0.826 0.652 CB 1.148 24 residues pruned to eliminate duplicates Z: 8 6.913 1.730 0.444 0.644 0.857 0.714 CB 1.067 8 residues pruned to eliminate duplicates Z: 22 16.133 2.005 0.382 0.480 1.000 0.524 CB 1.297 22 residues pruned to eliminate duplicates Z: 9 9.847 1.728 0.815 0.483 0.875 0.625 CB 1.291 9 residues pruned to eliminate duplicates Z: 12 5.364 1.640 0.368 0.379 0.818 0.636 CA 1.002 12 residues pruned to eliminate duplicates Z: 17 27.778 2.128 0.657 0.866 0.938 0.750 CB 1.537 17 residues pruned to eliminate duplicates Z: 7 3.460 1.496 0.222 0.483 0.833 0.500 CB 0.943 7 residues pruned to eliminate duplicates Z: 6 8.376 2.034 0.598 0.522 1.000 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 17 13.585 1.951 0.401 0.421 0.938 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 25 15.004 1.900 0.546 0.444 0.833 0.583 CB 1.325 25 residues pruned to eliminate duplicates Z: 16 15.103 1.991 0.488 0.831 0.867 0.467 CB 1.141 16 residues pruned to eliminate duplicates Z: 36 30.769 1.998 0.516 0.625 1.000 0.657 CA 1.527 37 residues pruned to eliminate duplicates Z: 7 6.428 1.826 0.102 0.542 0.833 0.833 C 1.502 Z: 25 11.163 1.779 0.367 0.488 0.875 0.583 CB 1.084 26 residues pruned to eliminate duplicates Z: 18 21.934 2.057 0.286 0.896 0.941 0.588 CB 1.531 18 residues pruned to eliminate duplicates Z: 6 5.488 1.582 0.441 0.641 0.800 0.800 CA 1.180 6 residues pruned to eliminate duplicates 6 1.025 1.227 0.488 0.297 0.400 0.400 CB 0.787 ? Z: 12 10.677 1.760 0.368 0.583 1.000 0.727 CA 1.234 12 residues pruned to eliminate duplicates Z: 25 24.091 2.092 0.400 0.678 0.958 0.833 CB 1.487 26 residues pruned to eliminate duplicates Z: 14 14.031 1.885 0.441 0.821 0.923 0.846 CA 1.175 14 residues pruned to eliminate duplicates Z: 6 4.579 1.681 0.199 0.599 0.800 0.600 CB 1.156 Z: 13 14.597 1.751 0.929 0.846 0.833 0.417 CB 1.112 13 residues pruned to eliminate duplicates Z: 6 4.805 1.368 0.217 0.708 1.000 0.600 C 1.068 9 1.522 1.529 0.434 0.180 0.500 0.375 CB 0.721 ? Z: 9 10.378 1.855 0.559 0.693 0.875 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 30 24.885 2.034 0.417 0.655 0.931 0.793 CB 1.492 30 residues pruned to eliminate duplicates Z: 6 4.290 1.803 -0.038 0.612 0.800 0.600 CA 1.243 6 residues pruned to eliminate duplicates Z: 11 3.843 1.584 0.116 0.324 0.800 0.400 CB 1.043 11 residues pruned to eliminate duplicates Z: 29 11.490 1.810 0.299 0.318 0.821 0.571 CA 1.375 34 residues pruned to eliminate duplicates Z: 9 6.366 1.534 0.102 0.680 1.000 0.500 O 1.128 Z: 9 10.238 1.754 0.824 0.649 1.000 0.625 CB 0.985 9 residues pruned to eliminate duplicates Z: 10 9.960 1.565 0.291 0.845 1.000 0.444 CA 1.223 10 residues pruned to eliminate duplicates Z: 34 30.387 2.112 0.509 0.662 0.909 0.727 CB 1.571 34 residues pruned to eliminate duplicates Z: 6 3.589 1.528 0.431 0.506 0.800 0.600 CA 0.913 Z: 10 10.068 1.963 0.696 0.523 0.778 0.778 CB 1.268 10 residues pruned to eliminate duplicates Z: 7 6.116 1.784 0.312 0.515 0.833 0.333 N 1.261 5 residues pruned to eliminate duplicates Z: 24 16.274 1.979 0.501 0.462 0.957 0.609 CB 1.242 24 residues pruned to eliminate duplicates Z: 11 10.746 1.830 0.936 0.556 0.800 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 9 5.249 1.529 0.166 0.744 1.000 0.500 N 0.837 Z: 7 4.239 1.716 -0.006 0.520 0.833 0.500 CA 1.193 Z: 22 18.609 2.050 0.538 0.538 0.952 0.619 CB 1.303 23 residues pruned to eliminate duplicates Z: 6 3.691 1.516 0.602 0.482 1.000 0.800 CB 0.692 Z: 29 19.254 1.925 0.398 0.637 0.964 0.786 CB 1.234 29 residues pruned to eliminate duplicates Z: 16 14.961 1.835 0.558 0.499 0.933 0.533 CA 1.449 16 residues pruned to eliminate duplicates Z: 8 8.698 1.838 0.173 0.728 0.857 0.286 CA 1.449 8 residues pruned to eliminate duplicates Z: 10 8.210 1.457 0.550 0.804 1.000 0.778 CA 0.929 Z: 49 17.707 1.882 0.298 0.374 0.854 0.583 CA 1.401 49 residues pruned to eliminate duplicates Z: 16 7.728 1.838 0.198 0.457 0.800 0.600 CB 1.184 16 residues pruned to eliminate duplicates Z: 26 11.591 1.827 0.483 0.268 0.840 0.600 CB 1.326 26 residues pruned to eliminate duplicates Z: 18 14.927 2.051 0.353 0.566 0.941 0.588 CB 1.301 18 residues pruned to eliminate duplicates Z: 8 7.587 1.781 0.634 0.449 0.857 0.714 CB 1.212 7 residues pruned to eliminate duplicates Z: 16 18.168 1.697 1.079 0.920 0.867 0.467 CA 1.080 16 residues pruned to eliminate duplicates Z: 22 35.405 2.163 0.657 0.913 1.000 0.619 CB 1.526 22 residues pruned to eliminate duplicates Z: 16 15.988 2.103 0.305 0.487 0.867 0.667 CA 1.759 11 residues pruned to eliminate duplicates Z: 20 26.505 2.070 0.701 0.898 0.947 0.474 CB 1.305 20 residues pruned to eliminate duplicates Z: 11 13.713 1.921 0.248 0.657 1.000 0.900 N 1.563 11 residues pruned to eliminate duplicates Z: 20 26.643 1.971 0.729 0.906 0.947 0.684 CB 1.346 20 residues pruned to eliminate duplicates Z: 9 3.892 1.491 0.274 0.367 0.875 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 12 10.395 2.003 0.283 0.348 1.000 0.364 CB 1.439 12 residues pruned to eliminate duplicates Z: 34 20.278 2.092 0.746 0.443 0.788 0.455 CB 1.300 34 residues pruned to eliminate duplicates Z: 10 5.657 1.888 0.145 0.406 0.889 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 7 6.716 1.623 0.243 0.874 1.000 1.000 CB 0.989 7 residues pruned to eliminate duplicates Z: 8 9.219 1.875 0.624 0.688 1.000 0.857 CB 0.964 8 residues pruned to eliminate duplicates Z: 8 5.852 1.920 0.492 0.347 0.857 0.714 CA 1.064 8 residues pruned to eliminate duplicates Z: 10 15.665 2.017 0.575 0.761 0.889 0.333 CA 1.467 10 residues pruned to eliminate duplicates Z: 18 8.915 1.896 0.292 0.300 0.765 0.353 CA 1.444 18 residues pruned to eliminate duplicates Z: 7 4.883 1.751 -0.053 0.690 0.833 0.667 CB 1.213 Z: 14 10.542 2.006 0.286 0.354 0.846 0.308 CB 1.567 14 residues pruned to eliminate duplicates Z: 17 8.544 1.831 0.301 0.313 0.812 0.250 CA 1.357 17 residues pruned to eliminate duplicates Z: 6 5.092 1.492 0.045 0.701 1.000 0.800 C 1.216 6 residues pruned to eliminate duplicates Z: 11 3.698 1.848 0.168 0.341 0.600 0.400 CB 1.072 11 residues pruned to eliminate duplicates 6 1.629 1.311 0.303 0.320 0.600 0.400 CB 0.867 ? Z: 8 4.332 1.779 0.221 0.276 0.857 0.429 CB 1.133 8 residues pruned to eliminate duplicates Z: 23 19.547 2.180 0.717 0.415 0.864 0.682 CB 1.409 23 residues pruned to eliminate duplicates Z: 9 10.544 1.532 1.068 0.815 0.875 0.750 CB 1.022 10 residues pruned to eliminate duplicates Z: 9 6.831 2.039 0.170 0.429 0.750 0.500 CA 1.454 9 residues pruned to eliminate duplicates Z: 7 3.271 1.359 0.382 0.393 0.833 0.667 CA 0.955 Z: 9 6.627 1.618 0.797 0.380 0.875 0.500 CA 1.046 6 1.538 1.169 -0.014 0.480 0.800 0.600 CB 0.762 ? Z: 40 11.553 1.844 0.288 0.293 0.744 0.385 CB 1.321 37 residues pruned to eliminate duplicates Z: 29 12.143 1.907 0.284 0.318 0.821 0.393 CA 1.395 29 residues pruned to eliminate duplicates Z: 13 16.166 1.852 0.516 0.824 0.917 0.833 CA 1.370 13 residues pruned to eliminate duplicates Z: 9 2.507 1.385 0.169 0.442 0.875 0.500 CB 0.664 Z: 29 19.358 1.968 0.709 0.400 0.857 0.429 CA 1.409 29 residues pruned to eliminate duplicates Z: 8 14.259 1.988 0.460 0.850 1.000 1.000 CA 1.376 8 residues pruned to eliminate duplicates Z: 12 9.294 1.770 0.153 0.835 0.909 0.909 CA 1.132 12 residues pruned to eliminate duplicates Z: 8 2.987 1.535 0.309 0.426 0.714 0.429 CA 0.849 Z: 8 3.639 1.537 0.602 0.259 0.714 0.571 C 1.030 Z: 15 9.018 1.826 0.424 0.410 0.786 0.500 CA 1.295 10 residues pruned to eliminate duplicates Z: 6 3.109 1.399 0.452 0.458 0.800 0.600 CB 0.893 Z: 16 34.453 2.122 1.004 0.851 0.933 0.400 CB 1.659 16 residues pruned to eliminate duplicates Z: 11 4.809 1.653 0.090 0.458 0.700 0.300 CA 1.259 11 residues pruned to eliminate duplicates Z: 6 5.401 1.650 0.283 0.624 1.000 0.600 CB 1.016 6 residues pruned to eliminate duplicates Z: 12 4.379 1.385 0.856 0.205 0.727 0.364 C 1.001 Z: 7 4.498 1.621 -0.119 0.779 0.833 0.833 O 1.207 7 residues pruned to eliminate duplicates Z: 26 21.904 1.867 0.529 0.650 0.920 0.560 CB 1.451 26 residues pruned to eliminate duplicates Z: 9 5.654 1.778 0.045 0.634 1.000 1.000 CB 0.949 8 residues pruned to eliminate duplicates Z: 7 4.420 1.664 0.308 0.372 0.833 0.167 CA 1.140 7 residues pruned to eliminate duplicates Z: 9 5.893 1.280 0.613 0.764 1.000 0.750 CB 0.798 Z: 6 4.848 1.725 -0.081 0.456 1.000 1.000 CB 1.431 5 residues pruned to eliminate duplicates Z: 18 9.438 1.888 0.508 0.372 0.824 0.471 CB 1.119 18 residues pruned to eliminate duplicates Z: 7 5.591 1.520 0.374 0.548 1.000 0.667 C 1.043 Z: 13 2.184 1.330 0.521 0.346 0.583 0.333 CB 0.632 7 residues pruned to eliminate duplicates Z: 15 20.671 2.016 0.588 0.765 1.000 0.857 CA 1.365 24 residues pruned to eliminate duplicates Z: 19 16.465 2.038 0.516 0.363 0.944 0.444 CA 1.542 19 residues pruned to eliminate duplicates Z: 9 9.093 1.968 0.484 0.379 0.750 0.625 CA 1.670 9 residues pruned to eliminate duplicates Z: 6 3.092 1.358 0.986 0.294 0.800 0.400 N 0.807 Z: 7 7.207 1.840 0.795 0.495 0.667 0.500 CA 1.343 7 residues pruned to eliminate duplicates Z: 41 41.273 2.192 0.575 0.692 0.975 0.825 CA 1.627 18 residues pruned to eliminate duplicates Z: 19 13.162 1.970 0.480 0.346 0.944 0.389 CB 1.332 18 residues pruned to eliminate duplicates Z: 10 6.862 2.083 0.390 0.246 0.667 0.444 CB 1.589 10 residues pruned to eliminate duplicates Z: 6 2.717 1.501 0.707 0.746 0.800 0.800 CB 0.475 Z: 21 11.816 1.987 0.479 0.362 0.750 0.500 CA 1.391 21 residues pruned to eliminate duplicates Z: 9 6.654 1.632 0.487 0.626 1.000 0.750 CB 0.861 9 residues pruned to eliminate duplicates Z: 16 11.255 1.984 0.571 0.426 0.733 0.533 CB 1.373 16 residues pruned to eliminate duplicates Z: 27 14.861 1.910 0.287 0.392 0.962 0.615 CB 1.382 27 residues pruned to eliminate duplicates Z: 8 2.861 1.227 0.192 0.383 1.000 0.286 CB 0.838 Z: 22 11.161 1.933 0.253 0.391 0.857 0.476 CA 1.316 22 residues pruned to eliminate duplicates Z: 10 4.259 1.660 0.272 0.224 0.778 0.444 CA 1.194 10 residues pruned to eliminate duplicates 9 1.723 1.475 0.261 0.180 0.750 0.625 CB 0.642 ? Z: 9 6.499 1.749 0.193 0.509 0.875 0.875 N 1.247 Z: 8 5.234 1.536 0.435 0.589 0.857 0.714 CB 0.961 Z: 22 28.548 2.153 0.610 0.834 0.905 0.476 CB 1.489 21 residues pruned to eliminate duplicates Z: 6 4.744 1.374 0.235 0.754 1.000 0.800 N 0.997 Z: 17 10.388 1.773 0.516 0.417 0.875 0.500 CA 1.203 15 residues pruned to eliminate duplicates Z: 8 6.831 1.713 -0.057 0.846 1.000 0.714 CA 1.187 Z: 34 25.432 2.037 0.669 0.494 0.848 0.515 CA 1.544 34 residues pruned to eliminate duplicates Z: 13 8.861 1.801 0.599 0.454 0.833 0.750 CB 1.118 13 residues pruned to eliminate duplicates Z: 6 3.911 1.591 0.566 0.418 0.800 0.600 CA 0.956 6 0.953 1.457 0.188 0.411 0.600 0.600 CA 0.451 ? Z: 11 5.824 1.861 0.553 0.230 0.700 0.300 CA 1.247 11 residues pruned to eliminate duplicates Z: 52 25.573 2.089 0.507 0.451 0.843 0.608 CB 1.419 46 residues pruned to eliminate duplicates Z: 7 9.667 2.013 0.072 0.616 1.000 0.667 C 1.639 7 residues pruned to eliminate duplicates Z: 13 11.418 2.011 0.447 0.484 0.917 0.583 CB 1.255 13 residues pruned to eliminate duplicates Z: 7 6.465 1.772 0.485 0.267 0.833 0.500 N 1.568 7 residues pruned to eliminate duplicates Z: 11 12.009 1.825 0.233 0.637 1.000 0.500 CB 1.484 11 residues pruned to eliminate duplicates Z: 6 2.889 1.344 0.494 0.501 0.800 0.600 CB 0.804 Z: 16 23.613 2.044 0.813 0.907 0.933 0.667 CB 1.252 16 residues pruned to eliminate duplicates Z: 7 4.321 1.457 0.420 0.674 1.000 0.667 CB 0.727 7 residues pruned to eliminate duplicates Z: 8 7.504 2.126 0.701 0.286 0.857 0.429 CB 1.165 8 residues pruned to eliminate duplicates 6 1.152 1.543 0.050 0.148 0.600 0.400 CA 0.818 ? Z: 24 28.726 2.053 0.721 0.648 0.957 0.565 CB 1.544 24 residues pruned to eliminate duplicates Z: 8 3.838 1.474 0.364 0.450 0.857 0.714 CB 0.886 Z: 6 2.924 1.416 0.190 0.464 0.800 0.400 O 1.007 Z: 12 10.880 1.940 0.203 0.524 0.909 0.636 CA 1.510 12 residues pruned to eliminate duplicates Z: 10 7.126 1.933 0.494 0.581 0.778 0.667 CB 0.979 10 residues pruned to eliminate duplicates Z: 6 4.400 1.397 0.288 0.777 1.000 0.600 CA 0.856 Z: 25 9.787 1.750 0.531 0.315 0.792 0.417 CA 1.155 25 residues pruned to eliminate duplicates 6 0.740 1.212 0.542 0.119 0.800 0.200 C 0.358 ? Z: 7 3.356 1.218 0.135 0.644 1.000 0.667 CB 0.866 Z: 28 24.616 2.062 0.253 0.737 0.963 0.778 CB 1.539 28 residues pruned to eliminate duplicates Z: 22 15.285 1.968 0.828 0.218 0.905 0.429 CB 1.428 22 residues pruned to eliminate duplicates Z: 13 7.696 1.860 0.139 0.395 0.917 0.583 CA 1.278 13 residues pruned to eliminate duplicates Z: 10 19.242 2.213 0.448 0.883 0.889 0.778 CA 1.629 10 residues pruned to eliminate duplicates Z: 8 3.351 1.304 0.376 0.394 1.000 0.571 CB 0.790 Z: 39 30.762 2.145 0.667 0.560 0.868 0.632 CB 1.516 39 residues pruned to eliminate duplicates Z: 7 9.312 1.958 0.528 0.626 0.833 0.833 CA 1.354 7 residues pruned to eliminate duplicates Z: 18 7.807 1.634 0.303 0.465 0.941 0.529 CB 0.979 Z: 25 15.976 2.184 0.604 0.250 0.833 0.458 CB 1.489 25 residues pruned to eliminate duplicates Z: 7 2.751 1.546 -0.009 0.439 0.833 0.333 CB 0.937 Z: 11 8.517 1.779 0.176 0.551 0.800 0.700 CA 1.530 11 residues pruned to eliminate duplicates Z: 7 5.487 1.561 1.119 0.487 0.667 0.333 N 1.029 Z: 18 10.452 1.781 0.504 0.458 0.765 0.471 CB 1.292 18 residues pruned to eliminate duplicates Z: 9 8.603 1.473 0.532 0.832 1.000 0.875 CA 1.012 9 residues pruned to eliminate duplicates Z: 12 8.071 1.996 0.117 0.358 1.000 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 7 3.192 1.463 0.357 0.370 0.667 0.667 CB 1.132 Z: 15 12.707 1.671 0.481 0.858 0.929 0.643 CA 1.088 15 residues pruned to eliminate duplicates Z: 6 2.361 1.475 0.105 0.298 0.800 0.600 N 1.015 Z: 11 8.333 1.744 0.102 0.825 0.900 0.900 CA 1.149 11 residues pruned to eliminate duplicates Z: 9 8.214 1.671 0.361 0.873 0.875 0.375 CB 1.063 9 residues pruned to eliminate duplicates Z: 11 6.914 1.984 0.125 0.532 0.800 0.600 CA 1.186 11 residues pruned to eliminate duplicates Z: 10 5.975 1.704 0.513 0.565 1.000 0.556 CB 0.725 10 residues pruned to eliminate duplicates Z: 15 10.099 1.700 0.483 0.420 1.000 0.643 CA 1.164 15 residues pruned to eliminate duplicates Z: 16 10.716 1.802 0.769 0.450 0.733 0.533 CB 1.246 16 residues pruned to eliminate duplicates 6 1.864 1.278 0.302 0.544 0.800 0.800 CB 0.600 ? Z: 6 4.504 1.613 0.259 0.530 0.800 0.800 N 1.204 Z: 20 15.377 1.957 0.738 0.425 0.842 0.579 CA 1.331 20 residues pruned to eliminate duplicates Z: 6 2.511 1.305 0.083 0.489 0.800 0.400 O 1.005 Z: 13 11.440 1.802 0.861 0.545 0.750 0.667 CB 1.257 13 residues pruned to eliminate duplicates Z: 11 6.493 1.532 0.323 0.584 0.900 0.800 CB 1.038 11 residues pruned to eliminate duplicates Z: 6 2.990 1.172 0.580 0.600 0.800 0.600 CB 0.821 Z: 19 9.776 1.872 0.354 0.327 0.889 0.556 CB 1.238 18 residues pruned to eliminate duplicates Z: 8 4.177 1.764 0.374 0.529 0.857 0.714 CB 0.739 8 residues pruned to eliminate duplicates Z: 20 14.816 2.037 0.721 0.494 0.789 0.316 CB 1.236 20 residues pruned to eliminate duplicates Z: 8 4.646 1.738 0.197 0.427 1.000 0.714 CB 0.910 Z: 24 13.715 1.834 0.291 0.455 0.913 0.522 CA 1.384 24 residues pruned to eliminate duplicates 6 1.668 1.210 0.364 0.329 0.600 0.600 N 0.909 ? Z: 13 15.112 2.049 0.533 0.574 0.917 0.583 CB 1.410 13 residues pruned to eliminate duplicates Z: 10 7.357 1.794 0.156 0.650 0.889 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 9 11.419 1.579 0.654 0.830 1.000 0.875 CB 1.162 9 residues pruned to eliminate duplicates Z: 7 5.604 1.483 0.820 0.538 0.833 0.833 CB 0.980 4 residues pruned to eliminate duplicates Z: 11 7.323 1.772 0.131 0.653 0.800 0.500 N 1.253 9 residues pruned to eliminate duplicates Z: 7 2.220 1.509 0.001 0.351 0.833 0.667 CA 0.847 Z: 7 8.114 1.658 0.781 0.617 0.833 0.500 CA 1.205 7 residues pruned to eliminate duplicates Z: 9 5.127 1.573 0.490 0.256 0.875 0.625 CA 1.169 9 residues pruned to eliminate duplicates Z: 12 3.691 1.278 0.336 0.305 0.909 0.182 CB 0.890 Z: 21 19.107 1.856 0.398 0.903 0.950 0.550 CA 1.236 21 residues pruned to eliminate duplicates Z: 17 8.045 1.900 0.383 0.254 0.750 0.500 CA 1.354 17 residues pruned to eliminate duplicates Z: 8 8.242 1.880 0.095 0.695 0.857 0.714 CB 1.476 8 residues pruned to eliminate duplicates Z: 42 30.753 2.025 0.463 0.709 0.976 0.634 CB 1.374 34 residues pruned to eliminate duplicates 6 1.716 1.216 0.235 0.682 0.800 0.400 CA 0.540 ? Z: 6 2.742 1.249 0.565 0.359 0.800 0.400 CB 0.913 Z: 6 2.178 1.239 0.439 0.565 0.600 0.600 N 0.855 Z: 7 2.525 1.256 0.385 0.419 0.667 0.500 N 0.967 Z: 7 2.236 1.075 0.517 0.402 0.833 0.833 C 0.745 Z: 13 10.988 1.795 0.453 0.370 0.917 0.500 CA 1.525 13 residues pruned to eliminate duplicates Z: 14 6.059 1.790 0.135 0.362 0.769 0.538 CB 1.247 14 residues pruned to eliminate duplicates Z: 10 2.795 1.512 0.363 0.346 0.556 0.333 CB 0.962 10 residues pruned to eliminate duplicates Z: 6 3.484 1.395 0.691 0.418 0.800 0.600 CB 0.900 6 residues pruned to eliminate duplicates Z: 24 11.992 1.805 0.432 0.393 0.870 0.478 CB 1.247 24 residues pruned to eliminate duplicates Z: 8 3.829 1.423 0.315 0.460 0.714 0.429 C 1.128 Z: 14 14.620 1.819 0.309 0.871 1.000 0.692 CA 1.242 22 residues pruned to eliminate duplicates Z: 8 3.144 1.872 -0.193 0.335 0.857 0.571 CB 1.099 Z: 8 4.360 1.527 0.325 0.559 0.857 0.429 N 0.897 Z: 17 19.695 2.087 0.455 0.892 0.938 0.812 CB 1.243 17 residues pruned to eliminate duplicates Z: 18 8.921 1.783 0.255 0.417 0.824 0.353 CB 1.281 18 residues pruned to eliminate duplicates Z: 8 3.884 1.266 0.204 0.503 1.000 0.429 CB 0.960 Z: 51 31.924 2.031 0.405 0.669 0.940 0.660 CB 1.440 43 residues pruned to eliminate duplicates Z: 8 10.813 1.948 0.086 0.863 1.000 0.857 CA 1.418 8 residues pruned to eliminate duplicates Z: 24 17.898 1.924 0.525 0.644 0.913 0.652 CB 1.217 24 residues pruned to eliminate duplicates Z: 18 8.692 1.972 0.630 0.270 0.765 0.412 CB 1.115 20 residues pruned to eliminate duplicates Z: 11 4.993 1.686 0.620 0.288 0.800 0.600 CA 0.917 11 residues pruned to eliminate duplicates Z: 16 10.384 1.967 0.341 0.410 0.800 0.533 CA 1.396 16 residues pruned to eliminate duplicates Z: 6 3.239 1.759 0.157 0.367 0.600 0.400 CB 1.367 6 residues pruned to eliminate duplicates Z: 12 10.150 1.946 0.306 0.541 1.000 0.636 CB 1.157 11 residues pruned to eliminate duplicates Z: 20 11.799 1.769 0.295 0.840 0.895 0.632 CA 0.985 20 residues pruned to eliminate duplicates Z: 28 12.316 1.874 0.337 0.375 0.852 0.407 CB 1.269 28 residues pruned to eliminate duplicates Z: 60 31.219 1.977 0.633 0.548 0.814 0.458 CB 1.477 60 residues pruned to eliminate duplicates Z: 6 4.200 1.088 0.748 0.673 1.000 0.400 CA 0.842 Z: 8 6.976 1.712 0.695 0.470 0.714 0.571 CA 1.311 13 residues pruned to eliminate duplicates Z: 23 9.736 1.561 0.740 0.410 0.773 0.364 CB 1.087 23 residues pruned to eliminate duplicates Z: 9 6.125 1.580 -0.043 0.678 1.000 0.625 C 1.216 7 residues pruned to eliminate duplicates Z: 6 2.926 1.256 0.443 0.475 0.800 0.600 O 0.926 Z: 11 25.774 2.184 0.628 0.852 1.000 0.800 CA 1.695 11 residues pruned to eliminate duplicates Z: 8 4.140 1.587 0.129 0.688 0.857 0.857 N 0.858 Z: 14 15.578 1.774 0.889 0.879 0.923 0.462 CA 1.013 14 residues pruned to eliminate duplicates Z: 10 3.755 1.487 0.751 0.387 0.556 0.556 CB 0.975 10 residues pruned to eliminate duplicates Z: 6 3.012 1.501 0.198 0.336 1.000 0.400 C 0.896 Z: 11 15.216 2.097 0.184 0.767 0.900 0.600 CB 1.699 11 residues pruned to eliminate duplicates Z: 12 4.991 1.520 0.935 0.307 0.727 0.545 N 0.872 Z: 6 2.564 1.489 0.233 0.463 0.600 0.600 C 1.081 Z: 21 18.388 1.886 0.446 0.888 0.950 0.750 CA 1.144 21 residues pruned to eliminate duplicates Z: 6 5.477 1.655 0.345 0.626 1.000 0.600 CA 0.977 6 residues pruned to eliminate duplicates Z: 13 11.405 1.889 0.907 0.453 0.833 0.583 CA 1.150 13 residues pruned to eliminate duplicates Z: 29 15.222 1.809 0.633 0.352 0.929 0.464 CB 1.231 29 residues pruned to eliminate duplicates Z: 16 11.546 1.890 0.310 0.473 0.933 0.467 CB 1.326 16 residues pruned to eliminate duplicates Z: 16 8.191 1.747 0.475 0.454 0.733 0.400 CB 1.173 16 residues pruned to eliminate duplicates Z: 13 9.724 2.002 0.467 0.370 0.833 0.500 CB 1.317 13 residues pruned to eliminate duplicates Z: 6 2.386 1.442 0.259 0.296 0.800 0.600 CA 0.923 Z: 26 13.542 2.005 0.303 0.399 0.880 0.720 CA 1.309 26 residues pruned to eliminate duplicates Z: 12 5.368 1.788 0.124 0.200 0.818 0.455 C 1.406 12 residues pruned to eliminate duplicates Z: 23 17.003 2.045 0.424 0.424 0.864 0.727 CA 1.560 23 residues pruned to eliminate duplicates Z: 8 3.001 1.458 0.402 0.211 0.714 0.429 O 1.092 Z: 15 8.150 1.642 0.265 0.571 0.929 0.571 CB 1.055 15 residues pruned to eliminate duplicates Z: 41 16.760 1.897 0.398 0.469 0.850 0.550 CA 1.213 41 residues pruned to eliminate duplicates Z: 16 21.247 2.150 0.779 0.899 0.867 0.600 CB 1.183 16 residues pruned to eliminate duplicates Z: 26 9.208 1.708 0.519 0.317 0.800 0.280 CB 1.086 26 residues pruned to eliminate duplicates 9 1.648 1.372 0.356 0.312 0.750 0.375 CB 0.515 ? Using tripeptides from previous cycle as seeds Z: 20 10.746 1.886 0.287 0.513 0.842 0.684 CB 1.191 34 residues pruned to eliminate duplicates Z: 11 10.797 1.989 0.229 0.607 1.000 0.700 CB 1.262 Z: 6 4.007 1.614 0.289 0.467 0.800 0.600 CB 1.113 6 residues pruned to eliminate duplicates Z: 15 8.905 1.865 0.417 0.523 0.857 0.786 CB 1.026 12 residues pruned to eliminate duplicates Z: 6 3.403 1.396 0.296 0.556 1.000 0.600 CB 0.797 Z: 6 3.833 1.568 -0.069 0.466 1.000 0.800 N 1.215 7 residues pruned to eliminate duplicates Z: 7 4.336 1.477 0.472 0.566 0.667 0.333 CA 1.145 Z: 6 6.229 1.694 0.627 0.788 0.600 0.400 CB 1.308 6 residues pruned to eliminate duplicates Z: 6 3.858 1.556 0.614 0.410 0.800 0.400 CA 0.943 Z: 6 2.662 1.679 0.225 0.313 0.800 0.400 CB 0.890 6 residues pruned to eliminate duplicates Z: 17 9.083 1.870 0.361 0.459 0.812 0.500 CB 1.145 17 residues pruned to eliminate duplicates Z: 16 9.352 1.858 0.343 0.412 0.733 0.533 CB 1.447 16 residues pruned to eliminate duplicates Z: 15 8.517 1.823 0.302 0.420 0.786 0.429 CA 1.327 15 residues pruned to eliminate duplicates Z: 14 7.900 1.957 0.284 0.333 0.769 0.462 CB 1.361 14 residues pruned to eliminate duplicates Z: 11 8.212 1.844 0.239 0.518 0.900 0.600 CB 1.240 11 residues pruned to eliminate duplicates Z: 15 9.524 1.942 0.220 0.404 0.857 0.571 CB 1.387 15 residues pruned to eliminate duplicates Z: 9 10.570 1.915 0.543 0.484 1.000 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 14 10.781 1.938 0.317 0.466 0.923 0.615 CB 1.314 14 residues pruned to eliminate duplicates Z: 11 10.225 1.947 0.437 0.569 0.900 0.700 CB 1.202 11 residues pruned to eliminate duplicates Z: 9 2.715 1.850 0.172 0.251 0.375 0.375 CA 1.572 9 residues pruned to eliminate duplicates Z: 8 3.342 1.733 0.571 0.155 0.714 0.429 CB 0.991 Z: 14 11.622 1.997 0.212 0.360 0.923 0.692 CA 1.677 17 residues pruned to eliminate duplicates Z: 7 8.047 2.059 -0.049 0.522 1.000 0.500 CA 1.642 7 residues pruned to eliminate duplicates Z: 23 15.389 1.996 0.469 0.387 0.909 0.500 CA 1.388 23 residues pruned to eliminate duplicates Z: 24 15.247 2.008 0.438 0.344 0.870 0.652 CA 1.499 24 residues pruned to eliminate duplicates Z: 23 17.484 2.061 0.474 0.411 0.909 0.864 CA 1.483 23 residues pruned to eliminate duplicates Z: 24 15.986 1.999 0.506 0.386 0.870 0.696 CA 1.437 23 residues pruned to eliminate duplicates Z: 7 4.059 1.512 0.420 0.410 1.000 0.667 CA 0.848 7 residues pruned to eliminate duplicates Z: 16 9.268 1.951 0.212 0.334 0.800 0.467 CB 1.517 16 residues pruned to eliminate duplicates Z: 23 17.100 2.054 0.418 0.398 0.909 0.591 CA 1.533 24 residues pruned to eliminate duplicates Z: 6 4.051 1.924 0.572 0.265 0.600 0.400 CB 1.305 6 residues pruned to eliminate duplicates Z: 11 8.966 1.886 0.528 0.429 0.900 0.700 CB 1.177 9 residues pruned to eliminate duplicates Z: 6 5.276 1.470 1.008 0.422 1.000 1.000 CA 0.866 6 residues pruned to eliminate duplicates Z: 8 10.363 2.038 0.548 0.674 0.857 0.714 CA 1.234 10 residues pruned to eliminate duplicates Z: 6 5.845 1.847 0.578 0.418 1.000 0.800 CB 0.977 7 residues pruned to eliminate duplicates Z: 6 4.934 1.503 0.652 0.298 1.000 0.600 N 1.113 6 residues pruned to eliminate duplicates Z: 7 10.520 1.830 0.340 0.675 1.000 0.500 CA 1.491 10 residues pruned to eliminate duplicates Z: 13 8.052 1.889 0.205 0.349 0.917 0.667 CA 1.311 13 residues pruned to eliminate duplicates Z: 10 10.002 2.114 0.248 0.551 0.889 0.556 CA 1.353 13 residues pruned to eliminate duplicates Z: 11 8.117 2.044 0.088 0.410 0.900 0.700 CA 1.409 11 residues pruned to eliminate duplicates Z: 10 10.276 2.146 0.139 0.495 0.889 0.667 CA 1.584 11 residues pruned to eliminate duplicates Z: 17 9.560 1.797 0.279 0.354 0.875 0.312 CA 1.390 17 residues pruned to eliminate duplicates Z: 12 5.813 1.864 0.275 0.421 0.727 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 13 5.484 1.938 0.116 0.347 0.750 0.583 CA 1.152 11 residues pruned to eliminate duplicates Z: 9 9.684 1.665 0.877 0.497 0.875 0.250 CA 1.256 9 residues pruned to eliminate duplicates Z: 9 17.998 2.029 0.813 0.629 1.000 0.625 CA 1.532 11 residues pruned to eliminate duplicates Z: 8 7.694 1.475 0.747 0.730 1.000 0.429 CB 0.918 8 residues pruned to eliminate duplicates Z: 17 15.663 1.839 0.626 0.477 0.938 0.562 CB 1.429 18 residues pruned to eliminate duplicates Z: 8 10.536 1.755 0.814 0.541 1.000 0.857 CA 1.201 8 residues pruned to eliminate duplicates Z: 24 16.791 1.953 0.397 0.481 0.870 0.565 CB 1.504 23 residues pruned to eliminate duplicates Z: 6 5.085 1.487 0.173 0.555 1.000 0.600 C 1.236 6 residues pruned to eliminate duplicates Z: 25 13.934 1.905 0.299 0.491 0.792 0.500 CB 1.465 25 residues pruned to eliminate duplicates Z: 6 3.944 1.637 0.409 0.261 0.800 0.400 CA 1.255 Z: 11 6.554 1.849 0.425 0.353 0.700 0.400 N 1.316 11 residues pruned to eliminate duplicates Z: 38 16.414 1.874 0.342 0.341 0.919 0.486 CA 1.389 38 residues pruned to eliminate duplicates Z: 26 9.930 1.835 0.243 0.312 0.800 0.440 CA 1.341 32 residues pruned to eliminate duplicates Z: 13 7.912 1.916 0.477 0.299 0.750 0.167 CA 1.347 13 residues pruned to eliminate duplicates Z: 12 8.267 1.935 0.428 0.301 0.727 0.273 CA 1.548 12 residues pruned to eliminate duplicates Z: 13 9.790 1.893 0.493 0.342 0.833 0.250 CA 1.426 13 residues pruned to eliminate duplicates Z: 11 7.326 1.818 0.585 0.382 0.700 0.300 CA 1.303 11 residues pruned to eliminate duplicates Z: 14 8.999 1.770 0.366 0.402 0.846 0.308 CA 1.353 14 residues pruned to eliminate duplicates Z: 13 7.746 1.852 0.326 0.423 0.750 0.250 CA 1.315 13 residues pruned to eliminate duplicates Z: 19 9.387 1.811 0.432 0.347 0.778 0.278 CA 1.294 19 residues pruned to eliminate duplicates Z: 13 8.307 1.849 0.480 0.315 0.917 0.333 CA 1.174 13 residues pruned to eliminate duplicates Z: 26 14.889 1.958 0.237 0.393 0.960 0.640 CB 1.434 26 residues pruned to eliminate duplicates Z: 34 15.091 1.904 0.369 0.361 0.909 0.485 CA 1.287 34 residues pruned to eliminate duplicates Z: 23 14.436 1.934 0.368 0.359 0.909 0.636 CA 1.490 23 residues pruned to eliminate duplicates Z: 26 15.902 1.906 0.395 0.359 0.960 0.600 CB 1.449 26 residues pruned to eliminate duplicates Z: 20 9.363 1.793 0.384 0.353 0.789 0.368 CA 1.285 20 residues pruned to eliminate duplicates Z: 37 15.297 1.899 0.309 0.304 0.861 0.333 CB 1.480 37 residues pruned to eliminate duplicates Z: 22 15.871 1.994 0.451 0.390 0.952 0.619 CA 1.413 22 residues pruned to eliminate duplicates Z: 39 16.366 1.900 0.345 0.373 0.895 0.474 CA 1.330 39 residues pruned to eliminate duplicates Z: 26 14.629 1.896 0.331 0.332 0.960 0.560 CA 1.452 26 residues pruned to eliminate duplicates Z: 18 14.431 2.012 0.362 0.378 0.941 0.647 CA 1.545 18 residues pruned to eliminate duplicates Z: 28 14.030 1.939 0.295 0.314 0.963 0.556 CB 1.372 28 residues pruned to eliminate duplicates Z: 21 14.652 1.974 0.296 0.424 1.000 0.750 CA 1.386 21 residues pruned to eliminate duplicates Z: 33 14.720 1.939 0.263 0.357 0.938 0.594 CA 1.323 33 residues pruned to eliminate duplicates Z: 17 9.190 1.910 0.370 0.304 0.875 0.625 CB 1.248 17 residues pruned to eliminate duplicates Z: 29 16.492 1.930 0.451 0.385 0.964 0.679 CA 1.304 29 residues pruned to eliminate duplicates Z: 48 17.770 1.923 0.398 0.355 0.787 0.447 CA 1.432 48 residues pruned to eliminate duplicates Z: 37 15.254 1.909 0.357 0.344 0.889 0.583 CA 1.308 37 residues pruned to eliminate duplicates Z: 43 18.308 1.916 0.499 0.330 0.881 0.548 CA 1.345 43 residues pruned to eliminate duplicates Z: 23 10.046 1.963 0.383 0.282 0.818 0.591 CA 1.234 23 residues pruned to eliminate duplicates Z: 23 10.362 1.915 0.312 0.284 0.864 0.682 CA 1.299 23 residues pruned to eliminate duplicates Z: 23 10.659 1.910 0.347 0.300 0.864 0.682 CB 1.278 23 residues pruned to eliminate duplicates Z: 30 16.429 1.934 0.476 0.367 0.931 0.517 CB 1.324 30 residues pruned to eliminate duplicates Z: 32 12.831 1.865 0.338 0.280 0.935 0.419 CA 1.265 32 residues pruned to eliminate duplicates Z: 47 17.951 1.919 0.423 0.356 0.848 0.500 CA 1.336 47 residues pruned to eliminate duplicates Z: 22 11.259 1.922 0.274 0.302 0.952 0.619 CA 1.314 22 residues pruned to eliminate duplicates Z: 17 10.078 1.820 0.386 0.444 0.812 0.500 CB 1.303 17 residues pruned to eliminate duplicates Z: 16 10.792 1.831 0.396 0.424 0.867 0.467 CB 1.361 16 residues pruned to eliminate duplicates Z: 59 22.630 1.938 0.382 0.368 0.897 0.534 CB 1.426 59 residues pruned to eliminate duplicates Z: 34 15.242 1.815 0.523 0.333 0.879 0.545 CB 1.312 34 residues pruned to eliminate duplicates Z: 10 6.826 1.812 0.485 0.472 0.778 0.444 CB 1.118 10 residues pruned to eliminate duplicates Z: 12 6.184 1.752 0.437 0.372 0.818 0.455 CB 1.039 12 residues pruned to eliminate duplicates Z: 11 6.826 1.823 0.435 0.344 0.800 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 28 14.526 1.852 0.325 0.495 0.852 0.519 CB 1.345 28 residues pruned to eliminate duplicates Z: 9 10.121 1.798 0.640 0.501 0.875 0.500 N 1.385 9 residues pruned to eliminate duplicates Z: 50 19.733 1.921 0.389 0.379 0.878 0.653 CB 1.370 50 residues pruned to eliminate duplicates Z: 41 15.368 1.917 0.217 0.331 0.900 0.500 CA 1.392 41 residues pruned to eliminate duplicates Z: 11 6.761 1.634 0.462 0.413 0.700 0.500 N 1.400 11 residues pruned to eliminate duplicates Z: 28 14.358 1.888 0.428 0.442 0.852 0.630 CB 1.277 28 residues pruned to eliminate duplicates Z: 18 11.190 1.928 0.357 0.499 0.824 0.588 CB 1.261 18 residues pruned to eliminate duplicates Z: 28 11.494 1.880 0.343 0.394 0.741 0.481 CB 1.324 28 residues pruned to eliminate duplicates Z: 54 20.565 1.896 0.399 0.375 0.868 0.585 CB 1.403 54 residues pruned to eliminate duplicates Z: 51 15.597 1.877 0.336 0.331 0.820 0.420 CB 1.291 51 residues pruned to eliminate duplicates Z: 17 10.743 1.933 0.344 0.469 0.812 0.500 CB 1.314 17 residues pruned to eliminate duplicates Z: 29 13.809 1.863 0.467 0.416 0.821 0.571 CB 1.269 29 residues pruned to eliminate duplicates Z: 10 12.169 2.067 0.441 0.633 1.000 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 67 20.741 1.881 0.466 0.336 0.833 0.439 CB 1.328 67 residues pruned to eliminate duplicates Z: 12 9.318 1.979 0.351 0.483 0.909 0.545 CB 1.176 12 residues pruned to eliminate duplicates Z: 27 13.800 1.939 0.357 0.400 0.846 0.577 CB 1.350 27 residues pruned to eliminate duplicates Z: 9 8.597 2.036 0.309 0.602 0.875 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 10 11.392 1.908 0.623 0.573 0.889 0.444 CB 1.286 10 residues pruned to eliminate duplicates Z: 13 10.551 1.948 0.367 0.560 0.833 0.667 CB 1.295 19 residues pruned to eliminate duplicates Z: 6 7.456 1.757 0.832 0.422 1.000 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 11 8.294 1.970 0.349 0.468 0.800 0.600 CB 1.274 11 residues pruned to eliminate duplicates Z: 10 12.380 2.045 0.594 0.552 0.889 0.333 CB 1.354 10 residues pruned to eliminate duplicates Z: 15 13.196 1.901 0.381 0.551 0.929 0.500 CB 1.377 15 residues pruned to eliminate duplicates Z: 13 11.985 1.969 0.372 0.598 0.917 0.583 CB 1.273 13 residues pruned to eliminate duplicates Z: 10 12.287 2.040 0.474 0.579 0.889 0.444 CB 1.420 10 residues pruned to eliminate duplicates Z: 15 9.823 1.945 0.363 0.412 0.857 0.214 CB 1.266 23 residues pruned to eliminate duplicates Z: 6 4.059 1.661 0.138 0.422 1.000 0.400 CA 1.041 6 residues pruned to eliminate duplicates Z: 21 13.459 2.030 0.332 0.368 0.850 0.400 CA 1.507 21 residues pruned to eliminate duplicates Z: 23 14.312 1.997 0.286 0.402 0.955 0.409 CB 1.381 23 residues pruned to eliminate duplicates Z: 24 14.185 1.882 0.463 0.364 0.913 0.391 CA 1.361 24 residues pruned to eliminate duplicates Z: 21 12.525 2.035 0.223 0.426 0.850 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 22 14.718 2.049 0.381 0.375 0.857 0.571 CB 1.512 22 residues pruned to eliminate duplicates Z: 26 15.348 2.013 0.344 0.375 0.920 0.480 CB 1.410 26 residues pruned to eliminate duplicates Z: 23 16.723 1.935 0.536 0.384 0.955 0.591 CA 1.421 23 residues pruned to eliminate duplicates Z: 21 11.069 1.986 0.202 0.359 0.850 0.500 CB 1.421 21 residues pruned to eliminate duplicates Z: 21 14.342 2.048 0.318 0.381 0.900 0.400 CB 1.498 21 residues pruned to eliminate duplicates Z: 25 13.633 1.963 0.346 0.402 0.833 0.333 CB 1.401 25 residues pruned to eliminate duplicates Z: 23 11.929 2.006 0.252 0.338 0.909 0.364 CB 1.329 23 residues pruned to eliminate duplicates Z: 26 12.263 1.970 0.222 0.348 0.880 0.480 CB 1.365 26 residues pruned to eliminate duplicates Z: 28 14.633 1.987 0.327 0.344 0.926 0.481 CB 1.367 28 residues pruned to eliminate duplicates Z: 46 20.138 2.025 0.419 0.381 0.867 0.644 CB 1.369 46 residues pruned to eliminate duplicates Z: 16 10.583 1.934 0.533 0.488 0.867 0.467 CA 1.076 16 residues pruned to eliminate duplicates Z: 44 20.495 2.055 0.401 0.394 0.907 0.558 CA 1.340 44 residues pruned to eliminate duplicates Z: 29 18.278 2.036 0.513 0.468 0.893 0.536 CA 1.298 29 residues pruned to eliminate duplicates Z: 6 6.556 1.585 1.239 0.331 1.000 0.600 CA 0.994 6 residues pruned to eliminate duplicates Z: 23 18.300 2.111 0.397 0.528 0.955 0.636 CB 1.348 23 residues pruned to eliminate duplicates Z: 21 18.444 2.048 0.471 0.548 0.950 0.700 CB 1.375 21 residues pruned to eliminate duplicates Z: 24 16.780 2.036 0.442 0.514 0.913 0.609 CB 1.288 24 residues pruned to eliminate duplicates 6 1.573 1.449 0.545 0.191 0.600 0.000 N 0.759 ? Z: 7 4.576 1.446 1.124 0.320 0.667 0.000 CA 1.113 7 residues pruned to eliminate duplicates Z: 26 18.216 2.020 0.566 0.542 0.880 0.560 CB 1.257 26 residues pruned to eliminate duplicates Z: 21 17.806 2.059 0.438 0.540 0.950 0.600 CA 1.361 21 residues pruned to eliminate duplicates Z: 27 16.740 2.011 0.448 0.504 0.885 0.500 CB 1.270 27 residues pruned to eliminate duplicates Z: 23 20.219 2.035 0.635 0.548 0.955 0.636 CB 1.295 23 residues pruned to eliminate duplicates Z: 31 15.317 1.888 0.464 0.481 0.900 0.433 CB 1.146 31 residues pruned to eliminate duplicates Z: 26 15.270 2.016 0.549 0.500 0.840 0.520 CB 1.164 26 residues pruned to eliminate duplicates Z: 28 19.312 2.040 0.532 0.491 0.926 0.593 CB 1.295 28 residues pruned to eliminate duplicates Z: 28 17.473 1.978 0.517 0.513 0.926 0.556 CB 1.195 28 residues pruned to eliminate duplicates Z: 24 16.633 2.045 0.479 0.515 0.957 0.652 CB 1.181 24 residues pruned to eliminate duplicates Z: 23 18.619 2.109 0.530 0.509 0.955 0.545 CB 1.277 23 residues pruned to eliminate duplicates Z: 6 5.299 1.876 0.094 0.475 1.000 0.600 CB 1.184 6 residues pruned to eliminate duplicates Z: 33 14.074 1.996 0.402 0.314 0.719 0.312 CB 1.519 33 residues pruned to eliminate duplicates Z: 19 10.093 1.956 0.312 0.381 0.722 0.500 CA 1.457 19 residues pruned to eliminate duplicates Z: 18 9.887 1.962 0.088 0.343 0.941 0.294 CB 1.415 18 residues pruned to eliminate duplicates Z: 19 10.510 2.077 0.139 0.388 0.778 0.500 CB 1.516 19 residues pruned to eliminate duplicates Z: 25 9.743 1.873 0.293 0.259 0.750 0.458 CB 1.443 25 residues pruned to eliminate duplicates Z: 16 12.211 2.085 0.239 0.405 0.867 0.533 CA 1.555 16 residues pruned to eliminate duplicates Z: 36 13.994 2.019 0.277 0.334 0.714 0.457 CA 1.541 36 residues pruned to eliminate duplicates Z: 19 15.283 2.055 0.215 0.428 0.944 0.667 CA 1.647 19 residues pruned to eliminate duplicates Z: 15 11.649 2.115 0.180 0.379 0.857 0.429 CA 1.656 15 residues pruned to eliminate duplicates Z: 24 14.073 2.026 0.340 0.335 0.826 0.348 CB 1.568 24 residues pruned to eliminate duplicates Z: 34 19.746 2.119 0.279 0.416 0.879 0.364 CB 1.576 35 residues pruned to eliminate duplicates Z: 7 6.453 2.138 0.121 0.505 0.833 0.333 CB 1.312 7 residues pruned to eliminate duplicates Z: 21 9.519 2.002 0.379 0.316 0.650 0.300 CB 1.453 21 residues pruned to eliminate duplicates Z: 16 12.557 2.112 0.503 0.382 0.733 0.533 CB 1.578 16 residues pruned to eliminate duplicates Z: 17 11.520 2.063 0.225 0.359 0.875 0.375 CB 1.515 17 residues pruned to eliminate duplicates Z: 18 12.000 2.028 0.404 0.291 0.941 0.235 CB 1.373 18 residues pruned to eliminate duplicates Z: 17 12.660 2.062 0.418 0.362 0.812 0.312 CB 1.546 17 residues pruned to eliminate duplicates Z: 18 15.131 2.004 0.559 0.369 0.941 0.471 CB 1.437 18 residues pruned to eliminate duplicates Z: 19 10.303 1.991 0.395 0.295 0.778 0.444 CA 1.414 19 residues pruned to eliminate duplicates Z: 23 11.502 1.970 0.376 0.286 0.864 0.364 CA 1.333 23 residues pruned to eliminate duplicates Z: 10 4.965 1.603 0.603 0.372 0.778 0.444 CA 0.949 9 residues pruned to eliminate duplicates Z: 7 6.215 1.655 0.420 0.550 1.000 0.833 N 1.028 7 residues pruned to eliminate duplicates Z: 23 21.574 2.135 0.413 0.583 0.909 0.727 CB 1.548 23 residues pruned to eliminate duplicates Z: 12 12.535 2.032 0.336 0.368 1.000 0.727 CA 1.603 12 residues pruned to eliminate duplicates Z: 27 21.683 2.051 0.391 0.630 0.923 0.731 CB 1.429 27 residues pruned to eliminate duplicates Z: 23 24.755 2.174 0.364 0.643 0.955 0.727 CB 1.630 23 residues pruned to eliminate duplicates Z: 11 11.521 1.987 0.393 0.328 1.000 0.600 CB 1.591 11 residues pruned to eliminate duplicates Z: 28 19.222 2.029 0.428 0.594 0.889 0.667 CB 1.313 28 residues pruned to eliminate duplicates Z: 27 17.626 2.051 0.226 0.614 0.885 0.538 CB 1.395 27 residues pruned to eliminate duplicates Z: 25 21.564 2.154 0.345 0.650 0.917 0.625 CB 1.441 25 residues pruned to eliminate duplicates Z: 11 13.907 2.256 0.410 0.844 0.700 0.700 CB 1.469 11 residues pruned to eliminate duplicates Z: 11 19.563 2.219 0.568 0.778 0.900 0.400 CB 1.547 11 residues pruned to eliminate duplicates Z: 28 22.785 2.040 0.509 0.611 0.889 0.630 CB 1.442 28 residues pruned to eliminate duplicates Z: 28 16.842 2.015 0.388 0.598 0.815 0.556 CB 1.294 28 residues pruned to eliminate duplicates Z: 24 20.294 2.118 0.386 0.563 0.957 0.565 CB 1.418 24 residues pruned to eliminate duplicates Z: 29 18.071 1.994 0.447 0.582 0.821 0.500 CB 1.332 29 residues pruned to eliminate duplicates Z: 16 24.373 2.135 0.543 0.910 1.000 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 15 23.376 2.182 0.549 0.916 1.000 0.714 CB 1.305 15 residues pruned to eliminate duplicates Z: 11 23.933 2.183 0.813 0.887 1.000 0.700 CB 1.379 11 residues pruned to eliminate duplicates Z: 50 28.829 2.184 0.560 0.412 0.857 0.551 CB 1.547 50 residues pruned to eliminate duplicates Z: 52 31.714 2.161 0.601 0.440 0.902 0.627 CA 1.514 78 residues pruned to eliminate duplicates Z: 9 5.221 1.792 0.760 0.476 0.625 0.250 CB 0.959 9 residues pruned to eliminate duplicates Z: 50 28.281 2.170 0.591 0.414 0.878 0.571 CB 1.460 50 residues pruned to eliminate duplicates Z: 25 12.635 2.036 0.720 0.287 0.750 0.417 CB 1.249 25 residues pruned to eliminate duplicates Z: 25 17.396 2.211 0.682 0.290 0.875 0.542 CB 1.380 25 residues pruned to eliminate duplicates Z: 33 12.211 2.016 0.600 0.223 0.750 0.406 CB 1.235 33 residues pruned to eliminate duplicates Z: 17 10.426 2.068 0.466 0.132 0.938 0.375 CB 1.452 17 residues pruned to eliminate duplicates Z: 12 8.499 2.184 0.750 0.243 0.818 0.545 CB 1.103 12 residues pruned to eliminate duplicates Z: 24 16.481 2.214 0.681 0.278 0.826 0.478 CB 1.436 24 residues pruned to eliminate duplicates Z: 53 19.564 2.023 0.515 0.364 0.731 0.577 CB 1.402 53 residues pruned to eliminate duplicates Z: 24 18.139 2.221 0.696 0.294 0.870 0.609 CB 1.454 24 residues pruned to eliminate duplicates Z: 27 15.924 2.198 0.535 0.261 0.808 0.538 CB 1.505 27 residues pruned to eliminate duplicates Z: 25 15.096 2.150 0.632 0.298 0.792 0.583 CB 1.391 25 residues pruned to eliminate duplicates Z: 51 27.168 2.163 0.626 0.368 0.840 0.500 CB 1.498 51 residues pruned to eliminate duplicates Z: 24 16.886 2.218 0.759 0.294 0.826 0.522 CB 1.376 24 residues pruned to eliminate duplicates Z: 35 14.581 1.980 0.519 0.234 0.824 0.441 CB 1.375 35 residues pruned to eliminate duplicates Z: 16 13.096 2.227 0.515 0.343 0.800 0.533 CA 1.486 16 residues pruned to eliminate duplicates Z: 22 20.205 2.262 0.750 0.343 0.905 0.619 CA 1.460 22 residues pruned to eliminate duplicates Z: 24 13.861 2.140 0.589 0.257 0.870 0.391 CB 1.292 24 residues pruned to eliminate duplicates Z: 35 20.036 2.049 0.553 0.373 0.882 0.588 CB 1.403 35 residues pruned to eliminate duplicates Z: 9 9.513 1.874 0.977 0.304 1.000 0.625 CB 1.129 9 residues pruned to eliminate duplicates Z: 8 12.782 1.996 1.160 0.351 1.000 0.571 CA 1.316 8 residues pruned to eliminate duplicates Z: 7 8.698 1.778 0.911 0.439 0.833 0.667 CA 1.336 7 residues pruned to eliminate duplicates Z: 8 10.515 2.004 1.068 0.322 0.857 0.571 CB 1.361 8 residues pruned to eliminate duplicates Z: 34 11.252 1.862 0.620 0.264 0.697 0.455 CB 1.218 34 residues pruned to eliminate duplicates Z: 36 15.196 2.006 0.697 0.293 0.771 0.429 CB 1.234 33 residues pruned to eliminate duplicates Z: 8 7.683 1.865 1.000 0.370 0.857 0.429 CB 1.045 8 residues pruned to eliminate duplicates Z: 12 10.553 1.865 0.806 0.312 0.909 0.545 CB 1.280 12 residues pruned to eliminate duplicates Z: 30 18.272 1.973 0.966 0.305 0.862 0.448 CB 1.260 36 residues pruned to eliminate duplicates Z: 7 4.915 1.518 1.247 0.492 0.500 0.167 N 1.186 7 residues pruned to eliminate duplicates Z: 23 14.176 2.041 0.733 0.300 0.773 0.545 CB 1.382 23 residues pruned to eliminate duplicates Z: 23 16.855 1.933 0.830 0.416 0.955 0.591 CB 1.162 23 residues pruned to eliminate duplicates Z: 24 18.480 2.019 0.896 0.352 0.870 0.565 CB 1.358 21 residues pruned to eliminate duplicates Z: 6 2.476 1.447 0.428 0.373 1.000 0.800 CA 0.614 6 residues pruned to eliminate duplicates Z: 16 11.037 1.971 0.590 0.415 0.800 0.533 CA 1.242 16 residues pruned to eliminate duplicates Z: 25 15.988 1.989 0.802 0.334 0.792 0.417 CB 1.378 25 residues pruned to eliminate duplicates Z: 13 10.341 2.052 0.420 0.414 0.833 0.500 CA 1.346 13 residues pruned to eliminate duplicates Z: 18 15.656 2.042 0.793 0.387 0.824 0.471 CA 1.420 18 residues pruned to eliminate duplicates Z: 22 13.280 1.974 0.691 0.336 0.810 0.524 CB 1.282 22 residues pruned to eliminate duplicates Z: 17 13.434 1.869 0.651 0.351 0.938 0.438 CA 1.364 17 residues pruned to eliminate duplicates Z: 67 39.110 2.107 0.669 0.570 0.894 0.439 CB 1.431 67 residues pruned to eliminate duplicates Z: 26 20.016 2.016 0.527 0.486 0.960 0.440 CB 1.374 26 residues pruned to eliminate duplicates Z: 16 11.141 1.865 0.256 0.587 0.867 0.333 CB 1.303 16 residues pruned to eliminate duplicates Z: 14 12.728 2.065 0.493 0.676 0.769 0.462 CB 1.266 14 residues pruned to eliminate duplicates Z: 14 16.861 2.004 0.565 0.686 0.846 0.462 CB 1.486 14 residues pruned to eliminate duplicates Z: 14 12.005 1.974 0.403 0.684 0.846 0.538 CB 1.200 14 residues pruned to eliminate duplicates Z: 33 35.091 2.188 0.868 0.771 0.875 0.375 CB 1.365 33 residues pruned to eliminate duplicates Z: 11 17.469 2.173 0.966 0.763 0.800 0.300 CB 1.280 11 residues pruned to eliminate duplicates Z: 35 20.201 2.093 0.615 0.489 0.824 0.471 CB 1.259 35 residues pruned to eliminate duplicates Z: 61 40.291 2.219 0.636 0.549 0.900 0.550 CB 1.518 61 residues pruned to eliminate duplicates Z: 38 23.594 2.106 0.710 0.438 0.838 0.405 CB 1.370 38 residues pruned to eliminate duplicates Z: 62 42.962 2.195 0.688 0.574 0.934 0.574 CB 1.480 62 residues pruned to eliminate duplicates Z: 58 36.969 2.168 0.616 0.509 0.912 0.561 CB 1.519 58 residues pruned to eliminate duplicates Z: 30 21.178 2.175 0.537 0.391 0.897 0.448 CB 1.473 30 residues pruned to eliminate duplicates Z: 20 23.721 2.133 0.505 0.643 0.947 0.526 CB 1.566 20 residues pruned to eliminate duplicates Z: 33 28.142 2.199 0.683 0.512 0.938 0.531 CB 1.417 33 residues pruned to eliminate duplicates Z: 61 33.068 2.109 0.579 0.546 0.850 0.583 CB 1.442 61 residues pruned to eliminate duplicates Z: 51 45.323 2.257 0.632 0.581 0.960 0.620 CB 1.677 51 residues pruned to eliminate duplicates Z: 71 39.662 2.125 0.788 0.544 0.814 0.471 CB 1.467 71 residues pruned to eliminate duplicates Z: 30 17.510 2.085 0.627 0.307 0.862 0.414 CA 1.378 30 residues pruned to eliminate duplicates Z: 16 8.011 1.944 0.512 0.355 0.800 0.467 CB 1.029 16 residues pruned to eliminate duplicates Z: 64 43.287 2.232 0.503 0.586 0.952 0.619 CB 1.571 45 residues pruned to eliminate duplicates Z: 7 6.923 1.723 0.868 0.438 0.833 0.667 CB 1.123 Z: 8 2.758 1.107 0.832 0.398 0.857 0.571 C 0.668 Z: 6 4.303 1.806 0.681 0.256 0.600 0.400 CA 1.397 Z: 54 39.543 2.171 0.609 0.541 0.925 0.623 CA 1.616 60 residues pruned to eliminate duplicates Z: 62 44.851 2.220 0.650 0.569 0.951 0.639 CB 1.542 62 residues pruned to eliminate duplicates Z: 40 37.235 2.191 0.666 0.565 0.949 0.641 CB 1.616 40 residues pruned to eliminate duplicates Z: 48 39.528 2.173 0.651 0.566 0.936 0.638 CB 1.610 48 residues pruned to eliminate duplicates Z: 39 35.344 2.129 0.825 0.501 0.947 0.579 CB 1.557 39 residues pruned to eliminate duplicates Z: 16 16.325 2.073 0.638 0.488 0.933 0.667 CA 1.347 16 residues pruned to eliminate duplicates Z: 59 38.256 2.174 0.612 0.510 0.914 0.586 CB 1.554 59 residues pruned to eliminate duplicates Z: 55 40.035 2.192 0.641 0.530 0.926 0.574 CB 1.589 55 residues pruned to eliminate duplicates Z: 24 31.456 2.196 0.510 0.710 1.000 0.783 CA 1.635 24 residues pruned to eliminate duplicates Z: 28 30.537 2.143 0.434 0.723 1.000 0.889 CA 1.563 28 residues pruned to eliminate duplicates Z: 69 42.497 2.132 0.608 0.560 0.926 0.647 CB 1.532 69 residues pruned to eliminate duplicates Z: 28 25.237 2.051 0.597 0.586 0.963 0.667 CA 1.417 28 residues pruned to eliminate duplicates Z: 27 28.216 2.152 0.399 0.603 0.923 0.769 CB 1.806 27 residues pruned to eliminate duplicates Z: 31 29.421 2.044 0.623 0.641 0.900 0.700 CA 1.577 31 residues pruned to eliminate duplicates Z: 36 33.033 2.141 0.493 0.651 0.971 0.714 CA 1.562 36 residues pruned to eliminate duplicates Z: 35 35.761 2.173 0.510 0.681 1.000 0.676 CA 1.582 35 residues pruned to eliminate duplicates Z: 35 34.180 2.131 0.528 0.651 1.000 0.735 CA 1.564 35 residues pruned to eliminate duplicates Z: 34 36.811 2.156 0.578 0.681 1.000 0.727 CA 1.594 34 residues pruned to eliminate duplicates Z: 31 33.956 2.162 0.728 0.588 0.900 0.667 CB 1.695 31 residues pruned to eliminate duplicates Z: 35 35.036 2.166 0.500 0.672 1.000 0.735 CA 1.578 35 residues pruned to eliminate duplicates Z: 62 37.715 2.198 0.582 0.538 0.902 0.623 CB 1.484 62 residues pruned to eliminate duplicates Z: 53 39.527 2.212 0.691 0.555 0.904 0.615 CB 1.537 53 residues pruned to eliminate duplicates Z: 63 40.984 2.175 0.677 0.531 0.919 0.484 CB 1.505 63 residues pruned to eliminate duplicates Z: 27 32.914 2.170 0.676 0.666 0.962 0.615 CA 1.583 27 residues pruned to eliminate duplicates Z: 57 39.836 2.152 0.677 0.562 0.929 0.554 CB 1.495 57 residues pruned to eliminate duplicates Z: 38 29.490 2.156 0.487 0.625 0.865 0.568 CB 1.554 38 residues pruned to eliminate duplicates Z: 33 40.034 2.202 0.720 0.688 0.938 0.594 CA 1.678 33 residues pruned to eliminate duplicates Z: 63 45.966 2.204 0.731 0.585 0.919 0.565 CB 1.534 63 residues pruned to eliminate duplicates Z: 35 36.123 2.143 0.644 0.691 1.000 0.706 CB 1.476 35 residues pruned to eliminate duplicates Z: 35 39.373 2.134 0.782 0.689 0.971 0.588 CB 1.539 35 residues pruned to eliminate duplicates Z: 17 38.111 2.352 0.847 0.865 0.938 0.500 CB 1.714 33 residues pruned to eliminate duplicates Z: 21 48.520 2.323 0.939 0.895 1.000 0.650 CB 1.726 21 residues pruned to eliminate duplicates Z: 22 41.235 2.248 0.784 0.902 1.000 0.381 CB 1.600 22 residues pruned to eliminate duplicates Z: 30 41.652 2.245 0.787 0.726 0.966 0.483 CB 1.629 30 residues pruned to eliminate duplicates Z: 63 42.843 2.209 0.803 0.544 0.871 0.419 CB 1.502 63 residues pruned to eliminate duplicates Z: 11 8.043 1.781 0.815 0.704 0.700 0.600 CB 0.933 7 residues pruned to eliminate duplicates Z: 10 7.423 1.658 0.336 0.749 0.667 0.333 CA 1.341 10 residues pruned to eliminate duplicates Z: 8 9.416 1.801 0.456 0.790 0.857 0.857 CA 1.228 8 residues pruned to eliminate duplicates Z: 14 14.091 1.931 0.561 0.614 0.846 0.692 CB 1.375 12 residues pruned to eliminate duplicates Z: 8 7.651 1.823 0.188 0.662 0.714 0.571 CB 1.608 8 residues pruned to eliminate duplicates Z: 62 38.384 2.047 0.710 0.596 0.902 0.574 CB 1.420 55 residues pruned to eliminate duplicates Z: 11 11.395 1.868 0.536 0.768 0.900 0.500 CB 1.101 11 residues pruned to eliminate duplicates Z: 56 34.758 2.030 0.686 0.627 0.855 0.418 CB 1.422 56 residues pruned to eliminate duplicates Z: 63 36.844 2.078 0.551 0.605 0.871 0.694 CA 1.509 63 residues pruned to eliminate duplicates Z: 40 32.137 2.030 0.728 0.700 0.949 0.538 CB 1.289 40 residues pruned to eliminate duplicates Z: 51 34.310 2.055 0.580 0.664 0.900 0.500 CB 1.426 51 residues pruned to eliminate duplicates Z: 43 32.870 2.056 0.656 0.644 0.905 0.595 CB 1.440 43 residues pruned to eliminate duplicates Z: 47 28.248 2.118 0.386 0.559 0.870 0.717 CA 1.540 47 residues pruned to eliminate duplicates Z: 63 37.875 2.041 0.751 0.584 0.903 0.532 CB 1.374 63 residues pruned to eliminate duplicates Z: 9 4.875 2.028 0.341 0.271 0.625 0.375 CA 1.315 9 residues pruned to eliminate duplicates Z: 11 7.799 1.880 0.483 0.277 0.800 0.400 N 1.423 11 residues pruned to eliminate duplicates Z: 20 14.745 2.116 0.490 0.374 0.842 0.526 CA 1.458 20 residues pruned to eliminate duplicates Z: 12 13.555 2.223 0.709 0.480 0.818 0.636 CA 1.342 12 residues pruned to eliminate duplicates Z: 56 27.438 2.060 0.534 0.499 0.818 0.564 CA 1.432 56 residues pruned to eliminate duplicates Z: 45 29.206 2.156 0.384 0.587 0.886 0.773 CA 1.532 45 residues pruned to eliminate duplicates Z: 19 12.442 1.997 0.655 0.308 0.889 0.389 CA 1.236 19 residues pruned to eliminate duplicates Z: 14 9.116 2.089 0.547 0.352 0.692 0.462 CA 1.327 14 residues pruned to eliminate duplicates Z: 13 11.298 2.163 0.759 0.399 0.750 0.500 CA 1.272 13 residues pruned to eliminate duplicates Z: 53 32.370 2.093 0.766 0.466 0.846 0.558 CA 1.486 53 residues pruned to eliminate duplicates Z: 20 14.831 2.013 0.751 0.335 0.947 0.474 CA 1.220 20 residues pruned to eliminate duplicates Z: 37 24.738 2.018 0.737 0.482 0.917 0.500 CA 1.307 26 residues pruned to eliminate duplicates Z: 35 18.946 2.111 0.487 0.397 0.824 0.618 CA 1.401 20 residues pruned to eliminate duplicates 6 1.183 1.489 -0.021 0.457 0.600 0.600 CA 0.632 ? Z: 6 3.362 1.753 0.152 0.308 1.000 0.400 CA 0.921 Z: 7 5.988 1.676 0.361 0.512 1.000 0.667 CA 1.059 Z: 6 7.554 1.789 0.821 0.361 1.000 0.600 CA 1.205 Z: 28 28.443 2.156 0.359 0.725 0.926 0.815 CB 1.647 28 residues pruned to eliminate duplicates Z: 46 31.048 2.107 0.504 0.560 0.911 0.756 CA 1.512 58 residues pruned to eliminate duplicates Z: 21 25.895 2.019 0.357 0.912 1.000 0.650 CB 1.496 21 residues pruned to eliminate duplicates Z: 41 34.292 2.137 0.653 0.578 0.900 0.575 CA 1.581 41 residues pruned to eliminate duplicates Z: 40 29.676 2.117 0.611 0.581 0.795 0.641 CA 1.622 40 residues pruned to eliminate duplicates Z: 33 36.106 2.108 0.668 0.703 0.938 0.625 CB 1.610 33 residues pruned to eliminate duplicates Z: 41 32.648 2.137 0.618 0.593 0.875 0.625 CA 1.561 41 residues pruned to eliminate duplicates Z: 46 32.553 2.128 0.638 0.552 0.867 0.556 CB 1.527 46 residues pruned to eliminate duplicates Z: 19 27.730 2.111 0.634 0.895 0.944 0.500 CB 1.439 19 residues pruned to eliminate duplicates Z: 43 32.102 2.091 0.710 0.598 0.833 0.595 CB 1.514 28 residues pruned to eliminate duplicates Z: 16 20.313 1.849 0.661 0.890 0.933 0.667 CB 1.316 19 residues pruned to eliminate duplicates Z: 20 17.991 1.861 0.629 0.786 0.789 0.526 CB 1.341 17 residues pruned to eliminate duplicates Z: 19 28.334 2.072 0.776 0.914 0.889 0.444 CB 1.444 19 residues pruned to eliminate duplicates Z: 18 31.547 2.103 0.905 0.940 0.882 0.647 CB 1.503 18 residues pruned to eliminate duplicates Z: 54 32.018 2.078 0.598 0.521 0.849 0.472 CB 1.529 54 residues pruned to eliminate duplicates Z: 39 29.537 2.089 0.633 0.635 0.868 0.500 CB 1.425 39 residues pruned to eliminate duplicates Z: 49 28.587 2.048 0.630 0.496 0.833 0.562 CB 1.489 49 residues pruned to eliminate duplicates Z: 63 34.712 2.052 0.550 0.576 0.887 0.516 CB 1.452 63 residues pruned to eliminate duplicates Z: 53 29.628 2.055 0.616 0.546 0.827 0.596 CB 1.430 53 residues pruned to eliminate duplicates Z: 48 33.018 2.049 0.608 0.677 0.915 0.638 CB 1.357 31 residues pruned to eliminate duplicates Z: 7 4.145 1.711 0.309 0.480 0.833 0.667 CB 0.925 7 residues pruned to eliminate duplicates Z: 54 35.990 2.107 0.637 0.560 0.906 0.585 CA 1.493 54 residues pruned to eliminate duplicates Z: 64 35.934 2.059 0.667 0.524 0.889 0.587 CA 1.449 64 residues pruned to eliminate duplicates Z: 53 29.243 2.094 0.592 0.533 0.788 0.462 CA 1.494 53 residues pruned to eliminate duplicates Z: 44 27.684 2.001 0.528 0.529 0.907 0.581 CB 1.479 21 residues pruned to eliminate duplicates Z: 11 15.082 1.784 0.574 0.828 1.000 0.700 CA 1.279 11 residues pruned to eliminate duplicates Z: 50 33.309 2.104 0.582 0.620 0.837 0.612 CA 1.526 50 residues pruned to eliminate duplicates Z: 58 38.199 2.056 0.701 0.613 0.895 0.544 CA 1.454 58 residues pruned to eliminate duplicates Z: 62 36.543 2.053 0.583 0.587 0.902 0.623 CA 1.469 62 residues pruned to eliminate duplicates Z: 17 14.965 1.907 0.711 0.486 0.875 0.688 CB 1.330 26 residues pruned to eliminate duplicates Z: 6 4.295 1.884 0.420 0.334 0.800 0.600 CA 1.076 6 residues pruned to eliminate duplicates Z: 17 14.953 1.928 0.537 0.503 0.875 0.562 CB 1.437 17 residues pruned to eliminate duplicates Z: 13 13.947 1.993 0.520 0.577 0.833 0.583 CB 1.481 13 residues pruned to eliminate duplicates Z: 17 16.392 1.940 0.657 0.499 0.875 0.750 CB 1.458 17 residues pruned to eliminate duplicates Z: 17 14.609 1.799 0.668 0.486 0.875 0.625 CB 1.411 17 residues pruned to eliminate duplicates Z: 13 15.916 1.989 0.496 0.581 0.917 0.750 CA 1.559 13 residues pruned to eliminate duplicates Z: 17 15.359 1.868 0.677 0.496 0.875 0.562 CB 1.406 17 residues pruned to eliminate duplicates Z: 17 14.160 1.959 0.505 0.504 0.812 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 13 15.470 1.979 0.481 0.578 0.917 0.583 CB 1.542 13 residues pruned to eliminate duplicates Z: 22 10.554 1.825 0.504 0.346 0.857 0.571 CB 1.158 22 residues pruned to eliminate duplicates Z: 15 8.241 1.809 0.448 0.376 0.857 0.357 CB 1.121 15 residues pruned to eliminate duplicates Z: 25 12.559 1.841 0.308 0.425 0.833 0.625 CB 1.381 25 residues pruned to eliminate duplicates Z: 14 12.459 1.903 0.687 0.451 0.846 0.615 CA 1.337 14 residues pruned to eliminate duplicates Z: 14 11.002 1.899 0.590 0.480 0.769 0.692 CA 1.341 14 residues pruned to eliminate duplicates Z: 10 9.619 1.983 0.521 0.496 0.778 0.667 CB 1.373 10 residues pruned to eliminate duplicates Z: 15 7.498 1.868 0.383 0.410 0.786 0.429 CB 1.085 15 residues pruned to eliminate duplicates Z: 26 14.997 1.877 0.502 0.406 0.880 0.480 CB 1.335 26 residues pruned to eliminate duplicates Z: 36 16.496 1.977 0.365 0.397 0.829 0.486 CB 1.391 36 residues pruned to eliminate duplicates Z: 14 8.303 1.855 0.490 0.424 0.846 0.769 CA 1.065 14 residues pruned to eliminate duplicates Z: 28 14.678 1.997 0.242 0.359 0.926 0.481 CA 1.432 28 residues pruned to eliminate duplicates Z: 31 16.152 2.002 0.330 0.413 0.867 0.633 CA 1.400 31 residues pruned to eliminate duplicates Z: 37 15.726 1.861 0.301 0.428 0.833 0.500 CA 1.400 34 residues pruned to eliminate duplicates Z: 6 4.274 1.486 0.582 0.232 1.000 0.800 CA 1.110 6 residues pruned to eliminate duplicates Z: 28 13.606 2.007 0.243 0.384 0.889 0.593 CA 1.336 28 residues pruned to eliminate duplicates Z: 24 11.777 1.900 0.370 0.342 0.870 0.522 CB 1.288 24 residues pruned to eliminate duplicates Z: 22 12.364 1.905 0.475 0.386 0.714 0.381 CB 1.516 22 residues pruned to eliminate duplicates Z: 29 12.289 1.944 0.316 0.336 0.857 0.500 CB 1.267 29 residues pruned to eliminate duplicates Z: 32 15.202 1.944 0.274 0.386 0.935 0.484 CA 1.329 32 residues pruned to eliminate duplicates Z: 20 10.870 1.959 0.446 0.368 0.737 0.316 CA 1.376 20 residues pruned to eliminate duplicates Z: 47 19.280 1.966 0.381 0.405 0.848 0.587 CB 1.365 47 residues pruned to eliminate duplicates Z: 18 10.808 1.973 0.411 0.365 0.765 0.471 CA 1.424 18 residues pruned to eliminate duplicates Z: 36 16.780 1.924 0.431 0.452 0.829 0.457 CA 1.306 36 residues pruned to eliminate duplicates Z: 40 16.342 1.908 0.403 0.337 0.897 0.410 CB 1.300 40 residues pruned to eliminate duplicates Z: 23 9.538 1.938 0.297 0.311 0.818 0.500 CA 1.220 23 residues pruned to eliminate duplicates Z: 57 17.578 1.893 0.389 0.354 0.804 0.518 CB 1.301 57 residues pruned to eliminate duplicates Z: 6 2.019 1.782 0.060 0.259 0.800 0.200 CA 0.786 6 residues pruned to eliminate duplicates Z: 6 3.282 1.788 -0.067 0.345 0.800 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 15 6.903 1.768 0.499 0.378 0.714 0.286 CA 1.110 15 residues pruned to eliminate duplicates Z: 9 4.943 1.721 0.342 0.511 1.000 0.500 CA 0.749 9 residues pruned to eliminate duplicates Z: 15 13.333 1.924 0.468 0.819 0.786 0.714 CA 1.218 15 residues pruned to eliminate duplicates Z: 56 30.681 1.958 0.560 0.573 0.891 0.527 CA 1.417 56 residues pruned to eliminate duplicates Z: 18 17.854 1.812 0.746 0.743 0.882 0.706 CA 1.248 18 residues pruned to eliminate duplicates Z: 15 20.758 1.854 0.773 0.788 0.929 0.429 CA 1.411 15 residues pruned to eliminate duplicates Z: 16 21.426 1.920 0.721 0.853 0.933 0.533 CA 1.327 16 residues pruned to eliminate duplicates Z: 16 17.047 1.924 0.685 0.830 0.800 0.467 CA 1.276 16 residues pruned to eliminate duplicates Z: 20 17.852 1.800 0.794 0.683 0.842 0.526 CA 1.273 20 residues pruned to eliminate duplicates Z: 28 19.009 1.769 0.630 0.704 0.778 0.519 CA 1.355 28 residues pruned to eliminate duplicates Z: 20 17.297 1.865 0.569 0.664 0.842 0.526 CA 1.384 20 residues pruned to eliminate duplicates Z: 30 24.526 1.999 0.763 0.714 0.759 0.552 CA 1.403 30 residues pruned to eliminate duplicates Z: 49 27.858 2.044 0.493 0.524 0.854 0.521 CA 1.507 49 residues pruned to eliminate duplicates Z: 36 27.759 1.991 0.636 0.631 0.886 0.400 CA 1.439 36 residues pruned to eliminate duplicates Z: 36 25.683 2.060 0.578 0.495 0.857 0.457 CB 1.566 36 residues pruned to eliminate duplicates Z: 33 27.456 2.099 0.524 0.481 0.906 0.438 CB 1.707 36 residues pruned to eliminate duplicates Z: 9 18.368 2.077 0.736 0.811 0.875 0.375 CA 1.570 9 residues pruned to eliminate duplicates Z: 20 14.667 2.066 0.392 0.472 0.842 0.316 CA 1.430 20 residues pruned to eliminate duplicates Z: 33 24.733 2.099 0.551 0.478 0.875 0.469 CB 1.569 33 residues pruned to eliminate duplicates Z: 37 25.106 2.070 0.526 0.437 0.861 0.417 CA 1.641 35 residues pruned to eliminate duplicates Z: 9 15.174 2.081 0.730 0.808 0.875 0.250 CA 1.303 9 residues pruned to eliminate duplicates Z: 31 23.215 2.132 0.505 0.436 0.867 0.600 CA 1.628 31 residues pruned to eliminate duplicates Z: 21 19.308 1.989 0.709 0.512 0.850 0.500 CB 1.477 21 residues pruned to eliminate duplicates Z: 33 27.113 2.113 0.549 0.512 0.906 0.500 CA 1.596 33 residues pruned to eliminate duplicates Z: 35 25.363 2.066 0.575 0.463 0.853 0.441 CB 1.627 35 residues pruned to eliminate duplicates Z: 19 18.133 2.084 0.459 0.531 0.833 0.389 CA 1.636 19 residues pruned to eliminate duplicates Z: 34 25.232 2.053 0.603 0.434 0.909 0.455 CB 1.571 34 residues pruned to eliminate duplicates Z: 36 18.857 2.016 0.397 0.409 0.829 0.429 CB 1.503 36 residues pruned to eliminate duplicates Z: 33 23.673 2.098 0.494 0.459 0.875 0.438 CA 1.592 33 residues pruned to eliminate duplicates Z: 35 22.301 1.981 0.613 0.428 0.853 0.471 CA 1.512 35 residues pruned to eliminate duplicates Z: 36 27.581 2.075 0.513 0.498 0.886 0.514 CA 1.680 35 residues pruned to eliminate duplicates Z: 6 7.006 1.620 0.855 0.441 1.000 0.600 CA 1.108 6 residues pruned to eliminate duplicates Z: 33 27.004 2.060 0.749 0.458 0.875 0.531 CB 1.580 33 residues pruned to eliminate duplicates Z: 34 23.878 2.105 0.535 0.416 0.879 0.455 CA 1.598 34 residues pruned to eliminate duplicates Z: 35 22.605 2.049 0.594 0.457 0.765 0.412 CA 1.622 35 residues pruned to eliminate duplicates Z: 19 12.527 2.050 0.419 0.371 0.778 0.444 CB 1.498 19 residues pruned to eliminate duplicates Z: 26 17.754 2.028 0.711 0.301 0.880 0.560 CA 1.451 26 residues pruned to eliminate duplicates Z: 28 17.271 1.931 0.474 0.357 0.889 0.556 CA 1.534 29 residues pruned to eliminate duplicates Z: 45 27.539 2.009 0.559 0.497 0.886 0.500 CA 1.500 44 residues pruned to eliminate duplicates Z: 9 10.111 1.629 0.762 0.708 0.875 0.375 CA 1.178 9 residues pruned to eliminate duplicates Z: 36 27.662 2.090 0.580 0.501 0.886 0.486 CA 1.598 36 residues pruned to eliminate duplicates Z: 22 15.410 2.059 0.473 0.491 0.714 0.524 CA 1.567 22 residues pruned to eliminate duplicates 594 residues left after pruning, divided into chains as follows: A: 9 B: 6 C: 6 D: 11 E: 7 F: 6 G: 10 H: 22 I: 8 J: 7 K: 11 L: 24 M: 68 N: 59 O: 36 P: 46 Q: 30 R: 59 S: 9 T: 62 U: 98 CC for partial structure against native data = 21.81 % ------------------------------------------------------------------------------ Global autotracing cycle 22 = 0.300, Contrast = 0.397, Connect. = 0.684 for dens.mod. cycle 1 = 0.300, Contrast = 0.458, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.555, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.565, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.566, Connect. = 0.760 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6801 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1260 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 54 29.074 2.148 0.579 0.443 0.830 0.528 CA 1.503 B: 8 15.512 2.218 0.405 0.708 1.000 0.571 CA 1.557 C: 17 30.645 2.145 0.629 0.901 0.938 0.750 CB 1.670 D: 20 35.097 2.238 0.725 0.895 0.947 0.737 CB 1.579 17 residues pruned to eliminate duplicates E: 12 16.286 1.810 0.771 0.864 0.909 0.636 CA 1.235 F: 14 18.514 2.074 0.751 0.917 1.000 0.692 CB 0.997 14 residues pruned to eliminate duplicates G: 49 24.791 2.090 0.502 0.430 0.854 0.458 CB 1.434 49 residues pruned to eliminate duplicates H: 17 31.452 2.286 0.537 0.921 0.938 0.938 CB 1.680 17 residues pruned to eliminate duplicates I: 16 18.703 2.045 0.475 0.906 1.000 0.867 CB 1.139 16 residues pruned to eliminate duplicates J: 19 22.185 2.045 0.204 0.880 1.000 0.889 CB 1.538 K: 15 18.152 1.991 0.271 0.829 1.000 0.714 CB 1.443 L: 9 12.102 2.023 0.471 0.655 0.875 0.875 CA 1.423 M: 12 22.334 2.048 0.698 0.813 1.000 0.727 CA 1.474 12 residues pruned to eliminate duplicates N: 18 36.529 2.225 0.677 0.892 1.000 0.882 CA 1.706 17 residues pruned to eliminate duplicates O: 17 13.470 1.874 0.527 0.497 0.875 0.500 CB 1.349 P: 13 17.095 2.276 0.208 0.886 1.000 0.750 CB 1.296 13 residues pruned to eliminate duplicates Q: 16 10.661 2.126 0.117 0.442 0.733 0.600 CB 1.678 R: 15 10.468 2.131 0.112 0.448 0.714 0.571 CB 1.743 15 residues pruned to eliminate duplicates S: 11 22.600 2.189 0.620 0.912 1.000 0.700 CB 1.427 11 residues pruned to eliminate duplicates T: 16 27.874 2.209 0.433 0.918 1.000 1.000 CB 1.604 19 residues pruned to eliminate duplicates U: 21 31.548 2.144 0.712 0.903 0.900 0.450 CB 1.522 20 residues pruned to eliminate duplicates V: 19 11.222 2.078 0.476 0.343 0.778 0.556 CB 1.316 W: 11 7.171 1.838 0.353 0.422 0.800 0.600 CB 1.236 X: 16 10.530 2.046 0.155 0.457 0.733 0.533 CB 1.638 17 residues pruned to eliminate duplicates Y: 11 9.182 1.610 0.398 0.776 0.900 0.400 CA 1.124 Z: 8 7.633 1.744 0.312 0.806 1.000 1.000 CA 0.965 8 residues pruned to eliminate duplicates Z: 20 17.685 1.872 0.388 0.828 0.895 0.842 CA 1.314 Z: 51 38.765 2.051 0.684 0.679 0.920 0.480 CB 1.463 16 residues pruned to eliminate duplicates Z: 14 11.907 1.803 0.680 0.425 0.923 0.385 CB 1.277 Z: 23 15.176 2.006 0.423 0.392 0.864 0.591 CA 1.471 Z: 8 12.735 1.780 0.762 0.853 0.857 0.857 CA 1.323 8 residues pruned to eliminate duplicates Z: 24 18.271 2.069 0.595 0.447 0.870 0.522 CB 1.403 23 residues pruned to eliminate duplicates Z: 16 12.464 2.167 0.083 0.449 0.867 0.667 CB 1.668 16 residues pruned to eliminate duplicates Z: 14 11.818 1.953 0.589 0.457 0.846 0.615 CB 1.304 14 residues pruned to eliminate duplicates Z: 10 7.585 1.977 0.393 0.510 0.667 0.667 CB 1.364 10 residues pruned to eliminate duplicates Z: 20 15.350 2.049 0.394 0.488 0.947 0.632 CB 1.318 Z: 25 14.807 2.121 0.411 0.394 0.875 0.500 CB 1.290 19 residues pruned to eliminate duplicates Z: 22 35.080 2.097 0.807 0.858 0.952 0.524 CB 1.563 22 residues pruned to eliminate duplicates Z: 6 3.872 1.826 0.238 0.418 0.600 0.400 CB 1.391 Z: 6 10.024 2.007 0.455 0.479 1.000 0.600 CB 1.568 Z: 7 8.349 1.696 0.402 0.563 1.000 0.500 N 1.348 6 residues pruned to eliminate duplicates Z: 46 29.191 2.110 0.455 0.547 0.911 0.689 CA 1.487 26 residues pruned to eliminate duplicates Z: 20 14.956 2.083 0.378 0.395 0.895 0.474 CA 1.492 Z: 11 7.201 1.816 0.232 0.638 0.800 0.700 CB 1.118 Z: 54 30.657 2.150 0.542 0.495 0.868 0.698 CB 1.471 55 residues pruned to eliminate duplicates Z: 32 13.064 2.036 0.609 0.299 0.742 0.452 CB 1.208 29 residues pruned to eliminate duplicates Z: 32 19.372 1.985 0.561 0.480 0.774 0.484 CA 1.479 15 residues pruned to eliminate duplicates Z: 10 10.507 1.883 0.289 0.607 1.000 0.889 N 1.304 10 residues pruned to eliminate duplicates Z: 61 36.448 2.051 0.605 0.565 0.900 0.633 CA 1.492 61 residues pruned to eliminate duplicates Z: 17 23.343 2.121 0.303 0.863 1.000 0.562 CB 1.549 17 residues pruned to eliminate duplicates Z: 7 11.748 1.968 0.464 0.802 1.000 0.833 CA 1.279 8 residues pruned to eliminate duplicates Z: 20 17.148 2.125 0.748 0.364 0.842 0.684 CA 1.456 20 residues pruned to eliminate duplicates Z: 9 18.167 2.115 0.606 0.803 1.000 0.750 CA 1.452 8 residues pruned to eliminate duplicates Z: 16 16.334 1.955 0.761 0.560 0.933 0.467 CA 1.239 16 residues pruned to eliminate duplicates Z: 16 14.829 2.154 0.601 0.417 0.800 0.467 CB 1.514 19 residues pruned to eliminate duplicates Z: 19 21.200 1.973 0.365 0.868 0.889 0.611 CB 1.525 19 residues pruned to eliminate duplicates Z: 28 11.342 1.806 0.721 0.418 0.667 0.370 CB 1.147 31 residues pruned to eliminate duplicates Z: 21 37.065 2.189 0.767 0.890 1.000 0.650 CB 1.542 22 residues pruned to eliminate duplicates Z: 9 6.769 1.737 0.300 0.448 0.875 0.750 CB 1.278 Z: 9 11.238 2.063 0.422 0.665 0.875 0.625 CA 1.330 9 residues pruned to eliminate duplicates Z: 9 6.150 1.878 0.027 0.429 0.875 0.750 O 1.387 10 residues pruned to eliminate duplicates Z: 7 7.119 1.922 0.182 0.581 1.000 0.833 CA 1.184 Z: 46 31.084 2.140 0.488 0.581 0.889 0.733 CA 1.514 48 residues pruned to eliminate duplicates Z: 9 9.051 1.616 0.124 0.844 1.000 0.875 CA 1.310 9 residues pruned to eliminate duplicates Z: 14 14.519 2.119 0.519 0.595 0.846 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 52 37.090 2.041 0.718 0.671 0.922 0.569 CB 1.372 54 residues pruned to eliminate duplicates Z: 10 12.393 2.001 0.606 0.607 0.889 0.444 CB 1.307 Z: 57 27.532 2.015 0.602 0.504 0.857 0.554 CA 1.325 44 residues pruned to eliminate duplicates Z: 17 26.973 2.270 0.416 0.898 0.938 0.750 CB 1.601 17 residues pruned to eliminate duplicates Z: 32 20.157 2.071 0.643 0.414 0.806 0.516 CB 1.445 32 residues pruned to eliminate duplicates Z: 30 14.969 1.983 0.644 0.299 0.828 0.414 CB 1.289 6 residues pruned to eliminate duplicates Z: 22 13.580 1.899 0.348 0.387 1.000 0.571 CB 1.305 7 residues pruned to eliminate duplicates Z: 10 4.778 1.739 -0.035 0.331 0.778 0.444 CB 1.468 Z: 8 14.007 2.096 0.497 0.821 1.000 1.000 CA 1.277 9 residues pruned to eliminate duplicates Z: 24 13.524 2.052 0.425 0.366 0.783 0.609 CA 1.423 11 residues pruned to eliminate duplicates Z: 18 29.952 2.204 0.561 0.907 0.941 0.647 CB 1.594 18 residues pruned to eliminate duplicates Z: 12 9.060 2.063 0.591 0.259 0.818 0.273 CB 1.340 12 residues pruned to eliminate duplicates Z: 10 11.887 1.939 0.334 0.583 1.000 0.778 CB 1.414 Z: 24 15.874 2.044 0.536 0.463 0.870 0.522 CB 1.258 20 residues pruned to eliminate duplicates Z: 59 38.767 2.076 0.645 0.588 0.914 0.690 CA 1.499 59 residues pruned to eliminate duplicates Z: 20 25.737 2.147 0.320 0.898 0.947 0.684 CA 1.572 20 residues pruned to eliminate duplicates Z: 20 12.823 1.717 0.760 0.442 0.842 0.368 CB 1.228 20 residues pruned to eliminate duplicates Z: 21 40.612 2.120 1.023 0.936 1.000 0.550 CB 1.475 21 residues pruned to eliminate duplicates Z: 8 8.558 1.806 0.417 0.821 0.857 0.857 CA 1.117 8 residues pruned to eliminate duplicates Z: 20 9.309 1.898 0.318 0.294 0.842 0.474 CA 1.277 12 residues pruned to eliminate duplicates Z: 21 27.917 2.030 0.609 0.841 0.950 0.750 CB 1.500 21 residues pruned to eliminate duplicates Z: 21 28.376 2.078 0.490 0.886 0.950 0.650 CB 1.557 21 residues pruned to eliminate duplicates Z: 8 6.633 1.967 0.082 0.574 1.000 1.000 CB 1.096 8 residues pruned to eliminate duplicates Z: 6 5.028 1.800 -0.197 0.476 1.000 0.800 C 1.593 6 residues pruned to eliminate duplicates Z: 9 14.824 1.765 0.935 0.818 0.875 0.750 CA 1.330 9 residues pruned to eliminate duplicates Z: 13 6.758 1.833 0.169 0.431 0.667 0.583 CB 1.467 9 residues pruned to eliminate duplicates Z: 14 9.866 1.935 0.215 0.361 0.923 0.615 CB 1.466 14 residues pruned to eliminate duplicates Z: 9 7.069 1.863 0.303 0.523 0.875 0.750 CB 1.150 7 residues pruned to eliminate duplicates Z: 6 3.559 1.567 0.084 0.420 1.000 0.800 C 1.018 Z: 7 9.185 2.180 0.029 0.715 1.000 1.000 CA 1.377 7 residues pruned to eliminate duplicates Z: 20 14.893 2.079 0.290 0.401 0.947 0.474 CA 1.493 20 residues pruned to eliminate duplicates Z: 18 27.055 2.110 0.502 0.927 0.941 0.765 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 14.399 2.033 1.003 0.363 0.882 0.588 CA 1.127 18 residues pruned to eliminate duplicates Z: 52 24.607 2.033 0.588 0.491 0.784 0.490 CB 1.373 54 residues pruned to eliminate duplicates Z: 11 22.209 2.045 0.638 0.889 1.000 0.600 CB 1.510 11 residues pruned to eliminate duplicates Z: 16 27.090 2.211 0.584 0.910 1.000 0.733 CB 1.417 16 residues pruned to eliminate duplicates Z: 17 10.376 1.799 0.648 0.322 0.938 0.500 CB 1.135 17 residues pruned to eliminate duplicates Z: 8 5.067 1.721 0.096 0.486 0.857 0.286 CB 1.201 Z: 13 20.423 2.174 0.199 0.821 1.000 0.500 CB 1.713 13 residues pruned to eliminate duplicates Z: 14 4.737 1.794 0.170 0.363 0.846 0.769 CB 0.857 14 residues pruned to eliminate duplicates Z: 20 12.169 1.938 0.330 0.466 0.789 0.316 CB 1.420 Z: 25 17.876 1.936 0.512 0.477 0.875 0.583 CB 1.458 26 residues pruned to eliminate duplicates Z: 6 6.099 2.175 0.125 0.510 0.800 0.600 CA 1.380 6 residues pruned to eliminate duplicates Z: 12 18.490 2.033 0.417 0.854 1.000 0.818 CB 1.429 12 residues pruned to eliminate duplicates Z: 16 8.582 1.857 0.449 0.444 0.800 0.467 CB 1.090 16 residues pruned to eliminate duplicates Z: 9 12.846 1.694 0.660 0.669 1.000 0.250 CA 1.381 10 residues pruned to eliminate duplicates Z: 19 11.634 2.050 0.021 0.385 0.889 0.556 CB 1.667 15 residues pruned to eliminate duplicates Z: 29 19.869 2.162 0.711 0.395 0.857 0.571 CB 1.323 29 residues pruned to eliminate duplicates Z: 8 13.703 2.150 0.573 0.709 1.000 0.714 CA 1.267 8 residues pruned to eliminate duplicates Z: 25 22.586 2.058 0.462 0.582 0.917 0.792 CA 1.544 25 residues pruned to eliminate duplicates Z: 72 34.770 1.999 0.661 0.553 0.845 0.507 CB 1.397 64 residues pruned to eliminate duplicates Z: 65 29.172 2.018 0.513 0.468 0.828 0.500 CA 1.490 69 residues pruned to eliminate duplicates Z: 73 44.293 2.147 0.562 0.554 0.931 0.583 CB 1.587 58 residues pruned to eliminate duplicates Z: 6 3.115 1.656 0.398 0.671 0.800 0.800 CA 0.642 6 residues pruned to eliminate duplicates Z: 44 26.595 2.113 0.546 0.497 0.860 0.512 CB 1.447 44 residues pruned to eliminate duplicates Z: 12 8.320 1.789 0.251 0.583 0.818 0.545 CB 1.265 Z: 8 7.869 1.941 0.241 0.555 0.857 0.571 CB 1.365 8 residues pruned to eliminate duplicates Z: 10 12.440 1.864 0.567 0.727 0.889 0.889 CA 1.302 9 residues pruned to eliminate duplicates Z: 10 6.916 1.787 0.215 0.423 0.889 0.444 CB 1.294 10 residues pruned to eliminate duplicates Z: 10 8.578 1.873 0.941 0.524 0.778 0.667 CB 0.988 10 residues pruned to eliminate duplicates Z: 16 22.485 2.067 0.244 0.889 0.933 0.533 CB 1.741 16 residues pruned to eliminate duplicates Z: 7 5.909 1.772 0.203 0.408 0.833 0.500 CA 1.495 6 residues pruned to eliminate duplicates Z: 7 4.482 1.553 0.465 0.309 0.833 0.333 CB 1.193 Z: 11 8.049 1.571 0.159 0.707 0.900 0.200 O 1.286 11 residues pruned to eliminate duplicates Z: 8 8.613 1.813 0.738 0.496 0.714 0.429 N 1.452 8 residues pruned to eliminate duplicates Z: 29 15.685 1.970 0.297 0.426 0.929 0.679 CA 1.349 30 residues pruned to eliminate duplicates Z: 9 11.800 1.733 0.548 0.862 1.000 0.750 CB 1.142 9 residues pruned to eliminate duplicates Z: 20 15.271 1.779 0.292 0.884 1.000 0.632 CA 1.101 20 residues pruned to eliminate duplicates Z: 20 27.542 2.054 0.435 0.897 1.000 0.737 CB 1.535 20 residues pruned to eliminate duplicates Z: 22 23.834 1.938 0.237 0.928 1.000 0.762 CB 1.519 22 residues pruned to eliminate duplicates Z: 33 23.900 2.083 0.559 0.431 0.875 0.469 CB 1.598 33 residues pruned to eliminate duplicates Z: 17 30.701 1.981 0.803 0.904 0.938 0.625 CB 1.633 17 residues pruned to eliminate duplicates Z: 36 15.660 1.894 0.381 0.387 0.857 0.543 CA 1.331 22 residues pruned to eliminate duplicates Z: 63 28.465 1.986 0.484 0.520 0.919 0.613 CA 1.307 29 residues pruned to eliminate duplicates Z: 10 3.051 1.627 0.454 0.276 0.556 0.333 N 0.997 10 residues pruned to eliminate duplicates Z: 9 6.990 1.689 0.130 0.857 0.875 0.625 CA 1.090 9 residues pruned to eliminate duplicates Z: 6 6.656 1.553 0.147 0.882 1.000 0.800 CA 1.210 Z: 19 17.746 1.799 0.689 0.574 0.889 0.500 CA 1.442 19 residues pruned to eliminate duplicates Z: 22 12.672 1.961 0.206 0.403 0.905 0.571 CB 1.432 22 residues pruned to eliminate duplicates Z: 26 22.011 2.186 0.703 0.436 0.920 0.560 CB 1.373 26 residues pruned to eliminate duplicates Z: 12 9.731 1.930 0.192 0.507 0.909 0.636 CA 1.394 12 residues pruned to eliminate duplicates Z: 10 13.242 2.031 0.263 0.642 1.000 0.778 CB 1.508 12 residues pruned to eliminate duplicates Z: 16 26.388 2.123 0.515 0.880 0.933 0.733 CB 1.645 16 residues pruned to eliminate duplicates Z: 12 20.352 1.748 0.976 0.909 1.000 0.636 CA 1.261 13 residues pruned to eliminate duplicates Z: 24 10.776 1.867 0.233 0.408 0.783 0.565 CB 1.374 24 residues pruned to eliminate duplicates Z: 48 28.219 2.132 0.602 0.416 0.936 0.553 CB 1.406 32 residues pruned to eliminate duplicates Z: 21 16.488 2.050 0.747 0.380 0.800 0.450 CB 1.463 21 residues pruned to eliminate duplicates Z: 20 37.438 2.224 0.749 0.909 1.000 0.789 CB 1.567 20 residues pruned to eliminate duplicates Z: 8 7.026 1.839 0.373 0.560 0.714 0.714 N 1.389 8 residues pruned to eliminate duplicates Z: 28 11.924 1.974 0.227 0.377 0.815 0.556 CB 1.326 28 residues pruned to eliminate duplicates Z: 10 8.399 1.802 0.452 0.450 0.889 0.556 CB 1.267 10 residues pruned to eliminate duplicates Z: 15 10.744 1.756 0.589 0.439 0.857 0.643 CB 1.279 15 residues pruned to eliminate duplicates Z: 27 8.084 1.703 0.540 0.226 0.654 0.385 CB 1.274 27 residues pruned to eliminate duplicates Z: 12 5.487 1.992 -0.135 0.410 0.818 0.636 CA 1.290 Z: 6 4.131 1.690 -0.370 0.749 1.000 0.800 CB 1.388 Z: 11 9.392 1.630 0.626 0.521 0.900 0.800 CA 1.219 7 residues pruned to eliminate duplicates Z: 28 21.688 2.084 0.537 0.541 0.815 0.593 CA 1.536 28 residues pruned to eliminate duplicates Z: 7 9.563 2.130 0.164 0.757 1.000 0.833 CA 1.253 7 residues pruned to eliminate duplicates Z: 18 21.150 2.007 0.475 0.910 1.000 0.882 CB 1.229 15 residues pruned to eliminate duplicates Z: 12 10.927 2.137 0.210 0.404 0.818 0.636 CB 1.723 12 residues pruned to eliminate duplicates Z: 7 8.552 1.858 -0.079 0.817 1.000 0.667 N 1.550 7 residues pruned to eliminate duplicates Z: 6 2.098 1.568 -0.019 0.378 0.600 0.600 CB 1.158 Z: 30 14.322 1.921 0.309 0.403 0.931 0.552 CA 1.257 30 residues pruned to eliminate duplicates Z: 6 9.731 1.898 0.516 0.737 1.000 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 65 38.159 2.019 0.623 0.583 0.969 0.609 CA 1.388 65 residues pruned to eliminate duplicates Z: 14 10.905 1.984 0.369 0.345 0.846 0.538 CA 1.557 14 residues pruned to eliminate duplicates Z: 11 15.908 1.793 0.525 0.852 1.000 0.600 CB 1.361 11 residues pruned to eliminate duplicates Z: 51 28.166 2.021 0.411 0.540 0.900 0.660 CA 1.492 51 residues pruned to eliminate duplicates Z: 8 12.427 1.854 0.287 0.801 1.000 0.429 CA 1.513 11 residues pruned to eliminate duplicates Z: 21 13.317 1.847 0.580 0.385 0.850 0.500 CB 1.357 17 residues pruned to eliminate duplicates Z: 10 11.993 1.906 0.521 0.698 0.889 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 7 4.617 1.674 0.211 0.422 1.000 0.500 CB 1.008 7 residues pruned to eliminate duplicates Z: 8 5.324 2.062 0.308 0.330 0.714 0.714 CA 1.259 9 residues pruned to eliminate duplicates Z: 15 16.953 1.802 0.626 0.853 0.929 0.571 CA 1.231 15 residues pruned to eliminate duplicates Z: 24 13.173 1.983 0.498 0.380 0.739 0.478 CA 1.423 24 residues pruned to eliminate duplicates Z: 25 14.077 1.954 0.459 0.377 0.875 0.500 CB 1.313 25 residues pruned to eliminate duplicates Z: 13 9.361 1.748 0.558 0.499 0.833 0.500 CB 1.192 Z: 7 6.837 1.953 0.332 0.571 0.833 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 7 11.057 2.079 0.045 0.681 1.000 0.667 C 1.761 7 residues pruned to eliminate duplicates Z: 25 24.368 2.111 0.269 0.726 0.958 0.792 CB 1.580 24 residues pruned to eliminate duplicates Z: 27 13.772 1.843 0.395 0.458 0.846 0.615 CB 1.296 27 residues pruned to eliminate duplicates Z: 11 19.262 2.183 0.197 0.912 1.000 0.700 CA 1.651 11 residues pruned to eliminate duplicates Z: 11 12.251 2.169 -0.080 0.852 0.900 0.800 CB 1.594 11 residues pruned to eliminate duplicates Z: 14 12.605 1.953 0.412 0.501 0.846 0.615 CA 1.498 13 residues pruned to eliminate duplicates Z: 6 3.719 1.511 0.769 0.300 0.600 0.600 CA 1.297 4 residues pruned to eliminate duplicates Z: 42 29.058 2.108 0.402 0.602 0.902 0.756 CA 1.543 42 residues pruned to eliminate duplicates Z: 11 7.187 1.971 0.250 0.319 0.800 0.500 CB 1.408 Z: 17 11.484 2.032 -0.063 0.869 1.000 0.750 CB 1.102 17 residues pruned to eliminate duplicates Z: 10 10.847 1.853 0.533 0.650 1.000 0.889 CA 1.107 10 residues pruned to eliminate duplicates 8 1.329 1.585 0.029 0.262 0.571 0.429 CB 0.707 ? Z: 6 5.058 1.898 -0.091 0.827 0.800 0.400 CA 1.235 6 residues pruned to eliminate duplicates Z: 18 10.576 2.001 0.195 0.428 0.765 0.588 CB 1.511 17 residues pruned to eliminate duplicates Z: 12 23.542 2.093 0.690 0.817 0.909 0.818 CA 1.677 12 residues pruned to eliminate duplicates Z: 16 11.970 1.974 0.249 0.498 0.933 0.733 CA 1.345 15 residues pruned to eliminate duplicates Z: 19 24.006 1.887 0.778 0.896 1.000 0.389 CA 1.208 19 residues pruned to eliminate duplicates Z: 9 10.014 2.006 0.554 0.855 0.625 0.250 CA 1.341 9 residues pruned to eliminate duplicates Z: 12 10.011 1.798 0.516 0.500 0.909 0.545 CB 1.217 10 residues pruned to eliminate duplicates Z: 43 16.053 1.944 0.282 0.348 0.881 0.690 CA 1.330 46 residues pruned to eliminate duplicates Z: 9 6.358 1.819 0.230 0.479 0.750 0.500 CB 1.368 9 residues pruned to eliminate duplicates Z: 48 27.142 2.112 0.549 0.388 0.894 0.574 CB 1.525 48 residues pruned to eliminate duplicates Z: 21 28.856 2.022 0.723 0.916 0.900 0.500 CB 1.454 21 residues pruned to eliminate duplicates Z: 38 27.273 2.043 0.643 0.524 0.838 0.459 CA 1.558 37 residues pruned to eliminate duplicates 7 1.776 1.540 0.165 0.393 0.667 0.333 CA 0.679 ? Z: 37 22.860 2.060 0.565 0.484 0.833 0.639 CB 1.442 37 residues pruned to eliminate duplicates Z: 10 12.758 2.075 0.148 0.632 0.889 0.667 N 1.774 12 residues pruned to eliminate duplicates Z: 17 38.058 2.240 0.818 0.920 1.000 0.688 CB 1.646 17 residues pruned to eliminate duplicates Z: 16 23.192 2.183 0.394 0.906 0.933 0.667 CB 1.499 16 residues pruned to eliminate duplicates Z: 15 15.835 1.979 0.668 0.424 0.929 0.500 CA 1.494 15 residues pruned to eliminate duplicates Z: 23 29.568 1.959 0.806 0.855 0.909 0.591 CA 1.446 23 residues pruned to eliminate duplicates Z: 24 16.002 2.003 0.436 0.589 0.913 0.609 CB 1.167 24 residues pruned to eliminate duplicates Z: 20 25.317 2.053 0.509 0.922 0.895 0.474 CB 1.473 20 residues pruned to eliminate duplicates Z: 17 24.585 2.061 0.417 0.910 0.938 0.688 CB 1.592 17 residues pruned to eliminate duplicates Z: 12 12.554 1.840 0.679 0.564 0.818 0.727 CB 1.408 5 residues pruned to eliminate duplicates Z: 7 2.233 1.520 0.244 0.505 0.667 0.333 N 0.719 Z: 28 13.199 1.809 0.402 0.460 0.852 0.556 CB 1.225 28 residues pruned to eliminate duplicates Z: 21 14.302 1.860 0.344 0.465 1.000 0.600 CA 1.326 21 residues pruned to eliminate duplicates Z: 27 17.382 2.132 0.508 0.451 0.769 0.346 CB 1.450 27 residues pruned to eliminate duplicates Z: 26 14.122 2.021 0.414 0.432 0.880 0.480 CB 1.205 26 residues pruned to eliminate duplicates Z: 71 40.820 2.121 0.549 0.526 0.929 0.586 CB 1.559 70 residues pruned to eliminate duplicates Z: 19 14.886 2.019 0.504 0.457 0.944 0.556 CA 1.278 19 residues pruned to eliminate duplicates Z: 8 9.253 1.977 0.327 0.587 1.000 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 19 29.125 2.112 0.497 0.936 1.000 0.667 CB 1.511 19 residues pruned to eliminate duplicates Z: 6 8.921 1.848 0.339 0.835 1.000 1.000 CB 1.208 6 residues pruned to eliminate duplicates Z: 46 20.114 1.888 0.475 0.424 0.844 0.622 CB 1.379 46 residues pruned to eliminate duplicates Z: 6 4.973 1.734 1.124 0.681 0.600 0.600 CB 0.852 Z: 13 6.568 1.782 0.218 0.313 0.833 0.500 CA 1.289 13 residues pruned to eliminate duplicates Z: 15 10.859 2.184 0.079 0.426 0.786 0.500 CB 1.692 15 residues pruned to eliminate duplicates Z: 7 10.725 1.874 1.008 0.352 1.000 0.333 CB 1.366 7 residues pruned to eliminate duplicates Z: 44 24.462 2.073 0.513 0.493 0.860 0.442 CB 1.392 44 residues pruned to eliminate duplicates Z: 13 20.129 2.102 0.574 0.665 1.000 0.500 CA 1.508 13 residues pruned to eliminate duplicates Z: 8 10.179 1.796 0.732 0.479 1.000 0.714 CB 1.263 Z: 16 20.191 2.095 0.513 0.902 1.000 0.667 CB 1.173 16 residues pruned to eliminate duplicates Z: 13 11.280 2.045 0.418 0.446 0.750 0.667 CA 1.583 13 residues pruned to eliminate duplicates Z: 6 3.778 1.483 -0.028 0.494 1.000 0.800 O 1.179 Z: 8 6.519 1.661 0.783 0.457 0.714 0.571 N 1.216 8 residues pruned to eliminate duplicates Z: 18 14.476 1.998 -0.043 0.883 0.941 0.765 CB 1.411 17 residues pruned to eliminate duplicates Z: 6 8.207 1.828 0.429 0.833 1.000 1.000 CA 1.054 6 residues pruned to eliminate duplicates Z: 14 7.910 1.788 0.261 0.468 0.769 0.692 CA 1.306 14 residues pruned to eliminate duplicates Z: 11 9.479 1.918 0.455 0.514 0.900 0.900 CB 1.176 11 residues pruned to eliminate duplicates Z: 19 13.693 1.822 0.571 0.486 1.000 0.611 CB 1.143 26 residues pruned to eliminate duplicates Z: 12 13.488 1.937 0.679 0.459 1.000 0.727 CB 1.304 16 residues pruned to eliminate duplicates Z: 23 19.120 1.795 0.565 0.861 1.000 0.591 CA 1.066 23 residues pruned to eliminate duplicates Z: 19 25.607 2.075 0.466 0.887 1.000 0.611 CB 1.430 17 residues pruned to eliminate duplicates Z: 16 8.017 1.654 0.315 0.507 0.867 0.667 CA 1.090 16 residues pruned to eliminate duplicates Z: 36 19.702 2.077 0.433 0.386 0.800 0.429 CB 1.579 35 residues pruned to eliminate duplicates Z: 16 5.431 1.506 0.412 0.196 0.800 0.400 CB 1.185 16 residues pruned to eliminate duplicates Z: 8 3.341 1.825 -0.244 0.421 0.857 0.286 CB 1.160 8 residues pruned to eliminate duplicates Z: 15 11.666 1.913 0.361 0.490 0.929 0.714 CA 1.302 15 residues pruned to eliminate duplicates Z: 12 15.930 2.161 0.339 0.474 1.000 0.545 CB 1.705 12 residues pruned to eliminate duplicates Z: 7 3.943 1.876 -0.083 0.450 0.667 0.333 N 1.476 Z: 64 39.007 2.032 0.708 0.607 0.905 0.460 CB 1.413 64 residues pruned to eliminate duplicates 6 1.273 1.283 -0.285 0.467 1.000 1.000 CB 0.641 ? Z: 20 15.070 1.816 0.342 0.898 0.947 0.684 CA 1.072 20 residues pruned to eliminate duplicates Z: 8 8.479 1.826 0.127 0.786 0.857 0.714 CA 1.413 8 residues pruned to eliminate duplicates Z: 7 15.093 2.155 0.643 0.767 1.000 0.833 CA 1.373 7 residues pruned to eliminate duplicates Z: 53 31.181 1.989 0.488 0.615 0.923 0.692 CB 1.419 30 residues pruned to eliminate duplicates Z: 16 11.745 1.827 0.753 0.381 0.733 0.533 CB 1.465 13 residues pruned to eliminate duplicates Z: 16 12.909 1.958 0.436 0.568 0.867 0.467 CB 1.281 11 residues pruned to eliminate duplicates Z: 15 11.146 1.917 0.523 0.470 0.857 0.571 CB 1.227 15 residues pruned to eliminate duplicates Z: 45 22.288 2.019 0.684 0.394 0.864 0.477 CB 1.280 45 residues pruned to eliminate duplicates Z: 16 11.649 2.093 0.383 0.325 0.867 0.467 CA 1.453 16 residues pruned to eliminate duplicates Z: 6 7.074 1.488 0.466 0.831 1.000 0.600 CA 1.090 Z: 22 16.828 1.983 0.478 0.641 0.857 0.429 CB 1.282 22 residues pruned to eliminate duplicates Z: 9 12.928 1.775 0.480 0.834 1.000 0.750 CA 1.304 Z: 11 9.160 1.726 0.590 0.421 0.900 0.400 CB 1.272 11 residues pruned to eliminate duplicates Z: 13 6.131 1.702 0.532 0.374 0.750 0.333 CB 1.035 13 residues pruned to eliminate duplicates Z: 12 3.945 1.649 0.100 0.463 0.818 0.364 CB 0.832 12 residues pruned to eliminate duplicates Z: 14 8.837 2.002 0.210 0.416 0.846 0.538 CA 1.304 14 residues pruned to eliminate duplicates Z: 8 5.057 1.398 0.504 0.462 1.000 0.714 CB 0.946 Z: 8 11.816 2.105 0.255 0.693 1.000 1.000 CA 1.417 8 residues pruned to eliminate duplicates Z: 16 9.169 1.791 0.360 0.441 0.933 0.533 CA 1.106 16 residues pruned to eliminate duplicates Z: 22 30.052 2.008 0.733 0.881 0.905 0.476 CB 1.509 22 residues pruned to eliminate duplicates Z: 18 34.321 2.237 0.854 0.901 0.941 0.588 CA 1.522 18 residues pruned to eliminate duplicates Z: 19 20.203 1.916 0.761 0.856 0.889 0.278 CB 1.170 19 residues pruned to eliminate duplicates Z: 36 14.055 1.890 0.337 0.384 0.857 0.543 CB 1.241 36 residues pruned to eliminate duplicates Z: 6 2.486 1.736 0.340 0.542 0.800 0.600 CB 0.573 Z: 21 25.533 2.088 0.557 0.828 0.900 0.450 CB 1.469 21 residues pruned to eliminate duplicates Z: 20 29.467 2.123 0.455 0.912 1.000 0.632 CB 1.549 20 residues pruned to eliminate duplicates Z: 38 23.557 2.029 0.587 0.493 0.784 0.541 CA 1.545 38 residues pruned to eliminate duplicates 6 1.092 1.277 0.267 0.292 0.800 0.600 CB 0.476 ? Z: 21 29.847 2.027 0.774 0.908 0.950 0.600 CB 1.388 21 residues pruned to eliminate duplicates Z: 34 19.366 2.122 0.552 0.394 0.818 0.576 CB 1.400 34 residues pruned to eliminate duplicates Z: 9 11.379 2.123 0.272 0.553 0.875 0.625 CA 1.616 9 residues pruned to eliminate duplicates Z: 12 11.241 2.016 0.297 0.413 0.909 0.364 CA 1.563 12 residues pruned to eliminate duplicates Z: 8 14.383 2.011 0.556 0.824 1.000 0.571 CA 1.312 8 residues pruned to eliminate duplicates Z: 24 17.913 2.088 0.533 0.536 0.826 0.478 CB 1.364 24 residues pruned to eliminate duplicates Z: 11 12.902 1.992 0.515 0.511 1.000 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 9 5.322 1.683 0.012 0.809 0.875 0.750 CB 0.965 Z: 16 7.263 1.687 0.465 0.318 0.867 0.400 CB 1.069 16 residues pruned to eliminate duplicates Z: 16 16.553 1.869 0.843 0.511 0.800 0.533 CA 1.535 16 residues pruned to eliminate duplicates Z: 10 4.132 1.641 -0.015 0.552 0.778 0.444 CB 1.042 Z: 9 11.830 2.055 0.360 0.741 0.875 0.750 CB 1.378 9 residues pruned to eliminate duplicates Z: 7 5.417 1.870 0.294 0.627 0.833 0.833 CB 0.973 7 residues pruned to eliminate duplicates Z: 8 6.395 1.772 -0.059 0.732 1.000 0.714 CB 1.176 9 residues pruned to eliminate duplicates Z: 9 9.167 1.943 1.018 0.479 0.875 0.625 CA 0.965 9 residues pruned to eliminate duplicates Z: 6 2.714 1.689 0.175 0.671 1.000 1.000 CB 0.523 Z: 20 27.846 2.072 0.669 0.872 0.842 0.316 CB 1.599 20 residues pruned to eliminate duplicates Z: 14 6.239 1.600 0.299 0.291 0.846 0.538 CB 1.244 14 residues pruned to eliminate duplicates Z: 8 18.112 1.999 0.848 0.644 1.000 0.857 CB 1.620 8 residues pruned to eliminate duplicates Z: 6 4.976 1.657 -0.119 0.652 1.000 0.600 CB 1.323 Z: 26 10.459 1.852 0.138 0.432 0.920 0.600 CB 1.158 26 residues pruned to eliminate duplicates Z: 8 5.005 1.774 0.622 0.348 0.714 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 13 6.093 1.659 0.336 0.409 0.750 0.500 CB 1.164 13 residues pruned to eliminate duplicates Z: 8 9.643 1.768 0.841 0.463 0.857 0.714 CB 1.357 8 residues pruned to eliminate duplicates Z: 9 3.034 1.316 0.208 0.492 0.750 0.625 CB 0.907 Z: 17 12.791 1.903 0.327 0.569 0.938 0.625 CB 1.264 17 residues pruned to eliminate duplicates Z: 10 10.847 1.745 0.584 0.685 0.889 0.556 CB 1.243 8 residues pruned to eliminate duplicates Z: 13 7.667 1.722 0.556 0.344 0.750 0.500 CB 1.305 13 residues pruned to eliminate duplicates Z: 26 13.080 1.871 0.495 0.398 0.760 0.640 CB 1.371 26 residues pruned to eliminate duplicates Z: 7 2.907 1.759 0.579 0.249 0.500 0.333 CA 1.141 7 residues pruned to eliminate duplicates Z: 10 4.253 1.515 0.256 0.335 0.778 0.444 N 1.148 Z: 6 4.603 1.448 1.482 0.259 0.800 0.400 CB 0.944 Z: 7 3.903 1.661 0.510 0.410 0.833 0.833 CB 0.838 Z: 6 4.302 1.523 0.390 0.485 0.800 0.400 O 1.154 Z: 24 13.882 1.942 0.359 0.444 0.913 0.696 CB 1.273 24 residues pruned to eliminate duplicates Z: 6 3.632 1.563 0.073 0.553 1.000 0.600 CB 0.919 Z: 9 6.546 1.949 0.219 0.355 0.875 0.750 CB 1.302 9 residues pruned to eliminate duplicates 8 1.999 1.503 0.396 0.396 0.429 0.429 CB 0.937 ? Z: 8 6.719 1.740 0.301 0.847 0.857 0.714 CB 0.972 8 residues pruned to eliminate duplicates Z: 30 18.710 2.116 0.536 0.463 0.862 0.621 CB 1.288 39 residues pruned to eliminate duplicates Z: 17 14.949 2.022 0.548 0.464 0.812 0.688 CA 1.524 17 residues pruned to eliminate duplicates Z: 14 15.576 1.985 0.627 0.527 0.846 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 20 15.560 2.065 0.495 0.414 0.895 0.737 CA 1.414 20 residues pruned to eliminate duplicates Z: 25 18.936 2.050 0.549 0.510 0.792 0.625 CA 1.522 25 residues pruned to eliminate duplicates Z: 7 4.031 1.505 0.256 0.470 0.833 0.333 CB 1.077 Z: 12 14.653 1.782 0.452 0.804 1.000 0.545 CA 1.309 12 residues pruned to eliminate duplicates Z: 31 15.993 1.975 0.455 0.500 0.900 0.467 CB 1.129 31 residues pruned to eliminate duplicates Z: 10 13.982 2.020 0.718 0.892 1.000 0.889 CB 0.965 10 residues pruned to eliminate duplicates Z: 11 12.635 1.832 0.575 0.556 0.900 0.700 C 1.458 12 residues pruned to eliminate duplicates Z: 21 28.487 2.083 0.507 0.767 0.950 0.700 CB 1.686 21 residues pruned to eliminate duplicates Z: 28 14.535 1.915 0.340 0.403 0.926 0.630 CB 1.304 28 residues pruned to eliminate duplicates Z: 10 12.489 1.691 0.720 0.859 1.000 0.778 CB 1.053 Z: 8 12.283 1.942 0.497 0.891 1.000 0.286 CB 1.148 8 residues pruned to eliminate duplicates Z: 18 7.133 1.790 0.133 0.290 0.882 0.412 CB 1.224 18 residues pruned to eliminate duplicates Z: 16 9.971 1.878 0.197 0.427 0.933 0.467 CA 1.323 15 residues pruned to eliminate duplicates Z: 16 7.109 1.764 0.247 0.418 0.800 0.333 CB 1.136 7 residues pruned to eliminate duplicates Z: 10 10.452 1.813 0.669 0.695 0.889 0.667 CA 1.084 10 residues pruned to eliminate duplicates Z: 9 9.621 1.898 0.209 0.858 1.000 0.875 CA 1.092 9 residues pruned to eliminate duplicates Z: 6 2.032 1.440 0.066 0.453 1.000 1.000 CB 0.621 Z: 29 22.279 2.033 0.335 0.631 0.893 0.786 CB 1.536 29 residues pruned to eliminate duplicates Z: 7 12.556 1.963 0.402 0.847 0.833 0.333 CA 1.660 7 residues pruned to eliminate duplicates Z: 9 4.867 1.851 0.493 0.300 0.625 0.500 CA 1.245 8 residues pruned to eliminate duplicates Z: 18 28.613 2.110 0.541 0.914 0.941 0.706 CB 1.604 18 residues pruned to eliminate duplicates Z: 23 16.990 2.007 0.620 0.503 0.909 0.545 CB 1.223 23 residues pruned to eliminate duplicates Z: 14 9.099 1.918 0.283 0.555 0.769 0.462 CB 1.263 14 residues pruned to eliminate duplicates Z: 6 6.135 1.385 0.460 0.869 1.000 1.000 O 0.991 6 residues pruned to eliminate duplicates 7 1.395 1.350 0.188 0.098 0.833 0.667 CA 0.713 ? Z: 7 4.197 1.574 0.080 0.625 0.833 0.500 CB 1.076 Z: 9 5.769 1.584 0.364 0.414 0.875 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 21 14.401 1.931 0.412 0.485 0.900 0.750 CB 1.332 21 residues pruned to eliminate duplicates Z: 10 5.703 1.857 -0.033 0.527 1.000 0.778 CB 1.031 10 residues pruned to eliminate duplicates Z: 6 3.494 1.650 0.613 0.324 0.800 0.400 CB 0.891 Z: 12 9.317 1.575 0.499 0.448 1.000 0.636 CA 1.254 12 residues pruned to eliminate duplicates Z: 16 14.055 1.796 0.251 0.847 0.867 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 7 4.230 1.600 0.579 0.393 0.667 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 6 5.663 1.743 -0.176 0.768 1.000 0.800 O 1.390 9 residues pruned to eliminate duplicates Z: 23 16.378 2.017 0.604 0.529 0.864 0.500 CB 1.214 23 residues pruned to eliminate duplicates Z: 6 5.650 1.598 0.589 0.673 1.000 0.800 CB 0.848 Z: 20 11.166 1.824 0.284 0.427 0.895 0.789 CB 1.319 20 residues pruned to eliminate duplicates Z: 7 4.481 1.757 -0.328 0.663 1.000 0.500 N 1.333 Z: 10 4.764 1.781 0.107 0.497 0.889 0.778 CB 0.908 10 residues pruned to eliminate duplicates Z: 7 6.422 1.592 0.026 0.803 1.000 0.833 C 1.233 Z: 9 3.363 1.394 0.223 0.284 0.875 0.250 C 1.017 6 residues pruned to eliminate duplicates Z: 8 5.167 1.688 0.184 0.634 0.857 0.714 CB 1.005 Z: 9 5.756 1.840 0.062 0.659 1.000 0.875 CB 0.899 9 residues pruned to eliminate duplicates Z: 24 12.484 1.982 0.245 0.366 0.826 0.522 CA 1.475 24 residues pruned to eliminate duplicates Z: 6 3.316 1.368 -0.048 0.818 1.000 0.600 N 0.865 Z: 13 12.385 2.023 0.562 0.389 0.833 0.583 CA 1.527 13 residues pruned to eliminate duplicates Z: 23 35.491 1.972 0.887 0.826 1.000 0.500 CA 1.534 23 residues pruned to eliminate duplicates Z: 32 24.999 2.041 0.640 0.507 0.871 0.452 CB 1.530 32 residues pruned to eliminate duplicates Z: 10 7.774 1.856 0.499 0.461 0.667 0.444 CA 1.454 10 residues pruned to eliminate duplicates Z: 9 2.654 1.525 0.363 0.412 0.750 0.500 CB 0.660 Z: 9 4.592 1.578 -0.122 0.629 1.000 0.500 CA 1.039 6 residues pruned to eliminate duplicates Z: 8 3.404 1.588 0.349 0.474 0.714 0.429 CB 0.863 Z: 7 6.148 1.736 0.814 0.601 1.000 0.500 CB 0.724 Z: 30 14.229 1.854 0.606 0.357 0.793 0.379 CB 1.306 33 residues pruned to eliminate duplicates Z: 7 2.827 1.329 0.410 0.342 1.000 0.500 CA 0.732 Z: 10 4.296 1.423 0.288 0.367 0.889 0.556 CA 1.014 6 1.780 1.214 0.375 0.310 0.800 0.400 CB 0.736 ? Z: 18 9.151 1.979 0.143 0.292 0.941 0.706 CB 1.316 18 residues pruned to eliminate duplicates Z: 11 9.365 1.873 0.460 0.423 0.800 0.300 CA 1.466 11 residues pruned to eliminate duplicates Z: 58 29.849 2.075 0.603 0.513 0.825 0.579 CB 1.422 58 residues pruned to eliminate duplicates Z: 8 6.590 1.984 0.354 0.589 0.857 0.571 CB 0.994 9 residues pruned to eliminate duplicates Z: 19 11.242 2.058 0.273 0.328 0.833 0.500 CB 1.466 19 residues pruned to eliminate duplicates Z: 8 3.284 1.398 0.650 0.345 0.714 0.429 CB 0.891 Z: 20 11.386 1.915 0.280 0.319 0.842 0.421 CB 1.544 20 residues pruned to eliminate duplicates Z: 7 7.804 1.711 0.484 0.634 1.000 0.833 CA 1.106 14 residues pruned to eliminate duplicates Z: 7 2.600 1.713 -0.226 0.392 0.667 0.333 CB 1.348 7 residues pruned to eliminate duplicates Z: 35 14.161 1.956 0.398 0.410 0.794 0.412 CB 1.228 35 residues pruned to eliminate duplicates Z: 6 3.207 1.519 0.126 0.379 0.800 0.400 CA 1.193 Z: 7 7.520 1.523 0.363 0.844 1.000 0.667 O 1.100 6 residues pruned to eliminate duplicates Z: 8 6.832 1.848 0.000 0.528 1.000 0.571 CB 1.359 Z: 6 2.743 1.229 0.895 0.448 0.800 0.400 CB 0.695 Z: 13 14.585 2.173 0.642 0.881 0.833 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 7 2.469 1.452 0.449 0.306 0.500 0.333 O 1.189 Z: 9 4.239 1.868 -0.189 0.524 0.875 0.500 CB 1.104 9 residues pruned to eliminate duplicates Z: 6 5.511 1.441 0.367 0.770 0.800 0.400 O 1.231 6 1.541 1.425 -0.100 0.298 0.800 0.600 CB 0.842 ? Z: 16 12.154 2.061 0.212 0.427 0.800 0.667 CA 1.693 16 residues pruned to eliminate duplicates Z: 20 24.137 2.036 0.540 0.700 0.895 0.632 CB 1.645 20 residues pruned to eliminate duplicates Z: 33 15.666 1.850 0.463 0.513 0.906 0.594 CB 1.114 33 residues pruned to eliminate duplicates Z: 20 11.277 1.823 0.403 0.483 0.789 0.474 CB 1.303 21 residues pruned to eliminate duplicates Z: 23 15.888 1.821 0.668 0.502 0.909 0.545 CB 1.224 23 residues pruned to eliminate duplicates Z: 16 16.860 1.865 0.655 0.488 0.933 0.600 CB 1.530 17 residues pruned to eliminate duplicates Z: 26 13.370 1.903 0.799 0.356 0.760 0.480 CB 1.200 26 residues pruned to eliminate duplicates Z: 10 3.066 1.386 0.393 0.396 0.667 0.444 N 0.886 Z: 12 13.215 1.940 0.789 0.546 0.909 0.636 CA 1.208 12 residues pruned to eliminate duplicates Z: 6 2.629 1.694 -0.003 0.474 0.600 0.600 C 1.191 6 residues pruned to eliminate duplicates Z: 8 4.098 1.539 0.525 0.461 0.714 0.571 C 0.962 6 1.573 1.545 0.053 0.263 0.800 0.200 CB 0.709 ? Z: 6 3.444 1.761 -0.383 0.444 1.000 0.400 N 1.502 6 residues pruned to eliminate duplicates Z: 20 20.920 2.003 0.531 0.914 0.947 0.526 CB 1.168 20 residues pruned to eliminate duplicates Z: 30 16.880 2.034 0.687 0.442 0.759 0.552 CA 1.279 30 residues pruned to eliminate duplicates Z: 30 18.913 2.108 0.741 0.405 0.793 0.483 CB 1.334 30 residues pruned to eliminate duplicates Z: 23 15.586 2.024 0.107 0.612 0.909 0.818 CB 1.467 23 residues pruned to eliminate duplicates Z: 25 12.595 1.848 0.564 0.353 0.833 0.417 CB 1.252 25 residues pruned to eliminate duplicates Z: 28 15.066 2.014 0.350 0.361 0.889 0.370 CB 1.393 28 residues pruned to eliminate duplicates Z: 10 9.839 2.036 0.302 0.372 1.000 0.556 CB 1.418 10 residues pruned to eliminate duplicates Z: 6 3.716 1.875 -0.146 0.407 1.000 0.800 CB 1.143 6 residues pruned to eliminate duplicates Z: 45 22.308 2.079 0.454 0.473 0.818 0.455 CB 1.398 45 residues pruned to eliminate duplicates Z: 27 34.054 2.156 0.491 0.775 0.962 0.808 CB 1.695 27 residues pruned to eliminate duplicates Z: 22 15.583 1.779 0.545 0.559 0.810 0.667 CA 1.443 22 residues pruned to eliminate duplicates Z: 8 9.135 1.746 0.852 0.405 1.000 0.714 CB 1.180 7 residues pruned to eliminate duplicates Z: 19 17.196 2.111 0.759 0.357 0.944 0.611 CA 1.348 19 residues pruned to eliminate duplicates Z: 8 3.599 1.613 -0.192 0.504 1.000 0.429 CB 1.040 8 residues pruned to eliminate duplicates Z: 7 4.147 1.104 0.549 0.811 1.000 0.500 N 0.755 Z: 21 21.085 1.793 0.513 0.893 0.950 0.700 CB 1.314 21 residues pruned to eliminate duplicates Z: 8 2.977 1.621 0.050 0.415 1.000 0.571 CB 0.722 Z: 12 7.774 1.828 0.200 0.445 0.909 0.364 CA 1.243 16 residues pruned to eliminate duplicates Z: 6 2.704 1.495 -0.080 0.460 1.000 0.400 CB 0.916 Z: 50 16.167 1.915 0.298 0.385 0.857 0.469 CB 1.225 53 residues pruned to eliminate duplicates Z: 6 4.116 1.224 0.377 0.758 1.000 0.600 CB 0.868 Z: 11 10.517 1.961 0.464 0.458 0.900 0.700 CB 1.345 11 residues pruned to eliminate duplicates Z: 19 30.047 1.963 0.918 0.883 0.944 0.611 CB 1.440 19 residues pruned to eliminate duplicates Z: 48 23.414 2.126 0.556 0.396 0.830 0.511 CB 1.389 48 residues pruned to eliminate duplicates 7 1.589 1.481 0.359 0.246 0.667 0.333 CB 0.648 ? Z: 12 9.744 1.858 0.467 0.548 0.818 0.727 CA 1.257 12 residues pruned to eliminate duplicates Z: 9 4.688 1.628 0.268 0.285 0.875 0.375 CA 1.169 9 residues pruned to eliminate duplicates Z: 11 6.268 2.089 -0.120 0.292 0.900 0.500 CA 1.512 11 residues pruned to eliminate duplicates Z: 6 2.942 1.657 -0.016 0.470 0.600 0.400 C 1.386 Z: 8 3.495 1.752 0.090 0.358 0.714 0.571 CB 1.129 8 residues pruned to eliminate duplicates 6 1.765 1.548 -0.098 0.428 0.800 0.600 N 0.761 ? Z: 11 6.382 1.967 0.042 0.406 0.800 0.500 CA 1.358 11 residues pruned to eliminate duplicates Z: 12 13.440 1.973 0.471 0.489 0.909 0.636 N 1.552 12 residues pruned to eliminate duplicates Z: 14 8.389 1.834 0.325 0.407 0.769 0.538 CB 1.372 6 1.825 1.474 0.302 0.279 0.600 0.600 N 0.909 ? Z: 10 9.335 1.878 0.424 0.629 0.889 0.556 CA 1.159 10 residues pruned to eliminate duplicates Z: 13 6.385 1.684 0.108 0.422 0.917 0.500 CB 1.169 10 residues pruned to eliminate duplicates Z: 30 12.304 1.914 0.266 0.395 0.793 0.517 CA 1.328 30 residues pruned to eliminate duplicates Z: 9 3.264 1.621 0.143 0.249 0.750 0.375 N 1.109 9 residues pruned to eliminate duplicates Z: 32 25.453 2.007 0.646 0.562 0.935 0.645 CA 1.392 32 residues pruned to eliminate duplicates Z: 13 16.001 2.084 0.461 0.510 1.000 0.417 CB 1.502 13 residues pruned to eliminate duplicates Z: 30 25.825 2.043 0.351 0.682 0.966 0.793 CA 1.524 30 residues pruned to eliminate duplicates Z: 6 3.572 1.558 -0.092 0.762 0.800 0.600 CA 1.118 6 residues pruned to eliminate duplicates Z: 19 11.714 1.920 0.422 0.392 0.778 0.556 CA 1.458 19 residues pruned to eliminate duplicates Z: 6 2.169 1.515 0.034 0.298 0.600 0.600 CB 1.293 Z: 7 2.463 1.699 0.292 0.241 0.667 0.500 CB 0.926 2 residues pruned to eliminate duplicates Z: 16 14.794 2.002 0.424 0.699 0.800 0.267 CA 1.397 16 residues pruned to eliminate duplicates Z: 7 3.819 1.554 0.080 0.494 0.833 0.667 CB 1.122 6 residues pruned to eliminate duplicates Z: 6 2.458 1.412 0.256 0.567 1.000 0.600 C 0.581 Z: 11 9.051 1.573 0.366 0.735 0.800 0.500 CB 1.348 11 residues pruned to eliminate duplicates Z: 10 6.731 1.877 0.193 0.392 0.778 0.333 CB 1.444 10 residues pruned to eliminate duplicates Z: 8 4.282 1.726 0.128 0.366 0.714 0.286 CA 1.344 8 residues pruned to eliminate duplicates Z: 7 2.807 1.438 0.757 0.248 0.667 0.500 CB 0.909 Z: 11 8.628 1.866 0.087 0.580 0.900 0.500 CB 1.385 8 residues pruned to eliminate duplicates Z: 9 3.186 1.662 0.264 0.380 0.750 0.625 CB 0.812 9 residues pruned to eliminate duplicates Z: 10 5.363 1.747 0.348 0.356 0.778 0.556 CB 1.140 5 residues pruned to eliminate duplicates Z: 38 20.597 1.951 0.563 0.399 0.811 0.486 CA 1.523 38 residues pruned to eliminate duplicates Z: 9 3.278 1.432 0.383 0.305 0.750 0.250 CA 0.969 Z: 7 3.345 1.559 0.182 0.427 0.833 0.500 CB 0.959 5 residues pruned to eliminate duplicates Z: 6 2.172 1.201 0.443 0.309 0.800 0.400 CB 0.866 Z: 7 9.097 1.975 0.489 0.361 1.000 0.333 CA 1.467 7 residues pruned to eliminate duplicates Z: 20 10.976 1.762 0.384 0.508 0.789 0.684 CB 1.297 20 residues pruned to eliminate duplicates Z: 7 3.689 1.501 0.531 0.247 0.833 0.500 CA 1.052 Z: 16 15.796 1.959 0.529 0.506 0.933 0.600 CB 1.450 16 residues pruned to eliminate duplicates Z: 6 4.895 1.943 0.481 0.395 0.600 0.400 CA 1.416 6 residues pruned to eliminate duplicates Z: 26 29.195 2.094 0.839 0.526 0.920 0.520 CA 1.606 26 residues pruned to eliminate duplicates Z: 7 4.240 1.304 0.758 0.582 0.833 0.500 CB 0.838 Z: 12 10.007 1.822 0.661 0.391 1.000 0.727 CB 1.119 12 residues pruned to eliminate duplicates Z: 31 14.681 1.820 0.317 0.400 0.933 0.600 CA 1.331 30 residues pruned to eliminate duplicates Z: 25 13.280 1.969 0.477 0.478 0.792 0.583 CB 1.203 25 residues pruned to eliminate duplicates Z: 17 26.108 2.172 0.439 0.848 1.000 0.938 CB 1.549 17 residues pruned to eliminate duplicates Z: 8 8.040 1.677 0.740 0.731 0.857 0.571 CB 0.987 8 residues pruned to eliminate duplicates Z: 6 2.323 1.429 0.763 0.185 1.000 0.400 CB 0.602 6 1.985 1.297 0.316 0.239 0.800 0.400 O 0.880 ? Z: 8 4.462 1.615 -0.057 0.476 1.000 0.429 CB 1.134 5 residues pruned to eliminate duplicates Z: 10 3.183 1.713 0.204 0.363 0.667 0.444 CA 0.895 10 residues pruned to eliminate duplicates Z: 7 2.790 1.497 -0.085 0.407 0.833 0.667 CB 1.101 Z: 6 4.535 1.379 0.805 0.399 0.800 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 6 3.566 1.460 0.122 0.492 1.000 0.400 CB 0.982 3 residues pruned to eliminate duplicates Z: 7 2.526 1.342 0.356 0.338 0.833 0.500 N 0.811 Z: 24 13.558 1.912 0.229 0.482 0.913 0.652 CA 1.341 24 residues pruned to eliminate duplicates Z: 13 5.366 1.700 0.525 0.370 0.667 0.417 CB 1.030 13 residues pruned to eliminate duplicates Z: 8 2.236 1.408 -0.064 0.467 0.857 0.714 CB 0.774 Z: 34 17.499 2.011 0.629 0.321 0.818 0.606 CA 1.384 34 residues pruned to eliminate duplicates Z: 24 8.415 1.798 0.220 0.386 0.826 0.391 CB 1.092 24 residues pruned to eliminate duplicates Z: 8 6.172 1.539 0.677 0.569 1.000 0.429 N 0.845 7 residues pruned to eliminate duplicates Z: 14 13.867 1.846 0.466 0.849 0.923 0.769 CA 1.141 14 residues pruned to eliminate duplicates 6 0.936 1.188 -0.121 0.138 0.800 0.200 CA 0.785 ? Z: 14 21.021 2.050 0.794 0.909 0.923 0.538 CB 1.219 14 residues pruned to eliminate duplicates Z: 35 17.631 2.012 0.384 0.390 0.941 0.588 CB 1.296 37 residues pruned to eliminate duplicates Z: 8 4.293 1.312 0.284 0.649 0.857 0.857 CB 0.978 Z: 6 2.963 1.405 0.196 0.382 0.800 0.600 CA 1.117 Z: 8 5.943 1.652 1.164 0.437 1.000 0.714 CB 0.671 8 residues pruned to eliminate duplicates Z: 11 9.812 1.853 0.381 0.551 0.900 0.700 CB 1.281 11 residues pruned to eliminate duplicates 6 1.294 1.278 0.293 0.295 0.800 0.400 CB 0.551 ? 6 1.738 1.098 0.336 0.388 0.800 0.400 CB 0.745 ? Z: 12 4.259 1.345 0.415 0.437 0.727 0.182 N 0.990 Z: 6 5.393 1.508 0.452 0.723 1.000 0.800 N 0.900 Z: 40 15.719 1.918 0.433 0.342 0.821 0.487 CB 1.326 41 residues pruned to eliminate duplicates Z: 10 11.181 1.799 0.559 0.612 1.000 0.556 CB 1.194 10 residues pruned to eliminate duplicates Z: 6 2.886 1.452 0.617 0.473 0.800 0.800 C 0.706 Z: 17 28.411 1.996 0.937 0.926 0.938 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 29 29.666 2.132 0.587 0.627 0.964 0.714 CA 1.525 29 residues pruned to eliminate duplicates Z: 16 16.030 1.909 0.504 0.583 0.867 0.333 CB 1.536 16 residues pruned to eliminate duplicates Z: 17 10.687 1.916 0.495 0.424 0.750 0.625 CA 1.347 17 residues pruned to eliminate duplicates Z: 19 13.515 2.008 0.576 0.355 0.833 0.556 CB 1.412 19 residues pruned to eliminate duplicates Z: 9 2.911 1.478 0.794 0.216 0.625 0.250 CA 0.867 6 0.698 1.108 0.133 0.287 0.800 0.400 CB 0.395 ? Z: 9 4.213 1.864 -0.103 0.352 0.750 0.500 CB 1.394 9 residues pruned to eliminate duplicates 8 1.866 1.036 0.334 0.348 0.714 0.571 N 0.843 ? Z: 14 11.888 1.966 0.449 0.441 0.846 0.385 CB 1.454 14 residues pruned to eliminate duplicates Z: 7 12.317 1.754 0.856 0.811 1.000 0.833 CA 1.178 7 residues pruned to eliminate duplicates Z: 20 13.695 1.807 0.604 0.495 0.895 0.632 CB 1.218 23 residues pruned to eliminate duplicates Z: 6 4.853 1.322 0.425 0.832 1.000 0.600 N 0.865 Z: 10 4.379 1.669 0.152 0.589 0.889 0.667 CB 0.784 8 residues pruned to eliminate duplicates Z: 22 9.633 1.930 0.455 0.294 0.762 0.381 CB 1.236 22 residues pruned to eliminate duplicates Z: 12 9.692 2.022 0.751 0.361 0.909 0.727 CB 1.054 12 residues pruned to eliminate duplicates Z: 22 24.181 2.178 0.597 0.564 0.905 0.619 CA 1.575 22 residues pruned to eliminate duplicates Z: 21 11.991 1.912 0.628 0.324 0.850 0.500 CA 1.229 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.184 1.712 0.528 0.370 0.800 0.600 CB 1.028 7 residues pruned to eliminate duplicates Z: 10 16.602 2.064 0.563 0.723 1.000 0.667 CB 1.402 9 residues pruned to eliminate duplicates Z: 9 14.726 2.130 0.468 0.662 1.000 0.750 CA 1.434 10 residues pruned to eliminate duplicates Z: 8 15.893 2.257 0.464 0.755 1.000 0.714 CA 1.449 8 residues pruned to eliminate duplicates Z: 10 8.251 1.989 0.188 0.687 0.889 0.778 CB 1.103 10 residues pruned to eliminate duplicates Z: 9 17.455 2.127 0.598 0.787 1.000 0.750 CA 1.411 9 residues pruned to eliminate duplicates Z: 10 8.941 1.691 0.850 0.355 0.889 0.333 CB 1.254 10 residues pruned to eliminate duplicates Z: 8 12.025 1.886 0.633 0.542 1.000 0.429 CA 1.416 8 residues pruned to eliminate duplicates Z: 12 9.676 1.764 0.697 0.464 0.818 0.455 CB 1.236 12 residues pruned to eliminate duplicates Z: 8 9.753 1.908 0.966 0.423 0.857 0.429 CB 1.242 8 residues pruned to eliminate duplicates Z: 28 19.985 2.185 0.769 0.402 0.852 0.556 CB 1.295 28 residues pruned to eliminate duplicates Z: 31 19.781 2.169 0.621 0.333 0.867 0.500 CB 1.422 31 residues pruned to eliminate duplicates Z: 42 25.587 2.167 0.637 0.468 0.927 0.537 CB 1.256 52 residues pruned to eliminate duplicates Z: 27 17.397 2.142 0.451 0.435 0.885 0.462 CB 1.327 27 residues pruned to eliminate duplicates Z: 13 11.275 1.918 0.247 0.563 1.000 0.750 CB 1.280 11 residues pruned to eliminate duplicates Z: 6 5.110 1.657 0.407 0.335 1.000 0.600 CB 1.174 6 residues pruned to eliminate duplicates Z: 17 8.800 1.799 0.446 0.494 0.812 0.625 CB 1.047 13 residues pruned to eliminate duplicates Z: 9 13.332 2.034 0.338 0.678 1.000 0.875 CB 1.471 9 residues pruned to eliminate duplicates Z: 16 5.821 1.768 0.155 0.445 0.800 0.667 CB 0.974 16 residues pruned to eliminate duplicates Z: 8 4.775 1.575 0.536 0.309 0.857 0.571 CB 1.076 8 residues pruned to eliminate duplicates Z: 13 8.257 1.859 0.306 0.412 0.917 0.583 CB 1.175 13 residues pruned to eliminate duplicates Z: 7 2.671 1.513 0.484 0.436 0.667 0.333 CB 0.778 Z: 8 5.969 1.597 0.420 0.658 0.857 0.286 CB 1.002 7 residues pruned to eliminate duplicates Z: 7 7.204 1.573 0.628 0.707 0.833 0.500 CA 1.141 8 residues pruned to eliminate duplicates Z: 6 4.174 1.680 0.166 0.431 1.000 0.600 CA 1.024 Z: 6 4.822 1.756 0.695 0.384 0.800 0.400 CA 1.024 6 residues pruned to eliminate duplicates Z: 6 6.023 1.711 0.583 0.370 1.000 0.800 CA 1.143 10 residues pruned to eliminate duplicates Z: 33 19.793 2.041 0.406 0.462 0.875 0.594 CA 1.449 38 residues pruned to eliminate duplicates Z: 6 6.129 1.665 0.033 0.592 1.000 0.600 C 1.460 6 residues pruned to eliminate duplicates Z: 35 19.537 2.005 0.447 0.452 0.824 0.559 CA 1.473 34 residues pruned to eliminate duplicates Z: 7 10.810 2.143 0.192 0.533 1.000 0.667 CA 1.673 7 residues pruned to eliminate duplicates Z: 22 15.053 2.043 0.460 0.408 0.857 0.667 CA 1.416 22 residues pruned to eliminate duplicates Z: 24 17.653 2.075 0.465 0.431 0.870 0.739 CA 1.496 23 residues pruned to eliminate duplicates Z: 6 7.205 2.025 0.132 0.453 1.000 0.800 CA 1.475 6 residues pruned to eliminate duplicates Z: 25 15.146 2.014 0.491 0.378 0.833 0.667 CA 1.406 25 residues pruned to eliminate duplicates Z: 24 14.864 2.054 0.487 0.388 0.783 0.652 CA 1.459 24 residues pruned to eliminate duplicates Z: 24 15.974 2.045 0.467 0.399 0.826 0.652 CA 1.494 24 residues pruned to eliminate duplicates Z: 23 15.339 2.079 0.322 0.400 0.909 0.591 CA 1.454 23 residues pruned to eliminate duplicates Z: 24 15.131 2.034 0.509 0.379 0.826 0.565 CA 1.416 24 residues pruned to eliminate duplicates Z: 24 14.796 2.002 0.398 0.376 0.870 0.652 CA 1.447 24 residues pruned to eliminate duplicates Z: 22 15.087 1.979 0.493 0.411 0.857 0.619 CA 1.428 22 residues pruned to eliminate duplicates Z: 22 17.261 2.081 0.509 0.444 0.857 0.667 CA 1.482 22 residues pruned to eliminate duplicates Z: 22 14.771 2.074 0.431 0.430 0.810 0.667 CA 1.442 22 residues pruned to eliminate duplicates Z: 25 13.252 1.967 0.565 0.400 0.750 0.583 CA 1.302 25 residues pruned to eliminate duplicates Z: 24 15.271 1.963 0.523 0.427 0.826 0.696 CA 1.390 24 residues pruned to eliminate duplicates Z: 22 14.574 1.969 0.442 0.397 0.905 0.667 CA 1.381 21 residues pruned to eliminate duplicates 6 1.001 1.656 0.000 0.109 0.600 0.200 N 0.740 ? Z: 6 6.031 1.932 0.628 0.314 1.000 0.600 CA 1.053 7 residues pruned to eliminate duplicates Z: 6 3.963 1.665 0.723 0.386 1.000 0.800 CB 0.697 6 residues pruned to eliminate duplicates Z: 12 8.042 1.910 0.386 0.469 0.727 0.545 CA 1.299 12 residues pruned to eliminate duplicates Z: 9 9.602 1.916 0.363 0.576 0.875 0.625 CB 1.382 9 residues pruned to eliminate duplicates Z: 10 10.583 1.864 0.646 0.506 0.889 0.667 CB 1.286 10 residues pruned to eliminate duplicates Z: 11 8.184 2.070 0.143 0.491 0.800 0.700 CA 1.379 11 residues pruned to eliminate duplicates Z: 7 10.606 1.953 0.714 0.539 1.000 0.500 CB 1.245 7 residues pruned to eliminate duplicates Z: 17 14.630 1.892 0.580 0.467 0.938 0.562 CB 1.349 17 residues pruned to eliminate duplicates Z: 17 14.320 1.866 0.549 0.456 0.875 0.500 CB 1.480 17 residues pruned to eliminate duplicates Z: 15 17.179 2.023 0.502 0.509 0.929 0.571 CB 1.612 15 residues pruned to eliminate duplicates Z: 7 12.900 1.994 0.775 0.535 1.000 0.667 CA 1.437 7 residues pruned to eliminate duplicates Z: 16 17.874 1.986 0.754 0.453 0.933 0.600 CB 1.490 14 residues pruned to eliminate duplicates Z: 6 5.518 1.688 0.265 0.404 1.000 0.600 CA 1.279 6 residues pruned to eliminate duplicates Z: 18 16.419 1.895 0.623 0.449 0.882 0.471 CB 1.546 17 residues pruned to eliminate duplicates Z: 7 3.858 1.658 0.110 0.514 0.667 0.333 CA 1.266 7 residues pruned to eliminate duplicates Z: 15 9.222 1.915 0.338 0.360 0.786 0.429 CA 1.423 23 residues pruned to eliminate duplicates Z: 9 8.005 2.007 0.503 0.346 0.750 0.250 CA 1.479 9 residues pruned to eliminate duplicates Z: 9 7.007 1.890 0.378 0.428 0.750 0.375 CA 1.366 9 residues pruned to eliminate duplicates Z: 12 6.875 1.854 0.450 0.372 0.727 0.455 CA 1.216 12 residues pruned to eliminate duplicates Z: 11 8.253 1.938 0.667 0.426 0.600 0.400 CA 1.454 11 residues pruned to eliminate duplicates Z: 14 9.493 1.773 0.384 0.446 0.846 0.308 CB 1.341 14 residues pruned to eliminate duplicates Z: 14 7.552 1.874 0.366 0.393 0.769 0.385 CA 1.192 14 residues pruned to eliminate duplicates Z: 19 9.452 1.930 0.296 0.360 0.722 0.500 CA 1.433 19 residues pruned to eliminate duplicates Z: 15 7.054 1.835 0.468 0.335 0.786 0.214 CA 1.067 15 residues pruned to eliminate duplicates Z: 32 14.781 1.913 0.388 0.341 0.903 0.581 CA 1.316 32 residues pruned to eliminate duplicates Z: 23 13.811 1.989 0.291 0.365 0.955 0.591 CB 1.389 23 residues pruned to eliminate duplicates Z: 39 14.330 1.930 0.299 0.327 0.816 0.421 CB 1.374 39 residues pruned to eliminate duplicates Z: 18 8.942 1.874 0.305 0.397 0.882 0.412 CA 1.120 18 residues pruned to eliminate duplicates Z: 22 14.830 1.971 0.285 0.386 1.000 0.714 CB 1.442 22 residues pruned to eliminate duplicates Z: 45 18.167 1.873 0.384 0.381 0.909 0.545 CA 1.319 45 residues pruned to eliminate duplicates Z: 27 13.076 1.922 0.209 0.351 0.962 0.423 CB 1.349 27 residues pruned to eliminate duplicates Z: 44 17.716 1.861 0.338 0.367 0.884 0.581 CB 1.416 44 residues pruned to eliminate duplicates Z: 24 15.063 1.949 0.266 0.390 1.000 0.652 CB 1.430 24 residues pruned to eliminate duplicates Z: 33 16.361 1.955 0.328 0.376 0.906 0.500 CA 1.403 33 residues pruned to eliminate duplicates Z: 27 13.168 1.914 0.326 0.343 0.885 0.577 CA 1.364 27 residues pruned to eliminate duplicates Z: 23 15.720 1.949 0.436 0.371 1.000 0.727 CA 1.375 23 residues pruned to eliminate duplicates Z: 24 13.696 1.904 0.357 0.335 0.913 0.565 CA 1.450 24 residues pruned to eliminate duplicates Z: 16 8.203 1.889 0.259 0.327 0.933 0.600 CA 1.154 16 residues pruned to eliminate duplicates Z: 15 9.483 1.959 0.377 0.296 0.929 0.643 CA 1.270 15 residues pruned to eliminate duplicates Z: 36 12.202 1.863 0.266 0.300 0.857 0.543 CA 1.276 36 residues pruned to eliminate duplicates Z: 34 14.512 1.921 0.298 0.317 0.939 0.545 CA 1.319 34 residues pruned to eliminate duplicates Z: 22 14.747 1.963 0.338 0.407 0.905 0.571 CA 1.493 22 residues pruned to eliminate duplicates Z: 31 14.979 1.955 0.262 0.351 0.933 0.600 CA 1.396 31 residues pruned to eliminate duplicates Z: 32 12.781 1.918 0.309 0.292 0.903 0.516 CB 1.279 32 residues pruned to eliminate duplicates Z: 30 12.825 1.898 0.355 0.324 0.862 0.552 CA 1.303 30 residues pruned to eliminate duplicates Z: 44 18.301 1.882 0.345 0.381 0.953 0.558 CA 1.312 44 residues pruned to eliminate duplicates Z: 26 11.492 1.891 0.351 0.280 0.800 0.520 CA 1.441 26 residues pruned to eliminate duplicates Z: 33 13.298 1.881 0.251 0.383 0.906 0.656 CA 1.249 33 residues pruned to eliminate duplicates Z: 8 5.742 1.900 0.362 0.366 0.857 0.571 CB 1.130 8 residues pruned to eliminate duplicates Z: 17 7.593 1.657 0.334 0.354 0.750 0.375 CA 1.342 17 residues pruned to eliminate duplicates Z: 9 5.100 1.803 0.211 0.438 0.875 0.500 CB 1.005 9 residues pruned to eliminate duplicates Z: 9 5.238 1.808 0.039 0.389 0.875 0.625 CB 1.267 9 residues pruned to eliminate duplicates Z: 12 5.868 1.670 0.133 0.465 0.818 0.364 CB 1.183 12 residues pruned to eliminate duplicates Z: 12 6.891 1.743 0.347 0.372 0.818 0.364 CB 1.241 12 residues pruned to eliminate duplicates Z: 18 8.675 1.649 0.543 0.356 0.824 0.471 CB 1.174 18 residues pruned to eliminate duplicates Z: 19 11.063 1.933 0.335 0.451 0.778 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 51 19.516 1.942 0.394 0.351 0.880 0.580 CB 1.362 51 residues pruned to eliminate duplicates Z: 17 9.234 1.743 0.536 0.366 0.750 0.438 CB 1.327 17 residues pruned to eliminate duplicates Z: 20 9.726 1.859 0.352 0.410 0.737 0.526 CB 1.324 20 residues pruned to eliminate duplicates Z: 24 12.214 1.841 0.316 0.438 0.870 0.435 CB 1.289 23 residues pruned to eliminate duplicates Z: 28 11.808 1.825 0.469 0.399 0.778 0.519 CB 1.212 28 residues pruned to eliminate duplicates Z: 13 8.404 1.799 0.451 0.460 0.750 0.500 CB 1.291 13 residues pruned to eliminate duplicates Z: 20 11.931 1.828 0.533 0.485 0.789 0.421 CB 1.256 20 residues pruned to eliminate duplicates Z: 49 20.920 1.913 0.431 0.369 0.896 0.562 CB 1.417 49 residues pruned to eliminate duplicates Z: 17 8.076 1.849 0.113 0.364 0.875 0.312 CB 1.298 17 residues pruned to eliminate duplicates Z: 29 12.844 1.863 0.439 0.377 0.786 0.464 CB 1.315 29 residues pruned to eliminate duplicates Z: 17 11.732 1.976 0.423 0.461 0.812 0.500 CB 1.336 17 residues pruned to eliminate duplicates Z: 19 12.505 1.933 0.465 0.467 0.778 0.500 CB 1.384 19 residues pruned to eliminate duplicates Z: 20 9.881 1.926 0.356 0.450 0.684 0.368 CB 1.335 20 residues pruned to eliminate duplicates Z: 12 9.756 1.941 0.442 0.490 0.909 0.455 CB 1.167 12 residues pruned to eliminate duplicates Z: 62 21.117 1.905 0.428 0.387 0.820 0.475 CB 1.366 62 residues pruned to eliminate duplicates Z: 27 9.943 1.865 0.356 0.403 0.731 0.462 CB 1.169 27 residues pruned to eliminate duplicates Z: 12 8.904 1.844 0.416 0.470 0.818 0.455 CB 1.296 12 residues pruned to eliminate duplicates Z: 6 3.416 1.563 0.465 0.256 0.800 0.600 CB 1.104 8 residues pruned to eliminate duplicates Z: 7 5.645 1.610 0.657 0.317 0.833 0.500 CA 1.269 7 residues pruned to eliminate duplicates Z: 12 9.281 1.839 0.633 0.449 0.818 0.364 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 2.521 1.517 0.363 0.267 0.800 0.600 O 0.889 7 residues pruned to eliminate duplicates Z: 6 6.774 1.712 0.899 0.348 0.800 0.400 CA 1.373 6 residues pruned to eliminate duplicates Z: 26 15.151 1.900 0.425 0.319 0.960 0.480 CB 1.424 18 residues pruned to eliminate duplicates Z: 7 2.541 1.499 0.122 0.387 1.000 0.500 CA 0.695 7 residues pruned to eliminate duplicates Z: 25 11.076 2.023 0.216 0.330 0.792 0.458 CA 1.400 25 residues pruned to eliminate duplicates Z: 20 15.478 2.095 0.328 0.394 0.947 0.579 CA 1.506 20 residues pruned to eliminate duplicates Z: 22 12.227 1.994 0.217 0.377 0.905 0.429 CB 1.386 22 residues pruned to eliminate duplicates Z: 20 16.051 2.074 0.360 0.398 0.947 0.526 CA 1.535 20 residues pruned to eliminate duplicates Z: 21 12.063 1.997 0.257 0.331 0.950 0.400 CA 1.361 21 residues pruned to eliminate duplicates Z: 21 14.372 2.067 0.264 0.395 0.900 0.450 CB 1.527 26 residues pruned to eliminate duplicates Z: 6 6.602 1.637 0.746 0.598 1.000 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 12 10.944 1.845 0.667 0.507 0.818 0.545 CA 1.301 12 residues pruned to eliminate duplicates Z: 23 21.977 2.097 0.583 0.546 1.000 0.500 CB 1.349 23 residues pruned to eliminate duplicates Z: 9 4.612 1.393 0.825 0.303 0.750 0.250 N 1.064 9 residues pruned to eliminate duplicates Z: 23 16.820 2.060 0.574 0.484 0.864 0.545 CB 1.302 23 residues pruned to eliminate duplicates Z: 22 19.703 2.070 0.604 0.541 0.905 0.714 CB 1.375 22 residues pruned to eliminate duplicates Z: 29 17.550 1.975 0.445 0.494 0.929 0.571 CB 1.259 29 residues pruned to eliminate duplicates Z: 23 20.106 2.025 0.592 0.554 1.000 0.636 CA 1.262 23 residues pruned to eliminate duplicates Z: 30 20.804 2.014 0.558 0.525 0.931 0.517 CA 1.290 30 residues pruned to eliminate duplicates Z: 30 19.512 2.014 0.570 0.500 0.931 0.586 CB 1.231 30 residues pruned to eliminate duplicates Z: 28 19.500 2.050 0.573 0.482 0.926 0.519 CB 1.280 28 residues pruned to eliminate duplicates Z: 10 9.966 2.036 0.521 0.509 0.889 0.556 CA 1.196 10 residues pruned to eliminate duplicates Z: 28 18.881 1.998 0.552 0.504 0.926 0.519 CB 1.260 28 residues pruned to eliminate duplicates Z: 48 20.406 2.012 0.475 0.363 0.894 0.511 CB 1.300 48 residues pruned to eliminate duplicates Z: 47 22.203 2.041 0.384 0.438 0.891 0.565 CB 1.386 47 residues pruned to eliminate duplicates Z: 21 11.426 1.950 0.489 0.337 0.850 0.500 CB 1.237 21 residues pruned to eliminate duplicates Z: 22 20.033 2.065 0.615 0.537 0.952 0.571 CB 1.327 22 residues pruned to eliminate duplicates Z: 13 7.441 1.969 0.379 0.395 0.917 0.583 CB 0.964 13 residues pruned to eliminate duplicates Z: 16 12.555 2.232 0.275 0.474 0.667 0.600 CB 1.754 16 residues pruned to eliminate duplicates Z: 17 12.557 2.129 0.211 0.468 0.812 0.500 CB 1.548 17 residues pruned to eliminate duplicates Z: 17 9.944 2.121 0.066 0.413 0.750 0.562 CA 1.605 17 residues pruned to eliminate duplicates Z: 16 9.641 2.130 0.127 0.341 0.733 0.533 CB 1.682 16 residues pruned to eliminate duplicates Z: 14 10.858 2.215 0.066 0.419 0.846 0.615 CB 1.641 14 residues pruned to eliminate duplicates Z: 16 10.432 2.113 0.000 0.351 0.933 0.400 CA 1.605 16 residues pruned to eliminate duplicates Z: 16 11.690 2.205 0.041 0.456 0.800 0.600 CB 1.720 16 residues pruned to eliminate duplicates Z: 17 12.445 2.116 0.102 0.352 0.938 0.500 CA 1.670 17 residues pruned to eliminate duplicates Z: 18 10.758 2.052 0.196 0.381 0.824 0.471 CB 1.466 18 residues pruned to eliminate duplicates Z: 37 15.804 2.032 0.302 0.376 0.722 0.333 CB 1.573 37 residues pruned to eliminate duplicates Z: 18 10.694 2.025 0.235 0.373 0.765 0.529 CB 1.552 18 residues pruned to eliminate duplicates Z: 17 11.269 2.120 0.157 0.378 0.812 0.562 CB 1.611 17 residues pruned to eliminate duplicates Z: 18 10.500 2.036 0.170 0.413 0.706 0.529 CA 1.658 18 residues pruned to eliminate duplicates Z: 15 10.998 2.138 0.368 0.400 0.714 0.500 CB 1.564 15 residues pruned to eliminate duplicates Z: 16 14.037 2.184 0.154 0.454 0.867 0.467 CA 1.740 16 residues pruned to eliminate duplicates Z: 35 15.530 2.094 0.239 0.391 0.706 0.382 CB 1.631 35 residues pruned to eliminate duplicates Z: 35 16.469 2.072 0.256 0.357 0.794 0.412 CB 1.596 35 residues pruned to eliminate duplicates Z: 24 10.979 2.043 0.279 0.315 0.783 0.435 CB 1.375 24 residues pruned to eliminate duplicates Z: 14 4.882 1.973 -0.050 0.146 0.846 0.308 CB 1.321 14 residues pruned to eliminate duplicates Z: 21 11.690 1.929 0.583 0.270 0.850 0.450 CB 1.308 21 residues pruned to eliminate duplicates Z: 17 14.749 2.119 0.425 0.355 0.875 0.500 CB 1.632 17 residues pruned to eliminate duplicates Z: 19 12.654 2.079 0.335 0.314 0.833 0.389 CB 1.583 19 residues pruned to eliminate duplicates Z: 10 7.113 2.153 0.410 0.201 0.778 0.222 CB 1.432 10 residues pruned to eliminate duplicates Z: 31 16.879 1.983 0.441 0.388 0.867 0.533 CB 1.402 40 residues pruned to eliminate duplicates Z: 8 9.002 1.881 0.644 0.559 1.000 0.286 CA 1.039 8 residues pruned to eliminate duplicates Z: 17 12.853 2.081 0.425 0.368 0.750 0.375 CB 1.665 17 residues pruned to eliminate duplicates Z: 19 15.319 2.020 0.460 0.373 0.944 0.444 CB 1.485 19 residues pruned to eliminate duplicates Z: 16 11.193 1.930 0.622 0.421 0.667 0.267 CA 1.504 16 residues pruned to eliminate duplicates Z: 22 13.362 1.963 0.344 0.357 0.905 0.381 CB 1.426 22 residues pruned to eliminate duplicates Z: 18 11.228 2.011 0.383 0.340 0.765 0.529 CB 1.525 18 residues pruned to eliminate duplicates Z: 17 11.377 2.066 0.279 0.372 0.875 0.562 CB 1.410 17 residues pruned to eliminate duplicates Z: 20 14.049 1.996 0.450 0.334 0.895 0.526 CA 1.492 20 residues pruned to eliminate duplicates Z: 17 12.972 2.015 0.407 0.420 0.875 0.625 CA 1.422 17 residues pruned to eliminate duplicates Z: 19 18.122 2.131 0.565 0.683 0.833 0.667 CB 1.299 19 residues pruned to eliminate duplicates Z: 24 20.169 2.109 0.495 0.514 0.870 0.522 CB 1.513 24 residues pruned to eliminate duplicates Z: 40 22.569 2.091 0.455 0.424 0.872 0.641 CB 1.475 40 residues pruned to eliminate duplicates Z: 33 20.826 1.941 0.552 0.549 0.844 0.625 CB 1.381 33 residues pruned to eliminate duplicates Z: 30 20.684 1.947 0.582 0.600 0.897 0.724 CB 1.264 30 residues pruned to eliminate duplicates Z: 28 21.941 2.033 0.558 0.562 0.889 0.741 CB 1.413 28 residues pruned to eliminate duplicates Z: 40 24.006 2.158 0.574 0.484 0.769 0.538 CB 1.495 44 residues pruned to eliminate duplicates Z: 15 19.479 2.214 0.617 0.699 0.929 0.714 CB 1.306 15 residues pruned to eliminate duplicates Z: 33 17.048 2.119 0.357 0.438 0.875 0.500 CB 1.277 21 residues pruned to eliminate duplicates Z: 6 4.044 1.640 0.894 0.243 0.800 0.400 CB 0.979 6 residues pruned to eliminate duplicates Z: 55 24.987 2.126 0.466 0.380 0.852 0.389 CB 1.455 55 residues pruned to eliminate duplicates Z: 28 16.951 2.150 0.667 0.365 0.815 0.407 CB 1.292 28 residues pruned to eliminate duplicates Z: 27 19.555 2.159 0.662 0.423 0.885 0.538 CB 1.308 27 residues pruned to eliminate duplicates Z: 15 8.035 2.182 0.602 0.126 0.714 0.286 CA 1.375 15 residues pruned to eliminate duplicates Z: 32 19.101 2.118 0.703 0.335 0.806 0.484 CB 1.412 32 residues pruned to eliminate duplicates Z: 31 20.626 2.166 0.585 0.382 0.867 0.533 CB 1.434 31 residues pruned to eliminate duplicates Z: 54 31.985 2.167 0.564 0.489 0.868 0.698 CB 1.509 54 residues pruned to eliminate duplicates Z: 48 27.184 2.172 0.486 0.457 0.830 0.553 CA 1.547 48 residues pruned to eliminate duplicates Z: 18 18.535 2.143 0.733 0.567 0.824 0.706 CB 1.377 18 residues pruned to eliminate duplicates Z: 56 29.011 2.082 0.612 0.495 0.855 0.582 CB 1.370 56 residues pruned to eliminate duplicates Z: 26 23.942 2.223 0.806 0.456 0.880 0.600 CB 1.417 26 residues pruned to eliminate duplicates Z: 49 24.604 2.134 0.521 0.477 0.812 0.479 CB 1.378 49 residues pruned to eliminate duplicates Z: 28 19.171 2.167 0.791 0.397 0.852 0.519 CB 1.243 28 residues pruned to eliminate duplicates Z: 21 16.260 2.077 0.652 0.468 0.800 0.450 CB 1.368 Z: 19 17.463 2.044 0.383 0.809 0.944 0.833 CB 1.177 19 residues pruned to eliminate duplicates Z: 26 21.273 2.057 0.482 0.622 0.880 0.720 CB 1.413 26 residues pruned to eliminate duplicates Z: 16 11.928 1.978 0.209 0.501 0.867 0.667 CB 1.485 16 residues pruned to eliminate duplicates Z: 47 20.151 2.103 0.573 0.318 0.783 0.478 CB 1.404 47 residues pruned to eliminate duplicates Z: 11 5.175 1.714 0.946 0.258 0.900 0.500 CB 0.719 11 residues pruned to eliminate duplicates Z: 8 8.802 1.953 1.145 0.363 1.000 0.429 CB 0.920 8 residues pruned to eliminate duplicates Z: 10 7.368 2.011 0.670 0.246 0.778 0.333 CB 1.261 11 residues pruned to eliminate duplicates Z: 6 10.114 1.876 1.336 0.441 0.800 0.600 CB 1.371 6 residues pruned to eliminate duplicates Z: 8 8.668 1.926 0.933 0.348 0.857 0.429 CB 1.211 8 residues pruned to eliminate duplicates Z: 18 8.985 2.013 0.902 0.136 0.765 0.294 CB 1.171 18 residues pruned to eliminate duplicates Z: 7 4.765 2.025 0.726 0.293 0.667 0.500 CB 1.053 7 residues pruned to eliminate duplicates Z: 18 8.770 2.003 0.812 0.173 0.824 0.294 CB 1.057 18 residues pruned to eliminate duplicates Z: 26 13.701 1.960 0.761 0.306 0.720 0.400 CB 1.368 24 residues pruned to eliminate duplicates Z: 22 13.419 2.004 0.754 0.307 0.762 0.429 CB 1.355 22 residues pruned to eliminate duplicates Z: 29 13.924 1.999 0.681 0.247 0.821 0.429 CB 1.276 29 residues pruned to eliminate duplicates Z: 20 13.304 2.009 0.730 0.327 0.842 0.474 CB 1.261 20 residues pruned to eliminate duplicates Z: 8 7.272 1.883 0.871 0.362 0.857 0.429 CA 1.056 8 residues pruned to eliminate duplicates Z: 9 11.446 2.096 0.915 0.292 1.000 0.500 CB 1.273 9 residues pruned to eliminate duplicates Z: 31 15.546 2.010 0.681 0.294 0.767 0.400 CB 1.380 32 residues pruned to eliminate duplicates Z: 24 16.057 2.033 0.612 0.376 0.826 0.435 CB 1.412 23 residues pruned to eliminate duplicates Z: 26 17.164 1.942 0.781 0.332 0.920 0.480 CB 1.297 26 residues pruned to eliminate duplicates Z: 31 14.486 2.016 0.573 0.292 0.767 0.400 CB 1.374 31 residues pruned to eliminate duplicates Z: 26 13.728 1.962 0.817 0.295 0.760 0.440 CB 1.275 26 residues pruned to eliminate duplicates Z: 16 10.549 1.975 0.551 0.414 0.733 0.467 CA 1.327 16 residues pruned to eliminate duplicates Z: 25 14.927 1.981 0.613 0.355 0.875 0.458 CA 1.274 25 residues pruned to eliminate duplicates Z: 16 11.109 1.956 0.615 0.370 0.867 0.467 CA 1.204 16 residues pruned to eliminate duplicates Z: 15 10.739 1.955 0.642 0.417 0.714 0.500 CB 1.366 15 residues pruned to eliminate duplicates Z: 16 12.763 1.960 0.610 0.359 0.867 0.400 CA 1.402 17 residues pruned to eliminate duplicates Z: 23 14.921 2.042 0.676 0.284 0.864 0.545 CA 1.374 23 residues pruned to eliminate duplicates Z: 14 10.287 1.892 0.837 0.419 0.846 0.462 CA 1.056 14 residues pruned to eliminate duplicates Z: 29 13.920 2.029 0.792 0.265 0.714 0.464 CB 1.324 29 residues pruned to eliminate duplicates Z: 14 13.101 1.948 0.750 0.407 0.923 0.538 CA 1.273 14 residues pruned to eliminate duplicates Z: 27 35.684 2.225 0.648 0.709 0.962 0.846 CA 1.641 30 residues pruned to eliminate duplicates Z: 6 4.019 1.707 0.487 0.255 0.800 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 29 32.540 2.070 0.684 0.673 0.929 0.679 CA 1.619 27 residues pruned to eliminate duplicates Z: 13 28.841 2.175 0.691 0.826 1.000 0.833 CB 1.707 13 residues pruned to eliminate duplicates Z: 60 38.512 2.155 0.657 0.534 0.881 0.576 CB 1.541 29 residues pruned to eliminate duplicates Z: 21 38.972 2.146 0.831 0.928 1.000 0.650 CB 1.553 21 residues pruned to eliminate duplicates Z: 32 32.541 2.091 0.659 0.625 0.935 0.548 CA 1.600 32 residues pruned to eliminate duplicates Z: 34 34.553 2.109 0.688 0.691 0.939 0.606 CA 1.510 34 residues pruned to eliminate duplicates Z: 33 38.551 2.151 0.702 0.704 0.969 0.656 CB 1.596 33 residues pruned to eliminate duplicates Z: 35 32.808 2.081 0.723 0.587 0.912 0.529 CB 1.583 35 residues pruned to eliminate duplicates Z: 35 37.055 2.112 0.655 0.671 0.971 0.588 CB 1.600 35 residues pruned to eliminate duplicates Z: 29 37.032 2.168 0.662 0.657 1.000 0.571 CA 1.679 29 residues pruned to eliminate duplicates Z: 27 37.991 2.165 0.689 0.697 1.000 0.462 CB 1.703 27 residues pruned to eliminate duplicates Z: 61 43.070 2.168 0.668 0.567 0.917 0.500 CB 1.572 61 residues pruned to eliminate duplicates Z: 31 33.557 2.007 0.790 0.625 0.967 0.333 CA 1.568 31 residues pruned to eliminate duplicates Z: 29 36.443 2.113 0.803 0.701 0.893 0.536 CA 1.686 29 residues pruned to eliminate duplicates Z: 29 34.937 2.136 0.684 0.682 0.929 0.393 CB 1.671 29 residues pruned to eliminate duplicates Z: 14 15.804 2.052 0.605 0.830 0.769 0.308 CB 1.300 14 residues pruned to eliminate duplicates Z: 30 29.588 2.120 0.698 0.611 0.828 0.379 CA 1.659 30 residues pruned to eliminate duplicates Z: 45 38.024 2.053 0.669 0.640 0.909 0.500 CB 1.614 45 residues pruned to eliminate duplicates Z: 46 27.672 2.121 0.506 0.483 0.889 0.511 CB 1.478 46 residues pruned to eliminate duplicates Z: 55 35.361 2.165 0.541 0.538 0.907 0.426 CB 1.531 55 residues pruned to eliminate duplicates Z: 55 27.623 1.944 0.585 0.495 0.815 0.315 CB 1.505 55 residues pruned to eliminate duplicates Z: 47 26.542 2.086 0.498 0.454 0.913 0.478 CB 1.438 47 residues pruned to eliminate duplicates Z: 16 14.567 1.978 0.302 0.625 0.867 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 42 37.751 2.113 0.615 0.642 0.878 0.439 CB 1.723 42 residues pruned to eliminate duplicates Z: 16 14.911 2.071 0.329 0.623 0.867 0.467 CB 1.437 16 residues pruned to eliminate duplicates Z: 39 22.154 2.083 0.587 0.450 0.816 0.474 CB 1.402 39 residues pruned to eliminate duplicates Z: 45 24.602 2.089 0.398 0.462 0.932 0.477 CB 1.417 45 residues pruned to eliminate duplicates Z: 15 12.050 2.002 0.083 0.689 0.857 0.643 CA 1.457 15 residues pruned to eliminate duplicates Z: 18 15.197 1.898 0.382 0.548 0.882 0.588 CB 1.520 18 residues pruned to eliminate duplicates Z: 39 23.813 2.095 0.519 0.438 0.921 0.579 CB 1.405 39 residues pruned to eliminate duplicates Z: 44 24.249 2.116 0.468 0.479 0.860 0.465 CB 1.414 44 residues pruned to eliminate duplicates Z: 43 26.179 2.153 0.393 0.510 0.857 0.571 CB 1.556 43 residues pruned to eliminate duplicates Z: 41 25.325 2.130 0.407 0.517 0.900 0.450 CB 1.460 41 residues pruned to eliminate duplicates Z: 36 19.144 2.118 0.612 0.442 0.743 0.343 CB 1.355 36 residues pruned to eliminate duplicates Z: 36 25.101 2.151 0.574 0.455 0.914 0.457 CB 1.436 36 residues pruned to eliminate duplicates Z: 64 40.490 2.120 0.642 0.497 0.921 0.476 CB 1.596 64 residues pruned to eliminate duplicates Z: 64 38.555 2.127 0.658 0.556 0.921 0.492 CB 1.416 64 residues pruned to eliminate duplicates Z: 37 17.223 2.040 0.752 0.408 0.778 0.333 CB 1.138 37 residues pruned to eliminate duplicates Z: 43 25.901 2.124 0.502 0.511 0.881 0.571 CB 1.407 43 residues pruned to eliminate duplicates Z: 7 5.015 1.958 0.278 0.449 1.000 0.333 CA 0.862 7 residues pruned to eliminate duplicates Z: 45 22.235 2.008 0.496 0.424 0.864 0.455 CB 1.398 39 residues pruned to eliminate duplicates Z: 6 2.984 1.777 0.294 0.242 0.600 0.600 CA 1.304 6 residues pruned to eliminate duplicates Z: 25 14.101 1.963 0.431 0.419 0.792 0.458 CB 1.408 25 residues pruned to eliminate duplicates Z: 28 18.986 2.126 0.445 0.419 0.852 0.407 CB 1.519 28 residues pruned to eliminate duplicates Z: 27 23.018 2.195 0.543 0.426 0.923 0.462 CB 1.559 27 residues pruned to eliminate duplicates Z: 46 25.321 2.120 0.528 0.432 0.844 0.444 CB 1.480 46 residues pruned to eliminate duplicates Z: 36 21.734 2.143 0.657 0.447 0.829 0.429 CB 1.318 36 residues pruned to eliminate duplicates Z: 36 19.712 2.098 0.575 0.461 0.800 0.457 CB 1.312 36 residues pruned to eliminate duplicates Z: 14 13.431 1.992 0.597 0.509 0.769 0.385 CB 1.508 14 residues pruned to eliminate duplicates Z: 44 22.382 2.093 0.552 0.449 0.814 0.372 CB 1.360 44 residues pruned to eliminate duplicates Z: 71 46.701 2.150 0.629 0.554 0.943 0.471 CB 1.604 59 residues pruned to eliminate duplicates Z: 8 8.480 1.838 -0.078 0.782 1.000 0.571 CB 1.475 8 residues pruned to eliminate duplicates Z: 14 13.272 1.962 0.402 0.547 0.923 0.615 CB 1.385 14 residues pruned to eliminate duplicates Z: 44 20.190 2.082 0.421 0.426 0.814 0.349 CB 1.380 44 residues pruned to eliminate duplicates Z: 6 2.414 1.927 0.233 0.163 0.400 0.400 N 1.713 6 residues pruned to eliminate duplicates Z: 14 11.226 2.104 0.560 0.392 0.846 0.538 CA 1.257 14 residues pruned to eliminate duplicates Z: 47 31.249 2.096 0.481 0.540 0.935 0.674 CB 1.526 47 residues pruned to eliminate duplicates Z: 15 10.812 2.065 0.879 0.338 0.786 0.429 CA 1.131 15 residues pruned to eliminate duplicates Z: 46 33.923 2.142 0.549 0.554 0.911 0.733 CA 1.587 46 residues pruned to eliminate duplicates Z: 60 29.949 2.069 0.456 0.542 0.864 0.610 CA 1.437 60 residues pruned to eliminate duplicates Z: 45 27.757 2.087 0.447 0.530 0.864 0.727 CB 1.557 45 residues pruned to eliminate duplicates Z: 29 24.387 2.118 0.228 0.681 0.893 0.786 CB 1.681 29 residues pruned to eliminate duplicates Z: 48 31.056 2.079 0.445 0.550 0.894 0.596 CB 1.608 48 residues pruned to eliminate duplicates Z: 24 20.859 2.139 0.329 0.531 0.913 0.739 CA 1.626 24 residues pruned to eliminate duplicates Z: 39 29.963 2.075 0.437 0.620 0.921 0.711 CA 1.581 39 residues pruned to eliminate duplicates Z: 64 35.972 2.063 0.578 0.541 0.937 0.603 CA 1.429 64 residues pruned to eliminate duplicates Z: 33 25.028 2.159 0.557 0.498 0.906 0.656 CA 1.456 33 residues pruned to eliminate duplicates Z: 44 29.853 2.110 0.505 0.565 0.884 0.674 CA 1.523 44 residues pruned to eliminate duplicates Z: 47 30.687 2.098 0.523 0.561 0.891 0.696 CA 1.498 47 residues pruned to eliminate duplicates Z: 31 29.228 2.142 0.339 0.657 0.933 0.800 CB 1.723 31 residues pruned to eliminate duplicates Z: 43 29.029 2.064 0.423 0.583 0.929 0.690 CA 1.517 43 residues pruned to eliminate duplicates Z: 30 25.251 2.094 0.379 0.649 0.897 0.759 CA 1.576 30 residues pruned to eliminate duplicates Z: 30 25.734 2.118 0.300 0.689 0.897 0.828 CB 1.629 30 residues pruned to eliminate duplicates Z: 31 26.042 2.061 0.388 0.631 0.933 0.700 CB 1.575 31 residues pruned to eliminate duplicates Z: 63 38.341 2.095 0.644 0.562 0.919 0.726 CA 1.448 63 residues pruned to eliminate duplicates Z: 27 31.617 2.111 0.477 0.712 0.962 0.654 CB 1.707 27 residues pruned to eliminate duplicates Z: 30 27.116 2.095 0.368 0.696 0.897 0.655 CB 1.639 30 residues pruned to eliminate duplicates Z: 41 28.166 2.032 0.437 0.570 0.925 0.625 CA 1.541 41 residues pruned to eliminate duplicates Z: 45 27.584 2.101 0.450 0.530 0.818 0.568 CA 1.619 45 residues pruned to eliminate duplicates Z: 28 31.163 2.162 0.519 0.670 0.963 0.778 CB 1.621 28 residues pruned to eliminate duplicates Z: 26 35.844 2.176 0.660 0.704 1.000 0.880 CB 1.649 26 residues pruned to eliminate duplicates Z: 26 35.119 2.181 0.551 0.753 1.000 0.800 CB 1.657 26 residues pruned to eliminate duplicates Z: 33 25.058 2.092 0.548 0.613 0.812 0.688 CB 1.512 33 residues pruned to eliminate duplicates Z: 64 46.084 2.087 0.726 0.620 0.937 0.603 CB 1.536 64 residues pruned to eliminate duplicates Z: 65 40.861 2.057 0.693 0.603 0.891 0.562 CA 1.494 65 residues pruned to eliminate duplicates Z: 63 41.696 2.071 0.725 0.596 0.935 0.516 CB 1.446 53 residues pruned to eliminate duplicates Z: 63 35.212 2.096 0.509 0.585 0.935 0.677 CA 1.393 63 residues pruned to eliminate duplicates Z: 64 38.333 2.027 0.563 0.613 0.937 0.619 CB 1.462 64 residues pruned to eliminate duplicates Z: 64 42.644 2.078 0.693 0.579 0.968 0.540 CA 1.462 64 residues pruned to eliminate duplicates Z: 63 28.666 1.954 0.683 0.504 0.855 0.355 CB 1.290 63 residues pruned to eliminate duplicates Z: 53 33.800 2.064 0.672 0.580 0.846 0.558 CB 1.485 53 residues pruned to eliminate duplicates Z: 38 30.855 2.064 0.483 0.677 0.973 0.595 CB 1.447 38 residues pruned to eliminate duplicates Z: 62 34.826 2.075 0.501 0.588 0.934 0.672 CA 1.408 34 residues pruned to eliminate duplicates Z: 12 8.772 1.809 0.262 0.774 0.818 0.636 CA 1.111 12 residues pruned to eliminate duplicates Z: 63 34.863 2.079 0.506 0.570 0.919 0.548 CA 1.438 63 residues pruned to eliminate duplicates Z: 22 14.258 1.821 0.609 0.534 0.952 0.524 CA 1.078 22 residues pruned to eliminate duplicates Z: 62 43.919 2.116 0.690 0.606 0.951 0.607 CB 1.496 62 residues pruned to eliminate duplicates Z: 33 21.590 2.005 0.711 0.450 0.906 0.500 CA 1.292 33 residues pruned to eliminate duplicates Z: 21 16.828 1.895 0.585 0.606 0.950 0.450 CA 1.192 21 residues pruned to eliminate duplicates Z: 33 23.047 1.995 0.776 0.520 0.906 0.500 CA 1.244 33 residues pruned to eliminate duplicates Z: 54 32.520 2.113 0.461 0.577 0.887 0.660 CA 1.514 54 residues pruned to eliminate duplicates Z: 65 35.556 2.047 0.553 0.547 0.938 0.594 CA 1.424 65 residues pruned to eliminate duplicates Z: 63 36.338 2.031 0.621 0.587 0.887 0.613 CA 1.454 63 residues pruned to eliminate duplicates Z: 19 15.927 1.925 0.779 0.508 0.833 0.389 CB 1.305 19 residues pruned to eliminate duplicates Z: 65 34.868 2.030 0.496 0.558 0.938 0.609 CA 1.446 65 residues pruned to eliminate duplicates Z: 61 37.913 2.083 0.602 0.631 0.883 0.617 CB 1.467 61 residues pruned to eliminate duplicates Z: 36 21.368 1.984 0.666 0.466 0.857 0.486 CA 1.321 36 residues pruned to eliminate duplicates Z: 64 36.317 2.066 0.566 0.566 0.905 0.635 CA 1.467 64 residues pruned to eliminate duplicates Z: 48 28.943 2.092 0.486 0.505 0.872 0.660 CA 1.548 48 residues pruned to eliminate duplicates Z: 9 11.016 1.973 0.625 0.300 1.000 0.625 CA 1.518 9 residues pruned to eliminate duplicates Z: 46 32.796 2.124 0.506 0.555 0.911 0.711 CA 1.590 46 residues pruned to eliminate duplicates Z: 14 11.009 2.044 0.958 0.340 0.692 0.538 CA 1.312 14 residues pruned to eliminate duplicates Z: 47 34.702 2.118 0.624 0.528 0.913 0.630 CA 1.585 48 residues pruned to eliminate duplicates Z: 7 8.233 1.575 0.663 0.494 1.000 0.500 CA 1.291 7 residues pruned to eliminate duplicates Z: 21 11.976 1.816 0.543 0.420 0.750 0.550 N 1.385 21 residues pruned to eliminate duplicates Z: 33 13.685 1.829 0.544 0.382 0.812 0.531 CB 1.195 33 residues pruned to eliminate duplicates Z: 25 15.068 1.902 0.596 0.384 0.833 0.542 CB 1.375 25 residues pruned to eliminate duplicates Z: 13 14.568 2.005 0.339 0.591 0.917 0.750 CB 1.566 13 residues pruned to eliminate duplicates Z: 24 15.527 1.936 0.497 0.431 0.870 0.609 CB 1.381 24 residues pruned to eliminate duplicates Z: 29 12.674 1.847 0.536 0.413 0.821 0.571 CB 1.126 29 residues pruned to eliminate duplicates Z: 20 12.202 1.850 0.564 0.394 0.789 0.526 CB 1.371 20 residues pruned to eliminate duplicates Z: 26 15.263 1.910 0.393 0.435 0.840 0.600 CB 1.461 26 residues pruned to eliminate duplicates Z: 12 8.406 1.862 0.584 0.333 0.818 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 17 12.834 1.882 0.503 0.423 0.875 0.438 CB 1.404 17 residues pruned to eliminate duplicates Z: 7 4.638 1.712 0.647 0.252 0.667 0.167 N 1.339 7 residues pruned to eliminate duplicates Z: 39 16.259 1.910 0.442 0.333 0.842 0.368 CA 1.365 39 residues pruned to eliminate duplicates Z: 18 6.249 1.699 0.531 0.322 0.647 0.353 CB 1.096 18 residues pruned to eliminate duplicates Z: 15 7.573 1.838 0.419 0.329 0.786 0.429 CB 1.191 15 residues pruned to eliminate duplicates Z: 14 4.768 1.877 0.158 0.357 0.692 0.308 CB 1.025 14 residues pruned to eliminate duplicates Z: 8 9.572 1.996 0.282 0.603 1.000 0.857 CB 1.282 8 residues pruned to eliminate duplicates Z: 31 11.848 1.894 0.162 0.384 0.900 0.633 CB 1.235 31 residues pruned to eliminate duplicates Z: 6 6.911 1.964 0.033 0.616 1.000 0.600 CA 1.366 6 residues pruned to eliminate duplicates Z: 28 16.212 1.987 0.299 0.404 0.889 0.481 CB 1.504 28 residues pruned to eliminate duplicates Z: 64 27.695 2.028 0.438 0.458 0.873 0.476 CA 1.430 64 residues pruned to eliminate duplicates Z: 30 15.275 1.975 0.311 0.421 0.897 0.552 CB 1.327 30 residues pruned to eliminate duplicates Z: 28 16.096 1.985 0.327 0.443 0.889 0.556 CB 1.403 28 residues pruned to eliminate duplicates Z: 31 15.464 1.968 0.255 0.441 0.867 0.467 CA 1.401 31 residues pruned to eliminate duplicates Z: 66 28.344 1.968 0.460 0.454 0.877 0.492 CA 1.462 66 residues pruned to eliminate duplicates Z: 18 10.353 1.956 0.238 0.420 0.824 0.529 CB 1.369 18 residues pruned to eliminate duplicates Z: 28 15.221 2.004 0.236 0.418 0.926 0.704 CA 1.392 28 residues pruned to eliminate duplicates Z: 30 15.844 2.025 0.283 0.430 0.897 0.690 CB 1.358 30 residues pruned to eliminate duplicates Z: 21 13.436 1.939 0.479 0.396 0.850 0.550 CA 1.376 21 residues pruned to eliminate duplicates Z: 47 20.118 1.967 0.285 0.467 0.891 0.630 CA 1.361 47 residues pruned to eliminate duplicates Z: 24 13.218 1.967 0.414 0.366 0.826 0.565 CB 1.386 24 residues pruned to eliminate duplicates Z: 43 21.449 1.940 0.391 0.474 0.905 0.595 CA 1.392 43 residues pruned to eliminate duplicates Z: 31 14.097 1.987 0.223 0.421 0.867 0.633 CB 1.326 31 residues pruned to eliminate duplicates Z: 22 12.893 2.004 0.269 0.369 0.905 0.524 CA 1.407 22 residues pruned to eliminate duplicates Z: 19 11.719 1.961 0.364 0.421 0.833 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 43 19.223 1.962 0.375 0.479 0.833 0.524 CA 1.347 43 residues pruned to eliminate duplicates Z: 16 10.718 1.929 0.303 0.413 0.867 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 43 21.053 2.022 0.369 0.486 0.881 0.500 CA 1.351 43 residues pruned to eliminate duplicates Z: 28 13.784 1.940 0.290 0.423 0.852 0.556 CB 1.348 28 residues pruned to eliminate duplicates Z: 15 10.602 1.984 0.482 0.396 0.857 0.571 CB 1.255 15 residues pruned to eliminate duplicates Z: 40 17.140 1.966 0.397 0.411 0.897 0.538 CA 1.222 40 residues pruned to eliminate duplicates Z: 45 18.869 1.990 0.325 0.459 0.864 0.500 CA 1.303 45 residues pruned to eliminate duplicates Z: 32 14.287 1.963 0.409 0.425 0.839 0.516 CA 1.196 32 residues pruned to eliminate duplicates Z: 39 17.999 1.980 0.348 0.444 0.868 0.447 CA 1.335 39 residues pruned to eliminate duplicates Z: 15 12.383 2.002 0.257 0.646 0.929 0.571 CA 1.236 15 residues pruned to eliminate duplicates Z: 12 8.128 1.781 0.453 0.428 0.909 0.545 CA 1.122 12 residues pruned to eliminate duplicates Z: 17 12.440 1.964 0.338 0.617 0.875 0.562 CA 1.211 17 residues pruned to eliminate duplicates Z: 38 23.171 2.005 0.524 0.492 0.838 0.432 CA 1.499 38 residues pruned to eliminate duplicates Z: 16 17.015 1.921 0.626 0.820 0.933 0.667 CA 1.142 16 residues pruned to eliminate duplicates Z: 12 8.658 1.798 0.417 0.500 0.909 0.455 CA 1.127 12 residues pruned to eliminate duplicates Z: 15 14.878 1.977 0.449 0.629 0.857 0.571 CA 1.435 15 residues pruned to eliminate duplicates Z: 21 16.639 1.806 0.623 0.642 0.900 0.600 CA 1.235 21 residues pruned to eliminate duplicates Z: 19 17.536 1.820 0.724 0.671 0.833 0.611 CA 1.350 19 residues pruned to eliminate duplicates Z: 12 7.811 1.660 0.370 0.415 0.909 0.364 CB 1.245 12 residues pruned to eliminate duplicates Z: 13 17.207 1.986 0.638 0.821 0.833 0.417 CA 1.387 13 residues pruned to eliminate duplicates Z: 17 17.177 1.888 0.612 0.732 0.875 0.438 CA 1.308 17 residues pruned to eliminate duplicates Z: 21 16.602 1.799 0.566 0.638 0.900 0.550 CA 1.286 21 residues pruned to eliminate duplicates Z: 49 30.821 2.050 0.641 0.553 0.812 0.458 CA 1.546 49 residues pruned to eliminate duplicates Z: 27 21.013 1.903 0.749 0.692 0.846 0.423 CA 1.228 27 residues pruned to eliminate duplicates Z: 37 24.698 1.862 0.706 0.636 0.861 0.306 CB 1.325 37 residues pruned to eliminate duplicates Z: 49 31.121 2.044 0.609 0.538 0.896 0.604 CB 1.469 49 residues pruned to eliminate duplicates Z: 15 16.274 2.082 0.754 0.599 0.786 0.357 CA 1.379 15 residues pruned to eliminate duplicates Z: 9 8.418 1.927 0.807 0.564 0.750 0.375 CB 1.071 9 residues pruned to eliminate duplicates Z: 35 24.611 2.069 0.641 0.432 0.824 0.441 CA 1.619 35 residues pruned to eliminate duplicates Z: 38 27.116 2.041 0.587 0.489 0.892 0.486 CA 1.560 38 residues pruned to eliminate duplicates Z: 33 23.288 2.093 0.668 0.416 0.844 0.406 CA 1.526 33 residues pruned to eliminate duplicates Z: 34 24.443 2.117 0.499 0.494 0.788 0.455 CA 1.711 34 residues pruned to eliminate duplicates Z: 33 27.057 2.094 0.691 0.445 0.875 0.500 CA 1.634 33 residues pruned to eliminate duplicates Z: 34 29.561 2.098 0.643 0.548 0.879 0.424 CA 1.621 34 residues pruned to eliminate duplicates Z: 15 20.635 2.076 0.882 0.595 0.857 0.500 CA 1.504 15 residues pruned to eliminate duplicates Z: 19 21.653 2.007 0.614 0.586 0.944 0.444 CA 1.537 19 residues pruned to eliminate duplicates Z: 34 25.737 2.073 0.622 0.484 0.879 0.515 CA 1.540 34 residues pruned to eliminate duplicates Z: 34 26.078 2.099 0.596 0.448 0.879 0.455 CA 1.628 34 residues pruned to eliminate duplicates Z: 50 31.097 2.042 0.488 0.576 0.878 0.449 CB 1.549 50 residues pruned to eliminate duplicates Z: 25 20.714 2.092 0.685 0.387 0.792 0.417 CA 1.708 25 residues pruned to eliminate duplicates Z: 33 25.753 2.113 0.644 0.451 0.875 0.469 CA 1.574 33 residues pruned to eliminate duplicates Z: 44 24.419 2.017 0.448 0.481 0.860 0.465 CA 1.511 44 residues pruned to eliminate duplicates Z: 36 27.186 2.083 0.518 0.498 0.914 0.514 CA 1.592 36 residues pruned to eliminate duplicates Z: 40 24.834 2.008 0.568 0.439 0.897 0.333 CA 1.499 40 residues pruned to eliminate duplicates Z: 21 16.048 1.932 0.568 0.382 0.850 0.450 CB 1.580 21 residues pruned to eliminate duplicates Z: 33 24.475 2.124 0.619 0.454 0.875 0.500 CA 1.507 33 residues pruned to eliminate duplicates Z: 27 23.088 2.059 0.677 0.433 0.885 0.538 CA 1.588 27 residues pruned to eliminate duplicates Z: 20 15.030 2.054 0.445 0.367 0.842 0.474 CA 1.591 20 residues pruned to eliminate duplicates Z: 34 26.422 2.089 0.662 0.434 0.879 0.424 CA 1.615 34 residues pruned to eliminate duplicates Z: 37 25.751 2.083 0.588 0.512 0.833 0.472 CA 1.538 37 residues pruned to eliminate duplicates Z: 32 24.133 2.105 0.565 0.465 0.806 0.452 CA 1.692 32 residues pruned to eliminate duplicates Z: 32 21.004 2.063 0.423 0.400 0.903 0.355 CA 1.580 32 residues pruned to eliminate duplicates Z: 49 21.986 1.968 0.585 0.532 0.708 0.396 CA 1.392 49 residues pruned to eliminate duplicates Z: 34 25.702 2.080 0.623 0.487 0.879 0.515 CA 1.529 34 residues pruned to eliminate duplicates Z: 31 13.364 1.826 0.553 0.385 0.767 0.500 CB 1.269 31 residues pruned to eliminate duplicates Z: 23 19.663 2.024 0.493 0.473 0.909 0.500 CA 1.568 23 residues pruned to eliminate duplicates Z: 9 6.244 1.989 0.339 0.489 0.625 0.250 CA 1.341 10 residues pruned to eliminate duplicates Z: 9 10.814 1.935 0.406 0.612 0.875 0.500 CA 1.444 9 residues pruned to eliminate duplicates Z: 36 27.932 2.073 0.677 0.538 0.886 0.457 CA 1.477 35 residues pruned to eliminate duplicates 577 residues left after pruning, divided into chains as follows: A: 8 B: 7 C: 8 D: 9 E: 7 F: 12 G: 7 H: 6 I: 35 J: 17 K: 69 L: 10 M: 75 N: 46 O: 7 P: 29 Q: 59 R: 6 S: 64 T: 61 U: 35 CC for partial structure against native data = 21.22 % ------------------------------------------------------------------------------ Global autotracing cycle 23 = 0.300, Contrast = 0.397, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.457, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.552, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.559, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6801 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1246 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 14.792 2.199 0.717 0.246 0.842 0.316 CA 1.431 B: 8 13.784 2.218 0.440 0.634 1.000 0.571 CA 1.438 C: 12 18.006 2.135 0.608 0.908 1.000 0.818 CB 1.123 D: 16 29.517 2.229 0.498 0.903 0.933 0.667 CB 1.742 E: 11 26.170 2.283 0.686 0.894 0.900 0.700 CB 1.714 11 residues pruned to eliminate duplicates F: 9 14.578 1.819 0.578 0.898 1.000 1.000 CB 1.284 G: 15 13.279 2.126 0.133 0.894 1.000 0.929 CB 1.057 15 residues pruned to eliminate duplicates H: 18 29.945 2.032 0.771 0.861 1.000 0.765 CB 1.482 17 residues pruned to eliminate duplicates I: 16 30.770 2.208 0.574 0.906 1.000 0.800 CA 1.625 17 residues pruned to eliminate duplicates J: 20 13.749 2.167 0.691 0.353 0.789 0.526 CA 1.277 20 residues pruned to eliminate duplicates K: 17 38.867 2.169 0.788 0.936 1.000 0.438 CB 1.745 16 residues pruned to eliminate duplicates L: 19 12.402 1.981 0.244 0.479 0.778 0.556 CA 1.557 M: 17 9.716 2.062 0.301 0.419 0.688 0.562 CA 1.433 17 residues pruned to eliminate duplicates N: 15 9.577 1.950 0.476 0.402 0.643 0.500 CA 1.534 15 residues pruned to eliminate duplicates O: 16 11.283 2.128 0.095 0.466 0.800 0.533 CA 1.618 17 residues pruned to eliminate duplicates P: 13 7.454 1.664 0.667 0.351 0.667 0.583 CB 1.368 Q: 10 11.900 1.782 0.748 0.809 0.778 0.444 CA 1.251 10 residues pruned to eliminate duplicates R: 17 38.858 2.271 0.825 0.924 1.000 0.688 CB 1.646 17 residues pruned to eliminate duplicates S: 13 14.540 1.992 0.272 0.784 1.000 0.583 CB 1.290 T: 8 7.778 1.847 0.298 0.831 0.857 0.571 CA 1.075 U: 8 16.190 2.060 0.646 0.691 1.000 0.714 CB 1.515 V: 9 8.565 1.995 0.127 0.640 0.875 0.750 CA 1.351 W: 11 29.470 2.320 0.741 0.901 0.900 0.900 CB 1.829 11 residues pruned to eliminate duplicates X: 22 28.866 1.969 0.391 0.884 1.000 0.762 CB 1.662 Y: 15 16.841 2.012 0.478 0.847 0.857 0.643 CB 1.311 12 residues pruned to eliminate duplicates Z: 19 28.367 2.139 0.451 0.846 1.000 0.778 CB 1.600 18 residues pruned to eliminate duplicates Z: 10 14.783 2.173 0.415 0.797 0.889 0.556 CB 1.390 10 residues pruned to eliminate duplicates Z: 25 14.988 2.081 0.588 0.286 0.833 0.500 CB 1.413 3 residues pruned to eliminate duplicates Z: 10 5.767 1.974 0.266 0.400 0.667 0.667 CB 1.282 Z: 19 32.614 2.158 0.569 0.914 1.000 0.778 CB 1.605 22 residues pruned to eliminate duplicates Z: 8 10.239 2.043 0.523 0.656 1.000 0.714 CB 1.076 Z: 29 18.724 2.037 0.360 0.438 0.964 0.536 CB 1.412 7 residues pruned to eliminate duplicates Z: 18 33.200 2.161 0.632 0.915 1.000 0.765 CB 1.613 18 residues pruned to eliminate duplicates Z: 9 12.274 1.795 0.517 0.887 0.875 0.875 CB 1.313 9 residues pruned to eliminate duplicates Z: 8 10.423 2.061 0.436 0.621 0.857 0.857 CA 1.386 9 residues pruned to eliminate duplicates Z: 20 12.593 1.846 0.543 0.367 0.895 0.421 CB 1.307 Z: 11 2.103 1.576 0.270 0.171 0.500 0.300 CB 0.991 Z: 12 14.230 1.829 0.688 0.798 0.909 0.455 CA 1.178 Z: 6 3.659 1.481 0.774 0.665 0.600 0.400 CA 0.891 Z: 61 32.151 2.019 0.550 0.519 0.900 0.600 CA 1.447 31 residues pruned to eliminate duplicates Z: 27 20.842 2.208 0.591 0.472 0.846 0.577 CB 1.415 18 residues pruned to eliminate duplicates Z: 16 33.938 2.199 0.701 0.863 1.000 0.333 CA 1.719 16 residues pruned to eliminate duplicates Z: 7 9.859 2.016 0.501 0.502 0.833 0.500 CB 1.593 7 residues pruned to eliminate duplicates Z: 12 7.848 1.889 0.226 0.360 0.909 0.727 CB 1.306 Z: 17 16.696 2.160 0.345 0.503 0.875 0.438 CA 1.637 18 residues pruned to eliminate duplicates Z: 9 19.434 2.236 0.596 0.752 1.000 0.625 CA 1.538 8 residues pruned to eliminate duplicates Z: 9 5.664 1.806 0.558 0.492 0.750 0.375 CB 0.957 Z: 28 28.100 2.074 0.723 0.533 0.926 0.519 CA 1.583 8 residues pruned to eliminate duplicates Z: 12 10.977 1.930 0.229 0.631 1.000 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 30 21.491 2.126 0.623 0.457 0.828 0.586 CB 1.461 29 residues pruned to eliminate duplicates Z: 18 13.782 1.999 0.288 0.497 0.882 0.529 CA 1.476 18 residues pruned to eliminate duplicates Z: 6 9.089 1.856 0.067 0.777 1.000 0.600 N 1.608 Z: 10 8.053 2.022 0.181 0.386 0.778 0.667 CA 1.631 10 residues pruned to eliminate duplicates Z: 14 15.968 2.014 0.256 0.923 1.000 0.923 CB 1.231 14 residues pruned to eliminate duplicates Z: 9 16.840 2.016 0.649 0.740 1.000 0.875 CB 1.445 11 residues pruned to eliminate duplicates Z: 7 8.835 1.820 0.466 0.811 1.000 1.000 CA 1.031 8 residues pruned to eliminate duplicates Z: 16 16.902 2.065 0.397 0.903 0.933 0.667 CB 1.156 14 residues pruned to eliminate duplicates Z: 13 14.508 1.905 0.367 0.797 1.000 0.750 CA 1.240 Z: 32 20.131 2.112 0.498 0.444 0.903 0.548 CB 1.340 32 residues pruned to eliminate duplicates Z: 32 29.645 2.169 0.698 0.514 0.903 0.516 CB 1.579 33 residues pruned to eliminate duplicates Z: 34 17.355 1.948 0.591 0.355 0.848 0.576 CB 1.344 34 residues pruned to eliminate duplicates Z: 11 19.369 2.149 0.417 0.903 1.000 0.700 CB 1.433 11 residues pruned to eliminate duplicates Z: 19 23.541 2.019 0.429 0.865 0.889 0.667 CB 1.584 19 residues pruned to eliminate duplicates Z: 14 9.907 1.969 0.209 0.663 0.923 0.769 CB 1.076 14 residues pruned to eliminate duplicates Z: 15 8.839 1.986 0.125 0.383 1.000 0.571 CA 1.197 Z: 20 29.843 2.094 0.713 0.880 0.947 0.789 CB 1.460 19 residues pruned to eliminate duplicates Z: 14 4.497 1.981 0.149 0.216 0.769 0.385 CA 0.995 14 residues pruned to eliminate duplicates Z: 48 32.048 2.142 0.569 0.526 0.872 0.660 CA 1.554 48 residues pruned to eliminate duplicates Z: 9 15.557 2.060 0.792 0.609 1.000 0.750 CB 1.343 Z: 29 23.906 2.038 0.201 0.684 0.964 0.857 CA 1.617 29 residues pruned to eliminate duplicates Z: 7 11.053 2.026 0.385 0.666 1.000 0.833 CA 1.379 7 residues pruned to eliminate duplicates Z: 8 13.902 2.030 0.561 0.811 1.000 0.429 CB 1.265 8 residues pruned to eliminate duplicates Z: 7 10.281 1.896 0.044 0.867 1.000 0.833 CA 1.552 6 residues pruned to eliminate duplicates Z: 7 10.870 1.839 0.501 0.809 0.833 0.500 CA 1.474 7 residues pruned to eliminate duplicates Z: 9 13.443 1.891 0.899 0.398 1.000 0.750 CA 1.473 Z: 12 8.131 1.962 0.508 0.494 0.818 0.545 CB 1.019 Z: 8 3.895 1.837 -0.078 0.560 0.714 0.429 CA 1.148 8 residues pruned to eliminate duplicates Z: 9 16.096 1.975 0.683 0.870 1.000 0.625 CB 1.250 9 residues pruned to eliminate duplicates Z: 28 13.392 1.881 0.301 0.410 0.889 0.444 CB 1.303 Z: 20 26.242 2.129 0.418 0.889 0.947 0.526 CB 1.515 20 residues pruned to eliminate duplicates Z: 48 32.292 2.104 0.465 0.571 0.936 0.702 CA 1.524 48 residues pruned to eliminate duplicates Z: 6 10.347 1.830 0.229 0.822 1.000 0.600 CA 1.556 5 residues pruned to eliminate duplicates Z: 38 19.479 2.029 0.273 0.483 0.865 0.568 CA 1.458 37 residues pruned to eliminate duplicates Z: 61 33.411 2.033 0.594 0.536 0.900 0.650 CB 1.428 61 residues pruned to eliminate duplicates Z: 8 7.397 1.753 0.188 0.630 1.000 0.857 CA 1.188 7 residues pruned to eliminate duplicates Z: 7 6.568 2.010 -0.033 0.659 0.833 0.667 CA 1.428 7 residues pruned to eliminate duplicates Z: 26 14.645 1.960 0.296 0.370 0.960 0.600 CB 1.381 Z: 15 23.202 2.193 0.372 0.862 1.000 0.714 CB 1.513 15 residues pruned to eliminate duplicates Z: 27 26.985 2.080 0.341 0.716 0.962 0.808 CA 1.623 27 residues pruned to eliminate duplicates Z: 25 10.796 1.888 0.325 0.300 0.792 0.500 CB 1.391 25 residues pruned to eliminate duplicates Z: 10 11.094 1.974 0.498 0.562 0.889 0.889 CA 1.325 10 residues pruned to eliminate duplicates Z: 20 11.854 1.773 0.515 0.352 0.842 0.474 CA 1.411 20 residues pruned to eliminate duplicates Z: 18 16.468 2.102 0.674 0.337 0.882 0.529 CA 1.537 19 residues pruned to eliminate duplicates Z: 16 11.441 1.966 0.224 0.397 1.000 0.667 CB 1.369 16 residues pruned to eliminate duplicates Z: 23 16.145 2.079 0.527 0.404 0.864 0.591 CA 1.389 10 residues pruned to eliminate duplicates Z: 17 8.786 1.943 0.339 0.353 0.875 0.438 CA 1.131 12 residues pruned to eliminate duplicates Z: 6 7.972 1.722 0.548 0.709 1.000 0.400 CA 1.105 6 residues pruned to eliminate duplicates Z: 19 12.714 1.895 0.519 0.398 0.889 0.389 CB 1.304 19 residues pruned to eliminate duplicates Z: 30 24.822 1.991 0.602 0.631 0.966 0.759 CB 1.324 17 residues pruned to eliminate duplicates Z: 10 10.585 1.955 0.348 0.569 1.000 0.556 CB 1.253 9 residues pruned to eliminate duplicates Z: 11 18.022 1.875 0.630 0.912 0.900 0.400 CA 1.468 11 residues pruned to eliminate duplicates Z: 55 26.351 2.127 0.366 0.471 0.852 0.593 CB 1.493 58 residues pruned to eliminate duplicates Z: 20 28.370 2.082 0.499 0.877 0.947 0.737 CB 1.600 20 residues pruned to eliminate duplicates Z: 17 30.089 2.200 0.464 0.914 1.000 1.000 CB 1.651 17 residues pruned to eliminate duplicates Z: 16 15.856 2.002 0.645 0.501 0.933 0.600 CB 1.331 Z: 19 22.263 2.031 0.335 0.876 0.944 0.556 CB 1.490 19 residues pruned to eliminate duplicates Z: 20 23.299 2.112 0.321 0.882 1.000 0.474 CB 1.387 20 residues pruned to eliminate duplicates Z: 19 15.715 2.070 0.554 0.442 0.778 0.500 CA 1.571 19 residues pruned to eliminate duplicates Z: 33 23.851 2.045 0.619 0.424 0.906 0.438 CA 1.521 33 residues pruned to eliminate duplicates Z: 6 6.346 1.943 1.007 0.498 0.800 0.600 CB 0.912 Z: 40 24.127 2.062 0.572 0.459 0.872 0.487 CB 1.425 34 residues pruned to eliminate duplicates Z: 41 29.933 2.039 0.558 0.629 0.900 0.725 CB 1.466 41 residues pruned to eliminate duplicates Z: 10 11.042 1.946 0.725 0.529 0.889 0.444 CB 1.199 Z: 9 18.433 2.119 0.610 0.761 1.000 0.750 CA 1.516 9 residues pruned to eliminate duplicates Z: 24 13.852 1.794 0.574 0.380 0.783 0.522 N 1.486 29 residues pruned to eliminate duplicates Z: 19 28.963 2.130 0.371 0.878 1.000 0.667 CB 1.697 18 residues pruned to eliminate duplicates Z: 11 13.966 2.067 0.527 0.796 0.800 0.400 CB 1.349 11 residues pruned to eliminate duplicates Z: 13 17.114 1.903 0.332 0.833 1.000 0.750 CA 1.462 13 residues pruned to eliminate duplicates Z: 8 7.409 1.630 0.384 0.521 1.000 0.429 N 1.216 Z: 21 26.770 2.083 0.459 0.864 1.000 0.600 CB 1.444 21 residues pruned to eliminate duplicates Z: 19 10.621 1.881 0.266 0.430 0.944 0.722 CA 1.196 15 residues pruned to eliminate duplicates Z: 14 14.672 1.829 0.301 0.849 1.000 0.692 CA 1.268 14 residues pruned to eliminate duplicates Z: 32 13.845 1.876 0.298 0.328 0.935 0.645 CB 1.319 31 residues pruned to eliminate duplicates Z: 13 12.111 1.881 0.406 0.824 0.833 0.750 CA 1.198 12 residues pruned to eliminate duplicates Z: 22 18.587 1.994 0.639 0.482 0.810 0.619 CA 1.562 19 residues pruned to eliminate duplicates Z: 63 38.636 2.061 0.611 0.624 0.919 0.677 CA 1.430 61 residues pruned to eliminate duplicates Z: 53 40.349 2.152 0.748 0.524 0.904 0.558 CB 1.607 52 residues pruned to eliminate duplicates Z: 17 40.478 2.226 0.892 0.924 1.000 0.750 CA 1.687 17 residues pruned to eliminate duplicates Z: 7 9.560 1.930 0.042 0.815 1.000 1.000 CB 1.476 7 residues pruned to eliminate duplicates Z: 48 19.431 2.068 0.296 0.368 0.830 0.511 CB 1.468 36 residues pruned to eliminate duplicates Z: 16 9.366 1.776 0.370 0.432 0.867 0.467 N 1.230 16 residues pruned to eliminate duplicates Z: 10 7.038 2.040 0.170 0.625 0.778 0.333 CB 1.124 10 residues pruned to eliminate duplicates Z: 30 16.242 2.019 0.384 0.390 0.828 0.517 CB 1.465 30 residues pruned to eliminate duplicates Z: 41 18.190 1.996 0.336 0.421 0.800 0.475 CA 1.464 41 residues pruned to eliminate duplicates Z: 29 14.798 1.847 0.408 0.416 0.821 0.464 CB 1.428 29 residues pruned to eliminate duplicates Z: 27 14.995 1.965 0.470 0.406 0.808 0.500 CB 1.391 27 residues pruned to eliminate duplicates Z: 17 29.059 2.118 0.553 0.909 1.000 0.562 CB 1.567 17 residues pruned to eliminate duplicates Z: 7 2.983 1.784 -0.213 0.326 0.833 0.500 N 1.260 Z: 11 8.384 1.943 0.319 0.572 0.700 0.700 CA 1.379 11 residues pruned to eliminate duplicates Z: 17 17.606 2.030 0.164 0.837 0.875 0.562 CB 1.592 17 residues pruned to eliminate duplicates Z: 6 5.304 1.599 0.326 0.808 0.800 0.600 CB 1.069 Z: 6 12.069 2.047 0.545 0.639 1.000 1.000 CA 1.500 6 residues pruned to eliminate duplicates Z: 9 5.167 1.768 0.242 0.302 0.750 0.500 CB 1.383 Z: 16 12.276 1.797 0.237 0.869 0.933 0.667 CA 1.117 16 residues pruned to eliminate duplicates Z: 14 10.097 1.940 0.153 0.354 1.000 0.769 CB 1.465 14 residues pruned to eliminate duplicates Z: 7 3.537 1.661 -0.071 0.504 0.667 0.667 C 1.398 Z: 10 6.372 1.812 0.286 0.270 1.000 0.556 N 1.183 10 residues pruned to eliminate duplicates Z: 9 14.474 1.918 0.357 0.894 1.000 1.000 CB 1.410 9 residues pruned to eliminate duplicates Z: 11 14.705 1.985 0.427 0.911 0.900 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 20 34.790 2.238 0.672 0.639 1.000 0.842 CB 1.873 20 residues pruned to eliminate duplicates Z: 10 13.002 1.645 0.695 0.889 0.889 0.556 CA 1.259 10 residues pruned to eliminate duplicates Z: 11 11.036 2.041 0.249 0.871 1.000 0.800 CB 0.999 11 residues pruned to eliminate duplicates Z: 7 7.374 1.630 0.109 0.789 1.000 0.333 N 1.292 7 residues pruned to eliminate duplicates Z: 7 13.744 2.199 0.415 0.738 1.000 0.833 CA 1.457 8 residues pruned to eliminate duplicates Z: 15 12.059 1.986 0.254 0.410 1.000 0.714 CB 1.422 15 residues pruned to eliminate duplicates Z: 14 11.237 2.093 0.183 0.468 0.769 0.615 CB 1.690 14 residues pruned to eliminate duplicates Z: 10 8.763 1.806 0.402 0.492 0.889 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 7 5.690 1.592 -0.125 0.867 1.000 0.667 N 1.220 6 residues pruned to eliminate duplicates Z: 6 7.486 2.033 -0.018 0.542 1.000 0.800 CA 1.608 6 residues pruned to eliminate duplicates Z: 10 9.627 1.865 0.655 0.413 0.778 0.444 CB 1.463 Z: 35 12.685 1.860 0.363 0.358 0.794 0.441 CB 1.260 27 residues pruned to eliminate duplicates Z: 28 16.673 1.971 0.546 0.504 0.852 0.481 CA 1.231 26 residues pruned to eliminate duplicates Z: 21 25.979 2.034 0.427 0.894 0.950 0.450 CB 1.512 21 residues pruned to eliminate duplicates Z: 24 12.623 1.958 0.436 0.364 0.783 0.304 CA 1.384 24 residues pruned to eliminate duplicates Z: 9 12.501 1.970 0.675 0.595 1.000 0.625 CB 1.223 8 residues pruned to eliminate duplicates Z: 9 10.062 1.968 0.086 0.594 1.000 0.375 CB 1.522 9 residues pruned to eliminate duplicates Z: 11 18.600 1.830 0.926 0.871 0.900 0.700 CA 1.353 11 residues pruned to eliminate duplicates Z: 13 9.947 1.938 0.949 0.405 0.667 0.583 CA 1.261 13 residues pruned to eliminate duplicates Z: 61 37.469 2.144 0.521 0.555 0.917 0.617 CB 1.535 61 residues pruned to eliminate duplicates Z: 7 11.145 1.689 0.477 0.845 1.000 1.000 CB 1.356 7 residues pruned to eliminate duplicates Z: 32 26.171 2.107 0.550 0.502 0.903 0.548 CA 1.590 32 residues pruned to eliminate duplicates Z: 49 41.770 2.163 0.578 0.623 0.938 0.375 CB 1.678 31 residues pruned to eliminate duplicates Z: 11 9.113 1.956 0.346 0.558 0.800 0.500 CB 1.293 11 residues pruned to eliminate duplicates Z: 12 18.070 1.875 0.650 0.872 0.818 0.636 CB 1.568 12 residues pruned to eliminate duplicates Z: 9 3.396 1.542 0.052 0.575 0.875 0.625 CB 0.787 9 residues pruned to eliminate duplicates Z: 7 2.611 1.663 0.138 0.492 0.500 0.333 C 1.136 Z: 12 8.698 2.144 0.364 0.519 0.818 0.727 CB 1.076 12 residues pruned to eliminate duplicates Z: 31 14.223 1.894 0.490 0.356 0.800 0.400 CB 1.343 31 residues pruned to eliminate duplicates Z: 13 17.412 1.907 0.609 0.558 1.000 0.667 CA 1.549 13 residues pruned to eliminate duplicates Z: 10 11.544 1.990 0.562 0.565 0.889 0.667 CB 1.308 10 residues pruned to eliminate duplicates Z: 12 15.698 1.992 0.544 0.897 0.909 0.909 CA 1.212 13 residues pruned to eliminate duplicates Z: 18 7.433 1.749 0.436 0.366 0.706 0.353 CB 1.174 35 residues pruned to eliminate duplicates Z: 20 30.773 2.063 0.495 0.898 1.000 0.789 CB 1.638 20 residues pruned to eliminate duplicates Z: 42 27.798 2.080 0.478 0.565 0.854 0.634 CA 1.553 42 residues pruned to eliminate duplicates Z: 20 25.324 2.002 0.353 0.896 0.895 0.684 C 1.718 20 residues pruned to eliminate duplicates Z: 30 12.065 1.889 0.343 0.359 0.828 0.414 CA 1.243 30 residues pruned to eliminate duplicates Z: 8 8.135 1.936 0.389 0.506 0.714 0.714 N 1.591 8 residues pruned to eliminate duplicates Z: 15 12.219 2.005 0.483 0.388 0.857 0.643 CA 1.444 15 residues pruned to eliminate duplicates Z: 16 13.767 2.037 0.225 0.564 0.800 0.533 CA 1.673 16 residues pruned to eliminate duplicates Z: 10 7.537 1.747 0.493 0.445 0.778 0.444 CB 1.311 10 residues pruned to eliminate duplicates Z: 6 5.327 1.820 0.055 0.814 1.000 0.800 CA 0.945 6 residues pruned to eliminate duplicates Z: 8 17.307 2.059 0.826 0.672 1.000 0.714 CB 1.484 8 residues pruned to eliminate duplicates Z: 19 11.281 2.061 0.014 0.479 0.833 0.556 CA 1.561 19 residues pruned to eliminate duplicates Z: 11 9.910 1.958 0.386 0.519 0.800 0.400 CB 1.417 11 residues pruned to eliminate duplicates 6 1.443 1.593 0.014 0.404 1.000 0.400 CB 0.442 ? Z: 6 5.252 1.697 0.470 0.466 0.800 0.600 CA 1.219 6 residues pruned to eliminate duplicates Z: 8 16.866 2.191 0.462 0.754 1.000 0.857 CA 1.587 8 residues pruned to eliminate duplicates Z: 37 23.996 2.012 0.557 0.537 0.861 0.500 CA 1.429 37 residues pruned to eliminate duplicates Z: 10 10.672 2.002 0.278 0.560 0.889 0.444 CB 1.476 10 residues pruned to eliminate duplicates Z: 25 17.931 1.941 0.740 0.428 0.875 0.625 CB 1.334 25 residues pruned to eliminate duplicates Z: 8 9.751 1.754 0.182 0.830 1.000 0.286 CB 1.336 8 residues pruned to eliminate duplicates Z: 12 12.766 1.779 0.278 0.902 1.000 0.636 CA 1.208 12 residues pruned to eliminate duplicates Z: 19 23.111 2.067 0.355 0.873 0.944 0.833 CB 1.500 19 residues pruned to eliminate duplicates Z: 16 24.767 2.181 0.410 0.906 1.000 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 12 11.030 1.785 0.748 0.885 0.727 0.545 CB 1.058 12 residues pruned to eliminate duplicates Z: 12 8.767 1.842 0.533 0.496 0.818 0.455 CB 1.149 12 residues pruned to eliminate duplicates Z: 8 6.176 2.055 0.689 0.313 0.714 0.286 CA 1.158 9 residues pruned to eliminate duplicates Z: 16 9.858 2.161 0.003 0.421 0.733 0.467 CB 1.739 16 residues pruned to eliminate duplicates Z: 14 14.568 2.027 0.410 0.505 0.923 0.692 CA 1.524 16 residues pruned to eliminate duplicates Z: 10 10.410 1.809 0.391 0.721 1.000 0.667 CB 1.130 9 residues pruned to eliminate duplicates Z: 14 16.186 1.958 0.532 0.550 0.923 0.692 CB 1.545 14 residues pruned to eliminate duplicates Z: 16 6.372 2.053 0.245 0.189 0.800 0.467 CB 1.167 16 residues pruned to eliminate duplicates Z: 6 4.867 1.857 0.263 0.381 0.800 0.800 CA 1.317 6 residues pruned to eliminate duplicates Z: 6 5.645 1.831 0.036 0.836 1.000 0.800 CA 0.996 6 residues pruned to eliminate duplicates Z: 17 26.845 2.086 0.676 0.851 0.938 0.562 CB 1.515 17 residues pruned to eliminate duplicates Z: 14 42.404 2.400 0.988 0.896 0.923 0.615 CA 1.914 14 residues pruned to eliminate duplicates Z: 23 13.631 1.986 0.424 0.424 0.864 0.682 CA 1.287 23 residues pruned to eliminate duplicates Z: 21 16.490 2.000 0.537 0.470 0.950 0.600 CB 1.301 23 residues pruned to eliminate duplicates Z: 18 32.040 1.992 0.870 0.898 0.941 0.529 CB 1.586 18 residues pruned to eliminate duplicates Z: 35 26.119 2.104 0.657 0.534 0.912 0.529 CB 1.363 19 residues pruned to eliminate duplicates Z: 29 14.694 2.026 0.553 0.393 0.786 0.571 CA 1.258 29 residues pruned to eliminate duplicates Z: 11 8.542 1.838 0.132 0.566 0.900 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 11 12.405 1.961 0.287 0.759 0.800 0.600 CA 1.542 11 residues pruned to eliminate duplicates Z: 9 7.747 1.972 -0.025 0.510 0.875 0.625 CA 1.612 9 residues pruned to eliminate duplicates Z: 7 11.587 2.218 0.152 0.797 1.000 1.000 CA 1.427 7 residues pruned to eliminate duplicates Z: 26 24.011 2.048 0.510 0.675 0.960 0.720 CB 1.377 27 residues pruned to eliminate duplicates Z: 9 6.319 1.538 0.599 0.299 0.875 0.625 CA 1.300 Z: 11 12.058 1.964 0.524 0.494 0.900 0.500 CB 1.424 11 residues pruned to eliminate duplicates Z: 9 7.467 1.912 0.184 0.359 1.000 0.500 CA 1.358 9 residues pruned to eliminate duplicates Z: 43 36.416 2.195 0.640 0.574 0.905 0.667 CB 1.607 43 residues pruned to eliminate duplicates Z: 16 12.573 2.084 0.161 0.856 0.867 0.600 CB 1.142 16 residues pruned to eliminate duplicates Z: 22 10.256 1.998 0.478 0.223 0.810 0.476 CB 1.296 6 residues pruned to eliminate duplicates 6 1.586 1.453 0.619 0.364 0.400 0.400 CA 0.873 ? Z: 10 8.323 1.685 0.895 0.583 0.889 0.444 CB 0.902 17 residues pruned to eliminate duplicates Z: 7 6.316 2.061 0.217 0.783 0.833 0.667 CB 0.962 7 residues pruned to eliminate duplicates Z: 7 4.512 1.407 0.653 0.636 0.667 0.667 CA 1.045 7 residues pruned to eliminate duplicates Z: 9 4.971 1.708 -0.044 0.369 0.875 0.625 CB 1.415 8 residues pruned to eliminate duplicates Z: 20 11.695 1.923 0.336 0.458 0.789 0.316 CB 1.381 20 residues pruned to eliminate duplicates Z: 12 10.157 1.887 0.374 0.525 0.909 0.545 CB 1.268 12 residues pruned to eliminate duplicates Z: 6 6.363 1.544 0.416 0.584 1.000 0.800 N 1.201 Z: 7 11.705 2.172 0.751 0.521 0.833 0.500 CB 1.477 7 residues pruned to eliminate duplicates Z: 22 15.762 1.966 0.384 0.373 1.000 0.667 CA 1.448 22 residues pruned to eliminate duplicates Z: 9 10.473 1.757 0.372 0.604 1.000 0.875 CA 1.392 6 residues pruned to eliminate duplicates Z: 9 13.333 1.932 0.399 0.758 1.000 0.500 CB 1.387 9 residues pruned to eliminate duplicates Z: 6 2.223 1.693 -0.322 0.491 1.000 0.600 CB 0.874 Z: 9 14.867 2.129 0.442 0.735 1.000 0.750 CA 1.386 9 residues pruned to eliminate duplicates Z: 6 2.123 1.258 0.519 0.318 0.600 0.400 N 1.011 Z: 23 16.702 2.034 0.633 0.519 0.909 0.591 CB 1.158 24 residues pruned to eliminate duplicates Z: 47 25.731 2.170 0.556 0.385 0.848 0.543 CA 1.497 25 residues pruned to eliminate duplicates Z: 17 13.733 1.935 0.499 0.495 0.938 0.500 CB 1.270 14 residues pruned to eliminate duplicates Z: 9 7.315 1.782 0.000 0.660 1.000 0.625 CB 1.251 9 residues pruned to eliminate duplicates Z: 7 4.874 1.832 0.506 0.322 0.833 0.500 CB 1.052 Z: 33 31.459 2.128 0.642 0.612 0.938 0.625 CB 1.526 33 residues pruned to eliminate duplicates Z: 36 20.593 1.994 0.609 0.479 0.886 0.543 CA 1.252 36 residues pruned to eliminate duplicates Z: 27 14.465 1.993 0.434 0.459 0.885 0.538 CB 1.170 27 residues pruned to eliminate duplicates Z: 18 22.260 2.056 0.466 0.900 1.000 0.765 CB 1.279 18 residues pruned to eliminate duplicates Z: 6 2.115 1.490 -0.344 0.417 1.000 0.800 CB 1.055 Z: 11 5.519 1.601 0.215 0.521 0.800 0.400 CB 1.098 11 residues pruned to eliminate duplicates Z: 6 6.104 1.570 0.679 0.627 0.800 0.600 CB 1.149 Z: 18 15.322 1.979 0.438 0.732 0.882 0.706 CB 1.201 18 residues pruned to eliminate duplicates Z: 16 36.976 2.256 0.777 0.927 1.000 0.667 CA 1.669 16 residues pruned to eliminate duplicates Z: 6 4.069 1.508 0.206 0.865 1.000 0.800 CA 0.733 6 residues pruned to eliminate duplicates Z: 9 4.628 1.634 0.569 0.187 0.750 0.375 N 1.238 9 residues pruned to eliminate duplicates Z: 8 3.972 2.158 -0.147 0.343 0.857 0.571 CA 1.130 8 residues pruned to eliminate duplicates Z: 64 39.133 2.029 0.730 0.592 0.905 0.540 CB 1.422 65 residues pruned to eliminate duplicates Z: 9 5.815 1.726 0.295 0.550 0.750 0.750 CB 1.168 15 residues pruned to eliminate duplicates Z: 8 4.961 1.702 0.324 0.309 1.000 0.429 N 1.028 8 residues pruned to eliminate duplicates Z: 8 8.181 1.695 0.855 0.452 1.000 0.714 CB 1.034 9 residues pruned to eliminate duplicates Z: 8 3.037 1.360 0.529 0.318 0.714 0.571 CA 0.944 Z: 24 17.000 1.888 0.352 0.454 0.913 0.435 CB 1.595 24 residues pruned to eliminate duplicates Z: 9 4.808 1.637 0.164 0.286 0.875 0.250 CB 1.298 Z: 20 16.237 1.822 0.505 0.906 1.000 0.789 CB 0.966 20 residues pruned to eliminate duplicates Z: 32 13.207 1.870 0.300 0.313 0.839 0.484 CA 1.432 32 residues pruned to eliminate duplicates Z: 46 19.241 1.954 0.350 0.388 0.844 0.467 CB 1.450 46 residues pruned to eliminate duplicates Z: 21 15.452 2.014 0.695 0.692 0.800 0.750 CB 1.061 21 residues pruned to eliminate duplicates Z: 10 10.400 2.027 0.359 0.431 0.889 0.556 CB 1.521 10 residues pruned to eliminate duplicates Z: 38 18.764 1.818 0.331 0.591 0.838 0.676 CB 1.395 38 residues pruned to eliminate duplicates Z: 31 20.467 1.993 0.350 0.526 0.900 0.633 CB 1.504 6 residues pruned to eliminate duplicates Z: 9 9.043 1.961 0.327 0.535 0.875 0.875 CA 1.356 9 residues pruned to eliminate duplicates Z: 17 7.269 1.701 0.161 0.340 0.812 0.375 CB 1.349 Z: 14 8.678 1.885 0.139 0.362 0.846 0.462 CA 1.537 14 residues pruned to eliminate duplicates Z: 10 3.790 1.410 0.229 0.315 0.889 0.444 CB 1.006 Z: 9 9.120 1.860 0.018 0.868 1.000 0.875 CA 1.245 9 residues pruned to eliminate duplicates Z: 8 5.553 1.538 0.369 0.785 0.857 0.714 N 0.905 8 residues pruned to eliminate duplicates Z: 9 3.691 1.474 0.223 0.386 0.750 0.500 CB 1.090 9 residues pruned to eliminate duplicates Z: 22 15.207 1.975 0.535 0.510 0.952 0.619 CB 1.139 22 residues pruned to eliminate duplicates Z: 28 19.344 1.951 0.500 0.523 0.963 0.704 CB 1.292 23 residues pruned to eliminate duplicates Z: 27 15.379 1.949 0.322 0.497 0.885 0.654 CB 1.328 27 residues pruned to eliminate duplicates Z: 36 16.192 1.900 0.400 0.329 0.971 0.657 CA 1.278 36 residues pruned to eliminate duplicates Z: 21 10.965 1.796 0.306 0.339 0.950 0.500 CB 1.312 21 residues pruned to eliminate duplicates Z: 7 13.060 2.212 0.330 0.818 1.000 1.000 CA 1.375 7 residues pruned to eliminate duplicates Z: 11 10.841 1.838 0.158 0.825 0.900 0.800 CA 1.351 11 residues pruned to eliminate duplicates Z: 18 15.693 1.947 0.552 0.484 0.882 0.588 CB 1.451 18 residues pruned to eliminate duplicates Z: 7 6.968 1.922 0.788 0.476 0.667 0.333 CA 1.272 7 residues pruned to eliminate duplicates Z: 13 6.417 1.692 0.593 0.306 0.667 0.500 CB 1.279 13 residues pruned to eliminate duplicates Z: 13 7.816 1.891 0.333 0.596 0.917 0.667 CB 0.891 Z: 10 4.433 1.822 0.306 0.284 0.778 0.333 CA 1.018 10 residues pruned to eliminate duplicates Z: 60 43.591 2.196 0.604 0.591 0.932 0.492 CB 1.584 57 residues pruned to eliminate duplicates Z: 25 12.880 1.846 0.281 0.362 0.917 0.667 CB 1.408 25 residues pruned to eliminate duplicates Z: 19 8.147 1.806 0.182 0.328 1.000 0.611 CB 1.086 18 residues pruned to eliminate duplicates Z: 11 9.738 1.737 0.586 0.587 0.900 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 6 5.908 1.817 0.430 0.474 0.800 0.600 N 1.305 Z: 15 20.356 2.003 0.484 0.920 1.000 0.929 CB 1.289 15 residues pruned to eliminate duplicates Z: 16 6.498 1.810 0.355 0.276 0.600 0.533 CB 1.469 16 residues pruned to eliminate duplicates Z: 7 4.038 1.689 0.453 0.325 0.667 0.500 CB 1.221 Z: 36 32.650 2.120 0.489 0.692 0.943 0.771 CA 1.556 36 residues pruned to eliminate duplicates Z: 6 4.425 2.017 -0.061 0.610 0.600 0.400 CA 1.569 6 residues pruned to eliminate duplicates Z: 15 23.663 2.068 0.789 0.851 0.786 0.500 CB 1.610 15 residues pruned to eliminate duplicates Z: 14 11.339 1.766 0.480 0.427 1.000 0.692 CB 1.298 14 residues pruned to eliminate duplicates Z: 10 15.344 1.962 0.569 0.765 1.000 0.667 CB 1.313 10 residues pruned to eliminate duplicates Z: 26 14.219 1.953 0.467 0.370 0.840 0.520 CA 1.358 26 residues pruned to eliminate duplicates Z: 12 9.125 2.111 0.215 0.324 0.818 0.545 CA 1.592 12 residues pruned to eliminate duplicates Z: 13 4.360 1.678 0.703 0.428 0.750 0.500 CB 0.633 13 residues pruned to eliminate duplicates Z: 6 6.943 1.801 0.673 0.662 1.000 0.800 CB 0.887 Z: 43 26.274 2.093 0.472 0.522 0.857 0.690 CA 1.502 43 residues pruned to eliminate duplicates Z: 9 2.400 1.208 0.738 0.280 0.625 0.250 CA 0.829 Z: 10 8.864 2.159 0.399 0.214 1.000 0.556 CB 1.371 10 residues pruned to eliminate duplicates Z: 7 3.004 1.796 0.052 0.308 0.833 0.667 CB 0.964 Z: 20 21.209 2.075 0.308 0.886 0.947 0.737 CB 1.366 20 residues pruned to eliminate duplicates Z: 8 9.753 1.727 0.617 0.500 1.000 0.571 CA 1.320 8 residues pruned to eliminate duplicates Z: 6 2.932 1.476 0.223 0.504 0.800 0.600 C 0.904 Z: 21 14.007 2.152 0.336 0.471 0.850 0.650 CB 1.320 21 residues pruned to eliminate duplicates Z: 7 5.366 1.972 0.002 0.802 0.667 0.333 CB 1.278 7 residues pruned to eliminate duplicates 7 1.546 1.493 -0.085 0.440 0.667 0.500 N 0.737 ? Z: 10 16.715 1.898 0.702 0.655 1.000 0.889 CA 1.493 11 residues pruned to eliminate duplicates Z: 14 4.489 1.409 0.445 0.315 0.769 0.462 N 0.975 4 residues pruned to eliminate duplicates 6 1.768 1.313 0.149 0.442 0.800 0.600 N 0.695 ? Z: 7 4.205 2.009 -0.152 0.494 0.667 0.333 CA 1.521 7 residues pruned to eliminate duplicates Z: 19 32.621 2.101 0.757 0.891 0.944 0.667 CB 1.585 19 residues pruned to eliminate duplicates Z: 9 3.791 1.447 0.375 0.387 1.000 0.625 CB 0.759 Z: 31 32.229 2.082 0.382 0.771 0.967 0.833 CA 1.663 31 residues pruned to eliminate duplicates Z: 17 9.392 1.669 0.459 0.379 0.875 0.438 CA 1.254 17 residues pruned to eliminate duplicates Z: 9 10.186 1.792 0.667 0.515 1.000 0.875 CB 1.188 10 residues pruned to eliminate duplicates Z: 7 7.902 1.741 0.324 0.693 1.000 0.833 CB 1.172 Z: 10 4.693 1.603 0.246 0.370 0.889 0.556 CB 1.012 Z: 7 4.732 1.833 0.034 0.267 0.833 0.333 CB 1.595 7 residues pruned to eliminate duplicates Z: 6 6.727 1.695 0.273 0.452 1.000 0.600 CA 1.464 Z: 7 3.834 1.447 0.952 0.409 0.667 0.667 CA 0.914 Z: 20 17.357 1.957 0.235 0.806 0.895 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 10 8.564 1.875 0.258 0.631 0.889 0.556 CA 1.203 10 residues pruned to eliminate duplicates Z: 9 2.734 1.679 0.428 0.234 0.500 0.375 CB 1.098 9 residues pruned to eliminate duplicates Z: 11 10.784 1.949 0.083 0.809 0.900 0.500 CA 1.371 11 residues pruned to eliminate duplicates Z: 8 9.905 2.063 0.124 0.634 1.000 0.571 CB 1.423 8 residues pruned to eliminate duplicates Z: 12 4.926 1.820 0.172 0.377 0.818 0.636 CB 0.970 12 residues pruned to eliminate duplicates Z: 8 7.793 1.673 0.180 0.812 0.857 0.714 CB 1.327 Z: 11 5.788 1.862 0.339 0.319 0.800 0.300 CB 1.121 9 residues pruned to eliminate duplicates Z: 7 6.264 1.782 0.969 0.472 1.000 0.833 CB 0.750 8 residues pruned to eliminate duplicates Z: 17 11.939 1.724 0.679 0.457 0.812 0.625 CB 1.326 17 residues pruned to eliminate duplicates Z: 6 2.410 1.487 0.767 0.405 0.400 0.400 CA 1.133 Z: 19 15.051 1.962 0.584 0.490 0.889 0.444 CA 1.297 19 residues pruned to eliminate duplicates Z: 8 7.600 1.842 0.380 0.471 1.000 0.429 CA 1.164 8 residues pruned to eliminate duplicates Z: 7 5.390 1.854 0.014 0.641 1.000 0.833 CB 1.026 Z: 7 3.807 1.479 0.553 0.428 0.667 0.333 O 1.093 7 residues pruned to eliminate duplicates Z: 7 6.760 1.374 0.919 0.705 0.833 0.500 CA 1.043 Z: 6 5.110 1.769 0.267 0.600 0.800 0.800 CB 1.159 Z: 18 10.156 1.923 0.194 0.412 0.941 0.706 CA 1.250 18 residues pruned to eliminate duplicates Z: 16 15.034 2.112 0.377 0.398 0.933 0.733 CA 1.593 16 residues pruned to eliminate duplicates Z: 7 3.088 1.600 0.762 0.280 0.667 0.500 CB 0.860 Z: 22 13.278 1.963 0.198 0.391 0.952 0.714 CA 1.452 22 residues pruned to eliminate duplicates Z: 8 3.278 1.724 0.250 0.486 0.714 0.429 CB 0.816 Z: 40 24.724 2.019 0.574 0.471 0.897 0.590 CB 1.430 40 residues pruned to eliminate duplicates Z: 29 26.515 2.118 0.326 0.682 0.929 0.821 CA 1.626 29 residues pruned to eliminate duplicates Z: 8 8.659 2.059 0.122 0.890 1.000 0.571 CB 1.019 8 residues pruned to eliminate duplicates Z: 6 2.753 1.419 -0.396 0.720 1.000 0.600 CB 1.178 Z: 12 10.002 1.897 0.031 0.863 0.909 0.818 CA 1.244 12 residues pruned to eliminate duplicates Z: 10 9.365 1.837 0.741 0.499 0.889 0.444 CB 1.098 13 residues pruned to eliminate duplicates Z: 6 2.288 1.365 -0.034 0.434 1.000 0.400 N 0.831 6 residues pruned to eliminate duplicates Z: 8 6.058 1.648 0.683 0.661 0.857 0.714 CB 0.830 Z: 15 6.633 1.732 0.617 0.277 0.714 0.500 CB 1.141 Z: 12 3.923 1.306 0.577 0.338 0.636 0.273 CA 1.077 Z: 11 8.010 1.831 0.337 0.515 0.900 0.600 CB 1.133 11 residues pruned to eliminate duplicates Z: 27 17.466 1.948 0.274 0.571 0.962 0.654 CB 1.341 27 residues pruned to eliminate duplicates Z: 58 26.211 2.023 0.581 0.473 0.842 0.544 CB 1.325 58 residues pruned to eliminate duplicates Z: 6 2.654 1.769 -0.108 0.253 0.800 0.200 CB 1.248 Z: 8 6.721 1.918 0.398 0.546 0.714 0.571 CA 1.268 7 residues pruned to eliminate duplicates Z: 7 2.167 1.435 0.104 0.514 0.667 0.500 N 0.826 Z: 7 4.339 1.740 0.156 0.392 0.833 0.500 CB 1.186 7 residues pruned to eliminate duplicates 6 1.190 1.355 0.163 0.300 0.600 0.400 N 0.703 ? Z: 9 8.678 1.698 0.524 0.402 1.000 0.500 CB 1.314 Z: 8 2.711 1.459 0.135 0.302 0.857 0.429 CB 0.901 Z: 12 10.435 1.864 0.354 0.541 1.000 0.545 CB 1.197 12 residues pruned to eliminate duplicates Z: 10 9.001 2.174 -0.233 0.862 1.000 0.889 CB 1.320 10 residues pruned to eliminate duplicates Z: 8 5.946 1.766 -0.090 0.735 1.000 0.714 CB 1.133 10 residues pruned to eliminate duplicates Z: 17 11.349 1.901 0.250 0.436 1.000 0.625 CA 1.275 25 residues pruned to eliminate duplicates Z: 9 8.144 1.763 0.070 0.672 0.875 0.375 CA 1.488 9 residues pruned to eliminate duplicates Z: 9 3.717 1.407 0.353 0.339 0.875 0.500 CB 0.940 Z: 9 10.062 1.828 0.717 0.686 1.000 0.750 CB 0.956 9 residues pruned to eliminate duplicates Z: 7 3.867 1.595 0.669 0.248 0.667 0.333 CA 1.189 Z: 6 2.054 1.229 0.303 0.700 0.800 0.600 N 0.598 Z: 6 8.189 1.643 0.382 0.821 1.000 1.000 CB 1.221 6 residues pruned to eliminate duplicates Z: 8 6.217 1.875 0.208 0.670 0.857 0.714 CA 1.034 6 residues pruned to eliminate duplicates Z: 10 7.402 1.922 0.528 0.363 0.667 0.444 CB 1.460 10 residues pruned to eliminate duplicates Z: 20 26.984 2.173 0.439 0.895 0.947 0.789 CB 1.498 20 residues pruned to eliminate duplicates Z: 18 27.716 2.120 0.703 0.749 0.882 0.706 CB 1.688 18 residues pruned to eliminate duplicates Z: 20 13.302 2.115 0.767 0.332 0.789 0.474 CA 1.244 20 residues pruned to eliminate duplicates Z: 9 7.317 1.702 0.433 0.494 0.875 0.375 CA 1.220 9 residues pruned to eliminate duplicates Z: 16 20.996 2.149 0.511 0.926 1.000 0.867 CB 1.171 16 residues pruned to eliminate duplicates Z: 9 11.191 1.999 0.786 0.411 0.875 0.750 CB 1.390 Z: 13 7.372 2.097 0.130 0.194 0.833 0.417 CB 1.553 13 residues pruned to eliminate duplicates Z: 14 11.807 1.899 0.492 0.489 0.769 0.692 CB 1.519 14 residues pruned to eliminate duplicates Z: 6 4.626 1.747 0.323 0.783 1.000 0.600 CB 0.698 6 residues pruned to eliminate duplicates Z: 36 18.249 1.996 0.445 0.441 0.857 0.600 CB 1.326 36 residues pruned to eliminate duplicates Z: 6 3.095 1.517 -0.075 0.687 0.800 0.800 N 1.040 Z: 6 2.392 1.821 0.380 0.272 0.600 0.400 CA 0.919 6 residues pruned to eliminate duplicates 7 1.465 1.600 0.027 0.287 0.500 0.333 CB 0.926 ? Z: 27 10.633 1.786 0.433 0.377 0.846 0.462 CB 1.099 27 residues pruned to eliminate duplicates Z: 10 3.357 1.362 0.483 0.246 0.889 0.556 CB 0.835 Z: 33 24.453 2.016 0.441 0.613 0.906 0.750 CB 1.476 33 residues pruned to eliminate duplicates Z: 8 14.958 1.975 0.372 0.859 1.000 1.000 CA 1.535 8 residues pruned to eliminate duplicates Z: 15 6.601 1.553 0.466 0.441 0.857 0.571 CA 0.961 15 residues pruned to eliminate duplicates 6 0.636 1.569 1.358 0.420 0.600 0.400 CB 0.139 ? Z: 7 2.720 1.534 0.590 0.530 0.833 0.500 N 0.530 Z: 6 2.814 1.644 -0.305 0.458 0.800 0.800 N 1.438 Z: 7 3.136 1.403 0.321 0.313 1.000 0.500 CB 0.850 Z: 10 10.678 2.010 0.367 0.540 0.889 0.667 CB 1.401 10 residues pruned to eliminate duplicates Z: 19 20.227 2.029 0.559 0.843 0.833 0.444 CB 1.346 19 residues pruned to eliminate duplicates Z: 6 4.808 1.319 0.120 0.871 1.000 1.000 CA 1.062 Z: 9 10.260 1.831 0.404 0.634 0.875 0.750 CB 1.422 9 residues pruned to eliminate duplicates Z: 49 29.615 2.057 0.366 0.593 0.896 0.646 CB 1.554 49 residues pruned to eliminate duplicates Z: 6 2.677 1.649 0.152 0.451 0.600 0.600 CB 1.105 4 residues pruned to eliminate duplicates Z: 6 2.496 1.266 0.133 0.524 0.800 0.600 CA 0.949 Z: 10 5.034 1.645 0.334 0.390 0.889 0.444 CB 0.967 Z: 10 8.186 1.810 -0.005 0.708 0.889 0.556 CB 1.412 10 residues pruned to eliminate duplicates Z: 6 3.057 1.436 0.459 0.625 0.800 0.800 N 0.725 6 residues pruned to eliminate duplicates Z: 10 14.668 1.964 0.625 0.764 1.000 0.667 CB 1.212 9 residues pruned to eliminate duplicates Z: 21 17.798 2.048 0.527 0.533 0.900 0.550 CB 1.369 21 residues pruned to eliminate duplicates Z: 10 12.330 1.885 0.353 0.850 0.889 0.667 CB 1.343 10 residues pruned to eliminate duplicates Z: 6 2.553 1.378 0.329 0.299 0.800 0.400 O 0.975 Z: 16 9.329 1.831 0.229 0.429 0.800 0.600 CB 1.440 16 residues pruned to eliminate duplicates Z: 9 12.717 2.064 0.402 0.721 0.875 0.750 CA 1.454 9 residues pruned to eliminate duplicates Z: 9 8.967 1.963 0.169 0.541 0.875 0.625 CA 1.515 9 residues pruned to eliminate duplicates Z: 28 9.725 1.753 0.442 0.348 0.741 0.370 CB 1.178 28 residues pruned to eliminate duplicates Z: 28 18.902 2.012 0.489 0.627 0.889 0.593 CB 1.211 28 residues pruned to eliminate duplicates Z: 28 18.362 2.000 0.617 0.498 0.926 0.630 CB 1.183 28 residues pruned to eliminate duplicates Z: 19 15.639 1.999 0.327 0.471 1.000 0.667 CB 1.432 19 residues pruned to eliminate duplicates Z: 27 21.705 2.058 0.372 0.550 0.885 0.615 CB 1.622 27 residues pruned to eliminate duplicates 7 1.886 1.463 0.423 0.242 0.500 0.333 N 0.997 ? Z: 14 11.505 2.037 0.307 0.346 1.000 0.769 CA 1.418 14 residues pruned to eliminate duplicates Z: 8 2.207 1.296 0.286 0.252 0.714 0.429 CA 0.932 Z: 7 3.576 1.605 0.020 0.461 0.833 0.667 CA 1.114 Z: 16 10.996 2.039 0.197 0.368 0.800 0.467 CA 1.675 16 residues pruned to eliminate duplicates Z: 8 6.002 1.901 -0.080 0.639 0.857 0.714 CB 1.329 8 residues pruned to eliminate duplicates Z: 16 19.133 2.003 0.690 0.905 0.933 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 25 7.401 1.750 0.555 0.246 0.625 0.292 CA 1.190 25 residues pruned to eliminate duplicates Z: 20 34.720 2.147 0.830 0.899 0.895 0.474 CB 1.620 20 residues pruned to eliminate duplicates Z: 7 2.633 1.677 0.133 0.365 0.500 0.500 CA 1.308 6 residues pruned to eliminate duplicates Z: 13 14.408 2.041 0.628 0.449 1.000 0.417 CB 1.318 13 residues pruned to eliminate duplicates Z: 19 10.145 1.943 0.376 0.367 0.889 0.500 CB 1.161 19 residues pruned to eliminate duplicates Z: 45 19.223 2.005 0.274 0.405 0.864 0.523 CA 1.452 45 residues pruned to eliminate duplicates Z: 6 2.435 1.342 0.362 0.508 0.600 0.600 O 0.985 6 residues pruned to eliminate duplicates Z: 7 3.247 1.149 0.173 0.665 1.000 0.833 O 0.845 Z: 12 14.425 1.889 0.185 0.916 1.000 0.909 CB 1.372 12 residues pruned to eliminate duplicates Z: 9 11.599 1.785 0.470 0.705 1.000 0.875 CA 1.297 9 residues pruned to eliminate duplicates Z: 7 6.965 1.722 0.457 0.443 1.000 0.333 CB 1.201 7 residues pruned to eliminate duplicates 8 1.379 1.409 -0.029 0.213 0.714 0.429 C 0.748 ? Z: 6 2.299 1.299 0.634 0.451 0.600 0.400 CB 0.849 Z: 14 9.615 1.918 0.400 0.433 0.846 0.769 CB 1.259 14 residues pruned to eliminate duplicates Z: 12 17.780 2.005 0.206 0.872 1.000 0.727 CA 1.615 12 residues pruned to eliminate duplicates Z: 12 8.493 1.787 0.599 0.573 0.818 0.727 CB 1.021 12 residues pruned to eliminate duplicates Z: 8 4.948 1.619 0.118 0.463 1.000 0.714 CB 1.072 Z: 8 4.594 1.498 0.177 0.845 0.857 0.429 CA 0.855 Z: 24 9.462 1.727 0.306 0.384 0.957 0.391 CB 1.035 24 residues pruned to eliminate duplicates Z: 6 5.678 1.455 0.559 0.753 1.000 1.000 N 0.893 Z: 8 2.102 1.492 0.168 0.213 0.571 0.286 CB 1.119 Z: 10 6.876 1.818 0.263 0.594 0.889 0.667 CA 1.027 10 residues pruned to eliminate duplicates Z: 7 2.400 1.335 0.534 0.341 0.833 0.667 CB 0.683 Z: 9 2.826 1.377 0.643 0.218 0.625 0.375 N 0.983 Z: 27 12.801 1.861 0.283 0.383 0.923 0.654 CA 1.291 27 residues pruned to eliminate duplicates Z: 20 14.800 1.930 0.570 0.506 0.947 0.789 CA 1.175 20 residues pruned to eliminate duplicates Z: 14 17.808 2.027 0.866 0.865 0.846 0.462 CB 1.130 14 residues pruned to eliminate duplicates Z: 8 2.962 1.475 0.282 0.467 0.857 0.286 CB 0.714 Z: 28 16.494 2.009 0.371 0.415 0.852 0.556 CB 1.479 28 residues pruned to eliminate duplicates Z: 24 12.090 1.895 0.355 0.298 0.870 0.391 CB 1.415 24 residues pruned to eliminate duplicates Z: 9 7.146 1.772 0.490 0.771 0.750 0.750 CB 1.004 9 residues pruned to eliminate duplicates Z: 27 10.835 1.776 0.244 0.385 0.846 0.500 CA 1.285 27 residues pruned to eliminate duplicates Z: 6 2.749 1.329 0.196 0.534 0.800 0.600 N 0.935 Z: 8 3.055 1.625 -0.181 0.693 0.857 0.571 C 0.848 Z: 30 22.444 2.152 0.622 0.468 0.897 0.586 CB 1.376 30 residues pruned to eliminate duplicates Z: 47 20.072 2.048 0.366 0.365 0.804 0.478 CB 1.520 47 residues pruned to eliminate duplicates Z: 15 6.893 1.773 0.181 0.446 0.786 0.500 N 1.183 15 residues pruned to eliminate duplicates Z: 6 2.483 1.664 0.006 0.518 0.800 0.600 CB 0.815 6 residues pruned to eliminate duplicates Z: 8 13.100 1.878 0.576 0.896 0.857 0.857 CA 1.398 8 residues pruned to eliminate duplicates 6 1.311 1.199 0.949 0.299 0.600 0.400 CB 0.523 ? Z: 14 4.214 1.635 0.322 0.264 0.769 0.538 CB 0.920 14 residues pruned to eliminate duplicates Z: 16 13.081 1.949 0.446 0.486 0.933 0.400 CB 1.303 16 residues pruned to eliminate duplicates Z: 43 24.433 2.021 0.406 0.555 0.905 0.643 CA 1.390 43 residues pruned to eliminate duplicates Z: 13 6.223 1.763 0.228 0.399 0.667 0.333 CA 1.384 8 residues pruned to eliminate duplicates Z: 6 2.300 1.270 0.394 0.294 0.800 0.600 N 0.915 Z: 7 2.466 1.743 -0.044 0.178 0.833 0.500 N 1.069 7 residues pruned to eliminate duplicates Z: 17 33.859 2.119 0.806 0.868 0.938 0.562 CB 1.725 17 residues pruned to eliminate duplicates Z: 14 18.346 2.147 0.516 0.875 0.923 0.615 CA 1.232 14 residues pruned to eliminate duplicates Z: 22 13.198 1.974 0.216 0.396 0.905 0.714 CA 1.479 22 residues pruned to eliminate duplicates Z: 13 9.973 1.809 0.490 0.396 0.917 0.417 CA 1.300 13 residues pruned to eliminate duplicates Z: 28 30.984 2.086 0.555 0.673 0.926 0.667 CA 1.692 28 residues pruned to eliminate duplicates Z: 7 10.504 2.165 0.232 0.803 1.000 1.000 CA 1.234 7 residues pruned to eliminate duplicates Z: 6 3.186 1.463 0.163 0.438 1.000 0.400 CB 0.893 Z: 8 8.623 1.892 0.632 0.382 0.857 0.571 CB 1.396 8 residues pruned to eliminate duplicates Z: 8 5.651 1.735 -0.111 0.671 1.000 0.714 CB 1.183 Z: 8 2.766 1.379 0.304 0.310 0.857 0.429 CB 0.836 Z: 9 3.944 1.365 0.321 0.444 1.000 0.500 CB 0.819 9 residues pruned to eliminate duplicates Z: 7 2.292 1.495 0.131 0.323 0.667 0.333 N 1.008 5 residues pruned to eliminate duplicates Z: 10 8.930 1.814 0.469 0.651 0.889 0.667 CB 1.091 11 residues pruned to eliminate duplicates Z: 29 27.927 2.025 0.421 0.697 0.964 0.786 CA 1.589 29 residues pruned to eliminate duplicates Z: 9 6.138 1.674 0.326 0.449 0.875 0.625 CB 1.178 Z: 14 11.289 1.671 0.553 0.496 0.846 0.462 CA 1.431 14 residues pruned to eliminate duplicates Z: 7 5.339 1.568 -0.084 0.639 1.000 0.833 CB 1.332 Z: 9 2.393 1.357 0.166 0.340 0.750 0.375 CB 0.848 Z: 12 4.364 1.668 0.494 0.495 0.818 0.545 CB 0.649 12 residues pruned to eliminate duplicates Z: 19 21.411 1.976 0.785 0.919 0.944 0.611 CB 1.068 19 residues pruned to eliminate duplicates Z: 25 18.056 2.030 0.337 0.660 0.875 0.708 CB 1.338 25 residues pruned to eliminate duplicates Z: 7 9.577 1.615 0.753 0.698 1.000 0.833 CA 1.153 7 residues pruned to eliminate duplicates Z: 10 5.569 1.770 0.048 0.690 0.889 0.889 CA 0.947 10 residues pruned to eliminate duplicates Z: 10 5.270 1.680 0.298 0.401 1.000 0.778 CB 0.895 8 residues pruned to eliminate duplicates Z: 6 4.381 1.626 0.152 0.481 1.000 0.600 CB 1.067 Z: 12 3.657 1.552 0.326 0.378 0.818 0.545 CB 0.746 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 12.289 2.154 0.232 0.746 1.000 0.857 CA 1.406 9 residues pruned to eliminate duplicates Z: 6 2.401 1.478 0.471 0.193 0.600 0.200 CB 1.187 Z: 6 4.514 1.484 0.812 0.253 1.000 0.200 CA 0.998 6 residues pruned to eliminate duplicates Z: 15 10.050 1.754 0.367 0.405 0.857 0.643 CB 1.444 9 residues pruned to eliminate duplicates Z: 6 3.536 1.723 0.084 0.339 1.000 0.600 N 1.009 6 residues pruned to eliminate duplicates Z: 10 12.037 2.049 0.330 0.660 0.889 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 10 18.523 2.063 0.688 0.744 1.000 0.778 CB 1.425 10 residues pruned to eliminate duplicates Z: 11 12.071 1.973 0.386 0.555 1.000 0.600 CA 1.322 11 residues pruned to eliminate duplicates Z: 8 16.916 2.303 0.517 0.726 1.000 0.571 CA 1.493 8 residues pruned to eliminate duplicates Z: 9 20.753 2.241 0.653 0.799 1.000 0.625 CA 1.525 9 residues pruned to eliminate duplicates Z: 14 8.835 1.731 0.618 0.371 0.923 0.462 CB 1.088 11 residues pruned to eliminate duplicates Z: 6 4.249 1.661 0.075 0.350 1.000 0.600 CB 1.251 7 residues pruned to eliminate duplicates Z: 16 9.545 1.901 0.320 0.452 0.867 0.667 CB 1.191 14 residues pruned to eliminate duplicates Z: 6 4.860 1.675 0.769 0.346 1.000 0.600 CB 0.868 6 residues pruned to eliminate duplicates Z: 12 8.999 1.958 0.042 0.538 1.000 0.818 CB 1.280 12 residues pruned to eliminate duplicates Z: 12 11.530 1.984 0.229 0.570 1.000 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 8.873 1.944 0.077 0.540 1.000 0.833 CB 1.177 13 residues pruned to eliminate duplicates Z: 16 8.289 1.900 0.060 0.489 0.933 0.800 CB 1.150 16 residues pruned to eliminate duplicates Z: 13 9.678 1.904 0.048 0.553 1.000 0.583 CB 1.330 13 residues pruned to eliminate duplicates Z: 14 9.432 1.894 0.235 0.421 1.000 0.615 CB 1.214 14 residues pruned to eliminate duplicates Z: 14 8.947 1.980 0.168 0.570 0.923 0.846 CB 1.086 14 residues pruned to eliminate duplicates Z: 12 5.240 1.897 0.107 0.206 0.818 0.455 CB 1.303 12 residues pruned to eliminate duplicates Z: 8 6.845 1.547 0.530 0.679 0.857 0.286 N 1.081 Z: 6 3.193 1.409 0.023 0.651 0.800 0.400 N 1.076 6 residues pruned to eliminate duplicates Z: 13 8.535 1.380 0.716 0.628 0.833 0.500 CB 1.106 8 residues pruned to eliminate duplicates Z: 7 6.661 1.701 0.339 0.678 0.833 0.333 CA 1.216 7 residues pruned to eliminate duplicates Z: 10 4.190 1.694 0.419 0.264 0.667 0.444 CB 1.141 6 residues pruned to eliminate duplicates Z: 7 4.275 1.714 0.381 0.411 0.833 0.500 CA 0.972 7 residues pruned to eliminate duplicates Z: 11 5.508 1.585 0.463 0.299 0.900 0.400 CB 1.045 10 residues pruned to eliminate duplicates Z: 6 7.652 1.929 1.101 0.399 0.800 0.400 CA 1.175 6 residues pruned to eliminate duplicates Z: 13 12.177 1.890 0.497 0.467 0.917 0.500 CB 1.402 10 residues pruned to eliminate duplicates Z: 9 5.331 1.840 0.205 0.440 0.625 0.250 CB 1.447 7 residues pruned to eliminate duplicates Z: 27 14.024 1.999 0.420 0.390 0.769 0.538 CA 1.414 26 residues pruned to eliminate duplicates Z: 20 9.482 2.050 0.236 0.437 0.684 0.474 CB 1.339 24 residues pruned to eliminate duplicates Z: 25 13.114 1.978 0.394 0.391 0.833 0.542 CA 1.307 25 residues pruned to eliminate duplicates Z: 14 9.900 1.963 0.463 0.347 0.846 0.692 CA 1.334 14 residues pruned to eliminate duplicates Z: 24 13.981 2.066 0.270 0.413 0.826 0.652 CA 1.474 24 residues pruned to eliminate duplicates Z: 24 13.533 2.057 0.311 0.418 0.783 0.609 CA 1.457 24 residues pruned to eliminate duplicates Z: 25 14.332 2.040 0.393 0.383 0.792 0.542 CA 1.473 25 residues pruned to eliminate duplicates Z: 23 14.339 2.076 0.382 0.424 0.818 0.591 CA 1.409 23 residues pruned to eliminate duplicates Z: 24 11.669 2.029 0.380 0.400 0.739 0.522 CA 1.305 24 residues pruned to eliminate duplicates Z: 15 10.432 1.999 0.246 0.324 0.857 0.714 CB 1.584 15 residues pruned to eliminate duplicates Z: 23 14.587 2.096 0.269 0.416 0.864 0.591 CA 1.477 23 residues pruned to eliminate duplicates Z: 29 12.820 1.778 0.498 0.390 0.821 0.607 CA 1.245 29 residues pruned to eliminate duplicates Z: 22 15.499 1.910 0.555 0.414 0.905 0.571 CA 1.377 22 residues pruned to eliminate duplicates Z: 26 14.330 2.033 0.383 0.422 0.760 0.560 CA 1.456 26 residues pruned to eliminate duplicates Z: 26 16.601 2.007 0.508 0.438 0.800 0.600 CA 1.462 26 residues pruned to eliminate duplicates Z: 6 4.113 1.640 0.641 0.457 1.000 0.600 CB 0.714 6 residues pruned to eliminate duplicates Z: 11 4.638 1.816 0.403 0.316 0.700 0.300 CA 1.007 11 residues pruned to eliminate duplicates Z: 23 10.464 1.903 0.545 0.293 0.818 0.500 CA 1.170 23 residues pruned to eliminate duplicates Z: 26 10.780 1.935 0.265 0.366 0.800 0.520 CA 1.272 26 residues pruned to eliminate duplicates Z: 9 4.850 2.063 0.535 0.259 0.625 0.500 CA 1.140 8 residues pruned to eliminate duplicates Z: 9 5.776 2.075 0.453 0.270 0.750 0.250 CA 1.173 9 residues pruned to eliminate duplicates Z: 18 14.655 1.905 0.527 0.421 0.882 0.529 CB 1.504 17 residues pruned to eliminate duplicates Z: 9 7.862 1.688 0.777 0.522 0.875 0.625 CA 1.036 9 residues pruned to eliminate duplicates Z: 17 17.186 1.989 0.511 0.533 0.938 0.688 CB 1.476 18 residues pruned to eliminate duplicates Z: 6 3.716 1.766 0.552 0.615 0.600 0.400 CA 0.906 6 residues pruned to eliminate duplicates Z: 17 16.128 1.982 0.554 0.472 0.875 0.562 CB 1.540 17 residues pruned to eliminate duplicates Z: 7 6.845 1.926 0.755 0.449 0.667 0.333 CA 1.307 7 residues pruned to eliminate duplicates Z: 17 18.378 1.964 0.574 0.495 1.000 0.562 CB 1.494 17 residues pruned to eliminate duplicates Z: 6 4.602 1.814 0.356 0.402 1.000 0.200 CA 0.927 6 residues pruned to eliminate duplicates Z: 11 6.462 1.889 0.513 0.359 0.700 0.400 CA 1.189 11 residues pruned to eliminate duplicates Z: 13 5.819 1.736 0.373 0.273 0.833 0.417 CA 1.095 13 residues pruned to eliminate duplicates Z: 10 7.168 1.923 0.409 0.430 0.778 0.333 CA 1.219 10 residues pruned to eliminate duplicates Z: 11 6.879 1.892 0.691 0.408 0.800 0.400 CA 0.936 15 residues pruned to eliminate duplicates Z: 7 5.350 1.855 -0.050 0.465 1.000 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 36 13.389 1.869 0.225 0.335 0.914 0.514 CB 1.295 36 residues pruned to eliminate duplicates Z: 23 10.036 1.946 0.161 0.308 0.909 0.636 CB 1.290 23 residues pruned to eliminate duplicates Z: 36 14.548 1.869 0.375 0.289 0.914 0.400 CB 1.326 36 residues pruned to eliminate duplicates Z: 23 12.122 1.877 0.445 0.293 0.864 0.545 CB 1.391 23 residues pruned to eliminate duplicates Z: 43 13.603 1.822 0.333 0.319 0.833 0.524 CB 1.266 43 residues pruned to eliminate duplicates Z: 22 11.531 1.956 0.299 0.318 0.905 0.619 CB 1.339 22 residues pruned to eliminate duplicates Z: 42 16.727 1.918 0.357 0.321 0.878 0.537 CB 1.392 42 residues pruned to eliminate duplicates Z: 31 14.878 1.883 0.447 0.342 0.900 0.633 CB 1.317 31 residues pruned to eliminate duplicates Z: 14 11.195 2.011 0.464 0.298 0.923 0.615 CA 1.431 14 residues pruned to eliminate duplicates Z: 24 10.544 1.905 0.267 0.266 0.870 0.565 CB 1.368 24 residues pruned to eliminate duplicates Z: 30 14.341 1.871 0.380 0.350 0.966 0.483 CB 1.256 30 residues pruned to eliminate duplicates Z: 39 14.223 1.847 0.347 0.300 0.842 0.605 CB 1.376 39 residues pruned to eliminate duplicates Z: 36 15.757 1.914 0.394 0.333 0.857 0.629 CB 1.398 36 residues pruned to eliminate duplicates Z: 10 4.694 1.617 0.434 0.349 0.778 0.556 CB 1.022 10 residues pruned to eliminate duplicates Z: 36 12.716 1.892 0.375 0.292 0.829 0.486 CB 1.259 36 residues pruned to eliminate duplicates Z: 9 4.816 1.756 0.788 0.227 0.750 0.375 CB 0.995 9 residues pruned to eliminate duplicates Z: 17 7.629 1.768 0.572 0.272 0.750 0.312 CB 1.186 17 residues pruned to eliminate duplicates Z: 9 3.028 1.599 0.262 0.191 0.875 0.500 N 0.878 9 residues pruned to eliminate duplicates Z: 7 2.901 1.863 0.452 0.379 0.500 0.167 CB 0.996 7 residues pruned to eliminate duplicates Z: 28 9.362 1.776 0.371 0.338 0.852 0.333 CB 1.035 28 residues pruned to eliminate duplicates Z: 9 3.964 1.788 0.250 0.291 0.625 0.375 CB 1.269 9 residues pruned to eliminate duplicates Z: 14 6.966 1.611 0.599 0.223 0.846 0.231 CB 1.226 14 residues pruned to eliminate duplicates Z: 30 11.115 1.819 0.458 0.264 0.828 0.552 CB 1.232 30 residues pruned to eliminate duplicates Z: 11 7.385 1.792 0.718 0.449 0.800 0.500 CB 0.999 11 residues pruned to eliminate duplicates Z: 19 8.286 1.743 0.583 0.305 0.722 0.278 CB 1.217 19 residues pruned to eliminate duplicates Z: 28 11.083 1.862 0.397 0.372 0.741 0.407 CB 1.269 28 residues pruned to eliminate duplicates Z: 25 9.371 1.820 0.548 0.321 0.708 0.375 CB 1.168 25 residues pruned to eliminate duplicates Z: 28 12.678 1.898 0.326 0.406 0.852 0.370 CB 1.256 28 residues pruned to eliminate duplicates Z: 28 11.765 1.887 0.439 0.408 0.778 0.370 CB 1.181 28 residues pruned to eliminate duplicates Z: 42 15.308 1.936 0.250 0.330 0.854 0.415 CB 1.394 42 residues pruned to eliminate duplicates Z: 18 9.924 1.891 0.284 0.466 0.824 0.471 CB 1.247 19 residues pruned to eliminate duplicates 6 1.378 1.439 0.037 0.360 0.600 0.200 CA 0.801 ? Z: 7 4.173 1.615 0.455 0.365 0.833 0.500 CB 1.006 7 residues pruned to eliminate duplicates Z: 10 11.003 2.005 0.404 0.566 0.889 0.444 CB 1.375 10 residues pruned to eliminate duplicates Z: 11 10.253 1.927 0.527 0.515 0.900 0.400 CB 1.206 11 residues pruned to eliminate duplicates Z: 11 11.288 1.943 0.323 0.538 0.900 0.500 CB 1.487 11 residues pruned to eliminate duplicates Z: 11 9.605 1.867 0.311 0.470 0.900 0.400 CA 1.421 11 residues pruned to eliminate duplicates Z: 10 13.767 2.057 0.606 0.606 0.889 0.444 CB 1.413 10 residues pruned to eliminate duplicates 7 1.246 1.262 -0.239 0.340 0.833 0.500 CA 0.757 ? Z: 7 7.630 1.991 0.616 0.444 0.667 0.333 CB 1.537 7 residues pruned to eliminate duplicates Z: 15 12.505 2.174 0.144 0.417 0.857 0.571 CB 1.710 15 residues pruned to eliminate duplicates Z: 14 10.475 2.229 0.012 0.395 0.846 0.538 CB 1.700 14 residues pruned to eliminate duplicates Z: 14 11.114 2.258 0.070 0.358 0.846 0.538 CA 1.757 14 residues pruned to eliminate duplicates Z: 20 10.166 2.040 0.134 0.388 0.737 0.526 CB 1.540 20 residues pruned to eliminate duplicates Z: 18 7.807 2.004 0.286 0.307 0.647 0.353 CA 1.406 18 residues pruned to eliminate duplicates Z: 16 15.585 2.189 0.339 0.451 0.867 0.467 CA 1.666 16 residues pruned to eliminate duplicates Z: 12 11.043 2.258 0.286 0.348 0.818 0.364 CB 1.653 12 residues pruned to eliminate duplicates Z: 47 23.931 2.107 0.397 0.402 0.870 0.543 CB 1.528 48 residues pruned to eliminate duplicates Z: 9 10.135 2.006 0.415 0.354 1.000 0.375 CB 1.478 9 residues pruned to eliminate duplicates Z: 31 17.201 2.003 0.363 0.374 0.867 0.467 CB 1.518 31 residues pruned to eliminate duplicates Z: 13 6.582 1.912 0.335 0.161 0.833 0.250 CA 1.351 13 residues pruned to eliminate duplicates Z: 29 18.463 2.057 0.395 0.392 0.893 0.464 CB 1.526 29 residues pruned to eliminate duplicates Z: 29 16.504 2.052 0.265 0.373 0.893 0.464 CB 1.540 29 residues pruned to eliminate duplicates Z: 19 11.450 2.054 0.243 0.284 0.889 0.500 CA 1.517 19 residues pruned to eliminate duplicates Z: 29 15.734 2.032 0.387 0.378 0.786 0.536 CB 1.529 29 residues pruned to eliminate duplicates Z: 23 14.424 2.046 0.441 0.301 0.818 0.364 CA 1.591 23 residues pruned to eliminate duplicates Z: 28 16.432 2.083 0.326 0.349 0.889 0.593 CB 1.517 28 residues pruned to eliminate duplicates Z: 18 11.543 2.048 0.302 0.284 0.882 0.529 CA 1.518 18 residues pruned to eliminate duplicates Z: 18 13.046 2.069 0.431 0.340 0.824 0.647 CB 1.544 18 residues pruned to eliminate duplicates Z: 29 16.542 2.057 0.356 0.383 0.857 0.500 CB 1.481 29 residues pruned to eliminate duplicates Z: 29 19.415 2.053 0.484 0.406 0.857 0.536 CB 1.552 29 residues pruned to eliminate duplicates Z: 20 14.962 1.903 0.526 0.466 0.789 0.632 CB 1.551 20 residues pruned to eliminate duplicates Z: 30 18.836 2.066 0.422 0.414 0.897 0.448 CB 1.452 30 residues pruned to eliminate duplicates Z: 29 19.509 2.054 0.385 0.430 0.929 0.464 CB 1.501 29 residues pruned to eliminate duplicates Z: 47 20.276 2.069 0.419 0.402 0.783 0.587 CB 1.442 47 residues pruned to eliminate duplicates Z: 29 17.663 2.045 0.331 0.424 0.893 0.500 CB 1.486 29 residues pruned to eliminate duplicates Z: 16 11.358 1.947 0.335 0.406 1.000 0.600 CA 1.246 26 residues pruned to eliminate duplicates Z: 6 8.488 1.911 0.512 0.650 1.000 1.000 CA 1.143 6 residues pruned to eliminate duplicates Z: 19 11.066 1.888 0.328 0.431 1.000 0.722 CB 1.117 19 residues pruned to eliminate duplicates Z: 17 9.725 1.896 0.324 0.332 0.938 0.625 CB 1.241 17 residues pruned to eliminate duplicates Z: 11 7.272 1.970 0.183 0.467 0.900 0.600 CA 1.134 11 residues pruned to eliminate duplicates Z: 18 10.449 1.871 0.379 0.386 0.882 0.588 CA 1.256 18 residues pruned to eliminate duplicates Z: 33 15.189 1.944 0.374 0.389 0.938 0.531 CB 1.206 34 residues pruned to eliminate duplicates Z: 7 4.337 1.596 0.325 0.425 0.833 0.833 CA 1.086 7 residues pruned to eliminate duplicates Z: 22 18.118 2.080 0.565 0.529 0.905 0.619 CB 1.304 22 residues pruned to eliminate duplicates Z: 25 16.987 1.987 0.603 0.494 0.917 0.583 CB 1.195 25 residues pruned to eliminate duplicates Z: 12 13.856 2.106 0.606 0.502 0.909 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 42 17.729 2.010 0.289 0.434 0.902 0.512 CB 1.267 42 residues pruned to eliminate duplicates Z: 24 15.915 1.985 0.515 0.490 0.913 0.478 CA 1.221 24 residues pruned to eliminate duplicates Z: 25 17.515 2.001 0.445 0.524 1.000 0.625 CB 1.208 25 residues pruned to eliminate duplicates Z: 23 18.406 2.074 0.561 0.480 0.955 0.500 CB 1.295 23 residues pruned to eliminate duplicates Z: 22 18.139 2.073 0.579 0.537 0.952 0.571 CB 1.225 22 residues pruned to eliminate duplicates Z: 11 7.327 1.980 0.386 0.344 1.000 0.500 CB 1.000 11 residues pruned to eliminate duplicates Z: 28 18.145 1.960 0.642 0.502 1.000 0.630 CB 1.083 28 residues pruned to eliminate duplicates Z: 14 15.973 2.187 0.462 0.894 0.923 0.692 CB 1.077 14 residues pruned to eliminate duplicates Z: 24 23.327 2.113 0.497 0.614 0.913 0.696 CB 1.511 24 residues pruned to eliminate duplicates Z: 28 23.370 2.031 0.501 0.714 0.889 0.778 CB 1.368 28 residues pruned to eliminate duplicates Z: 44 31.510 2.188 0.672 0.490 0.884 0.581 CA 1.501 44 residues pruned to eliminate duplicates Z: 27 24.459 2.049 0.589 0.650 0.923 0.769 CB 1.388 27 residues pruned to eliminate duplicates Z: 25 27.287 2.111 0.473 0.703 1.000 0.750 CB 1.488 40 residues pruned to eliminate duplicates Z: 14 21.449 2.284 0.482 0.870 0.923 0.692 CB 1.390 14 residues pruned to eliminate duplicates Z: 56 31.543 2.117 0.584 0.515 0.855 0.564 CA 1.463 56 residues pruned to eliminate duplicates 7 1.898 1.377 0.458 0.185 0.667 0.167 N 0.844 ? Z: 11 7.416 1.623 0.721 0.558 0.700 0.400 CA 1.133 8 residues pruned to eliminate duplicates Z: 37 24.507 2.135 0.523 0.481 0.889 0.556 CB 1.441 37 residues pruned to eliminate duplicates Z: 55 30.858 2.164 0.526 0.478 0.870 0.630 CB 1.495 55 residues pruned to eliminate duplicates Z: 26 16.472 2.208 0.638 0.344 0.800 0.520 CB 1.349 26 residues pruned to eliminate duplicates Z: 34 17.636 2.070 0.566 0.365 0.788 0.576 CB 1.390 34 residues pruned to eliminate duplicates Z: 28 21.315 2.224 0.621 0.415 0.889 0.593 CB 1.399 28 residues pruned to eliminate duplicates Z: 42 25.799 2.076 0.587 0.437 0.854 0.610 CB 1.530 58 residues pruned to eliminate duplicates Z: 7 3.122 1.616 1.238 0.294 0.667 0.167 CA 0.666 7 residues pruned to eliminate duplicates Z: 63 27.632 2.123 0.488 0.419 0.806 0.581 CA 1.499 63 residues pruned to eliminate duplicates Z: 20 18.018 2.142 0.607 0.439 0.842 0.579 CA 1.518 20 residues pruned to eliminate duplicates Z: 29 19.668 2.197 0.464 0.378 0.929 0.464 CA 1.418 29 residues pruned to eliminate duplicates Z: 29 20.078 2.211 0.659 0.375 0.786 0.464 CB 1.504 29 residues pruned to eliminate duplicates Z: 47 27.321 2.159 0.518 0.393 0.891 0.565 CB 1.544 47 residues pruned to eliminate duplicates Z: 38 30.446 2.211 0.589 0.476 0.919 0.541 CA 1.587 38 residues pruned to eliminate duplicates Z: 37 26.348 2.160 0.492 0.493 0.861 0.583 CA 1.594 37 residues pruned to eliminate duplicates Z: 28 20.481 2.033 0.458 0.558 0.889 0.667 CB 1.415 28 residues pruned to eliminate duplicates Z: 32 20.088 2.154 0.654 0.321 0.871 0.484 CA 1.415 32 residues pruned to eliminate duplicates Z: 51 27.322 2.118 0.526 0.460 0.840 0.640 CA 1.483 34 residues pruned to eliminate duplicates Z: 6 3.069 1.460 0.604 0.231 0.800 0.200 CA 1.003 6 residues pruned to eliminate duplicates Z: 29 21.912 2.009 0.439 0.527 0.929 0.679 CA 1.503 29 residues pruned to eliminate duplicates Z: 15 12.166 2.000 0.560 0.384 0.786 0.643 CA 1.501 15 residues pruned to eliminate duplicates Z: 48 31.389 2.163 0.598 0.478 0.894 0.574 CA 1.516 48 residues pruned to eliminate duplicates Z: 21 22.695 2.109 0.650 0.701 0.900 0.750 CB 1.349 21 residues pruned to eliminate duplicates Z: 51 27.503 2.129 0.471 0.403 0.880 0.520 CA 1.564 50 residues pruned to eliminate duplicates Z: 15 11.875 2.155 0.027 0.894 1.000 0.714 CB 1.028 15 residues pruned to eliminate duplicates Z: 63 28.813 2.080 0.459 0.410 0.887 0.581 CB 1.494 63 residues pruned to eliminate duplicates Z: 28 19.732 2.208 0.709 0.386 0.852 0.444 CB 1.333 28 residues pruned to eliminate duplicates Z: 28 17.268 2.232 0.545 0.345 0.815 0.481 CB 1.400 28 residues pruned to eliminate duplicates Z: 60 29.215 2.121 0.517 0.415 0.881 0.542 CB 1.466 60 residues pruned to eliminate duplicates Z: 28 17.689 2.215 0.474 0.394 0.889 0.519 CB 1.312 28 residues pruned to eliminate duplicates Z: 18 9.810 1.925 0.672 0.196 0.882 0.412 CB 1.204 20 residues pruned to eliminate duplicates Z: 7 8.559 1.817 0.972 0.360 0.833 0.667 CA 1.361 7 residues pruned to eliminate duplicates Z: 9 6.144 1.852 0.994 0.260 0.875 0.500 CB 0.884 9 residues pruned to eliminate duplicates Z: 7 9.206 1.930 1.200 0.202 1.000 0.500 CB 1.261 5 residues pruned to eliminate duplicates Z: 6 5.327 1.761 0.395 0.445 0.800 0.600 CB 1.283 6 residues pruned to eliminate duplicates Z: 31 14.141 1.927 0.748 0.257 0.867 0.400 CB 1.168 32 residues pruned to eliminate duplicates Z: 13 7.626 1.897 0.849 0.260 0.750 0.333 CB 1.101 13 residues pruned to eliminate duplicates Z: 16 10.209 1.892 0.662 0.263 0.933 0.400 CB 1.178 16 residues pruned to eliminate duplicates Z: 25 16.247 1.930 0.678 0.360 0.917 0.458 CB 1.299 22 residues pruned to eliminate duplicates Z: 8 5.018 1.725 0.366 0.499 0.714 0.143 CA 1.127 8 residues pruned to eliminate duplicates Z: 22 13.801 2.001 0.619 0.329 0.857 0.429 CB 1.308 22 residues pruned to eliminate duplicates Z: 20 12.275 2.007 0.645 0.387 0.895 0.579 CB 1.074 20 residues pruned to eliminate duplicates Z: 19 13.096 1.921 0.697 0.402 0.778 0.389 CA 1.350 19 residues pruned to eliminate duplicates Z: 14 10.059 1.929 0.590 0.432 0.846 0.462 CA 1.153 14 residues pruned to eliminate duplicates Z: 24 13.943 2.021 0.586 0.319 0.783 0.435 CB 1.416 24 residues pruned to eliminate duplicates Z: 25 14.632 1.935 0.698 0.388 0.833 0.417 CB 1.229 25 residues pruned to eliminate duplicates Z: 10 9.215 1.948 0.626 0.501 1.000 0.667 CA 0.969 10 residues pruned to eliminate duplicates Z: 26 14.682 1.922 0.583 0.326 0.920 0.520 CB 1.270 26 residues pruned to eliminate duplicates Z: 25 14.593 1.957 0.810 0.337 0.792 0.500 CB 1.268 25 residues pruned to eliminate duplicates Z: 11 10.517 1.907 0.836 0.555 0.900 0.700 CA 1.001 11 residues pruned to eliminate duplicates Z: 13 12.994 1.962 0.810 0.445 0.833 0.500 CA 1.341 13 residues pruned to eliminate duplicates Z: 16 16.295 2.016 0.894 0.405 0.867 0.467 CA 1.405 20 residues pruned to eliminate duplicates Z: 12 15.247 2.008 0.339 0.888 0.909 0.455 CB 1.355 12 residues pruned to eliminate duplicates Z: 24 23.843 2.219 0.516 0.540 0.957 0.435 CB 1.485 33 residues pruned to eliminate duplicates Z: 11 15.532 2.136 0.264 0.863 0.900 0.400 CB 1.482 11 residues pruned to eliminate duplicates Z: 32 30.252 2.224 0.623 0.544 0.968 0.516 CB 1.491 35 residues pruned to eliminate duplicates Z: 40 24.375 2.055 0.672 0.452 0.897 0.564 CB 1.330 40 residues pruned to eliminate duplicates Z: 33 24.013 2.180 0.463 0.506 0.969 0.500 CB 1.365 33 residues pruned to eliminate duplicates Z: 68 37.766 2.110 0.537 0.519 0.940 0.537 CB 1.484 68 residues pruned to eliminate duplicates Z: 59 42.620 2.220 0.591 0.573 0.914 0.517 CB 1.617 59 residues pruned to eliminate duplicates Z: 61 44.407 2.221 0.610 0.569 0.933 0.667 CB 1.607 42 residues pruned to eliminate duplicates Z: 7 5.719 1.965 0.246 0.363 0.833 0.333 CA 1.326 7 residues pruned to eliminate duplicates Z: 57 39.912 2.171 0.579 0.531 0.911 0.625 CB 1.657 57 residues pruned to eliminate duplicates Z: 33 24.826 2.184 0.441 0.512 0.938 0.562 CB 1.470 33 residues pruned to eliminate duplicates Z: 35 22.909 2.162 0.608 0.444 0.824 0.382 CB 1.454 35 residues pruned to eliminate duplicates Z: 37 25.452 2.121 0.570 0.526 0.917 0.556 CB 1.355 37 residues pruned to eliminate duplicates Z: 60 39.458 2.190 0.649 0.556 0.847 0.610 CB 1.590 61 residues pruned to eliminate duplicates Z: 6 3.622 1.696 0.321 0.286 0.800 0.600 CB 1.149 6 residues pruned to eliminate duplicates Z: 31 18.536 2.066 0.792 0.391 0.767 0.467 CB 1.338 31 residues pruned to eliminate duplicates Z: 47 41.980 2.272 0.678 0.539 0.957 0.674 CB 1.633 47 residues pruned to eliminate duplicates Z: 7 3.915 1.712 0.261 0.359 0.833 0.333 CA 1.034 7 residues pruned to eliminate duplicates Z: 15 11.618 2.071 0.617 0.342 0.857 0.357 CB 1.285 15 residues pruned to eliminate duplicates Z: 32 20.278 2.160 0.563 0.400 0.839 0.452 CB 1.429 32 residues pruned to eliminate duplicates Z: 61 32.110 2.102 0.555 0.454 0.900 0.467 CB 1.477 61 residues pruned to eliminate duplicates Z: 24 14.282 2.152 0.569 0.262 0.870 0.435 CB 1.331 24 residues pruned to eliminate duplicates Z: 22 13.044 2.227 0.516 0.306 0.810 0.429 CB 1.291 22 residues pruned to eliminate duplicates Z: 27 32.058 2.225 0.576 0.663 0.962 0.692 CA 1.603 27 residues pruned to eliminate duplicates Z: 27 36.246 2.220 0.569 0.711 1.000 0.692 CA 1.685 27 residues pruned to eliminate duplicates Z: 30 30.844 2.080 0.705 0.612 0.966 0.690 CA 1.504 30 residues pruned to eliminate duplicates Z: 46 37.546 2.101 0.561 0.641 0.956 0.644 CA 1.565 46 residues pruned to eliminate duplicates Z: 59 42.853 2.210 0.632 0.563 0.931 0.552 CB 1.576 59 residues pruned to eliminate duplicates Z: 31 34.457 2.131 0.670 0.650 0.967 0.667 CA 1.590 31 residues pruned to eliminate duplicates Z: 28 34.922 2.239 0.513 0.664 1.000 0.667 CA 1.704 28 residues pruned to eliminate duplicates Z: 34 27.834 2.046 0.571 0.545 0.909 0.545 CA 1.587 34 residues pruned to eliminate duplicates Z: 60 36.523 2.172 0.624 0.508 0.881 0.458 CB 1.517 60 residues pruned to eliminate duplicates Z: 28 33.985 2.220 0.605 0.670 0.963 0.667 CA 1.629 28 residues pruned to eliminate duplicates Z: 33 34.249 2.112 0.643 0.654 0.969 0.656 CA 1.561 33 residues pruned to eliminate duplicates Z: 58 36.788 2.186 0.597 0.512 0.895 0.474 CB 1.541 58 residues pruned to eliminate duplicates Z: 26 35.102 2.212 0.663 0.670 0.960 0.720 CB 1.700 26 residues pruned to eliminate duplicates Z: 23 27.951 2.200 0.605 0.584 0.955 0.636 CA 1.631 23 residues pruned to eliminate duplicates Z: 28 31.675 2.135 0.587 0.668 0.963 0.667 CA 1.599 28 residues pruned to eliminate duplicates Z: 29 38.546 2.217 0.707 0.724 0.964 0.750 CB 1.630 29 residues pruned to eliminate duplicates Z: 25 25.744 2.156 0.530 0.614 0.958 0.667 CA 1.492 25 residues pruned to eliminate duplicates Z: 61 35.682 2.162 0.617 0.509 0.867 0.483 CB 1.506 61 residues pruned to eliminate duplicates Z: 27 27.612 2.115 0.682 0.554 0.885 0.615 CA 1.632 27 residues pruned to eliminate duplicates Z: 28 33.261 2.220 0.577 0.658 0.926 0.593 CA 1.704 28 residues pruned to eliminate duplicates Z: 60 40.559 2.190 0.612 0.542 0.898 0.525 CB 1.597 60 residues pruned to eliminate duplicates Z: 28 38.660 2.209 0.736 0.686 0.963 0.519 CA 1.698 28 residues pruned to eliminate duplicates Z: 68 43.499 2.125 0.692 0.548 0.896 0.478 CB 1.575 39 residues pruned to eliminate duplicates Z: 15 29.629 2.317 0.790 0.851 0.786 0.214 CB 1.799 15 residues pruned to eliminate duplicates Z: 61 37.816 2.168 0.628 0.517 0.917 0.383 CB 1.483 28 residues pruned to eliminate duplicates Z: 13 12.022 1.949 0.216 0.675 0.833 0.750 CB 1.496 13 residues pruned to eliminate duplicates Z: 40 22.965 2.118 0.498 0.430 0.872 0.487 CB 1.429 40 residues pruned to eliminate duplicates Z: 40 44.349 2.168 0.712 0.686 0.949 0.462 CB 1.700 40 residues pruned to eliminate duplicates Z: 14 17.278 1.996 0.418 0.660 1.000 0.538 CA 1.459 Z: 11 15.525 1.988 0.570 0.628 0.900 0.500 CA 1.550 11 residues pruned to eliminate duplicates Z: 7 7.102 2.048 -0.036 0.617 0.833 0.500 CA 1.577 7 residues pruned to eliminate duplicates Z: 10 5.924 1.725 0.051 0.518 0.778 0.556 CB 1.376 10 residues pruned to eliminate duplicates Z: 7 6.945 1.922 0.100 0.578 0.833 0.333 CA 1.493 7 residues pruned to eliminate duplicates Z: 7 8.750 1.918 0.234 0.636 0.833 0.333 CA 1.594 7 residues pruned to eliminate duplicates Z: 63 39.288 2.020 0.609 0.609 0.935 0.613 CB 1.479 67 residues pruned to eliminate duplicates Z: 11 13.866 1.856 0.509 0.828 0.900 0.700 CA 1.309 11 residues pruned to eliminate duplicates Z: 48 35.085 2.059 0.529 0.664 0.957 0.532 CB 1.458 48 residues pruned to eliminate duplicates Z: 50 39.910 2.042 0.674 0.694 0.959 0.714 CB 1.457 54 residues pruned to eliminate duplicates Z: 12 17.842 1.866 0.583 0.887 1.000 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 33 24.320 1.915 0.753 0.668 0.875 0.562 CB 1.253 21 residues pruned to eliminate duplicates Z: 11 12.310 1.774 0.379 0.908 1.000 0.800 CA 1.130 11 residues pruned to eliminate duplicates Z: 16 15.451 1.828 0.532 0.706 1.000 0.467 CB 1.181 16 residues pruned to eliminate duplicates Z: 17 11.453 1.869 0.510 0.594 0.875 0.375 CB 1.059 17 residues pruned to eliminate duplicates Z: 60 25.874 1.956 0.643 0.434 0.898 0.373 CA 1.249 60 residues pruned to eliminate duplicates Z: 47 30.722 2.011 0.532 0.666 0.891 0.522 CB 1.415 47 residues pruned to eliminate duplicates Z: 65 41.074 2.079 0.666 0.594 0.922 0.641 CB 1.470 49 residues pruned to eliminate duplicates Z: 8 2.988 1.758 0.094 0.319 0.714 0.429 CB 1.003 8 residues pruned to eliminate duplicates Z: 66 31.590 2.039 0.478 0.532 0.862 0.615 CA 1.462 40 residues pruned to eliminate duplicates Z: 6 5.841 2.245 0.353 0.199 1.000 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 21 14.200 2.025 0.819 0.294 0.900 0.400 CA 1.206 21 residues pruned to eliminate duplicates Z: 12 6.539 1.825 0.450 0.213 0.909 0.273 CA 1.150 12 residues pruned to eliminate duplicates Z: 62 33.301 2.066 0.421 0.578 0.918 0.672 CA 1.468 62 residues pruned to eliminate duplicates Z: 6 3.724 1.633 1.076 0.458 1.000 0.600 CA 0.513 6 residues pruned to eliminate duplicates Z: 23 13.086 1.977 0.767 0.298 0.773 0.455 CA 1.296 23 residues pruned to eliminate duplicates Z: 20 16.251 2.157 0.821 0.343 0.789 0.526 CA 1.426 20 residues pruned to eliminate duplicates Z: 55 34.565 2.055 0.571 0.582 0.907 0.537 CB 1.484 49 residues pruned to eliminate duplicates Z: 6 3.673 1.608 0.557 0.328 0.800 0.600 CA 0.991 6 residues pruned to eliminate duplicates Z: 39 20.596 2.054 0.542 0.425 0.816 0.605 CA 1.398 39 residues pruned to eliminate duplicates Z: 17 12.427 1.881 0.832 0.402 0.750 0.625 CA 1.334 17 residues pruned to eliminate duplicates Z: 65 31.422 2.038 0.452 0.525 0.922 0.609 CA 1.405 65 residues pruned to eliminate duplicates Z: 6 3.744 1.274 1.272 0.304 0.800 0.800 CA 0.899 Z: 6 4.751 1.662 0.502 0.394 1.000 0.400 CB 0.952 Z: 26 27.944 2.126 0.367 0.748 0.960 0.920 CB 1.604 39 residues pruned to eliminate duplicates Z: 20 21.548 2.133 0.158 0.795 1.000 0.842 CB 1.545 20 residues pruned to eliminate duplicates Z: 16 19.123 2.183 0.617 0.485 0.933 0.800 CA 1.522 16 residues pruned to eliminate duplicates Z: 27 30.613 2.124 0.372 0.721 1.000 0.808 CA 1.688 24 residues pruned to eliminate duplicates Z: 15 16.547 2.159 -0.027 0.869 1.000 0.857 CB 1.538 15 residues pruned to eliminate duplicates Z: 30 23.440 2.035 0.243 0.625 0.966 0.724 CA 1.585 30 residues pruned to eliminate duplicates Z: 34 23.813 2.019 0.426 0.577 0.879 0.636 CB 1.521 34 residues pruned to eliminate duplicates Z: 38 30.179 2.160 0.540 0.606 0.892 0.784 CA 1.512 38 residues pruned to eliminate duplicates Z: 30 25.200 2.138 0.240 0.644 0.897 0.724 CA 1.721 30 residues pruned to eliminate duplicates Z: 64 28.865 1.998 0.494 0.550 0.889 0.619 CA 1.305 64 residues pruned to eliminate duplicates Z: 26 25.782 2.084 0.314 0.705 0.960 0.760 CB 1.629 26 residues pruned to eliminate duplicates Z: 38 21.822 2.001 0.367 0.547 0.811 0.595 CB 1.545 38 residues pruned to eliminate duplicates Z: 55 35.059 2.102 0.559 0.508 0.907 0.556 CB 1.593 55 residues pruned to eliminate duplicates Z: 46 38.640 2.158 0.694 0.543 0.956 0.689 CA 1.581 17 residues pruned to eliminate duplicates Z: 19 28.170 2.148 0.360 0.899 0.944 0.611 CB 1.719 19 residues pruned to eliminate duplicates Z: 16 29.090 2.195 0.621 0.910 1.000 0.533 CB 1.497 16 residues pruned to eliminate duplicates Z: 34 32.614 2.117 0.587 0.666 0.939 0.697 CB 1.543 34 residues pruned to eliminate duplicates Z: 66 33.281 2.021 0.546 0.501 0.892 0.492 CB 1.479 59 residues pruned to eliminate duplicates Z: 21 29.391 2.059 0.597 0.912 1.000 0.650 CB 1.416 21 residues pruned to eliminate duplicates Z: 33 28.644 2.095 0.682 0.662 0.906 0.500 CB 1.365 33 residues pruned to eliminate duplicates Z: 49 33.382 2.022 0.615 0.648 0.917 0.625 CB 1.403 49 residues pruned to eliminate duplicates Z: 26 13.853 1.924 0.503 0.404 0.800 0.480 CB 1.325 26 residues pruned to eliminate duplicates Z: 26 15.305 1.949 0.503 0.394 0.840 0.640 CA 1.392 26 residues pruned to eliminate duplicates Z: 30 12.379 1.913 0.356 0.352 0.828 0.517 CB 1.257 30 residues pruned to eliminate duplicates Z: 22 9.971 1.668 0.284 0.459 0.905 0.524 CB 1.171 22 residues pruned to eliminate duplicates Z: 24 15.801 1.952 0.508 0.419 0.826 0.609 CB 1.474 24 residues pruned to eliminate duplicates Z: 12 10.978 1.906 0.337 0.523 0.818 0.545 N 1.551 12 residues pruned to eliminate duplicates Z: 19 13.498 1.873 0.630 0.389 0.889 0.500 CB 1.319 19 residues pruned to eliminate duplicates Z: 18 12.977 1.931 0.567 0.373 0.824 0.588 CA 1.446 18 residues pruned to eliminate duplicates Z: 27 15.934 1.956 0.486 0.435 0.808 0.577 CB 1.424 27 residues pruned to eliminate duplicates Z: 56 22.716 1.990 0.419 0.390 0.855 0.545 CA 1.426 56 residues pruned to eliminate duplicates Z: 20 11.837 1.920 0.566 0.350 0.789 0.579 CB 1.346 20 residues pruned to eliminate duplicates Z: 8 5.295 1.712 0.844 0.188 0.714 0.286 CA 1.290 8 residues pruned to eliminate duplicates Z: 24 14.903 1.937 0.506 0.399 0.826 0.652 CB 1.434 24 residues pruned to eliminate duplicates Z: 26 15.687 1.935 0.443 0.427 0.840 0.600 CA 1.443 26 residues pruned to eliminate duplicates Z: 34 14.600 1.860 0.256 0.396 0.848 0.424 CB 1.431 34 residues pruned to eliminate duplicates Z: 15 7.486 1.900 0.414 0.350 0.786 0.429 CB 1.115 15 residues pruned to eliminate duplicates Z: 13 9.465 1.992 0.428 0.383 0.750 0.500 CB 1.451 13 residues pruned to eliminate duplicates Z: 7 12.090 2.125 0.204 0.661 1.000 0.833 CA 1.661 7 residues pruned to eliminate duplicates Z: 7 12.962 2.140 0.252 0.710 1.000 0.667 CA 1.632 7 residues pruned to eliminate duplicates Z: 9 8.094 1.935 0.405 0.427 0.875 0.625 CA 1.298 9 residues pruned to eliminate duplicates Z: 30 16.570 2.045 0.371 0.409 0.862 0.586 CB 1.401 30 residues pruned to eliminate duplicates Z: 30 15.907 2.042 0.272 0.384 0.862 0.483 CA 1.492 30 residues pruned to eliminate duplicates Z: 31 16.711 2.004 0.375 0.420 0.833 0.467 CA 1.444 32 residues pruned to eliminate duplicates Z: 31 17.176 1.990 0.391 0.419 0.900 0.600 CB 1.370 31 residues pruned to eliminate duplicates Z: 16 11.882 1.913 0.448 0.452 0.933 0.600 CB 1.247 16 residues pruned to eliminate duplicates Z: 29 15.234 2.009 0.318 0.442 0.821 0.536 CA 1.405 29 residues pruned to eliminate duplicates Z: 45 20.951 2.052 0.373 0.465 0.864 0.568 CA 1.345 46 residues pruned to eliminate duplicates Z: 46 21.590 2.036 0.375 0.445 0.867 0.556 CA 1.404 46 residues pruned to eliminate duplicates Z: 41 21.085 2.040 0.382 0.456 0.875 0.500 CA 1.414 41 residues pruned to eliminate duplicates Z: 44 17.196 1.942 0.340 0.422 0.814 0.558 CA 1.342 44 residues pruned to eliminate duplicates Z: 31 17.071 1.978 0.375 0.430 0.867 0.500 CA 1.421 31 residues pruned to eliminate duplicates Z: 30 18.333 2.054 0.365 0.434 0.897 0.586 CB 1.449 30 residues pruned to eliminate duplicates Z: 31 16.985 2.016 0.291 0.507 0.900 0.567 CA 1.315 30 residues pruned to eliminate duplicates Z: 6 4.951 1.671 0.574 0.360 0.800 0.600 CB 1.223 6 residues pruned to eliminate duplicates Z: 43 19.172 1.952 0.459 0.415 0.857 0.619 CB 1.324 43 residues pruned to eliminate duplicates Z: 48 19.916 1.988 0.268 0.451 0.894 0.596 CA 1.355 48 residues pruned to eliminate duplicates Z: 45 20.274 2.008 0.272 0.468 0.909 0.500 CA 1.359 45 residues pruned to eliminate duplicates Z: 33 15.468 1.970 0.220 0.443 0.875 0.500 CA 1.379 33 residues pruned to eliminate duplicates Z: 46 18.769 1.951 0.526 0.378 0.778 0.556 CB 1.376 46 residues pruned to eliminate duplicates Z: 14 13.706 2.107 0.401 0.466 0.846 0.692 CB 1.575 14 residues pruned to eliminate duplicates Z: 45 20.678 2.040 0.305 0.479 0.886 0.614 CA 1.349 45 residues pruned to eliminate duplicates Z: 17 10.852 2.005 0.408 0.393 0.812 0.625 CB 1.324 17 residues pruned to eliminate duplicates Z: 46 20.362 2.001 0.389 0.455 0.889 0.556 CA 1.287 46 residues pruned to eliminate duplicates Z: 51 19.721 1.933 0.401 0.439 0.860 0.540 CA 1.275 51 residues pruned to eliminate duplicates Z: 45 19.645 1.995 0.312 0.448 0.864 0.523 CA 1.382 45 residues pruned to eliminate duplicates Z: 16 11.812 2.056 0.149 0.608 0.867 0.467 CA 1.344 16 residues pruned to eliminate duplicates Z: 16 10.795 1.999 0.199 0.585 0.867 0.600 CA 1.237 16 residues pruned to eliminate duplicates Z: 12 8.944 1.900 0.164 0.539 0.909 0.545 CA 1.290 12 residues pruned to eliminate duplicates Z: 39 21.833 2.008 0.454 0.477 0.895 0.500 CA 1.388 39 residues pruned to eliminate duplicates Z: 11 13.076 1.993 0.270 0.845 1.000 0.800 CA 1.215 11 residues pruned to eliminate duplicates Z: 15 13.348 1.950 0.353 0.684 0.857 0.714 CA 1.333 15 residues pruned to eliminate duplicates Z: 13 12.227 2.028 0.301 0.755 0.833 0.667 CA 1.280 13 residues pruned to eliminate duplicates Z: 13 13.811 1.880 0.435 0.806 1.000 0.667 CA 1.132 13 residues pruned to eliminate duplicates Z: 17 12.105 1.902 0.341 0.595 0.875 0.562 CA 1.239 17 residues pruned to eliminate duplicates Z: 16 12.361 1.914 0.417 0.610 0.867 0.467 CA 1.223 15 residues pruned to eliminate duplicates Z: 13 17.482 1.940 0.348 0.868 1.000 0.833 CA 1.410 14 residues pruned to eliminate duplicates Z: 13 16.823 1.865 0.724 0.871 0.833 0.583 CA 1.322 13 residues pruned to eliminate duplicates Z: 6 11.498 1.973 0.306 0.855 1.000 0.800 CB 1.472 6 residues pruned to eliminate duplicates Z: 34 28.980 2.081 0.555 0.485 0.939 0.515 CA 1.685 34 residues pruned to eliminate duplicates Z: 31 24.676 2.123 0.461 0.499 0.900 0.567 CA 1.616 31 residues pruned to eliminate duplicates Z: 16 16.216 1.835 0.815 0.567 0.800 0.533 CB 1.472 16 residues pruned to eliminate duplicates Z: 35 25.647 2.082 0.483 0.508 0.853 0.529 CA 1.657 35 residues pruned to eliminate duplicates Z: 13 23.070 2.105 0.925 0.624 0.917 0.583 CB 1.595 13 residues pruned to eliminate duplicates Z: 16 15.471 1.977 0.609 0.599 0.800 0.600 CB 1.428 16 residues pruned to eliminate duplicates Z: 15 17.185 1.964 0.961 0.583 0.857 0.500 CA 1.285 15 residues pruned to eliminate duplicates Z: 38 24.521 2.008 0.496 0.497 0.865 0.486 CA 1.557 38 residues pruned to eliminate duplicates Z: 31 25.733 2.101 0.637 0.436 0.900 0.500 CA 1.622 31 residues pruned to eliminate duplicates Z: 41 23.970 1.951 0.519 0.471 0.850 0.475 CB 1.549 41 residues pruned to eliminate duplicates Z: 36 28.085 2.093 0.573 0.509 0.886 0.600 CA 1.614 36 residues pruned to eliminate duplicates Z: 37 27.870 2.062 0.591 0.486 0.861 0.528 CA 1.668 39 residues pruned to eliminate duplicates Z: 12 8.541 1.733 0.640 0.551 0.909 0.182 CA 0.949 12 residues pruned to eliminate duplicates Z: 39 26.256 2.043 0.619 0.483 0.842 0.500 CA 1.556 37 residues pruned to eliminate duplicates Z: 7 10.928 1.898 0.621 0.867 0.833 0.667 CA 1.273 7 residues pruned to eliminate duplicates Z: 38 21.025 1.959 0.535 0.489 0.811 0.378 CA 1.434 38 residues pruned to eliminate duplicates Z: 23 18.637 1.992 0.569 0.480 0.864 0.455 CA 1.501 23 residues pruned to eliminate duplicates Z: 35 31.131 2.060 0.702 0.590 0.882 0.500 CB 1.583 37 residues pruned to eliminate duplicates Z: 11 9.992 1.767 0.389 0.663 1.000 0.400 CA 1.108 11 residues pruned to eliminate duplicates Z: 23 19.910 1.984 0.702 0.489 0.818 0.591 CA 1.554 23 residues pruned to eliminate duplicates 579 residues left after pruning, divided into chains as follows: A: 7 B: 6 C: 7 D: 7 E: 9 F: 8 G: 10 H: 9 I: 17 J: 62 K: 10 L: 74 M: 46 N: 7 O: 30 P: 59 Q: 62 R: 61 S: 36 T: 17 U: 23 V: 12 CC for partial structure against native data = 21.08 % ------------------------------------------------------------------------------ Global autotracing cycle 24 = 0.300, Contrast = 0.397, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.458, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.558, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.561, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6841 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1227 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 15.733 1.981 0.603 0.831 0.818 0.545 CA 1.372 B: 11 22.459 2.194 0.834 0.839 0.900 0.600 CB 1.464 C: 12 24.635 2.005 0.749 0.894 1.000 0.545 CA 1.520 11 residues pruned to eliminate duplicates D: 16 8.645 2.106 -0.012 0.373 0.800 0.467 CB 1.537 E: 15 9.140 2.125 0.035 0.467 0.786 0.643 CB 1.462 16 residues pruned to eliminate duplicates F: 54 31.779 2.134 0.593 0.485 0.868 0.585 CB 1.502 G: 12 11.257 1.907 0.378 0.538 0.909 0.636 CA 1.368 H: 20 23.502 2.074 0.449 0.843 0.947 0.789 CB 1.410 11 residues pruned to eliminate duplicates I: 30 19.064 2.018 0.378 0.437 0.897 0.483 CB 1.515 5 residues pruned to eliminate duplicates J: 17 35.299 2.303 0.682 0.861 1.000 0.500 CB 1.674 17 residues pruned to eliminate duplicates K: 15 11.102 2.167 0.137 0.414 0.786 0.571 CB 1.677 15 residues pruned to eliminate duplicates L: 7 11.996 2.195 0.277 0.701 1.000 0.833 CA 1.455 M: 17 33.218 2.044 0.737 0.884 1.000 0.812 CA 1.690 16 residues pruned to eliminate duplicates N: 12 17.085 1.980 0.552 0.803 0.909 0.818 CA 1.415 12 residues pruned to eliminate duplicates O: 11 34.078 2.312 0.891 0.917 1.000 1.000 CA 1.740 12 residues pruned to eliminate duplicates P: 16 12.879 2.165 0.189 0.476 0.800 0.600 CA 1.654 15 residues pruned to eliminate duplicates Q: 10 9.533 2.123 -0.023 0.827 0.889 0.444 CB 1.299 R: 28 15.406 2.005 0.488 0.444 0.852 0.556 CB 1.236 S: 15 12.444 2.139 0.281 0.396 0.786 0.500 CB 1.723 15 residues pruned to eliminate duplicates T: 15 12.393 2.171 0.116 0.476 0.857 0.571 CA 1.634 15 residues pruned to eliminate duplicates U: 11 14.512 2.092 0.239 0.895 1.000 0.900 CB 1.269 10 residues pruned to eliminate duplicates V: 15 31.263 2.290 0.729 0.888 0.929 0.500 CB 1.638 15 residues pruned to eliminate duplicates W: 13 18.107 1.919 0.536 0.866 1.000 0.750 CB 1.298 X: 19 18.213 2.014 0.302 0.927 1.000 0.833 CB 1.147 19 residues pruned to eliminate duplicates Y: 26 17.495 1.997 0.280 0.482 1.000 0.640 CB 1.395 Z: 10 11.364 1.705 0.516 0.811 0.889 0.444 CA 1.258 10 residues pruned to eliminate duplicates Z: 16 36.184 2.235 0.744 0.873 1.000 0.667 CB 1.746 16 residues pruned to eliminate duplicates Z: 16 19.059 1.990 0.932 0.671 0.800 0.400 CA 1.366 16 residues pruned to eliminate duplicates Z: 12 25.546 2.152 0.753 0.778 1.000 0.545 CA 1.598 12 residues pruned to eliminate duplicates Z: 12 25.149 2.187 0.632 0.844 0.909 0.818 CB 1.739 12 residues pruned to eliminate duplicates Z: 20 35.140 2.056 0.755 0.912 1.000 0.632 CB 1.583 20 residues pruned to eliminate duplicates Z: 12 16.798 1.887 0.626 0.767 0.909 0.364 CA 1.433 12 residues pruned to eliminate duplicates Z: 10 7.418 1.969 0.192 0.379 0.778 0.556 CA 1.540 Z: 21 29.249 2.021 0.395 0.878 1.000 0.750 CB 1.683 11 residues pruned to eliminate duplicates Z: 17 11.302 2.080 0.319 0.438 0.750 0.438 CA 1.464 17 residues pruned to eliminate duplicates Z: 18 24.963 2.097 0.481 0.874 0.882 0.588 CB 1.608 18 residues pruned to eliminate duplicates Z: 9 14.447 2.085 0.369 0.871 0.875 0.750 CB 1.492 9 residues pruned to eliminate duplicates Z: 24 17.997 2.027 0.836 0.400 0.826 0.565 CB 1.356 Z: 8 12.180 1.772 0.366 0.821 1.000 0.714 CB 1.439 Z: 19 13.169 1.863 0.438 0.460 0.889 0.556 CB 1.357 Z: 35 15.280 1.862 0.453 0.405 0.824 0.559 CB 1.300 26 residues pruned to eliminate duplicates Z: 44 28.129 2.000 0.682 0.530 0.837 0.465 CA 1.478 38 residues pruned to eliminate duplicates Z: 18 12.820 2.001 0.223 0.436 0.882 0.588 CB 1.538 18 residues pruned to eliminate duplicates Z: 19 10.770 1.814 0.418 0.422 0.944 0.556 CA 1.133 Z: 17 18.380 2.085 0.080 0.883 1.000 0.938 CB 1.475 17 residues pruned to eliminate duplicates Z: 20 25.694 2.079 0.414 0.843 0.947 0.684 CB 1.576 20 residues pruned to eliminate duplicates Z: 15 16.178 2.054 0.066 0.789 1.000 0.857 CB 1.532 15 residues pruned to eliminate duplicates Z: 11 6.154 1.981 0.509 0.449 0.700 0.500 CB 0.979 11 residues pruned to eliminate duplicates Z: 19 27.402 2.070 0.528 0.863 0.944 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 25 13.459 1.992 0.463 0.367 0.833 0.417 CA 1.305 10 residues pruned to eliminate duplicates Z: 20 15.238 2.139 0.352 0.530 0.789 0.579 CB 1.486 20 residues pruned to eliminate duplicates Z: 13 7.551 1.870 0.065 0.506 1.000 0.833 CB 1.089 Z: 9 8.548 1.644 0.054 0.804 1.000 0.750 CA 1.338 9 residues pruned to eliminate duplicates Z: 9 17.550 2.173 0.549 0.813 1.000 0.750 CB 1.403 12 residues pruned to eliminate duplicates Z: 13 13.261 1.916 0.472 0.794 0.917 0.667 CA 1.144 Z: 7 4.568 1.762 0.393 0.377 0.667 0.500 O 1.299 Z: 32 17.305 2.124 0.496 0.396 0.806 0.677 CB 1.354 32 residues pruned to eliminate duplicates Z: 12 21.814 2.031 0.465 0.903 1.000 0.636 CA 1.576 13 residues pruned to eliminate duplicates Z: 20 13.364 2.089 0.639 0.376 0.737 0.526 CA 1.387 Z: 8 9.066 1.952 0.494 0.629 0.857 0.714 CA 1.214 8 residues pruned to eliminate duplicates Z: 10 23.678 2.185 0.654 0.872 1.000 0.778 CB 1.591 11 residues pruned to eliminate duplicates Z: 9 4.230 1.858 -0.050 0.238 0.875 0.500 CB 1.314 Z: 48 35.979 2.059 0.630 0.666 0.872 0.574 CB 1.537 21 residues pruned to eliminate duplicates Z: 21 29.983 2.032 0.768 0.915 0.950 0.700 CB 1.389 21 residues pruned to eliminate duplicates Z: 28 13.870 1.927 0.221 0.324 0.963 0.667 CA 1.430 9 residues pruned to eliminate duplicates Z: 41 33.024 2.115 0.631 0.637 0.850 0.675 CA 1.566 41 residues pruned to eliminate duplicates Z: 8 13.215 1.901 0.756 0.743 1.000 0.857 CB 1.204 Z: 6 2.989 1.885 -0.292 0.490 0.800 0.600 CB 1.265 Z: 55 28.021 2.073 0.570 0.497 0.833 0.648 CB 1.410 54 residues pruned to eliminate duplicates Z: 29 29.080 2.063 0.473 0.689 0.964 0.750 CB 1.578 29 residues pruned to eliminate duplicates Z: 12 10.934 1.943 0.330 0.616 0.909 0.636 CB 1.258 Z: 17 19.038 2.071 0.461 0.897 1.000 0.875 CB 1.126 17 residues pruned to eliminate duplicates Z: 10 10.493 1.969 0.244 0.524 1.000 0.667 CB 1.394 Z: 9 9.983 1.795 0.240 0.850 0.875 0.875 CA 1.343 9 residues pruned to eliminate duplicates Z: 17 20.359 2.016 0.092 0.917 1.000 0.938 CB 1.630 17 residues pruned to eliminate duplicates Z: 8 10.253 1.795 0.464 0.803 1.000 0.429 CB 1.132 8 residues pruned to eliminate duplicates Z: 8 6.727 1.929 0.696 0.409 0.857 0.286 CB 0.998 8 residues pruned to eliminate duplicates Z: 11 11.064 1.823 0.541 0.609 1.000 0.600 CB 1.123 8 residues pruned to eliminate duplicates Z: 60 45.006 2.192 0.623 0.605 0.915 0.576 CB 1.629 52 residues pruned to eliminate duplicates Z: 9 12.008 1.917 0.486 0.783 0.875 0.625 CB 1.327 9 residues pruned to eliminate duplicates Z: 33 14.610 1.921 0.742 0.313 0.781 0.438 CB 1.216 Z: 15 12.277 2.080 0.613 0.339 0.857 0.786 CA 1.360 15 residues pruned to eliminate duplicates Z: 11 26.352 2.238 0.846 0.798 0.900 0.700 CB 1.727 11 residues pruned to eliminate duplicates Z: 12 16.218 1.971 0.300 0.867 0.909 0.818 CA 1.536 12 residues pruned to eliminate duplicates Z: 10 10.841 1.991 0.191 0.579 1.000 0.889 CA 1.412 7 residues pruned to eliminate duplicates Z: 6 2.820 1.572 0.786 0.385 0.600 0.400 CB 0.845 Z: 17 23.831 2.076 0.643 0.892 1.000 0.875 CB 1.255 17 residues pruned to eliminate duplicates Z: 52 31.473 2.094 0.605 0.485 0.863 0.588 CA 1.543 52 residues pruned to eliminate duplicates Z: 14 10.364 1.892 0.227 0.356 1.000 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 14 41.527 2.380 0.773 0.926 1.000 0.385 CB 1.914 14 residues pruned to eliminate duplicates Z: 15 7.614 1.879 0.255 0.490 0.929 0.571 CB 0.938 14 residues pruned to eliminate duplicates Z: 8 2.706 1.811 0.245 0.455 0.714 0.429 CB 0.665 Z: 17 15.313 1.998 0.482 0.462 0.938 0.625 CB 1.433 Z: 37 27.079 2.058 0.725 0.456 0.889 0.528 CA 1.496 37 residues pruned to eliminate duplicates Z: 15 9.591 1.899 0.200 0.523 0.929 0.786 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 17.355 2.183 0.223 0.866 1.000 0.750 CB 1.373 13 residues pruned to eliminate duplicates Z: 12 12.823 1.924 0.313 0.602 0.909 0.818 N 1.528 11 residues pruned to eliminate duplicates Z: 10 7.535 1.788 0.279 0.523 0.889 0.667 CB 1.208 10 residues pruned to eliminate duplicates Z: 17 18.189 2.001 0.543 0.479 1.000 0.625 CA 1.505 17 residues pruned to eliminate duplicates Z: 9 7.985 1.766 0.494 0.547 0.875 0.375 CB 1.168 9 residues pruned to eliminate duplicates Z: 16 16.388 2.116 0.334 0.505 0.933 0.800 CB 1.599 16 residues pruned to eliminate duplicates Z: 16 20.278 2.112 0.516 0.883 1.000 0.667 CB 1.183 16 residues pruned to eliminate duplicates Z: 41 29.817 2.049 0.564 0.699 0.900 0.500 CB 1.363 40 residues pruned to eliminate duplicates Z: 12 19.594 2.071 0.661 0.831 0.818 0.273 CB 1.577 12 residues pruned to eliminate duplicates Z: 11 10.920 1.885 0.469 0.564 0.900 0.500 CA 1.302 11 residues pruned to eliminate duplicates Z: 11 21.596 2.032 0.654 0.886 0.900 0.600 CA 1.629 11 residues pruned to eliminate duplicates Z: 12 19.823 2.135 0.325 0.815 1.000 0.545 CB 1.608 12 residues pruned to eliminate duplicates Z: 36 27.018 2.031 0.687 0.477 0.857 0.543 CA 1.592 36 residues pruned to eliminate duplicates Z: 13 21.298 2.018 0.342 0.855 1.000 0.750 CB 1.675 13 residues pruned to eliminate duplicates Z: 20 31.079 2.136 0.650 0.913 0.947 0.526 CB 1.511 20 residues pruned to eliminate duplicates Z: 13 12.147 1.746 0.303 0.765 0.917 0.667 CA 1.329 13 residues pruned to eliminate duplicates Z: 11 13.652 2.028 0.145 0.871 1.000 0.700 CA 1.356 11 residues pruned to eliminate duplicates Z: 8 6.817 1.942 0.196 0.647 0.857 0.571 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 8.264 2.135 0.050 0.639 0.800 0.600 O 1.809 6 residues pruned to eliminate duplicates Z: 47 27.494 1.960 0.567 0.493 0.913 0.457 CA 1.455 45 residues pruned to eliminate duplicates Z: 9 16.099 2.189 0.150 0.895 1.000 0.625 CB 1.620 11 residues pruned to eliminate duplicates Z: 10 12.477 1.719 0.481 0.849 1.000 0.667 CB 1.211 9 residues pruned to eliminate duplicates Z: 16 31.110 2.232 0.720 0.904 0.933 0.600 CB 1.596 16 residues pruned to eliminate duplicates Z: 9 5.900 1.481 0.263 0.609 0.875 0.625 CB 1.149 Z: 20 16.455 1.995 0.516 0.462 0.947 0.579 CB 1.370 20 residues pruned to eliminate duplicates Z: 29 14.119 1.839 0.537 0.426 0.786 0.500 CB 1.297 28 residues pruned to eliminate duplicates Z: 30 17.033 1.916 0.447 0.452 0.897 0.586 CA 1.337 33 residues pruned to eliminate duplicates Z: 7 9.698 1.935 0.246 0.809 0.833 0.500 CB 1.506 7 residues pruned to eliminate duplicates Z: 11 11.190 2.005 0.428 0.608 0.900 0.600 CB 1.240 Z: 10 13.515 2.056 0.433 0.662 0.889 0.667 CA 1.481 10 residues pruned to eliminate duplicates Z: 23 21.438 2.170 0.517 0.526 0.955 0.636 CA 1.417 23 residues pruned to eliminate duplicates Z: 35 31.366 2.098 0.707 0.528 0.882 0.529 CB 1.656 35 residues pruned to eliminate duplicates Z: 12 12.223 1.979 0.455 0.507 0.818 0.636 CA 1.553 13 residues pruned to eliminate duplicates Z: 33 17.707 2.134 0.541 0.357 0.812 0.469 CB 1.367 33 residues pruned to eliminate duplicates Z: 8 8.600 1.642 0.311 0.854 1.000 0.857 CB 1.115 8 residues pruned to eliminate duplicates Z: 17 21.548 1.791 0.625 0.876 1.000 0.812 CA 1.345 13 residues pruned to eliminate duplicates Z: 7 7.901 1.746 0.711 0.356 0.833 0.667 CB 1.513 Z: 18 13.361 2.074 0.700 0.390 0.706 0.588 CB 1.463 18 residues pruned to eliminate duplicates Z: 12 21.020 2.010 0.647 0.875 0.909 0.545 CB 1.531 12 residues pruned to eliminate duplicates Z: 19 14.391 1.877 0.604 0.467 0.833 0.500 CA 1.398 21 residues pruned to eliminate duplicates Z: 12 10.073 1.875 0.532 0.506 1.000 0.545 CB 1.050 12 residues pruned to eliminate duplicates Z: 9 7.325 1.766 0.469 0.578 0.875 0.625 CB 1.058 8 residues pruned to eliminate duplicates Z: 21 27.491 2.013 0.568 0.897 0.950 0.550 CB 1.467 21 residues pruned to eliminate duplicates Z: 29 13.301 1.915 0.247 0.308 0.929 0.643 CA 1.403 28 residues pruned to eliminate duplicates Z: 11 18.256 2.090 0.359 0.818 1.000 0.600 CB 1.543 11 residues pruned to eliminate duplicates Z: 13 5.164 1.791 -0.036 0.364 0.917 0.667 CB 1.090 13 residues pruned to eliminate duplicates Z: 12 17.524 1.817 0.862 0.843 0.818 0.727 N 1.421 12 residues pruned to eliminate duplicates Z: 11 13.706 1.806 0.515 0.792 0.900 0.500 CA 1.362 11 residues pruned to eliminate duplicates Z: 21 18.899 2.097 0.864 0.412 0.850 0.550 CB 1.394 21 residues pruned to eliminate duplicates Z: 19 14.884 1.920 0.570 0.387 0.944 0.444 CB 1.389 19 residues pruned to eliminate duplicates Z: 10 9.405 1.962 -0.071 0.825 1.000 0.889 CA 1.299 10 residues pruned to eliminate duplicates Z: 8 8.104 2.041 0.467 0.598 0.857 0.857 CB 1.087 Z: 11 11.218 1.870 0.511 0.641 0.800 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 6 3.144 1.839 0.592 0.503 0.600 0.600 CB 0.799 Z: 13 23.438 2.012 0.482 0.886 1.000 0.667 CB 1.638 13 residues pruned to eliminate duplicates Z: 23 27.243 1.944 0.783 0.885 0.955 0.727 CB 1.268 21 residues pruned to eliminate duplicates Z: 14 11.509 1.736 0.358 0.744 0.923 0.538 CA 1.178 14 residues pruned to eliminate duplicates Z: 47 27.626 2.075 0.477 0.518 0.870 0.652 CA 1.501 47 residues pruned to eliminate duplicates Z: 15 12.682 2.204 0.046 0.488 0.857 0.643 CA 1.736 15 residues pruned to eliminate duplicates Z: 7 6.343 1.879 0.258 0.693 0.667 0.667 CB 1.378 9 residues pruned to eliminate duplicates Z: 16 19.670 2.109 0.368 0.910 1.000 0.933 CB 1.249 16 residues pruned to eliminate duplicates Z: 10 12.403 2.096 0.448 0.590 0.889 0.556 CB 1.405 10 residues pruned to eliminate duplicates Z: 7 6.814 1.670 0.055 0.845 0.833 0.667 N 1.409 Z: 20 30.255 2.129 0.775 0.913 0.947 0.526 CB 1.372 20 residues pruned to eliminate duplicates Z: 52 25.908 2.114 0.461 0.475 0.843 0.549 CB 1.429 51 residues pruned to eliminate duplicates Z: 9 3.963 1.683 0.332 0.289 0.625 0.500 CB 1.268 9 residues pruned to eliminate duplicates Z: 7 9.262 2.092 0.259 0.699 1.000 1.000 CA 1.198 6 residues pruned to eliminate duplicates Z: 38 22.070 2.002 0.482 0.508 0.865 0.432 CA 1.402 38 residues pruned to eliminate duplicates Z: 37 25.793 2.141 0.463 0.500 0.917 0.667 CA 1.497 21 residues pruned to eliminate duplicates Z: 6 6.071 1.854 -0.067 0.610 1.000 0.600 CB 1.414 Z: 6 3.384 2.027 0.040 0.100 1.000 0.400 CB 1.196 Z: 8 12.784 2.086 0.313 0.765 1.000 1.000 CA 1.394 8 residues pruned to eliminate duplicates Z: 9 14.812 2.040 0.374 0.824 0.875 0.625 CA 1.613 9 residues pruned to eliminate duplicates Z: 29 9.045 1.759 0.374 0.308 0.786 0.500 CA 1.113 29 residues pruned to eliminate duplicates Z: 6 2.379 1.896 0.081 0.100 1.000 0.400 CB 0.865 6 residues pruned to eliminate duplicates Z: 10 9.764 2.008 0.458 0.504 0.889 0.667 CB 1.245 8 residues pruned to eliminate duplicates Z: 15 13.296 2.056 0.149 0.888 1.000 0.857 CB 1.084 15 residues pruned to eliminate duplicates Z: 8 3.344 1.558 -0.011 0.489 0.714 0.571 CB 1.160 Z: 17 22.031 2.056 0.637 0.926 1.000 0.688 CB 1.147 17 residues pruned to eliminate duplicates Z: 6 5.654 1.646 0.118 0.836 0.800 0.800 N 1.286 6 residues pruned to eliminate duplicates Z: 29 25.994 2.094 0.755 0.511 0.821 0.500 CA 1.610 29 residues pruned to eliminate duplicates Z: 10 7.938 2.016 0.492 0.426 0.778 0.444 CB 1.221 10 residues pruned to eliminate duplicates Z: 22 27.589 2.140 0.775 0.587 0.905 0.810 CB 1.612 22 residues pruned to eliminate duplicates Z: 19 10.653 1.853 0.479 0.392 0.778 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 25 13.867 1.859 0.520 0.397 0.833 0.542 CB 1.341 25 residues pruned to eliminate duplicates Z: 13 4.406 1.643 0.463 0.476 0.750 0.500 CB 0.723 Z: 6 5.060 1.782 0.750 0.670 1.000 0.800 CB 0.620 6 residues pruned to eliminate duplicates Z: 14 10.143 1.952 0.303 0.479 0.923 0.615 CB 1.224 14 residues pruned to eliminate duplicates 6 0.640 1.413 0.060 0.293 1.000 0.400 CB 0.241 ? Z: 12 11.442 1.881 0.626 0.470 0.909 0.727 CB 1.279 10 residues pruned to eliminate duplicates Z: 6 5.016 1.486 0.398 0.806 1.000 0.800 CB 0.826 Z: 8 11.526 2.015 0.398 0.813 0.857 0.571 CB 1.373 8 residues pruned to eliminate duplicates Z: 30 13.926 1.937 0.523 0.403 0.793 0.517 CA 1.225 30 residues pruned to eliminate duplicates Z: 35 11.751 1.855 0.205 0.353 0.853 0.618 CB 1.239 35 residues pruned to eliminate duplicates Z: 12 11.955 1.892 0.424 0.505 0.909 0.727 CA 1.464 12 residues pruned to eliminate duplicates Z: 8 5.478 1.527 0.619 0.451 0.714 0.429 CB 1.233 Z: 8 19.246 2.200 0.534 0.878 1.000 0.714 CB 1.565 8 residues pruned to eliminate duplicates Z: 13 10.649 2.001 0.665 0.408 0.750 0.417 CB 1.355 13 residues pruned to eliminate duplicates Z: 8 12.285 1.919 0.348 0.710 1.000 0.571 CA 1.482 8 residues pruned to eliminate duplicates Z: 8 6.446 1.923 -0.165 0.563 1.000 0.714 CB 1.427 Z: 11 8.505 1.783 0.456 0.503 0.900 0.600 CB 1.148 11 residues pruned to eliminate duplicates Z: 9 13.257 1.878 0.526 0.868 0.875 0.500 CA 1.366 9 residues pruned to eliminate duplicates Z: 7 13.353 2.247 0.355 0.837 1.000 1.000 CA 1.340 7 residues pruned to eliminate duplicates Z: 24 19.270 1.973 0.372 0.595 0.913 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 11 15.594 2.274 0.168 0.865 1.000 0.700 CB 1.360 11 residues pruned to eliminate duplicates Z: 43 19.575 1.999 0.398 0.473 0.833 0.595 CA 1.333 45 residues pruned to eliminate duplicates Z: 20 29.352 2.102 0.727 0.902 0.895 0.526 CB 1.479 20 residues pruned to eliminate duplicates Z: 26 17.571 1.951 0.590 0.446 0.840 0.520 CA 1.425 26 residues pruned to eliminate duplicates Z: 17 12.709 1.849 0.553 0.516 0.938 0.625 CA 1.161 16 residues pruned to eliminate duplicates Z: 10 11.153 1.950 0.587 0.579 0.889 0.556 CB 1.252 10 residues pruned to eliminate duplicates Z: 23 15.730 1.886 0.584 0.417 0.864 0.500 CA 1.416 23 residues pruned to eliminate duplicates Z: 17 37.427 2.265 0.829 0.897 1.000 0.688 CB 1.617 17 residues pruned to eliminate duplicates Z: 8 2.906 1.435 0.205 0.273 0.857 0.714 CB 0.958 Z: 12 20.745 1.950 0.782 0.858 1.000 0.727 CA 1.326 21 residues pruned to eliminate duplicates Z: 21 24.633 2.054 0.658 0.842 0.850 0.450 CB 1.418 21 residues pruned to eliminate duplicates Z: 23 23.202 2.056 0.735 0.526 0.864 0.682 CA 1.566 23 residues pruned to eliminate duplicates Z: 36 26.766 2.051 0.750 0.477 0.857 0.486 CA 1.505 36 residues pruned to eliminate duplicates Z: 6 9.069 1.838 0.115 0.778 1.000 0.800 CA 1.549 Z: 24 13.772 1.953 0.344 0.392 0.913 0.696 CA 1.343 24 residues pruned to eliminate duplicates Z: 9 12.598 1.948 0.387 0.724 1.000 0.750 CB 1.347 10 residues pruned to eliminate duplicates Z: 7 5.290 1.643 0.319 0.468 0.833 0.500 CB 1.235 Z: 59 41.837 2.183 0.588 0.531 0.931 0.534 CB 1.650 59 residues pruned to eliminate duplicates Z: 9 9.021 2.004 0.218 0.607 0.875 0.750 CA 1.349 9 residues pruned to eliminate duplicates Z: 13 11.690 1.879 0.400 0.508 1.000 0.500 CA 1.273 13 residues pruned to eliminate duplicates Z: 21 13.498 2.010 0.310 0.486 0.900 0.600 CB 1.292 21 residues pruned to eliminate duplicates Z: 24 17.116 1.921 0.553 0.572 0.913 0.478 CB 1.222 24 residues pruned to eliminate duplicates Z: 6 3.890 1.626 0.010 0.627 0.800 0.800 CA 1.175 Z: 20 22.836 1.987 0.857 0.542 0.842 0.632 CB 1.619 20 residues pruned to eliminate duplicates Z: 8 10.102 1.772 0.066 0.845 1.000 0.714 CA 1.502 8 residues pruned to eliminate duplicates Z: 8 5.231 2.087 0.539 0.329 0.714 0.571 CA 1.040 10 residues pruned to eliminate duplicates Z: 7 6.961 1.701 0.533 0.539 0.833 0.667 CA 1.258 Z: 12 9.945 2.052 0.269 0.515 0.909 0.455 CB 1.248 12 residues pruned to eliminate duplicates Z: 19 25.572 2.070 0.795 0.917 0.778 0.444 CB 1.472 19 residues pruned to eliminate duplicates Z: 6 8.157 1.698 0.541 0.842 0.800 0.800 CA 1.298 6 residues pruned to eliminate duplicates Z: 36 18.926 1.961 0.494 0.421 0.829 0.571 CA 1.432 35 residues pruned to eliminate duplicates Z: 14 10.262 1.920 0.467 0.429 0.923 0.538 CB 1.179 11 residues pruned to eliminate duplicates Z: 9 13.975 2.073 0.864 0.605 0.875 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 9 8.660 2.066 0.058 0.518 0.875 0.625 CB 1.573 9 residues pruned to eliminate duplicates Z: 9 9.902 1.886 0.201 0.869 0.875 0.875 CB 1.291 Z: 7 5.271 1.684 -0.073 0.725 0.833 0.667 N 1.351 7 residues pruned to eliminate duplicates Z: 22 13.444 1.854 0.330 0.533 0.905 0.524 CB 1.274 22 residues pruned to eliminate duplicates Z: 8 5.298 1.813 0.029 0.553 0.857 0.857 CB 1.189 8 residues pruned to eliminate duplicates Z: 6 2.471 1.689 0.229 0.277 0.600 0.600 CB 1.142 Z: 11 5.411 1.522 0.097 0.476 0.900 0.500 CB 1.166 8 residues pruned to eliminate duplicates Z: 18 15.389 1.909 0.502 0.385 1.000 0.588 CB 1.470 18 residues pruned to eliminate duplicates Z: 8 17.260 2.142 0.723 0.603 1.000 0.857 N 1.602 8 residues pruned to eliminate duplicates Z: 7 5.181 1.527 0.618 0.614 0.833 0.500 CA 0.922 7 residues pruned to eliminate duplicates Z: 15 6.592 1.947 0.321 0.226 0.786 0.429 CB 1.200 15 residues pruned to eliminate duplicates Z: 10 8.437 2.153 0.220 0.812 0.667 0.333 CB 1.224 10 residues pruned to eliminate duplicates Z: 6 3.174 1.688 0.365 0.452 0.800 0.600 CB 0.809 Z: 18 12.082 1.888 0.300 0.489 0.882 0.529 CB 1.368 19 residues pruned to eliminate duplicates Z: 23 19.630 2.044 0.228 0.642 0.909 0.818 CB 1.606 23 residues pruned to eliminate duplicates Z: 9 7.379 2.027 0.267 0.334 0.750 0.625 CA 1.624 9 residues pruned to eliminate duplicates Z: 9 4.881 1.743 -0.163 0.567 0.875 0.375 CB 1.267 9 residues pruned to eliminate duplicates Z: 20 12.715 2.068 0.564 0.397 0.737 0.579 CA 1.364 20 residues pruned to eliminate duplicates Z: 17 9.262 1.825 0.487 0.387 0.812 0.500 CA 1.184 17 residues pruned to eliminate duplicates Z: 19 20.267 2.066 0.290 0.822 0.889 0.778 CB 1.525 19 residues pruned to eliminate duplicates Z: 11 13.491 1.780 0.368 0.884 1.000 0.900 CA 1.266 11 residues pruned to eliminate duplicates Z: 6 8.001 1.767 0.689 0.451 1.000 0.400 CB 1.261 Z: 6 4.738 1.488 0.525 0.474 0.800 0.600 N 1.199 Z: 22 16.317 2.037 0.457 0.499 0.905 0.571 CB 1.327 22 residues pruned to eliminate duplicates Z: 10 11.369 1.943 0.391 0.722 1.000 0.889 CB 1.148 11 residues pruned to eliminate duplicates Z: 24 29.118 2.057 0.543 0.687 1.000 0.826 CA 1.611 36 residues pruned to eliminate duplicates Z: 46 33.603 2.037 0.424 0.697 0.933 0.711 CB 1.546 46 residues pruned to eliminate duplicates Z: 20 30.179 2.110 0.792 0.932 0.895 0.526 CB 1.429 20 residues pruned to eliminate duplicates Z: 13 12.387 1.827 0.756 0.915 0.750 0.417 CB 1.050 13 residues pruned to eliminate duplicates Z: 9 2.398 1.603 -0.094 0.288 0.875 0.375 CB 0.847 Z: 11 3.407 1.750 0.441 0.274 0.700 0.600 CA 0.789 Z: 37 24.340 1.942 0.796 0.482 0.806 0.528 CB 1.470 37 residues pruned to eliminate duplicates Z: 7 2.623 1.249 0.578 0.346 0.833 0.500 CA 0.770 7 residues pruned to eliminate duplicates Z: 8 6.118 1.652 0.036 0.647 1.000 0.714 CB 1.178 8 residues pruned to eliminate duplicates Z: 15 14.950 2.059 0.649 0.370 0.929 0.571 CB 1.457 15 residues pruned to eliminate duplicates Z: 12 5.659 1.712 0.498 0.324 0.636 0.455 CB 1.269 Z: 13 6.083 1.746 0.392 0.282 0.667 0.167 CA 1.386 13 residues pruned to eliminate duplicates 6 1.927 1.274 0.318 0.328 0.800 0.400 N 0.775 ? Z: 15 14.741 2.216 0.222 0.509 0.857 0.571 CA 1.682 15 residues pruned to eliminate duplicates Z: 14 11.285 1.877 0.151 0.614 0.923 0.692 N 1.409 14 residues pruned to eliminate duplicates Z: 11 10.585 1.998 0.251 0.876 0.700 0.700 CB 1.390 11 residues pruned to eliminate duplicates Z: 6 3.825 1.458 0.591 0.479 0.800 0.600 C 0.942 Z: 10 16.989 1.940 0.794 0.888 0.889 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 20 12.240 1.951 0.468 0.388 0.789 0.579 CA 1.399 20 residues pruned to eliminate duplicates Z: 11 5.890 1.640 0.105 0.568 1.000 0.500 CB 0.962 9 residues pruned to eliminate duplicates 8 1.724 1.476 -0.030 0.193 0.714 0.000 CB 0.918 ? Z: 11 4.738 1.546 0.117 0.418 0.800 0.400 O 1.181 11 residues pruned to eliminate duplicates Z: 7 2.933 1.363 0.245 0.492 0.833 0.500 C 0.854 Z: 20 21.544 2.049 0.407 0.688 1.000 0.632 CB 1.443 17 residues pruned to eliminate duplicates Z: 10 21.049 2.074 0.563 0.896 0.889 0.444 CA 1.745 10 residues pruned to eliminate duplicates Z: 10 16.342 1.975 0.794 0.805 0.778 0.556 CA 1.514 10 residues pruned to eliminate duplicates Z: 16 12.209 1.834 0.450 0.398 0.933 0.600 CA 1.413 16 residues pruned to eliminate duplicates Z: 6 5.412 1.541 0.309 0.524 1.000 0.800 CA 1.171 6 residues pruned to eliminate duplicates 6 1.004 1.449 0.094 0.385 1.000 0.600 CB 0.320 ? Z: 6 3.661 1.481 0.367 0.486 0.800 0.400 CB 1.025 Z: 20 13.521 1.794 0.533 0.457 0.895 0.421 CB 1.317 16 residues pruned to eliminate duplicates Z: 21 16.305 1.949 0.577 0.548 0.850 0.350 CB 1.332 21 residues pruned to eliminate duplicates Z: 9 6.054 1.860 0.681 0.442 0.875 0.500 CA 0.831 9 residues pruned to eliminate duplicates Z: 44 20.127 1.956 0.424 0.411 0.837 0.488 CA 1.446 44 residues pruned to eliminate duplicates Z: 9 7.876 1.833 0.795 0.422 0.750 0.500 CB 1.223 9 residues pruned to eliminate duplicates Z: 30 11.602 1.783 0.384 0.365 0.862 0.448 CB 1.171 30 residues pruned to eliminate duplicates Z: 22 15.935 1.962 0.487 0.476 0.952 0.524 CB 1.283 22 residues pruned to eliminate duplicates Z: 21 13.563 2.033 0.482 0.494 0.850 0.600 CB 1.191 21 residues pruned to eliminate duplicates Z: 31 26.132 2.034 0.753 0.584 0.933 0.533 CA 1.322 20 residues pruned to eliminate duplicates Z: 23 12.191 2.038 0.231 0.375 0.864 0.545 CA 1.372 23 residues pruned to eliminate duplicates Z: 11 9.987 2.226 0.283 0.384 0.800 0.600 CB 1.563 11 residues pruned to eliminate duplicates Z: 23 11.630 1.983 0.341 0.354 0.818 0.364 CA 1.334 23 residues pruned to eliminate duplicates 7 1.918 1.296 0.149 0.498 0.833 0.667 N 0.633 ? Z: 13 5.557 1.651 0.025 0.551 0.833 0.500 CB 1.082 11 residues pruned to eliminate duplicates Z: 26 12.849 1.986 0.309 0.400 0.760 0.400 CA 1.445 26 residues pruned to eliminate duplicates 6 1.741 1.292 -0.122 0.540 1.000 0.600 N 0.660 ? Z: 6 5.766 1.455 0.209 0.855 1.000 1.000 CA 1.082 6 residues pruned to eliminate duplicates Z: 6 3.937 1.757 0.207 0.443 0.800 0.400 C 1.101 Z: 13 11.440 1.840 0.688 0.502 0.750 0.500 CB 1.414 13 residues pruned to eliminate duplicates Z: 8 5.229 1.729 0.453 0.576 0.857 0.857 CB 0.853 7 residues pruned to eliminate duplicates Z: 14 11.364 1.877 0.288 0.534 0.846 0.462 CB 1.490 14 residues pruned to eliminate duplicates Z: 11 15.835 1.775 0.738 0.881 0.900 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 45 12.313 1.863 0.256 0.323 0.795 0.523 CA 1.211 37 residues pruned to eliminate duplicates Z: 31 16.710 1.889 0.336 0.435 0.933 0.467 CB 1.386 31 residues pruned to eliminate duplicates Z: 9 13.023 1.913 0.205 0.896 1.000 0.750 CA 1.430 9 residues pruned to eliminate duplicates Z: 8 6.248 1.672 0.789 0.353 0.857 0.571 CB 1.080 6 residues pruned to eliminate duplicates Z: 8 12.984 2.037 0.397 0.772 1.000 0.857 CA 1.356 8 residues pruned to eliminate duplicates Z: 38 17.867 1.871 0.444 0.384 0.919 0.541 CB 1.339 34 residues pruned to eliminate duplicates Z: 30 17.560 2.054 0.703 0.379 0.862 0.517 CB 1.230 30 residues pruned to eliminate duplicates Z: 7 5.865 1.477 0.194 0.728 1.000 0.667 CB 1.106 Z: 6 10.364 1.881 0.163 0.836 1.000 0.800 CA 1.587 6 residues pruned to eliminate duplicates Z: 8 4.052 1.425 0.674 0.356 0.714 0.571 CB 1.049 Z: 6 2.073 1.383 0.066 0.614 0.600 0.600 O 0.941 6 residues pruned to eliminate duplicates Z: 7 2.254 1.632 -0.146 0.291 0.833 0.667 CB 1.002 7 residues pruned to eliminate duplicates Z: 22 24.516 2.091 0.650 0.600 0.905 0.190 CA 1.558 21 residues pruned to eliminate duplicates Z: 12 12.382 1.654 0.602 0.781 1.000 0.455 CB 1.100 12 residues pruned to eliminate duplicates Z: 8 2.348 1.394 0.060 0.414 0.714 0.429 C 0.920 Z: 6 2.965 1.619 -0.036 0.407 0.800 0.600 CA 1.171 Z: 7 4.518 1.656 0.192 0.273 1.000 0.667 CB 1.209 Z: 7 7.452 1.599 0.318 0.794 0.833 0.500 O 1.338 7 residues pruned to eliminate duplicates Z: 14 12.163 1.910 0.510 0.474 1.000 0.846 CB 1.201 14 residues pruned to eliminate duplicates Z: 8 3.299 1.565 0.329 0.408 0.571 0.429 CB 1.155 Z: 14 4.899 1.810 0.478 0.249 0.538 0.231 CB 1.259 14 residues pruned to eliminate duplicates Z: 6 4.327 1.832 0.008 0.675 1.000 0.800 N 0.892 Z: 20 17.633 2.114 0.487 0.568 0.842 0.526 CB 1.431 20 residues pruned to eliminate duplicates Z: 19 9.784 1.975 0.206 0.444 0.778 0.500 CA 1.319 19 residues pruned to eliminate duplicates Z: 22 17.173 1.799 0.212 0.851 0.952 0.762 CA 1.336 22 residues pruned to eliminate duplicates Z: 7 4.810 1.654 0.612 0.247 0.833 0.500 CA 1.184 7 residues pruned to eliminate duplicates Z: 16 11.002 1.764 0.517 0.421 0.867 0.467 CB 1.330 16 residues pruned to eliminate duplicates Z: 13 18.945 1.897 0.538 0.898 1.000 0.500 CA 1.341 13 residues pruned to eliminate duplicates Z: 14 20.368 2.071 0.782 0.598 0.923 0.692 CB 1.510 14 residues pruned to eliminate duplicates Z: 22 17.878 2.053 0.404 0.565 0.857 0.524 CA 1.483 22 residues pruned to eliminate duplicates Z: 7 5.531 1.826 0.516 0.332 0.833 0.167 CA 1.177 7 residues pruned to eliminate duplicates Z: 10 3.334 1.809 0.211 0.278 0.778 0.778 CB 0.838 10 residues pruned to eliminate duplicates Z: 11 16.140 2.048 0.386 0.755 0.900 0.700 CA 1.591 11 residues pruned to eliminate duplicates Z: 7 9.427 1.835 0.448 0.808 1.000 0.833 CA 1.107 7 residues pruned to eliminate duplicates Z: 8 2.884 1.422 0.249 0.267 0.857 0.571 CA 0.934 7 1.853 1.639 -0.151 0.345 0.667 0.667 CA 0.965 ? Z: 6 4.952 1.625 1.040 0.345 0.600 0.600 C 1.316 8 residues pruned to eliminate duplicates Z: 6 7.532 1.735 0.543 0.734 0.800 0.400 CB 1.274 Z: 8 2.503 1.499 0.130 0.352 0.714 0.429 CB 0.917 Z: 9 3.888 1.363 0.161 0.518 0.875 0.625 CA 0.976 Z: 6 5.052 1.548 0.191 0.663 1.000 0.600 CB 1.054 6 residues pruned to eliminate duplicates Z: 6 2.164 1.597 -0.183 0.410 0.800 0.600 CA 1.018 Z: 8 5.285 1.460 0.576 0.329 1.000 0.714 CB 1.047 Z: 23 10.773 1.859 0.432 0.351 0.818 0.545 CA 1.239 23 residues pruned to eliminate duplicates Z: 15 11.818 2.150 0.160 0.478 0.857 0.571 CB 1.511 15 residues pruned to eliminate duplicates Z: 25 12.818 1.874 0.497 0.412 0.833 0.417 CB 1.228 25 residues pruned to eliminate duplicates Z: 19 12.953 1.874 0.384 0.593 0.889 0.667 CB 1.212 19 residues pruned to eliminate duplicates Z: 29 12.552 1.839 0.252 0.446 0.821 0.536 CB 1.326 28 residues pruned to eliminate duplicates Z: 15 12.391 1.841 0.373 0.466 0.929 0.643 N 1.460 15 residues pruned to eliminate duplicates 7 1.637 1.491 0.461 0.083 0.833 0.167 CB 0.631 ? 7 1.832 1.522 0.293 0.191 0.500 0.333 CB 1.101 ? Z: 9 4.108 1.409 0.787 0.334 0.625 0.375 CB 1.107 Z: 13 12.667 1.823 0.588 0.812 0.833 0.333 CB 1.156 13 residues pruned to eliminate duplicates Z: 9 2.877 1.586 0.038 0.390 0.625 0.500 CB 1.110 Z: 9 3.134 1.424 -0.057 0.380 1.000 0.625 C 0.937 Z: 28 19.648 2.173 0.477 0.492 0.889 0.519 CB 1.335 28 residues pruned to eliminate duplicates Z: 19 16.556 1.862 0.432 0.578 0.944 0.611 CB 1.438 17 residues pruned to eliminate duplicates Z: 7 12.365 2.255 0.182 0.780 1.000 1.000 CA 1.479 7 residues pruned to eliminate duplicates Z: 11 10.271 1.705 0.396 0.647 1.000 0.700 CA 1.190 11 residues pruned to eliminate duplicates Z: 8 2.776 1.637 0.183 0.332 0.714 0.429 CB 0.912 Z: 26 22.543 2.053 0.421 0.662 0.960 0.640 CB 1.385 26 residues pruned to eliminate duplicates Z: 35 25.320 1.989 0.743 0.435 0.853 0.529 CA 1.571 35 residues pruned to eliminate duplicates Z: 9 7.579 1.962 0.471 0.336 0.875 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 6 5.459 1.442 0.469 0.851 0.800 0.400 CA 1.067 Z: 26 14.329 1.965 0.334 0.394 0.840 0.480 CB 1.456 17 residues pruned to eliminate duplicates Z: 21 16.179 1.890 0.581 0.477 0.850 0.500 CB 1.458 21 residues pruned to eliminate duplicates Z: 6 3.854 1.311 0.458 0.732 0.800 0.600 CB 0.915 6 residues pruned to eliminate duplicates Z: 17 18.262 1.933 0.572 0.492 1.000 0.750 CA 1.514 17 residues pruned to eliminate duplicates Z: 8 8.937 1.653 0.762 0.769 1.000 0.571 CA 0.914 8 residues pruned to eliminate duplicates 6 1.146 1.646 -0.145 0.174 0.400 0.200 CA 1.351 ? Z: 6 4.781 1.435 0.472 0.538 1.000 0.800 CB 0.975 Z: 10 14.123 1.935 0.261 0.924 1.000 1.000 CB 1.355 10 residues pruned to eliminate duplicates Z: 17 6.378 1.758 0.333 0.305 0.750 0.500 CA 1.127 17 residues pruned to eliminate duplicates Z: 7 5.342 1.677 -0.038 0.685 0.833 0.833 C 1.369 Z: 19 26.389 2.014 0.664 0.868 0.944 0.389 CB 1.436 19 residues pruned to eliminate duplicates Z: 7 3.841 1.432 0.585 0.273 0.833 0.333 N 1.073 Z: 8 8.381 1.657 0.275 0.828 1.000 0.429 CB 1.129 8 residues pruned to eliminate duplicates Z: 27 17.025 2.105 0.536 0.382 0.885 0.500 CB 1.324 27 residues pruned to eliminate duplicates Z: 7 3.343 1.553 0.590 0.469 1.000 1.000 CB 0.571 7 residues pruned to eliminate duplicates Z: 7 3.586 1.325 0.701 0.402 0.833 0.500 CA 0.863 7 residues pruned to eliminate duplicates Z: 23 18.114 2.015 0.585 0.521 0.955 0.636 CB 1.241 29 residues pruned to eliminate duplicates 6 1.880 1.526 0.487 0.218 0.600 0.400 CB 0.861 ? Z: 7 7.793 1.908 0.595 0.451 0.833 0.500 CA 1.319 7 residues pruned to eliminate duplicates Z: 9 4.446 1.717 -0.002 0.391 1.000 0.625 CB 1.030 7 residues pruned to eliminate duplicates Z: 25 10.269 2.011 0.659 0.187 0.792 0.375 CA 1.156 25 residues pruned to eliminate duplicates Z: 9 13.489 2.163 0.287 0.698 0.875 0.625 CB 1.635 10 residues pruned to eliminate duplicates Z: 17 11.062 1.881 0.507 0.539 0.750 0.438 CB 1.252 14 residues pruned to eliminate duplicates Z: 8 5.975 1.570 0.670 0.449 0.857 0.571 N 1.059 Z: 19 7.335 1.932 0.506 0.297 0.778 0.278 CB 0.959 19 residues pruned to eliminate duplicates Z: 16 14.777 1.967 0.458 0.473 0.933 0.533 CB 1.466 16 residues pruned to eliminate duplicates Z: 16 14.548 1.941 0.486 0.424 0.933 0.533 CB 1.510 16 residues pruned to eliminate duplicates Z: 24 18.963 2.026 0.507 0.562 0.957 0.609 CB 1.274 25 residues pruned to eliminate duplicates 8 1.435 1.210 0.129 0.327 1.000 0.286 N 0.480 ? Z: 25 17.204 2.029 0.591 0.464 0.792 0.542 CA 1.426 24 residues pruned to eliminate duplicates Z: 7 6.663 1.857 0.258 0.595 1.000 0.667 CB 1.063 7 residues pruned to eliminate duplicates Z: 8 5.059 1.759 0.263 0.526 0.857 0.714 CB 0.978 8 residues pruned to eliminate duplicates Z: 10 7.036 1.839 0.106 0.642 1.000 0.778 CB 1.010 10 residues pruned to eliminate duplicates Z: 16 22.141 2.108 0.705 0.780 0.933 0.800 CB 1.331 16 residues pruned to eliminate duplicates Z: 28 15.014 1.868 0.421 0.444 0.963 0.519 CB 1.198 28 residues pruned to eliminate duplicates Z: 15 11.151 1.936 0.306 0.440 0.929 0.714 CA 1.350 15 residues pruned to eliminate duplicates Z: 16 21.656 1.949 0.749 0.751 0.867 0.467 CB 1.512 15 residues pruned to eliminate duplicates Z: 8 3.369 1.501 0.159 0.341 0.857 0.429 CA 1.015 8 residues pruned to eliminate duplicates Z: 7 5.835 1.622 -0.113 0.819 1.000 1.000 CB 1.256 7 residues pruned to eliminate duplicates Z: 16 24.446 2.086 0.600 0.880 1.000 0.733 CB 1.370 16 residues pruned to eliminate duplicates Z: 12 9.081 1.848 0.318 0.557 0.909 0.636 CB 1.170 12 residues pruned to eliminate duplicates Z: 14 8.942 1.646 0.639 0.402 0.923 0.615 CA 1.104 14 residues pruned to eliminate duplicates Z: 17 9.194 1.805 0.321 0.466 0.875 0.688 CA 1.140 17 residues pruned to eliminate duplicates Z: 34 25.747 2.184 0.561 0.503 0.909 0.515 CB 1.441 39 residues pruned to eliminate duplicates Z: 12 8.294 1.622 0.329 0.580 0.909 0.636 CB 1.182 Z: 10 10.235 1.769 0.508 0.674 1.000 0.556 CB 1.090 10 residues pruned to eliminate duplicates Z: 29 11.792 1.747 0.175 0.450 0.929 0.500 CB 1.230 29 residues pruned to eliminate duplicates Z: 8 3.103 1.306 0.472 0.259 0.714 0.571 O 1.125 Z: 7 7.809 2.009 0.562 0.278 1.000 0.333 CA 1.305 7 residues pruned to eliminate duplicates Z: 14 7.705 1.815 0.459 0.379 0.846 0.538 CA 1.085 14 residues pruned to eliminate duplicates Z: 9 3.915 1.967 0.077 0.299 0.750 0.375 CA 1.090 9 residues pruned to eliminate duplicates Z: 7 5.462 1.663 0.875 0.383 0.667 0.667 CA 1.215 Z: 11 11.117 2.131 -0.219 0.887 1.000 0.900 CB 1.522 11 residues pruned to eliminate duplicates Z: 10 5.124 1.550 0.122 0.609 0.778 0.444 CA 1.138 Z: 19 8.548 1.809 0.418 0.286 0.833 0.500 CB 1.199 19 residues pruned to eliminate duplicates Z: 13 10.544 2.033 0.771 0.453 0.750 0.667 CA 1.183 13 residues pruned to eliminate duplicates Z: 8 3.449 1.461 0.414 0.321 0.857 0.571 N 0.897 Z: 39 32.723 2.028 0.757 0.513 0.868 0.553 CB 1.693 39 residues pruned to eliminate duplicates Z: 13 21.918 1.997 0.692 0.660 1.000 0.750 CA 1.614 13 residues pruned to eliminate duplicates Z: 22 16.894 1.748 0.515 0.831 0.905 0.524 CA 1.156 22 residues pruned to eliminate duplicates Z: 13 3.657 1.572 0.260 0.056 0.833 0.500 CB 1.151 13 residues pruned to eliminate duplicates Z: 12 5.425 1.691 0.622 0.428 0.727 0.545 CB 0.884 12 residues pruned to eliminate duplicates Z: 9 10.305 1.859 0.218 0.826 1.000 0.625 CB 1.213 9 residues pruned to eliminate duplicates Z: 9 11.226 2.001 0.282 0.867 1.000 0.875 CA 1.131 9 residues pruned to eliminate duplicates Z: 17 12.284 1.957 0.471 0.424 0.812 0.688 CA 1.421 17 residues pruned to eliminate duplicates Z: 9 3.264 1.541 0.372 0.372 0.750 0.375 CB 0.835 Z: 15 7.347 1.936 0.173 0.317 0.786 0.429 CA 1.347 15 residues pruned to eliminate duplicates Z: 10 4.578 1.662 0.665 0.314 0.778 0.444 CB 0.871 10 residues pruned to eliminate duplicates Z: 8 6.346 1.831 0.077 0.593 0.857 0.714 CA 1.298 8 residues pruned to eliminate duplicates Z: 9 6.828 1.553 0.192 0.840 0.875 0.625 CA 1.113 9 residues pruned to eliminate duplicates 8 1.816 1.296 0.155 0.170 0.857 0.286 C 0.798 ? Z: 9 3.706 1.643 0.586 0.186 0.750 0.500 CB 0.977 9 residues pruned to eliminate duplicates Z: 7 2.960 1.738 -0.311 0.799 1.000 0.833 CB 0.776 7 residues pruned to eliminate duplicates Z: 30 10.289 1.788 0.217 0.346 0.862 0.517 CA 1.205 30 residues pruned to eliminate duplicates Z: 8 4.427 1.420 0.732 0.463 0.714 0.429 N 0.989 Z: 25 14.382 1.945 0.215 0.412 1.000 0.792 CA 1.362 25 residues pruned to eliminate duplicates Z: 7 3.864 1.469 0.619 0.357 0.833 0.500 CB 0.929 Z: 13 4.715 1.647 0.098 0.422 0.833 0.667 CB 0.979 13 residues pruned to eliminate duplicates Z: 13 15.141 1.973 0.264 0.885 1.000 0.917 CB 1.266 19 residues pruned to eliminate duplicates Z: 6 3.557 1.470 0.702 0.377 0.800 0.600 CA 0.906 Z: 8 6.953 1.784 0.555 0.510 0.857 0.571 CB 1.094 8 residues pruned to eliminate duplicates Z: 8 5.162 1.409 0.373 0.438 1.000 0.429 N 1.075 Z: 23 18.139 2.079 0.501 0.563 0.818 0.364 CB 1.425 23 residues pruned to eliminate duplicates Z: 20 25.025 2.109 0.745 0.570 0.947 0.421 CB 1.539 20 residues pruned to eliminate duplicates Z: 7 4.034 1.850 0.213 0.370 0.833 0.667 CA 1.012 7 residues pruned to eliminate duplicates Z: 7 2.665 1.335 0.396 0.247 0.833 0.500 CB 0.938 7 1.240 1.122 0.023 0.393 0.667 0.500 N 0.740 ? Z: 8 2.177 1.363 0.288 0.260 0.714 0.429 CB 0.864 Z: 12 6.207 1.764 0.517 0.463 0.818 0.545 CB 0.888 11 residues pruned to eliminate duplicates Z: 6 4.346 1.452 0.602 0.591 0.800 0.600 N 0.957 Z: 18 14.105 2.028 0.498 0.509 0.941 0.647 CB 1.185 13 residues pruned to eliminate duplicates Z: 6 2.667 1.547 0.166 0.352 0.800 0.600 C 0.970 Z: 6 4.095 2.074 -0.166 0.722 1.000 1.000 CB 0.866 6 residues pruned to eliminate duplicates Z: 25 20.904 2.120 0.397 0.566 0.833 0.708 CB 1.621 25 residues pruned to eliminate duplicates Z: 7 3.423 1.340 0.280 0.592 0.833 0.500 C 0.896 Z: 6 2.685 1.356 0.672 0.482 0.600 0.600 CB 0.899 6 1.747 1.696 -0.056 0.751 0.600 0.600 CB 0.650 ? Z: 23 14.582 2.177 0.241 0.377 0.909 0.500 CA 1.443 23 residues pruned to eliminate duplicates 6 1.804 1.508 0.379 0.232 0.800 0.400 CB 0.662 ? Z: 14 11.655 1.995 0.153 0.639 0.923 0.615 CA 1.336 14 residues pruned to eliminate duplicates 6 1.251 1.114 0.603 0.298 0.600 0.400 CB 0.655 ? Z: 16 18.861 1.683 0.526 0.847 1.000 0.533 CB 1.408 16 residues pruned to eliminate duplicates Z: 12 8.226 1.807 0.464 0.482 0.909 0.545 CB 1.050 12 residues pruned to eliminate duplicates 6 1.610 1.266 0.744 0.130 0.600 0.200 C 0.862 ? Z: 14 4.105 1.462 0.504 0.266 0.615 0.231 CA 1.099 6 1.056 1.398 0.963 0.100 0.600 0.200 N 0.478 ? Z: 11 7.104 1.875 0.259 0.617 1.000 0.900 CB 0.852 11 residues pruned to eliminate duplicates Z: 14 21.833 2.116 0.876 0.742 0.846 0.538 CA 1.451 14 residues pruned to eliminate duplicates Z: 8 4.761 1.578 0.809 0.496 0.857 0.714 CB 0.738 Z: 11 8.931 1.861 0.301 0.418 0.900 0.600 CB 1.411 11 residues pruned to eliminate duplicates 6 1.868 1.404 -0.180 0.299 1.000 0.400 CB 0.908 ? Z: 29 17.815 2.008 0.433 0.523 0.929 0.607 CB 1.232 29 residues pruned to eliminate duplicates Z: 8 3.538 1.562 0.545 0.356 0.714 0.429 CB 0.906 Z: 6 4.668 1.359 0.160 0.677 1.000 0.600 CA 1.125 Z: 6 3.990 1.435 0.519 0.426 1.000 0.800 CB 0.884 6 residues pruned to eliminate duplicates Z: 7 3.355 1.637 0.164 0.560 0.833 0.333 CB 0.815 7 residues pruned to eliminate duplicates Z: 13 9.018 1.558 0.435 0.549 1.000 0.667 CA 1.110 13 residues pruned to eliminate duplicates Z: 13 13.243 1.895 0.383 0.579 0.917 0.667 CB 1.475 16 residues pruned to eliminate duplicates Z: 13 4.431 1.839 0.296 0.255 0.667 0.417 CA 1.066 13 residues pruned to eliminate duplicates Z: 11 9.713 1.831 0.380 0.510 0.900 0.800 N 1.337 11 residues pruned to eliminate duplicates 7 1.379 1.352 0.237 0.201 0.500 0.333 CB 0.959 ? Z: 13 10.819 1.861 0.794 0.500 0.833 0.667 CA 1.123 13 residues pruned to eliminate duplicates Z: 7 2.680 1.441 0.814 0.295 0.500 0.333 CB 1.054 Z: 12 15.151 1.817 0.413 0.667 1.000 0.818 CA 1.525 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 8.285 1.981 0.250 0.776 0.667 0.333 CB 1.606 7 residues pruned to eliminate duplicates Z: 8 8.777 1.920 0.346 0.534 0.857 0.571 CA 1.448 8 residues pruned to eliminate duplicates Z: 10 7.352 1.835 0.248 0.438 0.778 0.556 CB 1.465 10 residues pruned to eliminate duplicates Z: 8 3.439 1.548 0.561 0.208 0.571 0.286 C 1.330 8 residues pruned to eliminate duplicates Z: 8 11.554 1.889 0.326 0.819 1.000 0.286 CB 1.322 15 residues pruned to eliminate duplicates Z: 6 3.238 1.386 1.001 0.393 0.800 0.800 N 0.731 5 residues pruned to eliminate duplicates Z: 6 7.183 1.737 0.381 0.413 1.000 0.800 N 1.466 6 residues pruned to eliminate duplicates Z: 9 16.795 2.128 0.515 0.656 1.000 0.625 CB 1.593 9 residues pruned to eliminate duplicates Z: 7 5.489 1.729 0.179 0.365 1.000 0.833 C 1.272 7 residues pruned to eliminate duplicates Z: 9 23.306 2.180 0.740 0.794 1.000 0.500 CB 1.678 9 residues pruned to eliminate duplicates Z: 8 5.628 1.708 0.008 0.650 0.857 0.143 CA 1.254 14 residues pruned to eliminate duplicates Z: 6 4.023 1.571 0.103 0.582 0.800 0.600 CA 1.200 5 residues pruned to eliminate duplicates Z: 7 4.811 1.774 0.238 0.608 0.667 0.000 CB 1.210 7 residues pruned to eliminate duplicates Z: 9 4.657 1.643 0.425 0.566 0.625 0.125 CB 1.055 11 residues pruned to eliminate duplicates Z: 6 4.988 1.859 0.205 0.562 0.800 0.400 CB 1.172 6 residues pruned to eliminate duplicates Z: 13 6.987 1.542 0.431 0.587 0.667 0.250 CB 1.262 8 residues pruned to eliminate duplicates Z: 7 4.469 1.270 0.732 0.563 0.833 0.167 O 0.936 7 residues pruned to eliminate duplicates Z: 7 3.975 1.246 0.756 0.578 0.833 0.167 O 0.825 7 residues pruned to eliminate duplicates Z: 6 5.777 1.949 0.450 0.368 1.000 0.400 CA 1.053 7 residues pruned to eliminate duplicates Z: 6 5.564 1.923 0.319 0.413 1.000 0.600 CA 1.074 10 residues pruned to eliminate duplicates Z: 6 4.067 1.614 0.388 0.163 1.000 0.200 CB 1.224 3 residues pruned to eliminate duplicates Z: 8 4.089 1.542 0.404 0.316 1.000 0.571 CB 0.875 7 residues pruned to eliminate duplicates Z: 6 6.106 1.564 0.794 0.486 1.000 0.800 CA 0.987 6 residues pruned to eliminate duplicates Z: 17 17.842 1.957 0.528 0.480 0.938 0.500 CA 1.625 18 residues pruned to eliminate duplicates Z: 6 4.839 1.767 1.017 0.350 0.800 0.400 CA 0.893 6 residues pruned to eliminate duplicates Z: 17 18.895 2.039 0.486 0.476 1.000 0.625 CA 1.597 17 residues pruned to eliminate duplicates Z: 8 5.004 1.632 0.476 0.453 0.714 0.286 CB 1.154 8 residues pruned to eliminate duplicates Z: 19 18.586 1.951 0.558 0.466 0.944 0.556 CB 1.579 18 residues pruned to eliminate duplicates Z: 7 3.176 1.456 0.220 0.319 1.000 0.333 CA 0.891 7 residues pruned to eliminate duplicates Z: 26 16.392 1.894 0.330 0.414 0.960 0.560 CB 1.484 25 residues pruned to eliminate duplicates Z: 18 14.495 1.951 0.518 0.432 0.824 0.412 N 1.546 18 residues pruned to eliminate duplicates Z: 18 15.953 1.928 0.509 0.469 0.882 0.529 CB 1.555 18 residues pruned to eliminate duplicates Z: 8 8.616 1.967 0.248 0.467 1.000 0.286 CA 1.372 11 residues pruned to eliminate duplicates Z: 8 6.213 1.658 0.226 0.583 1.000 0.429 CB 1.066 8 residues pruned to eliminate duplicates Z: 9 8.024 1.972 0.431 0.469 0.875 0.375 CA 1.186 9 residues pruned to eliminate duplicates Z: 8 7.103 2.007 0.165 0.452 0.857 0.429 CA 1.407 8 residues pruned to eliminate duplicates Z: 7 5.734 2.010 0.115 0.542 0.833 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 10 7.082 1.970 0.282 0.476 0.667 0.444 CA 1.437 10 residues pruned to eliminate duplicates Z: 18 9.822 1.929 0.274 0.394 0.882 0.294 CA 1.228 18 residues pruned to eliminate duplicates Z: 16 10.363 1.844 0.362 0.358 0.933 0.333 CA 1.331 12 residues pruned to eliminate duplicates Z: 8 4.655 1.473 0.355 0.574 0.714 0.714 CA 1.149 8 residues pruned to eliminate duplicates Z: 27 12.521 1.838 0.290 0.346 0.885 0.654 CB 1.383 27 residues pruned to eliminate duplicates Z: 33 14.656 1.937 0.222 0.354 0.938 0.562 CA 1.366 33 residues pruned to eliminate duplicates Z: 35 12.310 1.901 0.313 0.316 0.824 0.412 CA 1.259 35 residues pruned to eliminate duplicates Z: 21 15.265 1.935 0.368 0.468 1.000 0.700 CB 1.333 21 residues pruned to eliminate duplicates Z: 21 13.866 1.953 0.253 0.452 0.950 0.750 CB 1.402 21 residues pruned to eliminate duplicates Z: 33 14.938 1.917 0.383 0.327 0.906 0.562 CA 1.329 33 residues pruned to eliminate duplicates Z: 28 12.881 1.932 0.308 0.381 0.889 0.556 CB 1.253 28 residues pruned to eliminate duplicates Z: 16 11.284 1.898 0.463 0.328 0.933 0.733 CA 1.357 16 residues pruned to eliminate duplicates Z: 20 12.234 1.891 0.322 0.388 0.947 0.737 CB 1.335 20 residues pruned to eliminate duplicates Z: 25 12.811 1.946 0.311 0.355 0.917 0.625 CA 1.308 25 residues pruned to eliminate duplicates Z: 26 12.232 1.935 0.214 0.419 0.960 0.600 CB 1.180 26 residues pruned to eliminate duplicates Z: 23 11.123 1.938 0.260 0.287 0.909 0.682 CB 1.358 23 residues pruned to eliminate duplicates Z: 31 12.012 1.903 0.259 0.315 0.867 0.567 CA 1.297 31 residues pruned to eliminate duplicates Z: 42 14.707 1.887 0.167 0.336 0.854 0.439 CA 1.462 42 residues pruned to eliminate duplicates Z: 32 11.699 1.897 0.225 0.309 0.839 0.581 CA 1.332 32 residues pruned to eliminate duplicates Z: 34 15.434 1.908 0.265 0.358 0.909 0.697 CB 1.426 34 residues pruned to eliminate duplicates Z: 9 5.671 1.796 0.337 0.366 0.875 0.500 CB 1.102 9 residues pruned to eliminate duplicates Z: 17 8.128 1.793 0.412 0.385 0.750 0.375 CB 1.209 17 residues pruned to eliminate duplicates Z: 9 3.924 1.724 0.241 0.331 0.750 0.500 CB 1.041 9 residues pruned to eliminate duplicates Z: 7 4.698 1.852 0.355 0.344 0.833 0.500 CB 1.087 7 residues pruned to eliminate duplicates Z: 14 4.189 1.712 0.583 0.207 0.615 0.154 CB 0.986 14 residues pruned to eliminate duplicates Z: 13 6.863 1.818 0.329 0.260 0.750 0.333 N 1.437 13 residues pruned to eliminate duplicates Z: 12 7.283 1.782 0.508 0.280 0.818 0.364 N 1.281 12 residues pruned to eliminate duplicates Z: 38 15.150 1.843 0.401 0.329 0.892 0.514 CA 1.305 38 residues pruned to eliminate duplicates Z: 27 12.054 1.887 0.311 0.399 0.846 0.423 CB 1.256 27 residues pruned to eliminate duplicates Z: 9 9.806 1.820 0.824 0.506 0.750 0.500 CB 1.384 9 residues pruned to eliminate duplicates Z: 11 10.569 1.627 0.624 0.503 1.000 0.400 N 1.261 11 residues pruned to eliminate duplicates Z: 10 5.470 1.635 0.664 0.349 0.667 0.333 CB 1.184 10 residues pruned to eliminate duplicates Z: 28 11.507 1.829 0.333 0.446 0.778 0.519 CB 1.234 28 residues pruned to eliminate duplicates Z: 17 12.886 1.958 0.296 0.555 0.938 0.625 CB 1.283 17 residues pruned to eliminate duplicates Z: 26 14.594 1.897 0.395 0.468 0.840 0.440 CB 1.356 26 residues pruned to eliminate duplicates Z: 20 14.735 1.935 0.334 0.488 0.895 0.474 CB 1.481 20 residues pruned to eliminate duplicates Z: 12 10.122 2.036 0.219 0.513 0.909 0.545 CB 1.336 12 residues pruned to eliminate duplicates Z: 14 8.442 1.927 0.127 0.457 0.923 0.538 CB 1.221 14 residues pruned to eliminate duplicates Z: 11 8.449 1.975 0.214 0.497 0.900 0.700 CB 1.243 11 residues pruned to eliminate duplicates Z: 11 11.932 2.036 0.317 0.572 1.000 0.700 CB 1.313 12 residues pruned to eliminate duplicates Z: 6 3.007 1.381 0.174 0.428 0.800 0.800 C 1.118 6 residues pruned to eliminate duplicates Z: 10 9.415 2.102 0.279 0.564 0.889 0.667 CB 1.233 10 residues pruned to eliminate duplicates Z: 28 11.769 1.900 0.228 0.383 0.852 0.370 CB 1.291 28 residues pruned to eliminate duplicates Z: 10 8.655 2.047 0.139 0.513 1.000 0.333 CB 1.222 10 residues pruned to eliminate duplicates Z: 11 12.624 1.961 0.488 0.547 1.000 0.500 CB 1.307 12 residues pruned to eliminate duplicates Z: 6 9.025 1.833 0.905 0.447 1.000 0.600 CB 1.221 6 residues pruned to eliminate duplicates Z: 10 11.329 2.040 0.466 0.552 0.889 0.333 CB 1.351 11 residues pruned to eliminate duplicates Z: 7 2.807 1.445 0.491 0.467 0.833 0.333 CA 0.660 7 residues pruned to eliminate duplicates Z: 11 11.781 1.986 0.569 0.557 0.900 0.600 CB 1.257 10 residues pruned to eliminate duplicates Z: 6 4.539 1.726 0.475 0.494 0.800 0.400 CA 1.002 6 residues pruned to eliminate duplicates Z: 19 14.516 2.065 0.430 0.380 0.833 0.444 CA 1.580 17 residues pruned to eliminate duplicates Z: 6 5.897 1.714 0.360 0.355 1.000 1.000 O 1.323 6 residues pruned to eliminate duplicates Z: 15 12.156 2.145 0.235 0.480 0.786 0.643 CA 1.593 15 residues pruned to eliminate duplicates Z: 12 10.573 2.234 -0.003 0.431 0.909 0.545 CB 1.690 12 residues pruned to eliminate duplicates Z: 15 9.866 2.069 0.153 0.385 0.786 0.643 CA 1.588 15 residues pruned to eliminate duplicates Z: 16 11.975 2.135 0.159 0.461 0.800 0.667 CA 1.626 16 residues pruned to eliminate duplicates Z: 19 13.729 2.003 0.278 0.442 0.833 0.500 CA 1.611 18 residues pruned to eliminate duplicates Z: 10 7.161 1.901 0.177 0.459 0.889 0.333 CA 1.252 14 residues pruned to eliminate duplicates Z: 6 8.488 1.963 0.526 0.680 0.800 0.800 CB 1.342 6 residues pruned to eliminate duplicates Z: 28 18.464 2.085 0.490 0.357 0.852 0.481 CB 1.567 28 residues pruned to eliminate duplicates Z: 21 13.048 2.093 0.391 0.295 0.800 0.400 CB 1.576 21 residues pruned to eliminate duplicates Z: 7 3.387 1.523 0.645 0.277 0.833 0.167 C 0.853 7 residues pruned to eliminate duplicates Z: 31 17.807 2.066 0.464 0.334 0.833 0.433 CB 1.547 31 residues pruned to eliminate duplicates Z: 20 14.184 1.995 0.378 0.416 0.842 0.684 CB 1.535 20 residues pruned to eliminate duplicates Z: 21 13.697 2.121 0.420 0.304 0.800 0.400 CB 1.580 21 residues pruned to eliminate duplicates Z: 17 16.735 2.197 0.445 0.341 0.875 0.500 CB 1.789 17 residues pruned to eliminate duplicates Z: 19 18.007 2.038 0.474 0.477 0.889 0.611 CA 1.627 20 residues pruned to eliminate duplicates Z: 22 14.668 2.042 0.511 0.297 0.905 0.429 CB 1.440 22 residues pruned to eliminate duplicates Z: 21 20.981 1.978 0.731 0.436 0.900 0.750 CA 1.627 21 residues pruned to eliminate duplicates Z: 26 17.912 2.082 0.499 0.308 0.880 0.480 CB 1.615 26 residues pruned to eliminate duplicates Z: 28 19.775 2.096 0.552 0.333 0.889 0.519 CB 1.580 28 residues pruned to eliminate duplicates Z: 19 13.213 1.951 0.615 0.411 0.778 0.500 CB 1.395 19 residues pruned to eliminate duplicates Z: 28 17.322 2.075 0.393 0.402 0.852 0.370 CB 1.501 28 residues pruned to eliminate duplicates Z: 18 12.390 1.829 0.573 0.451 0.941 0.647 CB 1.167 18 residues pruned to eliminate duplicates Z: 15 9.411 1.915 0.332 0.398 0.929 0.714 CB 1.183 15 residues pruned to eliminate duplicates Z: 14 9.651 1.776 0.369 0.497 1.000 0.692 CA 1.105 14 residues pruned to eliminate duplicates Z: 18 8.513 1.811 0.244 0.415 1.000 0.588 CB 1.002 18 residues pruned to eliminate duplicates Z: 13 7.344 1.878 0.391 0.440 0.750 0.250 CB 1.151 13 residues pruned to eliminate duplicates Z: 16 9.729 1.823 0.427 0.393 0.933 0.533 CA 1.159 16 residues pruned to eliminate duplicates Z: 34 15.171 1.903 0.443 0.323 0.879 0.545 CB 1.330 35 residues pruned to eliminate duplicates Z: 6 4.123 1.527 1.032 0.269 0.800 0.600 CA 0.965 6 residues pruned to eliminate duplicates Z: 14 12.815 2.031 0.643 0.425 0.846 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 24 20.012 2.006 0.659 0.501 0.957 0.565 CB 1.310 24 residues pruned to eliminate duplicates Z: 31 16.982 1.917 0.583 0.474 0.867 0.567 CB 1.211 31 residues pruned to eliminate duplicates Z: 28 16.184 1.983 0.504 0.465 0.926 0.519 CB 1.169 28 residues pruned to eliminate duplicates Z: 29 18.025 2.019 0.429 0.504 0.929 0.571 CB 1.266 29 residues pruned to eliminate duplicates Z: 6 8.487 1.695 0.834 0.432 1.000 0.200 CA 1.309 6 residues pruned to eliminate duplicates Z: 27 17.360 2.049 0.481 0.477 0.923 0.538 CB 1.244 27 residues pruned to eliminate duplicates Z: 24 18.282 2.089 0.731 0.472 0.826 0.565 CB 1.312 24 residues pruned to eliminate duplicates Z: 24 16.043 2.041 0.703 0.451 0.783 0.652 CB 1.292 24 residues pruned to eliminate duplicates Z: 23 17.866 2.031 0.657 0.485 0.909 0.545 CB 1.264 23 residues pruned to eliminate duplicates Z: 24 17.490 2.039 0.636 0.497 0.913 0.609 CB 1.201 24 residues pruned to eliminate duplicates Z: 32 16.974 1.990 0.595 0.444 0.871 0.516 CB 1.169 32 residues pruned to eliminate duplicates Z: 26 14.797 2.012 0.647 0.419 0.840 0.440 CB 1.157 26 residues pruned to eliminate duplicates Z: 27 15.123 1.960 0.545 0.446 0.923 0.500 CB 1.121 27 residues pruned to eliminate duplicates Z: 12 10.306 2.007 0.533 0.519 0.909 0.727 CB 1.090 12 residues pruned to eliminate duplicates Z: 29 17.613 1.972 0.655 0.476 0.893 0.500 CB 1.170 29 residues pruned to eliminate duplicates Z: 24 16.266 2.038 0.699 0.472 0.870 0.522 CB 1.159 24 residues pruned to eliminate duplicates Z: 23 19.448 2.121 0.718 0.468 0.909 0.545 CB 1.294 23 residues pruned to eliminate duplicates Z: 18 18.996 2.073 0.249 0.889 1.000 0.765 CB 1.281 18 residues pruned to eliminate duplicates Z: 46 27.712 2.160 0.481 0.470 0.889 0.600 CB 1.499 46 residues pruned to eliminate duplicates Z: 25 24.475 2.107 0.488 0.679 0.917 0.750 CB 1.474 25 residues pruned to eliminate duplicates Z: 25 28.559 2.111 0.550 0.688 1.000 0.792 CB 1.500 34 residues pruned to eliminate duplicates Z: 19 19.919 2.009 0.600 0.863 0.944 0.667 CB 1.135 17 residues pruned to eliminate duplicates Z: 18 18.253 2.123 0.465 0.698 0.882 0.706 CB 1.347 18 residues pruned to eliminate duplicates Z: 26 22.289 2.026 0.457 0.582 0.960 0.560 CB 1.454 26 residues pruned to eliminate duplicates Z: 63 28.280 2.044 0.493 0.461 0.871 0.581 CB 1.407 64 residues pruned to eliminate duplicates Z: 6 2.476 1.294 0.558 0.258 0.800 0.400 N 0.906 6 residues pruned to eliminate duplicates Z: 34 16.485 2.052 0.538 0.340 0.818 0.364 CB 1.323 34 residues pruned to eliminate duplicates Z: 14 8.480 2.072 0.547 0.258 0.846 0.462 CB 1.145 14 residues pruned to eliminate duplicates Z: 30 19.542 2.210 0.509 0.396 0.828 0.517 CB 1.467 30 residues pruned to eliminate duplicates Z: 29 21.267 2.223 0.635 0.445 0.857 0.643 CB 1.364 29 residues pruned to eliminate duplicates Z: 56 31.414 2.137 0.557 0.481 0.873 0.600 CB 1.486 56 residues pruned to eliminate duplicates Z: 28 16.828 2.139 0.497 0.410 0.852 0.593 CB 1.305 28 residues pruned to eliminate duplicates Z: 43 27.935 2.189 0.472 0.477 0.881 0.643 CA 1.554 43 residues pruned to eliminate duplicates Z: 30 21.645 2.196 0.680 0.386 0.862 0.517 CB 1.427 30 residues pruned to eliminate duplicates Z: 35 17.302 2.092 0.554 0.376 0.765 0.588 CB 1.362 35 residues pruned to eliminate duplicates Z: 56 31.470 2.143 0.493 0.488 0.891 0.636 CB 1.507 56 residues pruned to eliminate duplicates Z: 50 25.612 2.120 0.562 0.442 0.857 0.592 CB 1.369 50 residues pruned to eliminate duplicates Z: 26 19.970 2.154 0.636 0.439 0.880 0.440 CB 1.372 26 residues pruned to eliminate duplicates Z: 27 19.136 2.223 0.660 0.377 0.808 0.500 CA 1.436 27 residues pruned to eliminate duplicates Z: 54 33.539 2.171 0.600 0.465 0.906 0.547 CB 1.518 54 residues pruned to eliminate duplicates Z: 31 20.223 2.213 0.609 0.380 0.800 0.567 CB 1.473 31 residues pruned to eliminate duplicates Z: 41 33.629 2.233 0.672 0.474 0.925 0.675 CB 1.581 41 residues pruned to eliminate duplicates Z: 22 16.865 2.177 0.497 0.433 0.905 0.429 CB 1.338 22 residues pruned to eliminate duplicates Z: 28 20.312 2.162 0.658 0.370 0.889 0.556 CA 1.410 28 residues pruned to eliminate duplicates Z: 45 28.902 2.183 0.586 0.430 0.841 0.523 CB 1.609 45 residues pruned to eliminate duplicates Z: 44 26.779 2.179 0.530 0.433 0.907 0.558 CA 1.447 44 residues pruned to eliminate duplicates Z: 49 28.275 2.125 0.519 0.463 0.896 0.646 CB 1.465 49 residues pruned to eliminate duplicates Z: 27 18.800 2.014 0.370 0.536 0.885 0.769 CB 1.458 27 residues pruned to eliminate duplicates Z: 44 26.271 2.213 0.461 0.410 0.860 0.605 CA 1.583 44 residues pruned to eliminate duplicates Z: 17 10.893 1.730 0.606 0.290 0.938 0.500 N 1.323 17 residues pruned to eliminate duplicates Z: 15 7.427 1.688 0.352 0.286 0.786 0.571 N 1.409 Z: 7 3.966 1.552 0.660 0.221 0.833 0.500 CA 1.046 7 residues pruned to eliminate duplicates Z: 15 7.396 1.850 0.466 0.123 0.786 0.357 CA 1.489 15 residues pruned to eliminate duplicates Z: 22 22.723 2.136 0.368 0.664 0.905 0.857 CA 1.611 22 residues pruned to eliminate duplicates Z: 17 13.212 1.998 0.371 0.327 0.875 0.688 CB 1.667 32 residues pruned to eliminate duplicates Z: 25 22.323 2.077 0.403 0.560 0.958 0.708 CA 1.540 25 residues pruned to eliminate duplicates Z: 27 21.182 2.032 0.399 0.582 0.923 0.731 CA 1.463 27 residues pruned to eliminate duplicates Z: 25 21.257 2.110 0.370 0.555 0.875 0.625 CA 1.625 25 residues pruned to eliminate duplicates Z: 18 16.291 2.214 0.503 0.503 0.824 0.529 CB 1.438 18 residues pruned to eliminate duplicates Z: 28 19.333 2.167 0.532 0.413 0.889 0.519 CA 1.380 28 residues pruned to eliminate duplicates Z: 31 17.575 2.173 0.438 0.350 0.867 0.533 CB 1.394 31 residues pruned to eliminate duplicates Z: 7 3.074 1.485 0.498 0.386 0.667 0.500 CB 0.955 7 residues pruned to eliminate duplicates Z: 22 17.716 2.086 0.513 0.457 0.905 0.524 CB 1.414 22 residues pruned to eliminate duplicates Z: 30 12.069 1.965 0.550 0.230 0.793 0.414 CB 1.272 29 residues pruned to eliminate duplicates Z: 10 6.527 1.761 0.994 0.290 0.778 0.333 CB 1.009 9 residues pruned to eliminate duplicates Z: 8 11.084 1.954 1.334 0.333 1.000 0.857 CB 1.103 9 residues pruned to eliminate duplicates Z: 9 8.111 2.021 0.756 0.178 0.875 0.250 CB 1.363 9 residues pruned to eliminate duplicates Z: 8 8.718 1.973 1.098 0.317 0.857 0.571 CB 1.137 8 residues pruned to eliminate duplicates Z: 24 14.060 1.797 0.581 0.324 0.913 0.609 CA 1.372 24 residues pruned to eliminate duplicates Z: 35 12.277 1.948 0.555 0.274 0.765 0.471 CB 1.174 35 residues pruned to eliminate duplicates Z: 19 9.215 2.037 0.771 0.158 0.778 0.222 CB 1.177 19 residues pruned to eliminate duplicates Z: 17 9.361 1.952 0.813 0.161 0.812 0.500 CB 1.232 17 residues pruned to eliminate duplicates Z: 32 12.469 1.976 0.583 0.213 0.806 0.387 CB 1.245 32 residues pruned to eliminate duplicates Z: 10 5.638 1.940 0.653 0.188 0.667 0.222 CB 1.277 10 residues pruned to eliminate duplicates Z: 23 9.616 1.976 0.470 0.226 0.727 0.273 CB 1.335 23 residues pruned to eliminate duplicates Z: 11 6.454 1.990 0.565 0.186 0.800 0.200 CB 1.194 11 residues pruned to eliminate duplicates Z: 10 9.657 2.090 0.938 0.259 0.889 0.222 CB 1.178 10 residues pruned to eliminate duplicates Z: 20 9.887 1.907 0.698 0.225 0.789 0.316 CB 1.224 20 residues pruned to eliminate duplicates Z: 25 13.224 1.903 0.530 0.345 0.875 0.417 CB 1.254 25 residues pruned to eliminate duplicates Z: 24 10.864 1.969 0.515 0.312 0.739 0.478 CB 1.266 24 residues pruned to eliminate duplicates Z: 23 13.237 1.988 0.579 0.302 0.818 0.409 CB 1.370 23 residues pruned to eliminate duplicates Z: 20 11.982 1.949 0.448 0.332 0.947 0.579 CA 1.236 20 residues pruned to eliminate duplicates Z: 12 9.923 1.879 0.765 0.422 0.818 0.545 CA 1.196 12 residues pruned to eliminate duplicates Z: 22 13.486 1.961 0.575 0.324 0.905 0.571 CB 1.279 26 residues pruned to eliminate duplicates Z: 7 7.415 1.668 0.793 0.433 0.833 0.333 CB 1.302 7 residues pruned to eliminate duplicates Z: 13 7.995 1.920 0.659 0.440 0.833 0.500 CA 0.925 13 residues pruned to eliminate duplicates Z: 9 10.534 2.083 0.631 0.387 0.875 0.500 CA 1.412 9 residues pruned to eliminate duplicates Z: 20 9.704 1.825 0.663 0.349 0.789 0.368 CA 1.094 17 residues pruned to eliminate duplicates Z: 11 21.651 2.079 0.654 0.891 0.900 0.800 CA 1.591 11 residues pruned to eliminate duplicates Z: 14 14.409 2.050 0.301 0.675 0.846 0.615 CB 1.507 14 residues pruned to eliminate duplicates Z: 58 38.693 2.178 0.584 0.527 0.912 0.561 CB 1.586 58 residues pruned to eliminate duplicates Z: 12 22.697 2.198 0.378 0.803 1.000 0.909 CA 1.733 12 residues pruned to eliminate duplicates Z: 11 27.114 2.139 0.823 0.903 1.000 0.700 CA 1.567 11 residues pruned to eliminate duplicates Z: 25 22.842 2.200 0.441 0.501 0.958 0.333 CB 1.533 25 residues pruned to eliminate duplicates Z: 57 41.209 2.200 0.620 0.537 0.911 0.589 CB 1.636 57 residues pruned to eliminate duplicates Z: 32 21.603 2.209 0.382 0.481 0.871 0.387 CB 1.487 32 residues pruned to eliminate duplicates Z: 32 28.536 2.238 0.538 0.524 0.968 0.452 CB 1.503 32 residues pruned to eliminate duplicates Z: 12 20.460 2.186 0.217 0.863 1.000 0.545 CA 1.702 12 residues pruned to eliminate duplicates Z: 53 42.451 2.214 0.584 0.561 0.981 0.577 CB 1.613 53 residues pruned to eliminate duplicates Z: 55 43.943 2.228 0.588 0.562 0.944 0.574 CA 1.685 55 residues pruned to eliminate duplicates Z: 61 43.633 2.193 0.586 0.577 0.950 0.617 CB 1.583 61 residues pruned to eliminate duplicates Z: 50 28.836 2.030 0.606 0.530 0.837 0.347 CB 1.466 31 residues pruned to eliminate duplicates Z: 6 4.409 1.512 0.435 0.411 1.000 0.800 CA 0.998 6 residues pruned to eliminate duplicates Z: 56 44.755 2.222 0.638 0.538 0.927 0.491 CB 1.723 56 residues pruned to eliminate duplicates Z: 58 41.018 2.200 0.526 0.531 0.930 0.649 CB 1.688 29 residues pruned to eliminate duplicates Z: 6 3.477 1.708 0.857 0.204 0.800 0.400 CB 0.870 6 residues pruned to eliminate duplicates Z: 12 11.055 2.195 0.502 0.417 0.818 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 59 46.454 2.235 0.565 0.576 0.966 0.621 CB 1.678 47 residues pruned to eliminate duplicates Z: 6 2.143 1.424 0.332 0.368 0.600 0.400 N 0.970 6 residues pruned to eliminate duplicates Z: 58 38.290 2.159 0.667 0.471 0.912 0.386 CB 1.591 58 residues pruned to eliminate duplicates Z: 45 39.029 2.256 0.615 0.540 0.932 0.659 CA 1.667 45 residues pruned to eliminate duplicates Z: 39 33.729 2.203 0.561 0.593 0.895 0.632 CA 1.626 39 residues pruned to eliminate duplicates Z: 64 41.177 2.137 0.636 0.528 0.905 0.556 CA 1.595 64 residues pruned to eliminate duplicates Z: 34 29.082 2.072 0.653 0.561 0.879 0.697 CA 1.585 34 residues pruned to eliminate duplicates Z: 27 22.407 2.043 0.559 0.493 0.962 0.654 CA 1.445 27 residues pruned to eliminate duplicates Z: 22 27.342 2.184 0.690 0.659 0.952 0.810 CA 1.464 22 residues pruned to eliminate duplicates Z: 29 23.485 2.058 0.569 0.445 0.929 0.679 CB 1.565 29 residues pruned to eliminate duplicates Z: 26 23.386 2.043 0.680 0.499 0.920 0.520 CA 1.484 26 residues pruned to eliminate duplicates Z: 29 31.002 2.166 0.480 0.641 0.964 0.679 CA 1.662 29 residues pruned to eliminate duplicates Z: 27 31.316 2.175 0.568 0.605 1.000 0.769 CA 1.630 27 residues pruned to eliminate duplicates Z: 27 25.430 2.154 0.688 0.546 0.846 0.692 CA 1.551 27 residues pruned to eliminate duplicates Z: 33 34.548 2.097 0.652 0.633 0.938 0.594 CA 1.660 33 residues pruned to eliminate duplicates Z: 29 27.548 2.106 0.536 0.603 0.929 0.607 CA 1.571 29 residues pruned to eliminate duplicates Z: 32 27.405 2.083 0.523 0.580 0.903 0.581 CA 1.591 32 residues pruned to eliminate duplicates Z: 25 22.070 2.058 0.613 0.524 1.000 0.667 CA 1.326 25 residues pruned to eliminate duplicates Z: 30 34.189 2.127 0.632 0.633 1.000 0.690 CA 1.614 30 residues pruned to eliminate duplicates Z: 29 34.522 2.128 0.645 0.651 0.964 0.786 CB 1.679 29 residues pruned to eliminate duplicates Z: 28 28.517 2.035 0.630 0.567 0.963 0.593 CB 1.611 28 residues pruned to eliminate duplicates Z: 33 30.690 2.124 0.545 0.598 0.875 0.656 CA 1.720 33 residues pruned to eliminate duplicates Z: 30 29.088 2.102 0.536 0.589 0.966 0.621 CA 1.591 30 residues pruned to eliminate duplicates Z: 27 37.322 2.198 0.661 0.697 1.000 0.692 CA 1.675 27 residues pruned to eliminate duplicates Z: 34 29.191 2.119 0.657 0.566 0.848 0.455 CA 1.599 34 residues pruned to eliminate duplicates Z: 62 43.498 2.174 0.573 0.558 0.934 0.590 CB 1.647 62 residues pruned to eliminate duplicates Z: 34 34.730 2.140 0.655 0.646 0.939 0.545 CB 1.585 34 residues pruned to eliminate duplicates Z: 27 40.842 2.189 0.873 0.655 0.962 0.462 CA 1.759 27 residues pruned to eliminate duplicates Z: 61 39.234 2.165 0.550 0.521 0.950 0.533 CB 1.556 61 residues pruned to eliminate duplicates Z: 37 28.813 2.043 0.568 0.733 0.944 0.472 CB 1.287 37 residues pruned to eliminate duplicates Z: 16 11.528 1.792 0.497 0.660 0.867 0.400 CB 1.104 16 residues pruned to eliminate duplicates Z: 63 37.244 2.041 0.619 0.598 0.903 0.484 CA 1.444 63 residues pruned to eliminate duplicates Z: 23 12.786 1.882 0.361 0.535 0.909 0.500 CB 1.131 23 residues pruned to eliminate duplicates Z: 29 20.813 2.056 0.641 0.490 0.893 0.393 CA 1.319 29 residues pruned to eliminate duplicates Z: 36 22.139 2.012 0.672 0.477 0.914 0.571 CA 1.245 36 residues pruned to eliminate duplicates Z: 34 22.684 2.004 0.614 0.512 0.970 0.545 CA 1.244 34 residues pruned to eliminate duplicates Z: 57 38.080 2.112 0.552 0.604 0.964 0.714 CA 1.458 57 residues pruned to eliminate duplicates Z: 55 39.296 2.110 0.581 0.618 0.944 0.704 CA 1.518 55 residues pruned to eliminate duplicates Z: 56 33.178 2.030 0.662 0.587 0.836 0.455 CB 1.459 32 residues pruned to eliminate duplicates Z: 42 31.647 2.052 0.611 0.689 0.902 0.561 CB 1.393 44 residues pruned to eliminate duplicates Z: 59 41.775 2.105 0.637 0.603 0.931 0.655 CA 1.550 59 residues pruned to eliminate duplicates Z: 62 42.961 2.111 0.731 0.614 0.934 0.639 CB 1.446 47 residues pruned to eliminate duplicates Z: 7 4.335 1.641 0.381 0.418 1.000 0.000 CA 0.850 6 0.995 1.627 0.614 0.285 0.800 0.400 N 0.270 ? Z: 6 2.466 1.705 0.664 0.421 0.800 0.600 CA 0.528 6 1.082 1.503 0.302 0.280 1.000 0.400 CA 0.317 ? Z: 6 2.118 1.355 0.814 0.411 0.800 0.600 CA 0.529 Z: 7 15.272 2.280 1.026 0.616 0.833 0.500 CB 1.451 Z: 15 11.501 2.003 0.808 0.313 0.857 0.500 CA 1.219 22 residues pruned to eliminate duplicates Z: 17 11.323 2.006 0.702 0.334 0.875 0.438 CA 1.135 17 residues pruned to eliminate duplicates Z: 23 14.562 2.008 0.856 0.316 0.909 0.500 CA 1.124 23 residues pruned to eliminate duplicates Z: 48 28.967 2.077 0.520 0.549 0.851 0.638 CA 1.499 48 residues pruned to eliminate duplicates Z: 35 24.813 2.049 0.327 0.621 0.882 0.706 CB 1.582 43 residues pruned to eliminate duplicates Z: 6 3.342 1.631 0.203 0.367 1.000 0.600 CA 0.878 Z: 20 20.364 2.126 0.369 0.744 0.842 0.789 CB 1.531 20 residues pruned to eliminate duplicates Z: 27 29.342 2.101 0.426 0.711 0.962 0.769 CA 1.650 34 residues pruned to eliminate duplicates Z: 21 29.502 2.051 0.559 0.907 1.000 0.700 CB 1.466 21 residues pruned to eliminate duplicates Z: 30 27.160 2.073 0.569 0.634 0.897 0.690 CB 1.525 30 residues pruned to eliminate duplicates Z: 35 30.106 2.077 0.582 0.659 0.912 0.588 CB 1.488 35 residues pruned to eliminate duplicates Z: 22 22.945 2.133 0.561 0.570 0.952 0.619 CB 1.475 22 residues pruned to eliminate duplicates Z: 56 33.153 2.069 0.581 0.546 0.836 0.564 CA 1.563 27 residues pruned to eliminate duplicates Z: 19 26.145 2.104 0.519 0.836 0.889 0.500 CB 1.624 19 residues pruned to eliminate duplicates Z: 56 34.581 2.086 0.582 0.541 0.873 0.564 CA 1.556 56 residues pruned to eliminate duplicates Z: 26 22.603 2.108 0.433 0.707 0.840 0.600 CB 1.475 26 residues pruned to eliminate duplicates Z: 30 29.446 2.088 0.605 0.658 0.931 0.655 CB 1.513 30 residues pruned to eliminate duplicates Z: 26 23.012 2.061 0.655 0.700 0.840 0.360 CB 1.339 26 residues pruned to eliminate duplicates Z: 54 35.081 2.060 0.631 0.546 0.868 0.604 CA 1.579 54 residues pruned to eliminate duplicates Z: 32 31.358 1.997 0.764 0.658 0.903 0.516 CB 1.529 32 residues pruned to eliminate duplicates Z: 41 36.400 2.052 0.674 0.748 0.950 0.500 CB 1.413 41 residues pruned to eliminate duplicates Z: 62 39.765 2.041 0.687 0.584 0.918 0.557 CB 1.485 62 residues pruned to eliminate duplicates Z: 20 35.654 2.113 0.948 0.926 1.000 0.474 CB 1.394 20 residues pruned to eliminate duplicates Z: 23 25.711 1.976 0.786 0.652 0.955 0.591 CB 1.413 23 residues pruned to eliminate duplicates Z: 30 24.538 2.044 0.690 0.647 0.897 0.586 CB 1.283 30 residues pruned to eliminate duplicates Z: 28 23.721 1.978 0.652 0.626 0.926 0.481 CB 1.340 28 residues pruned to eliminate duplicates Z: 65 41.318 2.051 0.722 0.563 0.922 0.562 CB 1.492 65 residues pruned to eliminate duplicates Z: 65 41.904 2.037 0.746 0.592 0.938 0.594 CB 1.438 65 residues pruned to eliminate duplicates Z: 50 33.023 1.972 0.650 0.602 0.959 0.592 CB 1.371 50 residues pruned to eliminate duplicates Z: 44 27.871 2.027 0.602 0.537 0.884 0.512 CA 1.428 44 residues pruned to eliminate duplicates Z: 25 12.603 1.904 0.487 0.395 0.750 0.542 CB 1.354 25 residues pruned to eliminate duplicates Z: 24 12.342 1.814 0.559 0.351 0.826 0.478 CB 1.295 24 residues pruned to eliminate duplicates Z: 19 12.298 1.858 0.548 0.410 0.833 0.500 CB 1.329 19 residues pruned to eliminate duplicates Z: 19 14.311 1.896 0.572 0.439 0.889 0.556 CB 1.355 18 residues pruned to eliminate duplicates Z: 8 4.020 1.432 0.211 0.388 1.000 0.286 CA 0.987 8 residues pruned to eliminate duplicates Z: 18 13.546 1.922 0.505 0.416 0.882 0.588 CB 1.406 18 residues pruned to eliminate duplicates Z: 16 8.795 1.756 0.904 0.292 0.733 0.400 CA 1.170 16 residues pruned to eliminate duplicates Z: 13 14.222 1.946 0.441 0.544 0.917 0.500 N 1.530 13 residues pruned to eliminate duplicates Z: 16 16.438 2.003 0.705 0.499 0.867 0.733 CA 1.435 16 residues pruned to eliminate duplicates Z: 19 13.015 1.886 0.609 0.390 0.778 0.500 CB 1.460 19 residues pruned to eliminate duplicates Z: 28 13.942 1.843 0.584 0.393 0.778 0.556 CB 1.323 28 residues pruned to eliminate duplicates Z: 27 14.915 1.906 0.465 0.440 0.808 0.423 CB 1.380 27 residues pruned to eliminate duplicates Z: 10 7.439 1.725 1.272 0.243 0.778 0.333 CB 1.096 10 residues pruned to eliminate duplicates Z: 7 4.428 1.714 0.941 0.236 0.667 0.333 CB 1.108 7 residues pruned to eliminate duplicates Z: 9 5.573 1.646 0.629 0.266 0.750 0.125 CB 1.278 9 residues pruned to eliminate duplicates Z: 11 3.797 1.597 0.560 0.252 0.800 0.200 CB 0.801 11 residues pruned to eliminate duplicates Z: 26 13.290 1.830 0.484 0.403 0.800 0.560 CB 1.355 26 residues pruned to eliminate duplicates Z: 11 4.097 1.502 0.221 0.303 0.800 0.300 CA 1.100 Z: 6 3.157 1.481 0.101 0.308 1.000 0.400 N 1.072 6 residues pruned to eliminate duplicates Z: 6 4.414 1.578 0.585 0.321 1.000 0.600 N 0.960 Z: 11 8.848 1.819 0.260 0.495 1.000 0.700 CA 1.227 11 residues pruned to eliminate duplicates Z: 44 25.333 2.021 0.426 0.487 0.930 0.535 CA 1.459 61 residues pruned to eliminate duplicates Z: 7 2.915 1.379 0.704 0.426 0.833 0.667 CA 0.656 7 residues pruned to eliminate duplicates Z: 24 12.704 1.960 0.479 0.354 0.783 0.478 CA 1.367 24 residues pruned to eliminate duplicates Z: 29 18.517 1.979 0.408 0.440 0.964 0.607 CA 1.385 29 residues pruned to eliminate duplicates Z: 29 16.786 1.958 0.456 0.441 0.893 0.643 CA 1.324 29 residues pruned to eliminate duplicates Z: 25 13.774 1.867 0.429 0.389 0.875 0.583 CA 1.355 25 residues pruned to eliminate duplicates Z: 39 22.384 1.990 0.506 0.453 0.921 0.500 CA 1.380 39 residues pruned to eliminate duplicates Z: 32 14.892 1.967 0.330 0.400 0.839 0.516 CB 1.354 32 residues pruned to eliminate duplicates Z: 15 9.044 1.892 0.372 0.355 0.714 0.643 CB 1.525 15 residues pruned to eliminate duplicates Z: 27 12.659 1.996 0.286 0.404 0.808 0.538 CA 1.325 27 residues pruned to eliminate duplicates Z: 28 11.667 1.888 0.359 0.358 0.852 0.630 CB 1.197 28 residues pruned to eliminate duplicates Z: 26 13.421 1.932 0.247 0.401 0.920 0.560 CA 1.344 26 residues pruned to eliminate duplicates Z: 29 15.737 2.008 0.379 0.435 0.821 0.607 CA 1.398 29 residues pruned to eliminate duplicates Z: 28 11.221 1.869 0.460 0.381 0.815 0.444 CA 1.103 28 residues pruned to eliminate duplicates Z: 17 10.504 1.911 0.447 0.418 0.812 0.562 CA 1.273 17 residues pruned to eliminate duplicates Z: 30 15.426 1.976 0.434 0.401 0.793 0.552 CA 1.415 30 residues pruned to eliminate duplicates Z: 30 16.977 1.980 0.321 0.428 0.931 0.586 CB 1.394 30 residues pruned to eliminate duplicates Z: 33 15.794 1.957 0.388 0.430 0.844 0.594 CB 1.311 33 residues pruned to eliminate duplicates Z: 29 16.138 1.984 0.376 0.426 0.929 0.571 CB 1.299 29 residues pruned to eliminate duplicates Z: 29 16.757 2.020 0.402 0.422 0.857 0.571 CB 1.414 29 residues pruned to eliminate duplicates Z: 24 15.661 2.027 0.450 0.381 0.913 0.478 CA 1.381 24 residues pruned to eliminate duplicates Z: 46 20.178 1.963 0.336 0.469 0.911 0.511 CA 1.299 46 residues pruned to eliminate duplicates Z: 15 13.351 2.050 0.388 0.625 0.857 0.429 CA 1.301 15 residues pruned to eliminate duplicates Z: 16 15.589 1.946 0.578 0.644 0.867 0.600 CA 1.323 16 residues pruned to eliminate duplicates Z: 14 10.805 1.797 0.159 0.810 1.000 0.692 CA 1.099 14 residues pruned to eliminate duplicates Z: 15 13.526 2.026 0.311 0.661 0.929 0.571 CA 1.263 15 residues pruned to eliminate duplicates Z: 12 14.971 1.985 0.442 0.784 1.000 0.727 CA 1.228 12 residues pruned to eliminate duplicates Z: 13 12.631 1.832 0.400 0.785 1.000 0.750 CA 1.107 13 residues pruned to eliminate duplicates Z: 44 21.940 1.965 0.380 0.473 0.930 0.512 CA 1.363 44 residues pruned to eliminate duplicates Z: 16 14.173 1.857 0.366 0.637 0.867 0.667 CB 1.464 16 residues pruned to eliminate duplicates Z: 14 15.869 1.935 0.399 0.813 0.923 0.692 CA 1.341 14 residues pruned to eliminate duplicates Z: 17 14.305 1.908 0.247 0.661 0.938 0.500 CA 1.381 17 residues pruned to eliminate duplicates Z: 12 14.603 2.005 0.348 0.790 1.000 0.727 CA 1.264 12 residues pruned to eliminate duplicates Z: 14 18.003 1.880 0.462 0.787 1.000 0.615 CA 1.412 14 residues pruned to eliminate duplicates Z: 13 19.820 1.973 1.014 0.807 0.833 0.500 CA 1.322 14 residues pruned to eliminate duplicates Z: 10 15.177 1.955 0.825 0.909 0.778 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 18 20.746 1.964 0.800 0.663 0.824 0.529 CA 1.486 17 residues pruned to eliminate duplicates Z: 9 15.447 1.931 0.702 0.880 0.875 0.625 CA 1.376 11 residues pruned to eliminate duplicates Z: 12 19.513 2.002 0.725 0.805 0.909 0.636 CA 1.437 12 residues pruned to eliminate duplicates Z: 11 25.310 2.052 0.960 0.862 0.900 0.300 CA 1.623 11 residues pruned to eliminate duplicates Z: 37 27.498 2.066 0.727 0.488 0.833 0.472 CB 1.559 37 residues pruned to eliminate duplicates Z: 20 16.768 1.945 0.591 0.569 0.895 0.421 CA 1.300 20 residues pruned to eliminate duplicates Z: 44 30.393 2.034 0.655 0.541 0.884 0.465 CA 1.497 37 residues pruned to eliminate duplicates Z: 12 30.863 2.172 0.975 0.812 0.909 0.545 CA 1.819 12 residues pruned to eliminate duplicates Z: 37 26.818 2.061 0.645 0.481 0.889 0.472 CA 1.512 37 residues pruned to eliminate duplicates Z: 37 30.451 2.073 0.674 0.514 0.944 0.500 CA 1.527 37 residues pruned to eliminate duplicates Z: 45 28.028 2.014 0.622 0.504 0.886 0.386 CA 1.454 45 residues pruned to eliminate duplicates Z: 31 20.088 1.908 0.526 0.504 0.867 0.367 CA 1.449 31 residues pruned to eliminate duplicates Z: 36 24.037 2.079 0.674 0.453 0.829 0.429 CA 1.478 36 residues pruned to eliminate duplicates Z: 33 24.294 2.127 0.649 0.490 0.812 0.469 CA 1.523 33 residues pruned to eliminate duplicates Z: 33 27.132 2.109 0.731 0.440 0.906 0.469 CA 1.541 33 residues pruned to eliminate duplicates Z: 21 15.349 2.046 0.370 0.417 0.900 0.500 CA 1.483 21 residues pruned to eliminate duplicates Z: 33 26.242 2.122 0.750 0.438 0.844 0.469 CA 1.578 33 residues pruned to eliminate duplicates Z: 19 16.466 2.109 0.609 0.392 0.833 0.500 CA 1.540 19 residues pruned to eliminate duplicates Z: 38 30.497 2.062 0.589 0.552 0.892 0.432 CA 1.631 38 residues pruned to eliminate duplicates Z: 35 27.347 2.102 0.684 0.512 0.882 0.471 CA 1.484 35 residues pruned to eliminate duplicates Z: 33 27.607 2.095 0.711 0.510 0.875 0.500 CA 1.541 33 residues pruned to eliminate duplicates Z: 41 25.445 2.026 0.578 0.477 0.875 0.425 CA 1.472 41 residues pruned to eliminate duplicates Z: 35 29.044 2.111 0.645 0.526 0.912 0.412 CA 1.534 35 residues pruned to eliminate duplicates Z: 19 17.020 2.047 0.681 0.341 0.833 0.389 CA 1.664 19 residues pruned to eliminate duplicates Z: 34 25.451 2.072 0.602 0.507 0.879 0.485 CA 1.508 34 residues pruned to eliminate duplicates Z: 36 28.165 2.089 0.726 0.549 0.857 0.543 CA 1.468 36 residues pruned to eliminate duplicates Z: 33 30.143 2.121 0.831 0.491 0.906 0.500 CA 1.528 33 residues pruned to eliminate duplicates Z: 36 29.047 2.072 0.707 0.549 0.914 0.571 CA 1.447 36 residues pruned to eliminate duplicates Z: 52 32.759 1.974 0.676 0.593 0.902 0.490 CA 1.406 60 residues pruned to eliminate duplicates Z: 9 9.500 1.795 0.572 0.851 0.875 0.750 CA 1.008 9 residues pruned to eliminate duplicates Z: 30 21.095 2.029 0.601 0.442 0.897 0.586 CA 1.428 30 residues pruned to eliminate duplicates Z: 12 9.359 2.009 0.587 0.449 0.636 0.455 N 1.465 12 residues pruned to eliminate duplicates Z: 10 6.476 1.815 0.029 0.460 1.000 0.444 CB 1.204 10 residues pruned to eliminate duplicates Z: 7 2.667 1.402 0.146 0.283 0.833 0.333 CA 1.038 7 residues pruned to eliminate duplicates Z: 7 2.929 1.726 -0.116 0.516 0.833 0.333 CB 0.925 7 residues pruned to eliminate duplicates Z: 8 7.098 1.815 0.208 0.505 1.000 0.571 CB 1.217 8 residues pruned to eliminate duplicates Z: 15 9.771 1.785 0.484 0.493 0.929 0.571 CB 1.069 11 residues pruned to eliminate duplicates Z: 6 6.957 1.726 0.879 0.466 0.800 0.600 CA 1.241 6 residues pruned to eliminate duplicates Z: 12 10.837 1.937 0.462 0.459 1.000 0.545 CB 1.203 12 residues pruned to eliminate duplicates Z: 12 8.846 1.949 0.486 0.463 0.727 0.545 CB 1.315 12 residues pruned to eliminate duplicates Z: 9 8.474 2.081 0.590 0.552 0.875 0.750 CB 0.984 9 residues pruned to eliminate duplicates Z: 10 9.198 2.009 0.445 0.561 0.889 0.667 CB 1.120 10 residues pruned to eliminate duplicates Z: 11 10.742 1.890 0.539 0.512 1.000 0.600 CB 1.154 11 residues pruned to eliminate duplicates Z: 8 8.916 2.171 0.322 0.428 0.714 0.143 CA 1.771 8 residues pruned to eliminate duplicates Z: 10 4.569 1.938 0.218 0.305 0.556 0.111 CB 1.442 10 residues pruned to eliminate duplicates Z: 25 13.685 1.994 0.496 0.406 0.792 0.625 CA 1.305 25 residues pruned to eliminate duplicates Z: 25 13.001 2.012 0.445 0.376 0.833 0.583 CA 1.251 25 residues pruned to eliminate duplicates Z: 26 14.306 1.995 0.415 0.383 0.800 0.520 CA 1.434 26 residues pruned to eliminate duplicates Z: 24 14.269 2.073 0.545 0.356 0.826 0.652 CA 1.314 24 residues pruned to eliminate duplicates Z: 24 15.287 2.051 0.421 0.439 0.826 0.609 CA 1.411 24 residues pruned to eliminate duplicates Z: 25 12.425 1.915 0.365 0.389 0.875 0.708 CA 1.248 25 residues pruned to eliminate duplicates Z: 19 11.460 2.006 0.451 0.395 0.833 0.500 CA 1.244 19 residues pruned to eliminate duplicates Z: 24 13.113 2.031 0.346 0.375 0.870 0.478 CA 1.315 24 residues pruned to eliminate duplicates Z: 24 15.943 2.066 0.563 0.393 0.826 0.565 CA 1.396 24 residues pruned to eliminate duplicates Z: 24 13.886 2.029 0.411 0.409 0.826 0.652 CA 1.348 24 residues pruned to eliminate duplicates Z: 25 14.641 2.003 0.432 0.378 0.875 0.583 CA 1.356 25 residues pruned to eliminate duplicates Z: 21 17.572 1.968 0.557 0.407 0.950 0.600 CA 1.488 22 residues pruned to eliminate duplicates Z: 7 4.301 1.606 0.630 0.463 1.000 0.667 CB 0.696 7 residues pruned to eliminate duplicates Z: 24 14.140 2.085 0.392 0.367 0.826 0.609 CA 1.418 24 residues pruned to eliminate duplicates Z: 10 5.198 2.006 0.620 0.245 0.667 0.444 CA 1.074 8 residues pruned to eliminate duplicates Z: 6 5.106 2.087 0.545 0.269 0.600 0.400 CA 1.534 6 residues pruned to eliminate duplicates Z: 22 15.365 2.083 0.400 0.454 0.857 0.667 CA 1.405 23 residues pruned to eliminate duplicates 602 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 6 D: 6 E: 7 F: 9 G: 8 H: 7 I: 8 J: 9 K: 10 L: 10 M: 62 N: 10 O: 16 P: 58 Q: 7 R: 46 S: 30 T: 59 U: 62 V: 97 W: 20 X: 14 Y: 23 CC for partial structure against native data = 21.24 % ------------------------------------------------------------------------------ Global autotracing cycle 25 = 0.300, Contrast = 0.394, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.456, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.564, Connect. = 0.757 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6813 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1232 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 25.348 2.245 0.892 0.797 0.889 0.778 CB 1.725 B: 12 14.419 1.818 0.509 0.869 0.909 0.545 CB 1.273 C: 18 21.542 2.023 0.633 0.905 1.000 0.588 CB 1.126 D: 14 9.854 2.221 0.073 0.437 0.769 0.615 CB 1.590 E: 9 23.277 2.153 0.861 0.898 0.875 0.750 CB 1.679 11 residues pruned to eliminate duplicates F: 19 12.012 2.015 0.069 0.483 0.889 0.444 CB 1.503 14 residues pruned to eliminate duplicates G: 14 11.287 2.209 0.214 0.453 0.769 0.538 CA 1.593 14 residues pruned to eliminate duplicates H: 15 5.383 1.813 0.147 0.431 0.643 0.571 CA 1.155 15 residues pruned to eliminate duplicates I: 18 15.381 2.012 0.016 0.916 1.000 0.941 CB 1.288 17 residues pruned to eliminate duplicates J: 49 27.354 2.069 0.618 0.425 0.833 0.438 CA 1.529 19 residues pruned to eliminate duplicates K: 44 23.108 2.077 0.442 0.423 0.837 0.488 CB 1.524 19 residues pruned to eliminate duplicates L: 7 10.723 1.882 0.175 0.740 1.000 0.667 CB 1.596 M: 11 35.946 2.261 1.019 0.919 1.000 1.000 CA 1.755 10 residues pruned to eliminate duplicates N: 18 29.398 2.228 0.630 0.890 0.941 0.765 CB 1.501 11 residues pruned to eliminate duplicates O: 10 18.506 2.025 0.619 0.896 0.889 0.778 CB 1.515 10 residues pruned to eliminate duplicates P: 12 17.403 2.010 0.541 0.804 0.818 0.818 CA 1.587 12 residues pruned to eliminate duplicates Q: 9 8.090 1.830 0.467 0.442 0.875 0.500 CA 1.293 R: 11 24.400 2.126 0.621 0.896 1.000 0.800 CB 1.604 S: 55 32.439 2.119 0.587 0.488 0.889 0.593 CA 1.494 49 residues pruned to eliminate duplicates T: 17 29.775 2.097 0.543 0.910 1.000 0.750 CB 1.632 17 residues pruned to eliminate duplicates U: 8 9.156 1.712 0.532 0.810 0.857 0.714 CA 1.176 V: 10 23.866 2.394 0.710 0.868 0.889 0.778 CB 1.597 10 residues pruned to eliminate duplicates W: 16 21.502 2.198 0.673 0.866 0.800 0.467 CB 1.381 16 residues pruned to eliminate duplicates X: 11 11.986 1.919 0.472 0.620 1.000 0.500 CA 1.199 Y: 13 16.190 1.968 0.819 0.772 0.750 0.500 CA 1.368 13 residues pruned to eliminate duplicates Z: 9 14.377 1.797 0.606 0.896 1.000 1.000 CA 1.261 7 residues pruned to eliminate duplicates Z: 14 19.112 1.925 0.741 0.869 0.846 0.615 CA 1.366 12 residues pruned to eliminate duplicates Z: 10 11.300 2.107 0.335 0.837 1.000 0.667 CB 1.002 Z: 26 14.296 1.875 0.496 0.347 0.840 0.520 CA 1.433 Z: 58 32.242 2.059 0.508 0.517 0.895 0.456 CB 1.511 40 residues pruned to eliminate duplicates Z: 8 4.619 1.863 0.403 0.310 0.857 0.286 CB 0.962 Z: 19 31.302 2.147 0.609 0.915 1.000 0.667 CB 1.509 10 residues pruned to eliminate duplicates Z: 19 22.792 2.021 0.590 0.845 0.944 0.667 CB 1.316 19 residues pruned to eliminate duplicates Z: 12 7.928 1.906 0.082 0.569 1.000 0.909 CB 1.084 Z: 17 32.681 2.185 0.600 0.923 1.000 0.688 CB 1.643 17 residues pruned to eliminate duplicates Z: 10 9.049 1.801 0.414 0.503 0.889 0.556 CA 1.329 Z: 18 17.132 2.087 0.747 0.422 0.941 0.588 CA 1.314 Z: 17 17.206 2.051 0.289 0.892 0.938 0.812 CB 1.247 17 residues pruned to eliminate duplicates Z: 13 11.486 1.756 0.263 0.845 1.000 0.750 CA 1.111 Z: 9 10.619 1.815 0.556 0.806 0.750 0.500 CA 1.358 Z: 7 9.746 2.074 0.151 0.655 1.000 1.000 CA 1.443 7 residues pruned to eliminate duplicates Z: 14 16.430 2.078 0.100 0.889 1.000 1.000 CB 1.435 14 residues pruned to eliminate duplicates Z: 40 18.062 1.975 0.251 0.438 0.923 0.564 CA 1.352 49 residues pruned to eliminate duplicates Z: 18 20.613 2.021 0.374 0.855 0.941 0.588 CB 1.411 18 residues pruned to eliminate duplicates Z: 8 3.530 1.584 0.012 0.465 1.000 0.571 C 0.863 Z: 9 15.288 2.158 0.438 0.708 1.000 0.750 CB 1.442 Z: 22 16.413 2.056 0.673 0.492 0.857 0.571 CB 1.225 9 residues pruned to eliminate duplicates Z: 15 12.209 1.985 0.574 0.349 0.857 0.357 CA 1.435 Z: 24 12.762 1.945 0.290 0.394 0.913 0.478 CA 1.299 24 residues pruned to eliminate duplicates Z: 12 23.090 1.907 0.804 0.731 1.000 0.636 CA 1.643 11 residues pruned to eliminate duplicates Z: 60 35.716 2.164 0.589 0.542 0.881 0.610 CB 1.472 18 residues pruned to eliminate duplicates Z: 17 20.004 2.060 0.389 0.877 0.938 0.625 CB 1.354 17 residues pruned to eliminate duplicates Z: 9 8.632 1.912 0.131 0.780 1.000 0.750 CA 1.103 9 residues pruned to eliminate duplicates Z: 11 19.426 2.195 0.221 0.906 1.000 0.800 CB 1.629 11 residues pruned to eliminate duplicates Z: 21 14.679 2.038 0.902 0.305 0.850 0.500 CA 1.238 21 residues pruned to eliminate duplicates Z: 18 17.563 1.967 0.478 0.500 0.941 0.588 CB 1.557 Z: 23 16.384 1.987 0.334 0.442 0.909 0.727 CB 1.539 Z: 10 6.613 1.901 0.389 0.354 0.667 0.444 N 1.467 9 residues pruned to eliminate duplicates Z: 38 19.603 2.012 0.510 0.468 0.892 0.595 CB 1.229 30 residues pruned to eliminate duplicates Z: 32 17.180 2.042 0.470 0.416 0.871 0.581 CB 1.289 32 residues pruned to eliminate duplicates Z: 25 12.283 1.965 0.419 0.376 0.750 0.500 CA 1.369 Z: 18 10.299 1.882 0.289 0.355 0.941 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 8 5.086 1.700 0.594 0.225 0.714 0.429 CB 1.371 Z: 10 5.121 1.921 0.077 0.392 0.778 0.667 CB 1.190 10 residues pruned to eliminate duplicates Z: 20 14.720 1.886 0.510 0.661 0.895 0.368 CA 1.142 9 residues pruned to eliminate duplicates Z: 8 13.424 1.767 0.508 0.871 1.000 0.714 CA 1.389 8 residues pruned to eliminate duplicates Z: 8 11.600 1.955 0.147 0.850 0.857 0.429 CB 1.689 6 residues pruned to eliminate duplicates Z: 17 19.006 2.115 0.415 0.870 0.875 0.625 CB 1.324 17 residues pruned to eliminate duplicates Z: 8 18.068 2.228 0.517 0.755 1.000 0.571 CA 1.610 8 residues pruned to eliminate duplicates Z: 13 9.292 1.913 0.183 0.582 1.000 0.833 CB 1.095 12 residues pruned to eliminate duplicates Z: 29 13.306 1.813 0.498 0.395 0.750 0.429 CA 1.380 14 residues pruned to eliminate duplicates Z: 16 7.713 1.832 0.050 0.534 0.933 0.533 CB 1.074 14 residues pruned to eliminate duplicates Z: 13 9.409 1.924 0.225 0.496 0.917 0.500 CB 1.262 Z: 12 21.804 2.024 1.109 0.871 0.818 0.273 CA 1.374 13 residues pruned to eliminate duplicates Z: 12 8.012 1.789 0.351 0.503 0.818 0.455 CB 1.219 Z: 11 11.813 1.765 0.713 0.599 1.000 0.400 CB 1.124 9 residues pruned to eliminate duplicates Z: 9 6.526 2.015 0.219 0.402 0.750 0.500 CB 1.388 8 residues pruned to eliminate duplicates Z: 20 26.721 2.071 0.727 0.904 0.895 0.368 CB 1.364 20 residues pruned to eliminate duplicates Z: 16 7.488 1.838 0.238 0.317 0.933 0.667 CA 1.113 16 residues pruned to eliminate duplicates Z: 10 11.362 1.708 0.895 0.717 1.000 0.889 CB 0.962 Z: 53 23.417 2.059 0.484 0.426 0.808 0.615 CB 1.421 53 residues pruned to eliminate duplicates Z: 9 7.920 1.684 0.922 0.508 0.875 0.500 CB 0.980 9 residues pruned to eliminate duplicates Z: 19 20.661 2.004 0.410 0.896 1.000 0.722 CB 1.235 19 residues pruned to eliminate duplicates Z: 16 14.764 2.119 0.069 0.899 1.000 0.800 CB 1.203 16 residues pruned to eliminate duplicates Z: 41 26.563 2.056 0.637 0.513 0.850 0.675 CA 1.450 31 residues pruned to eliminate duplicates Z: 8 10.541 1.856 0.043 0.859 1.000 0.429 CB 1.514 8 residues pruned to eliminate duplicates Z: 23 17.161 2.202 0.684 0.303 0.818 0.500 CB 1.503 23 residues pruned to eliminate duplicates Z: 20 26.482 2.089 0.619 0.920 0.947 0.632 CB 1.335 20 residues pruned to eliminate duplicates Z: 8 6.202 1.618 0.874 0.377 0.857 0.714 N 1.028 Z: 12 12.358 1.902 0.385 0.596 0.909 0.636 CB 1.419 Z: 17 17.684 2.040 0.192 0.877 1.000 0.812 CB 1.320 17 residues pruned to eliminate duplicates Z: 30 18.573 1.933 0.211 0.639 0.931 0.655 CB 1.389 30 residues pruned to eliminate duplicates Z: 13 14.500 1.841 0.417 0.892 1.000 0.833 CA 1.153 10 residues pruned to eliminate duplicates Z: 58 42.566 2.159 0.619 0.537 0.947 0.579 CB 1.643 32 residues pruned to eliminate duplicates Z: 29 20.669 2.138 0.544 0.479 0.857 0.643 CB 1.410 29 residues pruned to eliminate duplicates Z: 8 3.824 1.863 -0.041 0.515 0.857 0.714 CB 0.929 8 residues pruned to eliminate duplicates Z: 8 15.004 1.957 0.584 0.797 0.857 0.286 CB 1.645 8 residues pruned to eliminate duplicates Z: 6 8.730 2.102 0.096 0.698 1.000 0.600 CA 1.414 8 residues pruned to eliminate duplicates Z: 9 8.318 1.955 0.245 0.673 0.875 0.875 CA 1.177 9 residues pruned to eliminate duplicates Z: 56 43.467 2.199 0.598 0.579 0.945 0.545 CB 1.636 58 residues pruned to eliminate duplicates Z: 11 10.422 1.731 0.638 0.882 0.700 0.500 CB 1.202 11 residues pruned to eliminate duplicates Z: 8 13.219 1.907 0.219 0.843 1.000 0.571 N 1.601 8 residues pruned to eliminate duplicates Z: 24 26.905 2.092 0.669 0.593 0.913 0.435 CA 1.610 19 residues pruned to eliminate duplicates Z: 12 12.316 1.775 0.277 0.848 0.909 0.727 CA 1.337 12 residues pruned to eliminate duplicates Z: 12 12.201 1.929 0.227 0.828 0.727 0.636 CB 1.609 12 residues pruned to eliminate duplicates Z: 10 14.595 1.968 0.336 0.803 0.889 0.778 CA 1.596 10 residues pruned to eliminate duplicates Z: 13 12.900 1.810 0.463 0.880 0.833 0.417 CA 1.222 13 residues pruned to eliminate duplicates Z: 9 12.722 2.048 0.430 0.663 1.000 0.625 CB 1.320 9 residues pruned to eliminate duplicates Z: 38 22.597 2.061 0.540 0.472 0.811 0.351 CA 1.485 40 residues pruned to eliminate duplicates Z: 16 25.096 2.178 0.484 0.882 0.933 0.800 CB 1.554 12 residues pruned to eliminate duplicates Z: 8 8.522 1.723 0.468 0.876 0.857 0.571 CA 1.079 8 residues pruned to eliminate duplicates Z: 11 19.886 2.162 0.358 0.891 1.000 0.800 CA 1.540 11 residues pruned to eliminate duplicates Z: 33 19.206 2.016 0.728 0.542 0.750 0.375 CA 1.247 38 residues pruned to eliminate duplicates Z: 22 20.280 1.941 0.431 0.855 0.857 0.714 CB 1.372 22 residues pruned to eliminate duplicates Z: 9 11.719 1.910 0.208 0.860 1.000 0.750 CA 1.321 9 residues pruned to eliminate duplicates Z: 20 25.980 2.080 0.799 0.666 0.842 0.316 CA 1.623 20 residues pruned to eliminate duplicates Z: 20 27.302 2.150 0.571 0.696 0.947 0.684 CB 1.636 20 residues pruned to eliminate duplicates Z: 13 5.427 1.957 0.375 0.119 0.833 0.417 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 10.048 1.924 0.454 0.515 0.800 0.600 CB 1.400 12 residues pruned to eliminate duplicates Z: 7 7.547 1.926 0.078 0.604 0.833 0.833 O 1.613 7 residues pruned to eliminate duplicates Z: 27 11.018 1.901 0.147 0.348 0.846 0.500 CB 1.381 27 residues pruned to eliminate duplicates Z: 16 25.609 2.198 0.472 0.755 1.000 0.733 CB 1.628 16 residues pruned to eliminate duplicates Z: 15 6.936 1.846 0.217 0.338 0.929 0.643 CB 1.060 15 residues pruned to eliminate duplicates Z: 18 13.417 1.922 0.407 0.449 0.824 0.588 CB 1.539 18 residues pruned to eliminate duplicates Z: 50 25.681 2.047 0.385 0.487 0.898 0.551 CA 1.461 27 residues pruned to eliminate duplicates Z: 14 19.324 2.148 0.455 0.941 1.000 0.769 CB 1.189 14 residues pruned to eliminate duplicates Z: 8 19.918 2.013 0.674 0.815 1.000 1.000 CA 1.699 8 residues pruned to eliminate duplicates Z: 56 30.214 2.121 0.477 0.489 0.855 0.564 CA 1.538 56 residues pruned to eliminate duplicates Z: 17 30.050 2.113 0.596 0.879 1.000 0.750 CB 1.616 17 residues pruned to eliminate duplicates Z: 7 10.783 1.932 0.670 0.568 1.000 0.833 N 1.277 5 residues pruned to eliminate duplicates Z: 10 6.731 1.664 0.401 0.833 0.889 0.778 CA 0.812 10 residues pruned to eliminate duplicates Z: 7 2.497 1.506 0.188 0.371 0.667 0.500 O 0.981 Z: 21 15.370 2.045 0.492 0.552 0.850 0.350 CB 1.260 21 residues pruned to eliminate duplicates Z: 27 19.101 1.972 0.267 0.645 0.923 0.769 CB 1.418 27 residues pruned to eliminate duplicates Z: 6 7.602 1.830 0.382 0.735 0.800 0.800 CB 1.360 Z: 9 6.626 1.826 0.367 0.456 0.875 0.750 CA 1.123 9 residues pruned to eliminate duplicates Z: 29 22.286 1.985 0.663 0.502 0.964 0.607 CA 1.321 29 residues pruned to eliminate duplicates Z: 7 10.439 1.758 0.605 0.825 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 16 36.532 2.174 0.943 0.853 0.933 0.667 CA 1.768 16 residues pruned to eliminate duplicates Z: 12 19.074 1.982 0.726 0.906 0.818 0.545 CB 1.462 12 residues pruned to eliminate duplicates Z: 16 33.806 2.190 0.733 0.910 0.933 0.600 CA 1.747 17 residues pruned to eliminate duplicates Z: 36 22.321 2.084 0.478 0.497 0.771 0.457 CA 1.592 36 residues pruned to eliminate duplicates Z: 54 31.228 2.011 0.468 0.564 0.906 0.509 CB 1.508 29 residues pruned to eliminate duplicates Z: 11 9.538 1.870 0.134 0.530 1.000 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 9 9.517 1.835 0.343 0.578 1.000 0.875 CB 1.267 9 residues pruned to eliminate duplicates Z: 44 27.626 2.025 0.622 0.495 0.814 0.442 CB 1.584 44 residues pruned to eliminate duplicates Z: 6 2.562 1.349 0.047 0.390 1.000 0.400 CB 0.912 Z: 8 19.912 2.153 0.806 0.826 1.000 0.857 CA 1.459 11 residues pruned to eliminate duplicates Z: 10 10.826 1.840 0.464 0.707 0.889 0.778 CB 1.249 10 residues pruned to eliminate duplicates Z: 8 3.964 1.695 0.380 0.337 0.714 0.286 CB 1.071 8 residues pruned to eliminate duplicates Z: 20 17.296 1.934 0.577 0.498 0.895 0.526 CB 1.457 20 residues pruned to eliminate duplicates Z: 11 7.955 1.787 0.212 0.494 1.000 0.500 CB 1.169 11 residues pruned to eliminate duplicates Z: 21 13.541 1.999 0.406 0.427 0.900 0.550 CB 1.292 21 residues pruned to eliminate duplicates Z: 30 19.050 2.057 0.531 0.347 0.828 0.483 CA 1.602 30 residues pruned to eliminate duplicates Z: 6 5.054 1.862 0.582 0.397 0.600 0.600 CB 1.426 6 residues pruned to eliminate duplicates Z: 10 2.914 1.623 0.128 0.351 0.889 0.556 CB 0.702 Z: 26 25.306 2.117 0.479 0.616 1.000 0.680 CA 1.448 26 residues pruned to eliminate duplicates Z: 6 2.843 1.656 -0.196 0.604 0.800 0.400 O 1.081 Z: 7 4.149 1.755 0.375 0.248 0.667 0.667 CA 1.408 5 residues pruned to eliminate duplicates Z: 10 16.146 1.984 0.804 0.834 0.778 0.444 C 1.450 10 residues pruned to eliminate duplicates Z: 20 13.032 2.043 0.275 0.561 0.842 0.579 CA 1.284 20 residues pruned to eliminate duplicates Z: 13 12.347 1.924 0.411 0.571 0.917 0.667 CB 1.337 13 residues pruned to eliminate duplicates Z: 7 3.953 1.667 0.514 0.247 0.667 0.500 N 1.283 7 residues pruned to eliminate duplicates Z: 63 35.631 2.052 0.581 0.606 0.903 0.645 CA 1.396 60 residues pruned to eliminate duplicates Z: 38 26.907 2.059 0.637 0.450 0.892 0.459 CA 1.548 38 residues pruned to eliminate duplicates Z: 31 21.904 2.057 0.301 0.650 0.900 0.767 CB 1.443 31 residues pruned to eliminate duplicates Z: 6 2.372 1.544 -0.376 0.693 1.000 0.600 CB 0.922 Z: 9 13.282 1.940 0.327 0.881 1.000 0.750 CB 1.321 9 residues pruned to eliminate duplicates Z: 22 16.977 2.109 0.426 0.528 0.857 0.619 CB 1.398 22 residues pruned to eliminate duplicates Z: 62 40.211 2.031 0.645 0.630 0.934 0.508 CA 1.459 36 residues pruned to eliminate duplicates Z: 21 28.348 2.028 0.796 0.925 0.950 0.450 CB 1.285 21 residues pruned to eliminate duplicates Z: 11 5.081 1.685 0.063 0.504 0.900 0.600 CB 0.993 Z: 10 9.081 1.962 0.483 0.619 0.778 0.778 CA 1.196 9 residues pruned to eliminate duplicates Z: 7 7.363 1.793 0.195 0.631 1.000 0.833 CB 1.240 Z: 12 20.781 2.070 0.610 0.857 0.909 0.545 CB 1.524 14 residues pruned to eliminate duplicates Z: 6 3.897 1.398 0.523 0.738 1.000 0.600 CB 0.661 Z: 9 10.763 1.818 0.475 0.540 1.000 0.500 CB 1.364 8 residues pruned to eliminate duplicates Z: 16 12.080 1.791 0.543 0.398 1.000 0.533 CB 1.257 16 residues pruned to eliminate duplicates Z: 14 14.211 1.881 0.573 0.440 0.923 0.615 CB 1.536 14 residues pruned to eliminate duplicates Z: 29 13.498 1.858 0.493 0.308 0.893 0.500 CA 1.275 29 residues pruned to eliminate duplicates Z: 8 7.291 1.998 0.664 0.307 0.714 0.571 CB 1.437 Z: 9 3.824 2.076 0.270 0.303 0.625 0.500 CA 1.022 11 residues pruned to eliminate duplicates Z: 17 17.760 2.057 0.402 0.616 0.875 0.500 CA 1.576 15 residues pruned to eliminate duplicates Z: 9 4.951 1.599 -0.005 0.543 1.000 0.875 C 1.055 9 residues pruned to eliminate duplicates Z: 7 3.917 1.677 0.258 0.442 1.000 0.667 CB 0.805 7 residues pruned to eliminate duplicates Z: 16 32.402 2.245 0.788 0.912 1.000 0.533 CB 1.476 15 residues pruned to eliminate duplicates Z: 6 6.226 1.845 0.272 0.480 1.000 0.400 CB 1.210 Z: 7 7.621 2.090 0.109 0.784 1.000 1.000 CA 1.045 8 residues pruned to eliminate duplicates Z: 7 7.127 1.866 0.381 0.472 0.833 0.500 N 1.394 Z: 12 5.246 1.563 0.312 0.411 0.727 0.545 CA 1.165 12 residues pruned to eliminate duplicates Z: 38 24.460 2.032 0.618 0.447 0.811 0.405 CA 1.592 38 residues pruned to eliminate duplicates Z: 9 7.496 1.885 0.324 0.525 0.875 0.500 CA 1.184 9 residues pruned to eliminate duplicates 6 0.922 1.274 -0.322 0.401 0.600 0.600 CB 0.883 ? Z: 13 9.089 1.807 0.566 0.477 0.833 0.417 CB 1.138 13 residues pruned to eliminate duplicates Z: 31 21.460 1.967 0.448 0.599 0.900 0.767 CB 1.391 31 residues pruned to eliminate duplicates Z: 23 14.311 2.042 0.419 0.414 0.864 0.636 CA 1.334 22 residues pruned to eliminate duplicates Z: 13 18.850 1.970 0.648 0.884 1.000 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 12 8.184 1.973 0.093 0.482 0.909 0.364 CB 1.281 12 residues pruned to eliminate duplicates Z: 29 19.060 2.024 0.595 0.394 0.821 0.571 CB 1.520 29 residues pruned to eliminate duplicates Z: 29 16.971 1.901 0.904 0.431 0.786 0.464 CA 1.212 29 residues pruned to eliminate duplicates Z: 17 15.382 1.960 0.542 0.496 0.938 0.562 CB 1.364 18 residues pruned to eliminate duplicates Z: 21 25.267 2.142 0.468 0.713 0.950 0.900 CB 1.559 21 residues pruned to eliminate duplicates Z: 17 20.406 1.949 0.809 0.900 0.875 0.562 CB 1.181 Z: 7 3.649 1.168 0.840 0.588 1.000 0.333 CB 0.637 7 residues pruned to eliminate duplicates Z: 17 35.492 2.216 0.817 0.918 0.938 0.562 CB 1.657 17 residues pruned to eliminate duplicates Z: 28 15.594 1.945 0.499 0.347 0.852 0.481 CB 1.426 28 residues pruned to eliminate duplicates Z: 15 11.963 2.230 0.197 0.436 0.786 0.714 CA 1.628 15 residues pruned to eliminate duplicates Z: 40 24.536 2.020 0.638 0.469 0.846 0.410 CA 1.448 37 residues pruned to eliminate duplicates Z: 16 9.599 1.938 0.210 0.305 0.933 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 33 23.947 2.034 0.573 0.471 0.906 0.469 CA 1.504 33 residues pruned to eliminate duplicates Z: 22 9.785 1.917 0.465 0.185 0.810 0.381 CA 1.371 22 residues pruned to eliminate duplicates Z: 13 12.659 1.902 0.339 0.568 0.917 0.500 CB 1.466 14 residues pruned to eliminate duplicates Z: 15 7.647 1.942 0.342 0.264 0.786 0.286 CB 1.307 15 residues pruned to eliminate duplicates Z: 37 16.443 1.921 0.397 0.390 0.833 0.611 CA 1.377 36 residues pruned to eliminate duplicates Z: 19 14.155 1.945 0.203 0.533 1.000 0.556 CB 1.380 19 residues pruned to eliminate duplicates Z: 6 9.608 1.803 0.613 0.520 1.000 0.800 O 1.448 7 residues pruned to eliminate duplicates Z: 9 10.600 1.934 0.114 0.885 1.000 0.875 CB 1.256 9 residues pruned to eliminate duplicates Z: 10 7.984 1.673 0.487 0.562 0.778 0.667 O 1.296 Z: 7 9.500 1.953 0.307 0.803 1.000 0.667 CA 1.166 7 residues pruned to eliminate duplicates Z: 7 4.589 1.692 -0.180 0.853 1.000 1.000 N 0.997 9 residues pruned to eliminate duplicates Z: 20 30.114 2.094 0.707 0.911 1.000 0.632 CB 1.370 20 residues pruned to eliminate duplicates Z: 19 7.889 1.828 0.050 0.347 0.889 0.444 CB 1.287 19 residues pruned to eliminate duplicates Z: 9 8.209 1.792 0.282 0.604 1.000 0.750 CB 1.145 Z: 9 6.850 1.893 0.208 0.616 0.875 0.750 CA 1.084 9 residues pruned to eliminate duplicates Z: 11 7.336 1.860 0.270 0.437 0.900 0.500 CB 1.165 10 residues pruned to eliminate duplicates Z: 10 7.890 1.911 0.363 0.506 1.000 0.556 CB 1.003 11 residues pruned to eliminate duplicates Z: 32 27.863 2.206 0.583 0.567 0.903 0.548 CB 1.487 32 residues pruned to eliminate duplicates Z: 19 19.772 2.011 0.436 0.894 0.944 0.444 CB 1.226 36 residues pruned to eliminate duplicates Z: 6 7.036 1.869 0.091 0.836 1.000 1.000 CB 1.155 6 residues pruned to eliminate duplicates Z: 6 2.679 1.765 -0.365 0.665 0.800 0.800 C 1.147 Z: 8 3.897 1.656 0.126 0.544 0.857 0.714 CB 0.883 8 residues pruned to eliminate duplicates Z: 6 9.026 1.935 0.772 0.599 0.800 0.800 CB 1.340 11 residues pruned to eliminate duplicates Z: 6 3.561 1.521 0.095 0.816 1.000 0.600 CB 0.726 6 residues pruned to eliminate duplicates Z: 36 23.100 2.079 0.518 0.477 0.914 0.486 CB 1.385 33 residues pruned to eliminate duplicates Z: 11 3.137 1.717 0.308 0.272 0.700 0.400 CA 0.817 Z: 24 14.387 2.018 0.311 0.437 0.913 0.522 CB 1.325 24 residues pruned to eliminate duplicates Z: 10 13.422 1.841 0.883 0.815 0.778 0.778 CA 1.262 10 residues pruned to eliminate duplicates Z: 24 15.825 1.863 0.446 0.474 0.870 0.609 CA 1.446 24 residues pruned to eliminate duplicates Z: 8 5.750 1.601 0.400 0.651 0.857 0.714 CB 0.983 10 residues pruned to eliminate duplicates 8 1.283 1.195 0.326 0.275 0.714 0.429 N 0.553 ? Z: 15 14.905 2.139 0.383 0.866 0.857 0.714 CB 1.150 15 residues pruned to eliminate duplicates Z: 8 6.097 1.521 0.812 0.465 0.714 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 8 6.451 1.707 0.259 0.566 1.000 0.571 N 1.064 8 residues pruned to eliminate duplicates Z: 6 4.256 1.084 0.956 0.730 1.000 0.800 N 0.729 Z: 20 12.161 1.966 0.486 0.383 0.895 0.579 CB 1.208 Z: 11 4.960 1.707 0.278 0.426 0.800 0.600 CB 0.971 11 residues pruned to eliminate duplicates Z: 14 10.479 1.968 0.235 0.465 0.846 0.385 CA 1.465 14 residues pruned to eliminate duplicates Z: 29 17.741 2.153 0.460 0.436 0.857 0.571 CB 1.330 29 residues pruned to eliminate duplicates Z: 16 15.267 1.707 0.426 0.905 0.933 0.800 CA 1.235 14 residues pruned to eliminate duplicates Z: 9 11.178 2.070 0.441 0.717 0.875 0.875 CA 1.244 9 residues pruned to eliminate duplicates Z: 8 12.916 2.047 0.412 0.855 1.000 0.714 CB 1.246 8 residues pruned to eliminate duplicates Z: 8 4.265 1.797 0.272 0.218 0.714 0.571 CB 1.374 7 residues pruned to eliminate duplicates Z: 26 13.755 1.943 0.556 0.385 0.840 0.560 CA 1.224 26 residues pruned to eliminate duplicates Z: 21 29.990 2.054 0.686 0.877 0.950 0.750 CB 1.480 21 residues pruned to eliminate duplicates Z: 12 27.800 2.024 0.848 0.889 1.000 0.455 C 1.614 12 residues pruned to eliminate duplicates Z: 21 10.233 1.694 0.405 0.395 0.750 0.550 CA 1.433 21 residues pruned to eliminate duplicates Z: 8 6.677 1.765 0.036 0.631 1.000 0.429 C 1.220 8 residues pruned to eliminate duplicates Z: 12 9.970 1.781 0.458 0.390 0.818 0.545 CA 1.590 10 residues pruned to eliminate duplicates Z: 9 19.332 2.040 0.751 0.817 1.000 0.625 CA 1.453 9 residues pruned to eliminate duplicates Z: 6 3.820 1.483 0.250 0.533 0.800 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 26 20.914 2.006 0.437 0.588 1.000 0.760 CA 1.333 26 residues pruned to eliminate duplicates Z: 29 13.767 2.033 0.353 0.332 0.786 0.393 CB 1.447 28 residues pruned to eliminate duplicates Z: 8 4.148 1.515 0.664 0.409 0.857 0.429 CB 0.798 8 residues pruned to eliminate duplicates Z: 11 5.286 1.731 0.589 0.329 0.700 0.400 CB 1.047 11 residues pruned to eliminate duplicates Z: 20 22.668 2.006 0.849 0.905 0.947 0.526 CB 1.053 20 residues pruned to eliminate duplicates Z: 23 27.088 2.013 0.598 0.666 0.909 0.682 N 1.694 20 residues pruned to eliminate duplicates Z: 12 10.238 1.489 0.527 0.711 0.909 0.545 O 1.233 Z: 21 12.152 1.893 0.407 0.412 0.900 0.600 CB 1.243 21 residues pruned to eliminate duplicates Z: 6 8.186 2.117 0.187 0.526 0.800 0.400 CA 1.775 6 residues pruned to eliminate duplicates Z: 8 9.904 2.046 0.311 0.879 0.857 0.429 CB 1.181 8 residues pruned to eliminate duplicates Z: 6 2.393 1.476 0.090 0.635 0.800 0.600 C 0.733 6 residues pruned to eliminate duplicates Z: 15 19.229 1.800 0.792 0.872 1.000 0.500 CA 1.162 15 residues pruned to eliminate duplicates Z: 18 4.589 1.909 0.258 0.186 0.588 0.294 CB 1.149 18 residues pruned to eliminate duplicates Z: 7 4.134 1.610 0.357 0.625 0.667 0.500 CB 1.030 7 residues pruned to eliminate duplicates Z: 10 9.657 1.922 0.113 0.711 1.000 0.667 CB 1.242 12 residues pruned to eliminate duplicates Z: 10 5.750 1.637 0.581 0.472 0.667 0.556 CA 1.142 10 residues pruned to eliminate duplicates Z: 6 4.551 1.829 -0.007 0.393 1.000 0.400 CB 1.255 Z: 7 5.066 1.715 0.048 0.624 0.833 0.667 CB 1.229 7 residues pruned to eliminate duplicates 9 1.606 1.271 0.221 0.268 0.750 0.500 CB 0.635 ? Z: 16 17.136 1.981 0.415 0.897 1.000 0.800 CB 1.130 16 residues pruned to eliminate duplicates Z: 13 7.748 1.905 0.207 0.356 0.917 0.833 CB 1.239 13 residues pruned to eliminate duplicates Z: 12 6.245 1.777 0.143 0.491 0.909 0.545 CA 1.029 12 residues pruned to eliminate duplicates Z: 29 25.267 1.931 0.587 0.669 0.964 0.750 CB 1.382 29 residues pruned to eliminate duplicates Z: 29 15.040 1.868 0.411 0.417 0.893 0.500 CA 1.317 29 residues pruned to eliminate duplicates Z: 10 5.343 1.583 0.096 0.438 1.000 0.444 CB 1.094 10 residues pruned to eliminate duplicates Z: 10 3.446 1.541 -0.070 0.401 0.778 0.333 CB 1.144 5 residues pruned to eliminate duplicates Z: 8 14.942 2.204 0.661 0.846 0.857 0.429 CB 1.338 8 residues pruned to eliminate duplicates Z: 14 16.568 1.775 0.730 0.766 0.923 0.462 CA 1.280 14 residues pruned to eliminate duplicates Z: 20 21.026 1.937 0.595 0.900 0.842 0.526 CB 1.325 20 residues pruned to eliminate duplicates Z: 6 2.464 1.554 0.507 0.635 0.600 0.600 CA 0.691 6 residues pruned to eliminate duplicates Z: 23 15.382 2.016 0.331 0.504 0.909 0.636 CA 1.339 23 residues pruned to eliminate duplicates Z: 6 3.843 1.393 0.583 0.503 0.800 0.400 CA 0.972 Z: 12 5.572 1.826 0.565 0.450 0.636 0.455 CB 0.972 12 residues pruned to eliminate duplicates Z: 12 4.355 1.624 0.133 0.333 0.909 0.636 CB 0.942 12 residues pruned to eliminate duplicates Z: 6 4.366 1.761 0.072 0.512 1.000 0.400 CB 1.022 Z: 39 14.906 1.877 0.284 0.325 0.895 0.421 CA 1.359 25 residues pruned to eliminate duplicates Z: 18 10.952 1.824 0.502 0.471 0.882 0.471 CB 1.132 18 residues pruned to eliminate duplicates Z: 10 6.537 1.629 0.405 0.519 0.778 0.556 CB 1.202 Z: 10 8.767 1.764 0.215 0.816 1.000 0.667 CA 1.035 10 residues pruned to eliminate duplicates Z: 19 27.057 2.084 0.551 0.872 1.000 0.667 CB 1.439 19 residues pruned to eliminate duplicates Z: 14 5.816 1.754 0.460 0.200 0.692 0.231 CA 1.300 14 residues pruned to eliminate duplicates Z: 9 7.536 1.652 0.795 0.637 0.875 0.625 CB 0.903 9 residues pruned to eliminate duplicates Z: 9 5.037 1.459 1.075 0.413 0.750 0.750 CB 0.860 Z: 8 5.167 1.709 0.562 0.350 0.714 0.429 CA 1.206 7 residues pruned to eliminate duplicates Z: 7 4.461 1.807 0.419 0.402 0.833 0.500 CB 0.945 Z: 13 10.884 1.913 0.352 0.440 0.917 0.500 CB 1.410 13 residues pruned to eliminate duplicates Z: 6 5.128 1.524 0.204 0.559 1.000 0.800 C 1.179 Z: 23 13.355 1.984 0.177 0.433 0.909 0.727 CA 1.437 23 residues pruned to eliminate duplicates Z: 28 20.692 1.905 0.442 0.619 0.889 0.741 CB 1.457 28 residues pruned to eliminate duplicates Z: 12 10.451 1.818 0.094 0.881 1.000 0.909 CA 1.148 12 residues pruned to eliminate duplicates Z: 7 8.705 1.726 0.336 0.796 0.833 0.500 O 1.427 7 residues pruned to eliminate duplicates Z: 24 11.831 1.865 0.482 0.364 0.826 0.522 CA 1.250 24 residues pruned to eliminate duplicates Z: 54 36.206 2.168 0.401 0.578 0.962 0.623 CB 1.578 54 residues pruned to eliminate duplicates Z: 7 8.059 1.690 0.025 0.795 1.000 0.833 C 1.467 Z: 23 15.538 2.089 0.593 0.455 0.818 0.545 CB 1.274 23 residues pruned to eliminate duplicates Z: 8 10.137 2.054 0.117 0.892 1.000 0.857 CB 1.200 8 residues pruned to eliminate duplicates Z: 29 23.519 2.039 0.810 0.500 0.821 0.357 CA 1.467 28 residues pruned to eliminate duplicates Z: 7 4.524 1.738 0.314 0.379 0.667 0.333 CB 1.380 7 residues pruned to eliminate duplicates Z: 18 14.529 1.892 0.318 0.671 0.941 0.765 CB 1.282 18 residues pruned to eliminate duplicates Z: 8 3.625 1.438 0.322 0.432 0.857 0.571 CB 0.902 Z: 22 18.684 2.123 0.610 0.571 0.857 0.619 CB 1.300 22 residues pruned to eliminate duplicates Z: 21 30.363 2.034 0.746 0.912 0.950 0.650 CB 1.426 21 residues pruned to eliminate duplicates Z: 17 23.094 2.071 0.389 0.780 1.000 0.688 CB 1.568 17 residues pruned to eliminate duplicates Z: 8 5.391 1.858 0.229 0.591 0.857 0.714 CA 0.955 8 residues pruned to eliminate duplicates Z: 10 18.075 1.837 0.757 0.889 1.000 1.000 CB 1.344 10 residues pruned to eliminate duplicates Z: 7 8.540 2.109 0.224 0.704 1.000 0.833 CB 1.122 7 residues pruned to eliminate duplicates Z: 16 10.554 2.140 0.044 0.463 0.800 0.533 CB 1.583 16 residues pruned to eliminate duplicates Z: 13 32.132 2.318 0.574 0.916 1.000 0.833 CA 1.795 13 residues pruned to eliminate duplicates Z: 6 9.596 1.930 0.321 0.693 1.000 0.600 N 1.410 6 residues pruned to eliminate duplicates Z: 9 7.318 1.958 0.691 0.554 0.750 0.750 CA 0.988 9 residues pruned to eliminate duplicates Z: 13 17.161 1.936 0.615 0.598 0.917 0.667 N 1.574 13 residues pruned to eliminate duplicates Z: 9 9.043 1.769 0.282 0.685 1.000 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 9 7.685 1.902 0.081 0.858 0.875 0.500 CB 1.112 9 residues pruned to eliminate duplicates Z: 11 12.809 2.003 0.350 0.591 1.000 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 10 13.735 1.988 0.265 0.656 1.000 0.667 CA 1.574 10 residues pruned to eliminate duplicates Z: 8 2.530 1.690 0.113 0.239 0.571 0.571 CA 1.204 8 residues pruned to eliminate duplicates Z: 8 4.802 1.278 0.814 0.515 0.857 0.429 C 0.900 Z: 18 20.130 2.068 0.579 0.842 0.882 0.706 CB 1.263 18 residues pruned to eliminate duplicates Z: 15 14.508 2.051 0.301 0.414 1.000 0.643 CA 1.590 15 residues pruned to eliminate duplicates Z: 12 8.455 1.843 0.479 0.346 0.818 0.455 CB 1.350 12 residues pruned to eliminate duplicates Z: 8 3.215 1.394 0.011 0.391 1.000 0.714 CB 0.968 Z: 27 24.825 2.079 0.637 0.554 0.923 0.808 CB 1.470 27 residues pruned to eliminate duplicates Z: 7 10.511 2.120 0.466 0.665 0.833 0.833 CA 1.422 7 residues pruned to eliminate duplicates Z: 6 3.396 1.319 0.691 0.813 0.800 0.400 CB 0.648 Z: 6 4.234 1.724 -0.276 0.550 1.000 0.600 N 1.445 6 residues pruned to eliminate duplicates Z: 12 6.033 1.838 0.024 0.462 1.000 0.818 CB 1.005 12 residues pruned to eliminate duplicates Z: 55 38.218 2.150 0.587 0.567 0.926 0.630 CB 1.543 55 residues pruned to eliminate duplicates Z: 6 3.272 1.454 0.042 0.533 1.000 0.800 CB 0.935 Z: 6 8.126 1.716 0.178 0.816 1.000 0.400 CA 1.366 6 residues pruned to eliminate duplicates 6 1.907 1.372 0.435 0.339 0.600 0.400 N 0.860 ? Z: 57 20.589 1.939 0.447 0.411 0.786 0.554 CA 1.370 57 residues pruned to eliminate duplicates Z: 15 10.863 1.897 0.327 0.570 0.929 0.643 CA 1.161 15 residues pruned to eliminate duplicates Z: 6 5.091 1.591 0.659 0.294 1.000 0.400 CA 1.086 Z: 16 19.049 2.019 0.560 0.545 1.000 0.867 CB 1.494 16 residues pruned to eliminate duplicates Z: 7 9.877 2.210 0.105 0.804 1.000 1.000 CA 1.266 7 residues pruned to eliminate duplicates Z: 6 7.433 1.818 0.693 0.497 1.000 0.800 CB 1.083 Z: 7 2.196 1.615 -0.100 0.404 0.667 0.667 CA 1.024 7 residues pruned to eliminate duplicates Z: 10 12.109 1.907 0.565 0.769 0.889 0.778 CB 1.199 11 residues pruned to eliminate duplicates 9 1.730 1.371 0.326 0.333 0.625 0.250 CB 0.646 ? 6 1.204 1.433 0.088 0.299 0.400 0.400 CA 1.080 ? 6 1.000 1.271 0.841 0.428 0.400 0.400 N 0.515 ? Z: 16 10.420 2.172 0.143 0.393 0.733 0.533 CA 1.655 16 residues pruned to eliminate duplicates Z: 9 10.295 2.063 0.394 0.517 1.000 0.625 CB 1.245 9 residues pruned to eliminate duplicates Z: 6 6.828 1.812 0.038 0.782 1.000 0.600 C 1.266 11 residues pruned to eliminate duplicates Z: 22 16.387 2.146 0.833 0.283 0.810 0.476 CB 1.435 22 residues pruned to eliminate duplicates Z: 8 5.519 1.799 0.326 0.511 1.000 0.429 CB 0.865 8 residues pruned to eliminate duplicates Z: 6 3.093 1.556 0.088 0.533 0.800 0.600 N 0.988 Z: 35 28.101 2.081 0.687 0.556 0.853 0.529 CA 1.525 35 residues pruned to eliminate duplicates Z: 21 10.299 1.972 0.513 0.345 0.750 0.550 CB 1.217 21 residues pruned to eliminate duplicates Z: 10 3.596 1.422 0.316 0.365 0.778 0.333 CB 0.952 Z: 10 6.488 1.793 0.106 0.617 1.000 0.889 CB 0.976 10 residues pruned to eliminate duplicates Z: 7 2.053 1.245 0.399 0.315 1.000 0.333 CB 0.591 Z: 18 9.083 1.840 0.395 0.423 0.765 0.412 CB 1.215 18 residues pruned to eliminate duplicates Z: 10 11.875 1.717 0.441 0.856 1.000 0.667 CA 1.180 10 residues pruned to eliminate duplicates Z: 8 6.268 1.692 0.613 0.442 0.857 0.714 CB 1.075 8 residues pruned to eliminate duplicates Z: 8 3.146 1.410 0.436 0.384 1.000 0.571 CB 0.664 Z: 23 9.223 1.934 0.605 0.236 0.773 0.409 CB 1.114 23 residues pruned to eliminate duplicates Z: 26 18.200 1.983 0.298 0.571 0.880 0.680 CB 1.500 26 residues pruned to eliminate duplicates Z: 9 11.476 1.758 0.412 0.601 1.000 0.875 CA 1.485 9 residues pruned to eliminate duplicates Z: 19 17.323 1.999 0.613 0.554 0.889 0.611 CA 1.353 19 residues pruned to eliminate duplicates Z: 18 16.432 2.051 0.047 0.839 1.000 0.882 CB 1.386 18 residues pruned to eliminate duplicates Z: 8 7.105 1.694 0.307 0.561 1.000 0.857 CB 1.142 8 residues pruned to eliminate duplicates Z: 12 4.779 2.046 0.119 0.274 0.545 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 6 7.585 1.611 0.418 0.670 1.000 0.600 N 1.269 6 residues pruned to eliminate duplicates Z: 7 5.451 1.428 0.481 0.454 1.000 0.500 N 1.103 7 residues pruned to eliminate duplicates Z: 43 34.023 2.082 0.664 0.602 0.857 0.381 CA 1.605 34 residues pruned to eliminate duplicates Z: 22 14.497 1.955 0.375 0.554 0.905 0.619 CA 1.235 22 residues pruned to eliminate duplicates Z: 19 38.463 2.104 0.988 0.938 1.000 0.389 CB 1.507 19 residues pruned to eliminate duplicates Z: 6 2.539 1.373 0.271 0.409 0.800 0.400 CB 0.895 Z: 6 2.450 1.265 -0.156 0.589 1.000 0.600 O 0.942 Z: 12 7.106 1.925 0.061 0.523 1.000 0.727 CB 1.026 12 residues pruned to eliminate duplicates Z: 6 4.628 1.395 0.808 0.623 0.800 0.600 CB 0.913 Z: 8 5.095 1.635 0.386 0.360 1.000 0.429 CB 0.987 6 residues pruned to eliminate duplicates Z: 11 7.365 1.655 0.026 0.666 1.000 0.800 N 1.176 9 residues pruned to eliminate duplicates 6 1.712 1.551 -0.192 0.437 1.000 1.000 CB 0.652 ? Z: 7 2.812 1.665 -0.107 0.514 0.833 0.667 CB 0.914 Z: 7 2.987 1.694 -0.095 0.670 1.000 0.667 CB 0.680 7 residues pruned to eliminate duplicates Z: 18 26.955 2.125 0.813 0.700 0.882 0.529 CA 1.602 18 residues pruned to eliminate duplicates Z: 35 18.041 1.894 0.548 0.440 0.824 0.265 CB 1.363 35 residues pruned to eliminate duplicates Z: 11 5.132 1.589 0.725 0.330 0.700 0.300 CB 1.019 8 residues pruned to eliminate duplicates Z: 12 17.968 1.779 0.738 0.852 1.000 0.727 CA 1.296 12 residues pruned to eliminate duplicates Z: 7 12.284 1.617 0.616 0.884 1.000 0.667 CB 1.387 5 residues pruned to eliminate duplicates Z: 10 25.781 2.109 0.796 0.890 0.889 0.556 CB 1.837 10 residues pruned to eliminate duplicates Z: 26 10.423 1.943 0.364 0.281 0.800 0.440 CA 1.259 23 residues pruned to eliminate duplicates Z: 14 10.107 1.888 0.298 0.402 0.846 0.538 CA 1.498 14 residues pruned to eliminate duplicates Z: 10 6.190 1.971 0.326 0.447 0.667 0.333 CA 1.251 10 residues pruned to eliminate duplicates Z: 10 8.994 1.966 0.270 0.541 0.889 0.667 CB 1.298 10 residues pruned to eliminate duplicates Z: 7 2.036 1.481 0.324 0.219 0.833 0.500 CB 0.708 7 residues pruned to eliminate duplicates Z: 8 3.607 1.366 0.092 0.356 1.000 0.429 CB 1.067 Z: 31 26.542 2.208 0.556 0.512 0.933 0.667 CB 1.493 31 residues pruned to eliminate duplicates Z: 10 7.306 1.858 0.425 0.424 0.889 0.444 CA 1.120 10 residues pruned to eliminate duplicates Z: 20 12.237 1.855 0.309 0.484 0.842 0.579 CB 1.396 20 residues pruned to eliminate duplicates Z: 24 13.585 1.887 0.434 0.497 0.913 0.652 CB 1.150 24 residues pruned to eliminate duplicates Z: 6 2.455 1.485 0.037 0.299 0.800 0.400 CA 1.115 Z: 6 3.664 1.315 0.181 0.755 1.000 0.800 CB 0.841 6 residues pruned to eliminate duplicates Z: 7 5.018 1.781 0.444 0.627 1.000 0.833 CA 0.707 7 residues pruned to eliminate duplicates Z: 14 18.703 2.220 0.597 0.503 0.923 0.769 CA 1.581 14 residues pruned to eliminate duplicates Z: 9 3.980 1.524 1.045 0.218 0.750 0.375 CB 0.838 Z: 7 3.891 1.108 0.903 0.727 0.833 0.667 CB 0.737 Z: 10 6.068 1.604 0.199 0.446 0.778 0.444 CA 1.430 Z: 9 4.304 1.565 0.377 0.495 0.625 0.375 CB 1.136 7 residues pruned to eliminate duplicates Z: 9 3.427 1.408 0.584 0.303 0.750 0.375 CB 0.903 Z: 8 8.581 1.672 0.998 0.669 0.857 0.571 CB 0.969 9 residues pruned to eliminate duplicates Z: 19 13.867 1.971 0.535 0.463 0.889 0.611 CB 1.262 19 residues pruned to eliminate duplicates Z: 9 9.517 1.758 0.339 0.869 1.000 0.875 CA 1.044 9 residues pruned to eliminate duplicates Z: 8 2.611 1.321 0.394 0.402 0.714 0.429 CB 0.832 Z: 32 12.320 1.827 0.462 0.369 0.742 0.452 CB 1.285 32 residues pruned to eliminate duplicates Z: 6 2.616 1.439 0.153 0.295 0.800 0.600 CA 1.109 Z: 6 2.461 1.026 0.447 0.697 0.800 0.800 N 0.774 Z: 7 3.046 1.356 0.223 0.474 0.833 0.500 O 0.923 Z: 13 7.897 1.984 0.554 0.257 0.750 0.333 CB 1.302 13 residues pruned to eliminate duplicates Z: 6 6.779 1.355 0.769 0.856 1.000 0.800 N 0.933 Z: 20 12.599 2.071 0.665 0.391 0.737 0.579 CB 1.277 20 residues pruned to eliminate duplicates Z: 8 2.153 1.488 -0.076 0.267 0.714 0.429 CB 1.081 Z: 6 2.169 1.502 0.231 0.286 0.800 0.400 CB 0.834 Z: 6 2.614 1.339 1.184 0.294 0.600 0.400 N 0.840 Z: 15 4.661 1.589 0.418 0.326 0.714 0.500 CB 0.937 14 residues pruned to eliminate duplicates Z: 50 32.447 1.970 0.683 0.618 0.939 0.449 CB 1.332 50 residues pruned to eliminate duplicates Z: 9 5.519 1.572 0.632 0.490 0.875 0.750 CB 0.878 Z: 6 2.914 1.389 0.427 0.408 0.600 0.400 CB 1.207 Z: 9 6.520 1.883 0.405 0.399 0.750 0.375 CA 1.291 9 residues pruned to eliminate duplicates Z: 7 6.396 1.363 0.779 0.711 0.833 0.667 CA 1.067 Z: 10 16.645 1.917 0.862 0.869 0.889 0.778 CA 1.277 10 residues pruned to eliminate duplicates Z: 16 10.488 1.988 0.372 0.377 0.800 0.600 CB 1.415 16 residues pruned to eliminate duplicates Z: 11 6.917 1.614 0.407 0.511 0.900 0.700 CB 1.059 10 residues pruned to eliminate duplicates Z: 6 2.930 1.418 0.372 0.436 0.800 0.600 CB 0.899 6 residues pruned to eliminate duplicates Z: 7 4.512 1.573 0.282 0.577 0.833 0.667 C 1.017 Z: 11 10.119 1.948 0.252 0.454 1.000 0.700 CA 1.375 10 residues pruned to eliminate duplicates 6 1.413 1.072 0.619 0.369 0.600 0.200 N 0.699 ? Z: 11 8.110 1.767 0.962 0.827 0.600 0.300 CB 0.929 11 residues pruned to eliminate duplicates Z: 6 5.711 1.652 0.824 0.416 0.800 0.600 CB 1.157 Z: 8 2.551 1.484 0.351 0.236 0.714 0.429 CB 0.915 Z: 28 19.066 2.136 0.636 0.432 0.889 0.519 CB 1.268 28 residues pruned to eliminate duplicates 8 1.556 1.391 0.168 0.124 0.571 0.571 CB 1.015 ? Z: 11 4.899 1.685 0.058 0.421 0.900 0.800 CB 1.048 11 residues pruned to eliminate duplicates 6 1.496 1.301 0.348 0.387 0.800 0.600 CB 0.538 ? Z: 17 7.315 1.691 0.213 0.356 0.812 0.500 CB 1.282 17 residues pruned to eliminate duplicates Z: 21 12.145 1.989 0.486 0.330 0.900 0.600 CA 1.231 29 residues pruned to eliminate duplicates Z: 11 5.716 2.061 0.217 0.425 0.800 0.600 CB 0.974 11 residues pruned to eliminate duplicates Z: 6 3.618 1.411 0.553 0.367 0.800 0.400 O 1.064 Z: 12 7.997 1.795 0.396 0.434 0.909 0.364 CB 1.134 12 residues pruned to eliminate duplicates Z: 16 13.461 1.988 0.347 0.550 0.933 0.800 CB 1.325 16 residues pruned to eliminate duplicates Z: 6 2.189 1.284 0.834 0.339 0.800 0.600 N 0.619 Z: 8 8.790 1.829 0.466 0.339 1.000 0.429 CB 1.478 8 residues pruned to eliminate duplicates Z: 21 9.168 1.960 0.672 0.233 0.750 0.500 CB 1.138 21 residues pruned to eliminate duplicates Z: 26 15.162 1.893 0.405 0.464 1.000 0.800 CA 1.182 26 residues pruned to eliminate duplicates Z: 6 2.045 1.173 0.935 0.254 0.800 0.400 C 0.668 Z: 16 18.208 1.887 0.515 0.848 1.000 0.867 CB 1.220 16 residues pruned to eliminate duplicates Z: 9 8.503 1.662 0.136 0.808 1.000 0.875 CB 1.217 9 residues pruned to eliminate duplicates 8 1.954 1.455 0.687 0.288 0.857 0.429 CB 0.445 ? Z: 8 9.031 1.771 0.516 0.638 1.000 0.714 CA 1.117 8 residues pruned to eliminate duplicates Z: 8 3.506 1.653 0.176 0.204 0.714 0.571 CA 1.355 Z: 7 4.179 1.759 0.157 0.743 0.833 0.500 CB 0.809 7 residues pruned to eliminate duplicates 6 1.944 1.307 0.390 0.337 0.600 0.400 O 0.953 ? Z: 7 2.597 1.416 0.326 0.349 0.833 0.500 CA 0.798 Z: 17 29.020 2.174 0.818 0.875 0.875 0.625 CB 1.526 17 residues pruned to eliminate duplicates Z: 6 2.568 1.245 -0.162 0.686 1.000 0.800 O 0.929 Z: 28 16.285 2.103 0.526 0.413 0.815 0.407 CB 1.312 28 residues pruned to eliminate duplicates Z: 9 9.674 1.742 0.369 0.502 1.000 0.875 C 1.431 9 residues pruned to eliminate duplicates Z: 36 24.190 2.000 0.298 0.674 0.971 0.714 CB 1.381 36 residues pruned to eliminate duplicates Z: 6 4.277 1.411 0.711 0.441 0.800 0.600 CB 1.053 Z: 18 10.276 2.028 0.444 0.347 0.824 0.412 CB 1.220 18 residues pruned to eliminate duplicates Z: 30 25.937 1.975 0.528 0.597 0.966 0.690 CA 1.507 30 residues pruned to eliminate duplicates Z: 6 4.833 1.578 0.256 0.730 1.000 0.800 CB 0.887 Z: 11 6.155 1.624 0.255 0.371 0.800 0.600 CB 1.371 6 residues pruned to eliminate duplicates Z: 16 12.725 1.898 0.627 0.471 0.867 0.533 CA 1.264 16 residues pruned to eliminate duplicates Z: 10 7.797 1.857 0.195 0.517 0.889 0.667 CB 1.296 10 residues pruned to eliminate duplicates Z: 13 9.151 1.752 0.184 0.681 0.917 0.667 CB 1.176 13 residues pruned to eliminate duplicates 6 1.394 1.054 0.128 0.387 0.800 0.800 CB 0.738 ? Z: 15 12.543 1.724 0.481 0.843 0.929 0.714 CA 1.053 15 residues pruned to eliminate duplicates Z: 11 4.514 1.505 0.479 0.424 0.900 0.400 CB 0.771 8 1.955 1.315 0.364 0.128 0.714 0.286 CA 0.919 ? Z: 8 6.065 1.546 0.479 0.486 1.000 0.571 CA 1.017 Z: 25 10.992 1.694 0.525 0.341 0.792 0.458 CA 1.304 25 residues pruned to eliminate duplicates Z: 26 15.236 2.047 0.427 0.349 0.880 0.600 CB 1.396 26 residues pruned to eliminate duplicates Z: 9 3.761 1.540 0.408 0.271 0.875 0.375 CB 0.908 Z: 27 31.764 2.146 0.563 0.681 1.000 0.769 CA 1.572 27 residues pruned to eliminate duplicates Z: 9 8.122 2.008 0.987 0.415 0.875 0.625 CB 0.899 9 residues pruned to eliminate duplicates 7 1.736 1.226 0.396 0.200 0.667 0.167 C 0.888 ? Z: 6 2.065 1.314 -0.053 0.415 0.800 0.600 CB 1.014 Z: 7 5.283 1.337 0.476 0.622 0.833 0.833 C 1.170 8 1.724 1.244 0.332 0.214 0.571 0.286 C 0.964 ? Z: 7 10.681 2.235 0.125 0.818 1.000 1.000 CA 1.315 7 residues pruned to eliminate duplicates Z: 9 8.941 1.870 0.022 0.726 1.000 0.625 N 1.350 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.263 1.600 0.403 0.290 0.800 0.400 O 1.028 6 residues pruned to eliminate duplicates Z: 14 9.264 1.879 0.228 0.431 1.000 0.692 CB 1.196 14 residues pruned to eliminate duplicates Z: 15 7.414 1.878 0.223 0.465 0.929 0.714 CB 0.963 15 residues pruned to eliminate duplicates Z: 14 6.849 1.864 0.166 0.398 0.923 0.769 CB 1.055 14 residues pruned to eliminate duplicates Z: 15 8.492 1.836 0.260 0.465 1.000 0.786 CB 1.017 15 residues pruned to eliminate duplicates Z: 7 6.208 1.713 0.436 0.463 1.000 0.667 CB 1.070 5 residues pruned to eliminate duplicates Z: 9 14.916 1.944 0.543 0.854 1.000 0.625 CA 1.299 9 residues pruned to eliminate duplicates Z: 20 15.745 2.104 0.437 0.472 0.895 0.316 CB 1.374 20 residues pruned to eliminate duplicates Z: 8 2.595 1.442 0.436 0.475 0.571 0.286 CA 0.851 14 residues pruned to eliminate duplicates Z: 8 12.404 2.072 0.325 0.878 1.000 0.571 CB 1.240 10 residues pruned to eliminate duplicates Z: 8 11.832 2.095 0.318 0.884 1.000 0.429 CB 1.170 8 residues pruned to eliminate duplicates Z: 6 4.852 1.924 0.482 0.317 0.800 0.400 CA 1.165 6 residues pruned to eliminate duplicates Z: 9 13.414 2.074 0.432 0.710 1.000 0.750 CA 1.320 9 residues pruned to eliminate duplicates Z: 12 12.937 1.804 0.470 0.687 1.000 0.636 CB 1.238 12 residues pruned to eliminate duplicates Z: 8 3.150 1.389 0.418 0.489 0.714 0.143 CB 0.856 8 residues pruned to eliminate duplicates Z: 10 4.057 1.682 0.335 0.197 0.667 0.444 CB 1.296 9 residues pruned to eliminate duplicates Z: 9 9.277 1.752 0.325 0.728 0.875 0.500 CB 1.315 9 residues pruned to eliminate duplicates Z: 7 10.003 1.999 0.449 0.502 0.833 0.000 C 1.688 7 residues pruned to eliminate duplicates Z: 8 6.298 1.579 0.522 0.473 0.857 0.286 CB 1.188 8 residues pruned to eliminate duplicates Z: 8 9.966 1.874 0.325 0.647 0.857 0.286 CB 1.544 8 residues pruned to eliminate duplicates Z: 8 9.463 2.011 0.027 0.794 0.857 0.286 CB 1.561 9 residues pruned to eliminate duplicates Z: 6 4.772 1.820 0.579 0.255 0.800 0.600 CA 1.229 6 residues pruned to eliminate duplicates Z: 8 6.995 1.754 0.768 0.223 1.000 0.571 CA 1.178 8 residues pruned to eliminate duplicates Z: 7 10.217 2.008 0.953 0.361 0.833 0.667 CA 1.483 8 residues pruned to eliminate duplicates Z: 8 7.505 1.841 0.499 0.338 0.857 0.571 CA 1.431 8 residues pruned to eliminate duplicates Z: 7 9.494 1.855 0.900 0.426 1.000 0.833 CB 1.188 7 residues pruned to eliminate duplicates Z: 9 14.008 2.018 0.461 0.768 1.000 0.500 CA 1.324 9 residues pruned to eliminate duplicates Z: 9 18.798 2.072 0.809 0.775 1.000 0.500 CB 1.391 9 residues pruned to eliminate duplicates Z: 7 5.261 1.433 0.568 0.497 0.833 0.500 C 1.150 7 residues pruned to eliminate duplicates Z: 9 16.730 2.121 0.594 0.796 1.000 0.500 CA 1.349 10 residues pruned to eliminate duplicates Z: 12 8.193 1.570 0.579 0.594 0.727 0.455 O 1.253 10 residues pruned to eliminate duplicates Z: 13 7.882 1.629 0.280 0.572 0.750 0.167 CB 1.358 13 residues pruned to eliminate duplicates Z: 7 4.146 1.856 0.024 0.588 0.667 0.167 CA 1.228 7 residues pruned to eliminate duplicates Z: 10 7.525 1.706 0.283 0.662 0.778 0.333 CB 1.268 10 residues pruned to eliminate duplicates Z: 7 6.602 1.832 0.204 0.581 1.000 0.167 CB 1.131 7 residues pruned to eliminate duplicates Z: 13 7.935 1.566 0.241 0.612 0.833 0.333 O 1.271 13 residues pruned to eliminate duplicates Z: 11 5.309 1.751 0.524 0.210 1.000 0.500 CA 0.887 11 residues pruned to eliminate duplicates Z: 6 3.161 1.746 0.211 0.415 0.800 0.400 CB 0.913 6 residues pruned to eliminate duplicates Z: 11 4.440 1.750 0.418 0.228 1.000 0.500 CA 0.777 11 residues pruned to eliminate duplicates 6 1.999 1.384 0.179 0.456 0.600 0.200 CA 0.955 ? Z: 8 3.318 1.356 0.377 0.487 0.857 0.429 N 0.794 8 residues pruned to eliminate duplicates Z: 28 11.657 1.898 0.264 0.329 0.889 0.481 CA 1.268 26 residues pruned to eliminate duplicates Z: 9 5.427 1.518 0.130 0.483 1.000 0.750 CB 1.138 9 residues pruned to eliminate duplicates Z: 27 14.871 1.972 0.206 0.376 0.923 0.500 CA 1.516 25 residues pruned to eliminate duplicates Z: 22 13.149 1.989 0.231 0.391 0.952 0.667 CA 1.380 22 residues pruned to eliminate duplicates Z: 32 14.789 2.018 0.209 0.374 0.871 0.581 CA 1.431 32 residues pruned to eliminate duplicates Z: 25 13.247 1.924 0.288 0.347 0.917 0.583 CA 1.405 25 residues pruned to eliminate duplicates Z: 41 15.689 1.979 0.183 0.363 0.875 0.550 CA 1.403 43 residues pruned to eliminate duplicates Z: 37 12.739 1.916 0.238 0.299 0.861 0.528 CB 1.301 37 residues pruned to eliminate duplicates Z: 26 13.421 1.956 0.252 0.327 0.960 0.400 CA 1.382 26 residues pruned to eliminate duplicates Z: 25 13.266 2.004 0.237 0.363 0.917 0.708 CB 1.382 25 residues pruned to eliminate duplicates Z: 40 14.179 1.969 0.176 0.358 0.821 0.462 CA 1.392 40 residues pruned to eliminate duplicates Z: 40 14.517 1.974 0.170 0.370 0.897 0.564 CA 1.290 40 residues pruned to eliminate duplicates Z: 30 13.329 1.918 0.374 0.365 0.897 0.621 CA 1.212 30 residues pruned to eliminate duplicates Z: 54 17.976 1.881 0.246 0.351 0.849 0.547 CB 1.459 47 residues pruned to eliminate duplicates Z: 43 16.244 1.939 0.206 0.350 0.929 0.476 CA 1.358 42 residues pruned to eliminate duplicates Z: 6 3.348 1.590 0.517 0.473 1.000 0.400 CB 0.637 6 residues pruned to eliminate duplicates Z: 7 2.799 1.870 0.621 0.367 0.333 0.167 CB 1.305 7 residues pruned to eliminate duplicates Z: 13 4.356 1.668 0.433 0.353 0.750 0.250 CB 0.823 15 residues pruned to eliminate duplicates Z: 6 3.055 1.598 0.220 0.385 0.600 0.600 O 1.320 6 residues pruned to eliminate duplicates Z: 16 9.259 1.812 0.388 0.402 0.867 0.467 CB 1.216 17 residues pruned to eliminate duplicates Z: 6 4.380 1.423 1.145 0.421 0.600 0.400 CA 1.161 5 residues pruned to eliminate duplicates Z: 6 2.241 1.325 0.343 0.288 0.800 0.400 CA 0.894 4 residues pruned to eliminate duplicates Z: 6 8.990 1.989 0.497 0.445 1.000 0.600 CB 1.428 9 residues pruned to eliminate duplicates Z: 6 2.781 1.654 0.199 0.435 0.800 0.600 CB 0.839 6 residues pruned to eliminate duplicates Z: 9 6.454 1.855 0.291 0.440 0.750 0.250 CA 1.352 9 residues pruned to eliminate duplicates Z: 13 6.657 1.785 0.323 0.461 0.833 0.583 CB 1.016 13 residues pruned to eliminate duplicates Z: 11 11.398 1.847 0.478 0.515 1.000 0.700 CB 1.300 11 residues pruned to eliminate duplicates Z: 16 12.944 2.228 0.111 0.436 0.867 0.467 CA 1.664 16 residues pruned to eliminate duplicates Z: 16 17.000 2.142 0.369 0.510 0.933 0.667 CA 1.589 16 residues pruned to eliminate duplicates Z: 16 13.950 2.093 0.337 0.437 0.867 0.467 CA 1.585 16 residues pruned to eliminate duplicates Z: 15 12.536 2.217 0.179 0.438 0.857 0.429 CA 1.595 15 residues pruned to eliminate duplicates Z: 20 11.085 1.876 0.342 0.347 0.895 0.526 CB 1.332 20 residues pruned to eliminate duplicates Z: 13 7.586 2.121 0.145 0.350 0.750 0.417 CB 1.414 13 residues pruned to eliminate duplicates Z: 17 10.573 2.093 0.159 0.351 0.875 0.625 CB 1.463 17 residues pruned to eliminate duplicates Z: 15 11.739 2.159 0.486 0.448 0.786 0.500 CB 1.313 15 residues pruned to eliminate duplicates Z: 15 11.722 2.197 0.159 0.415 0.857 0.429 CB 1.570 15 residues pruned to eliminate duplicates Z: 15 11.896 2.207 0.211 0.418 0.857 0.571 CB 1.512 15 residues pruned to eliminate duplicates Z: 16 10.551 2.149 0.015 0.433 0.867 0.667 CA 1.544 16 residues pruned to eliminate duplicates Z: 15 10.441 2.165 0.211 0.403 0.786 0.429 CB 1.500 15 residues pruned to eliminate duplicates Z: 20 7.967 1.990 0.171 0.323 0.737 0.579 CB 1.294 20 residues pruned to eliminate duplicates Z: 15 9.669 2.189 0.097 0.380 0.786 0.429 CB 1.556 15 residues pruned to eliminate duplicates Z: 20 15.443 2.058 0.545 0.270 0.842 0.474 CA 1.719 20 residues pruned to eliminate duplicates Z: 30 20.276 2.050 0.548 0.346 0.897 0.483 CB 1.565 30 residues pruned to eliminate duplicates Z: 39 14.468 1.868 0.356 0.282 0.895 0.474 CB 1.325 39 residues pruned to eliminate duplicates Z: 28 18.834 2.094 0.425 0.329 0.889 0.519 CA 1.647 28 residues pruned to eliminate duplicates Z: 31 17.892 2.057 0.390 0.355 0.833 0.367 CA 1.603 31 residues pruned to eliminate duplicates Z: 18 10.851 2.091 0.277 0.280 0.765 0.471 CB 1.653 18 residues pruned to eliminate duplicates Z: 29 18.048 2.040 0.430 0.351 0.893 0.429 CB 1.538 29 residues pruned to eliminate duplicates Z: 28 19.779 2.104 0.490 0.348 0.852 0.444 CA 1.680 28 residues pruned to eliminate duplicates Z: 30 17.355 2.059 0.386 0.342 0.897 0.483 CB 1.497 30 residues pruned to eliminate duplicates Z: 28 15.989 2.093 0.385 0.324 0.815 0.556 CB 1.581 28 residues pruned to eliminate duplicates Z: 20 13.045 1.973 0.478 0.331 0.789 0.421 CB 1.564 20 residues pruned to eliminate duplicates Z: 23 12.927 2.036 0.447 0.268 0.773 0.273 CA 1.575 23 residues pruned to eliminate duplicates Z: 29 17.921 2.076 0.465 0.351 0.821 0.500 CB 1.593 29 residues pruned to eliminate duplicates Z: 29 18.639 2.059 0.487 0.356 0.857 0.536 CA 1.567 29 residues pruned to eliminate duplicates Z: 26 15.754 2.067 0.377 0.354 0.840 0.480 CB 1.544 26 residues pruned to eliminate duplicates Z: 29 18.576 2.055 0.485 0.375 0.857 0.464 CB 1.534 29 residues pruned to eliminate duplicates Z: 28 18.838 2.068 0.357 0.384 0.926 0.407 CA 1.578 28 residues pruned to eliminate duplicates Z: 30 21.555 2.068 0.520 0.404 0.897 0.414 CB 1.572 30 residues pruned to eliminate duplicates Z: 23 18.586 1.918 0.649 0.426 0.909 0.545 CA 1.488 23 residues pruned to eliminate duplicates Z: 29 22.018 2.066 0.473 0.420 0.929 0.571 CB 1.601 29 residues pruned to eliminate duplicates Z: 27 18.606 2.110 0.608 0.348 0.846 0.462 CB 1.498 27 residues pruned to eliminate duplicates Z: 12 11.951 1.906 0.449 0.569 1.000 0.545 CA 1.221 12 residues pruned to eliminate duplicates Z: 15 9.746 1.893 0.348 0.440 1.000 0.500 CB 1.086 15 residues pruned to eliminate duplicates Z: 13 9.463 1.724 0.382 0.448 1.000 0.583 CA 1.209 13 residues pruned to eliminate duplicates Z: 13 10.107 1.908 0.417 0.476 1.000 0.500 CB 1.106 13 residues pruned to eliminate duplicates Z: 11 10.307 1.998 0.383 0.499 1.000 0.600 CA 1.181 11 residues pruned to eliminate duplicates Z: 12 7.616 1.829 0.214 0.508 0.909 0.545 CA 1.129 12 residues pruned to eliminate duplicates Z: 19 8.035 1.837 0.198 0.320 0.944 0.500 CA 1.112 19 residues pruned to eliminate duplicates Z: 35 18.317 1.992 0.515 0.359 0.882 0.500 CB 1.373 35 residues pruned to eliminate duplicates Z: 17 7.232 1.850 0.111 0.410 0.812 0.625 CB 1.190 17 residues pruned to eliminate duplicates Z: 29 15.277 1.990 0.470 0.453 0.893 0.464 CB 1.160 29 residues pruned to eliminate duplicates Z: 18 10.592 2.007 0.587 0.388 0.765 0.353 CB 1.188 18 residues pruned to eliminate duplicates Z: 28 12.973 1.947 0.417 0.425 0.889 0.593 CB 1.101 28 residues pruned to eliminate duplicates Z: 26 16.164 2.060 0.573 0.464 0.880 0.600 CB 1.176 26 residues pruned to eliminate duplicates Z: 15 10.059 1.929 0.505 0.498 0.786 0.571 CB 1.181 15 residues pruned to eliminate duplicates Z: 24 15.944 2.023 0.467 0.483 0.913 0.565 CB 1.248 24 residues pruned to eliminate duplicates Z: 18 11.277 2.005 0.427 0.366 0.824 0.471 CB 1.341 18 residues pruned to eliminate duplicates Z: 23 18.442 2.063 0.482 0.525 0.955 0.591 CB 1.314 23 residues pruned to eliminate duplicates Z: 25 15.674 2.037 0.370 0.459 0.917 0.500 CB 1.305 25 residues pruned to eliminate duplicates Z: 23 18.591 2.097 0.376 0.541 0.955 0.636 CA 1.382 23 residues pruned to eliminate duplicates Z: 43 20.436 1.910 0.461 0.414 0.952 0.595 CA 1.297 43 residues pruned to eliminate duplicates Z: 17 12.667 2.046 0.523 0.407 0.875 0.625 CB 1.281 17 residues pruned to eliminate duplicates Z: 27 16.022 1.942 0.471 0.502 0.962 0.500 CB 1.141 27 residues pruned to eliminate duplicates Z: 22 18.227 2.097 0.505 0.507 0.905 0.667 CA 1.383 22 residues pruned to eliminate duplicates Z: 22 18.344 2.065 0.554 0.528 0.905 0.619 CB 1.342 22 residues pruned to eliminate duplicates Z: 25 15.353 2.011 0.540 0.452 0.833 0.583 CB 1.276 25 residues pruned to eliminate duplicates Z: 21 18.582 2.051 0.519 0.585 0.950 0.750 CB 1.293 21 residues pruned to eliminate duplicates Z: 27 10.364 1.880 0.266 0.359 0.808 0.462 CB 1.232 27 residues pruned to eliminate duplicates Z: 23 16.084 2.048 0.544 0.502 0.864 0.500 CB 1.252 23 residues pruned to eliminate duplicates Z: 29 14.207 1.996 0.397 0.453 0.857 0.500 CB 1.179 29 residues pruned to eliminate duplicates Z: 22 16.701 2.082 0.504 0.504 0.857 0.476 CB 1.353 22 residues pruned to eliminate duplicates Z: 12 8.421 1.958 0.341 0.487 0.818 0.545 CA 1.197 12 residues pruned to eliminate duplicates Z: 27 16.234 2.071 0.532 0.480 0.846 0.538 CB 1.210 27 residues pruned to eliminate duplicates Z: 29 18.615 2.056 0.550 0.457 0.893 0.536 CB 1.291 29 residues pruned to eliminate duplicates Z: 12 7.922 1.986 0.520 0.417 0.727 0.545 CA 1.186 12 residues pruned to eliminate duplicates Z: 25 19.192 2.029 0.571 0.467 0.958 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 10 5.979 1.678 0.627 0.336 1.000 0.111 CB 0.873 9 residues pruned to eliminate duplicates Z: 12 6.218 1.521 0.607 0.256 0.818 0.364 C 1.240 12 residues pruned to eliminate duplicates Z: 18 22.351 2.071 0.345 0.908 1.000 0.824 CB 1.383 18 residues pruned to eliminate duplicates Z: 24 25.223 2.108 0.371 0.720 0.957 0.826 CB 1.560 24 residues pruned to eliminate duplicates Z: 27 25.419 2.082 0.418 0.673 0.923 0.731 CB 1.560 27 residues pruned to eliminate duplicates Z: 18 19.346 2.140 0.574 0.559 0.882 0.529 CB 1.490 18 residues pruned to eliminate duplicates Z: 50 26.573 2.110 0.515 0.452 0.857 0.592 CB 1.455 32 residues pruned to eliminate duplicates Z: 17 21.319 2.068 0.440 0.889 0.938 0.750 CB 1.375 17 residues pruned to eliminate duplicates Z: 18 16.282 2.028 0.208 0.880 1.000 0.588 CB 1.169 18 residues pruned to eliminate duplicates Z: 31 25.513 1.969 0.500 0.652 0.967 0.667 CB 1.417 29 residues pruned to eliminate duplicates Z: 17 21.292 2.120 0.464 0.880 0.938 0.688 CB 1.326 17 residues pruned to eliminate duplicates Z: 26 22.664 2.048 0.709 0.608 0.760 0.560 CA 1.539 26 residues pruned to eliminate duplicates Z: 52 29.875 2.148 0.650 0.469 0.863 0.549 CB 1.411 25 residues pruned to eliminate duplicates Z: 18 16.230 2.160 0.368 0.642 0.824 0.706 CB 1.417 18 residues pruned to eliminate duplicates Z: 37 20.808 2.064 0.503 0.477 0.833 0.500 CB 1.373 37 residues pruned to eliminate duplicates Z: 41 22.851 2.191 0.593 0.467 0.775 0.500 CB 1.381 41 residues pruned to eliminate duplicates Z: 31 19.778 2.180 0.445 0.413 0.900 0.533 CB 1.395 31 residues pruned to eliminate duplicates Z: 30 19.384 2.185 0.452 0.381 0.897 0.483 CB 1.436 30 residues pruned to eliminate duplicates Z: 31 19.820 2.174 0.562 0.407 0.833 0.533 CB 1.409 31 residues pruned to eliminate duplicates Z: 54 23.556 2.043 0.476 0.431 0.774 0.509 CB 1.490 54 residues pruned to eliminate duplicates Z: 33 16.500 2.098 0.466 0.366 0.781 0.500 CB 1.401 33 residues pruned to eliminate duplicates Z: 59 30.097 2.089 0.598 0.455 0.845 0.586 CB 1.467 59 residues pruned to eliminate duplicates Z: 36 21.280 2.188 0.523 0.438 0.800 0.457 CB 1.439 23 residues pruned to eliminate duplicates Z: 6 4.230 1.824 0.119 0.297 1.000 0.400 CB 1.163 Z: 23 13.302 2.215 0.578 0.230 0.773 0.409 CB 1.438 29 residues pruned to eliminate duplicates Z: 65 28.858 2.064 0.520 0.453 0.859 0.531 CB 1.403 65 residues pruned to eliminate duplicates Z: 32 16.170 2.167 0.398 0.356 0.806 0.484 CB 1.389 32 residues pruned to eliminate duplicates Z: 58 32.637 2.084 0.609 0.456 0.895 0.614 CB 1.507 58 residues pruned to eliminate duplicates Z: 6 6.079 1.527 0.849 0.393 1.000 0.600 CA 1.079 6 residues pruned to eliminate duplicates Z: 55 30.137 2.121 0.487 0.460 0.907 0.574 CB 1.492 55 residues pruned to eliminate duplicates Z: 28 18.262 2.203 0.561 0.398 0.889 0.556 CB 1.281 28 residues pruned to eliminate duplicates Z: 18 9.443 1.990 0.325 0.434 0.765 0.529 CB 1.217 18 residues pruned to eliminate duplicates Z: 18 15.977 2.202 0.384 0.496 0.882 0.412 CA 1.448 18 residues pruned to eliminate duplicates Z: 47 26.882 2.169 0.547 0.413 0.826 0.630 CB 1.566 47 residues pruned to eliminate duplicates Z: 48 25.320 2.139 0.509 0.389 0.830 0.596 CA 1.551 48 residues pruned to eliminate duplicates Z: 41 20.525 2.079 0.498 0.318 0.825 0.425 CA 1.543 41 residues pruned to eliminate duplicates Z: 21 25.735 2.180 0.477 0.670 0.950 0.850 CA 1.609 21 residues pruned to eliminate duplicates Z: 38 26.227 2.139 0.399 0.501 0.919 0.541 CA 1.567 38 residues pruned to eliminate duplicates Z: 15 10.685 1.832 0.668 0.374 0.786 0.643 CA 1.362 15 residues pruned to eliminate duplicates Z: 24 22.809 2.046 0.408 0.650 0.957 0.826 CA 1.501 24 residues pruned to eliminate duplicates Z: 28 22.465 2.008 0.391 0.656 0.926 0.852 CA 1.446 28 residues pruned to eliminate duplicates Z: 23 19.630 2.132 0.206 0.670 0.955 0.818 CA 1.458 23 residues pruned to eliminate duplicates Z: 23 20.549 2.127 0.329 0.623 0.909 0.636 CA 1.519 23 residues pruned to eliminate duplicates Z: 8 10.243 1.940 1.031 0.319 1.000 0.714 CB 1.200 9 residues pruned to eliminate duplicates Z: 7 7.444 1.807 1.129 0.367 0.667 0.667 CA 1.366 7 residues pruned to eliminate duplicates Z: 11 8.548 1.755 0.803 0.352 0.900 0.400 CB 1.114 11 residues pruned to eliminate duplicates Z: 30 9.989 1.977 0.454 0.204 0.690 0.379 CB 1.329 30 residues pruned to eliminate duplicates Z: 8 6.636 1.922 0.821 0.452 1.000 0.571 CB 0.753 8 residues pruned to eliminate duplicates Z: 10 6.677 2.011 0.427 0.218 0.889 0.333 CB 1.216 10 residues pruned to eliminate duplicates Z: 9 7.912 2.023 0.743 0.218 1.000 0.375 CB 1.105 9 residues pruned to eliminate duplicates Z: 20 8.864 1.880 0.724 0.215 0.842 0.368 CB 1.042 20 residues pruned to eliminate duplicates Z: 21 8.800 1.953 0.523 0.322 0.750 0.450 CB 1.073 21 residues pruned to eliminate duplicates Z: 24 10.623 1.903 0.448 0.340 0.783 0.435 CA 1.223 24 residues pruned to eliminate duplicates Z: 26 11.626 1.913 0.567 0.322 0.760 0.480 CB 1.242 21 residues pruned to eliminate duplicates Z: 30 12.226 1.956 0.457 0.259 0.793 0.414 CB 1.323 30 residues pruned to eliminate duplicates Z: 15 8.951 1.935 0.363 0.394 0.786 0.500 CA 1.290 15 residues pruned to eliminate duplicates Z: 12 10.729 1.986 0.500 0.427 0.818 0.455 CA 1.432 22 residues pruned to eliminate duplicates Z: 13 9.356 1.954 0.548 0.438 0.833 0.583 CA 1.142 13 residues pruned to eliminate duplicates Z: 24 13.904 1.967 0.549 0.433 0.783 0.435 CA 1.303 23 residues pruned to eliminate duplicates Z: 8 4.192 1.628 0.795 0.156 0.714 0.429 CA 1.157 8 residues pruned to eliminate duplicates Z: 19 9.515 1.809 0.572 0.321 0.778 0.444 CB 1.235 19 residues pruned to eliminate duplicates Z: 13 9.839 1.981 0.426 0.393 0.833 0.583 CA 1.352 13 residues pruned to eliminate duplicates Z: 12 8.150 2.011 0.520 0.316 0.818 0.636 CA 1.204 12 residues pruned to eliminate duplicates Z: 22 13.261 1.981 0.467 0.383 0.810 0.524 CA 1.394 22 residues pruned to eliminate duplicates Z: 15 14.036 1.897 0.636 0.432 0.929 0.500 CB 1.396 16 residues pruned to eliminate duplicates Z: 30 34.972 2.129 0.526 0.643 1.000 0.655 CB 1.749 30 residues pruned to eliminate duplicates Z: 29 30.422 2.078 0.842 0.537 0.893 0.643 CA 1.622 29 residues pruned to eliminate duplicates Z: 25 28.476 2.140 0.740 0.571 0.917 0.667 CA 1.591 25 residues pruned to eliminate duplicates Z: 28 28.545 2.157 0.537 0.631 0.926 0.519 CA 1.583 28 residues pruned to eliminate duplicates Z: 27 26.003 2.079 0.603 0.552 0.923 0.692 CB 1.576 27 residues pruned to eliminate duplicates Z: 30 31.423 2.102 0.565 0.610 1.000 0.690 CA 1.598 30 residues pruned to eliminate duplicates Z: 30 26.587 2.116 0.513 0.583 0.931 0.655 CA 1.530 30 residues pruned to eliminate duplicates Z: 29 25.952 2.045 0.573 0.501 0.929 0.607 CA 1.641 29 residues pruned to eliminate duplicates Z: 28 36.394 2.118 0.715 0.706 1.000 0.630 CA 1.598 28 residues pruned to eliminate duplicates Z: 29 24.190 2.059 0.698 0.473 0.893 0.464 CA 1.506 29 residues pruned to eliminate duplicates Z: 30 29.890 2.121 0.509 0.660 0.966 0.759 CA 1.548 30 residues pruned to eliminate duplicates Z: 27 25.523 2.017 0.668 0.562 0.962 0.654 CA 1.456 27 residues pruned to eliminate duplicates Z: 27 28.352 2.085 0.624 0.567 0.962 0.615 CA 1.600 27 residues pruned to eliminate duplicates Z: 28 25.504 2.101 0.590 0.572 0.852 0.556 CA 1.609 28 residues pruned to eliminate duplicates Z: 30 27.152 2.112 0.531 0.593 0.966 0.655 CA 1.478 30 residues pruned to eliminate duplicates Z: 33 26.617 2.055 0.537 0.528 0.969 0.656 CA 1.496 33 residues pruned to eliminate duplicates Z: 26 27.600 2.137 0.616 0.569 0.920 0.600 CA 1.625 26 residues pruned to eliminate duplicates Z: 34 30.606 2.049 0.709 0.583 0.879 0.455 CB 1.600 34 residues pruned to eliminate duplicates Z: 33 28.116 2.043 0.602 0.566 0.906 0.375 CA 1.573 33 residues pruned to eliminate duplicates Z: 29 32.598 2.152 0.569 0.641 0.929 0.643 CA 1.721 29 residues pruned to eliminate duplicates Z: 30 30.914 2.121 0.626 0.599 0.931 0.552 CA 1.627 30 residues pruned to eliminate duplicates Z: 29 33.366 2.171 0.635 0.612 0.964 0.536 CA 1.656 29 residues pruned to eliminate duplicates Z: 33 28.706 2.078 0.635 0.528 0.906 0.594 CA 1.604 33 residues pruned to eliminate duplicates Z: 30 34.603 2.132 0.668 0.649 0.931 0.552 CB 1.689 30 residues pruned to eliminate duplicates Z: 63 39.658 2.152 0.544 0.546 0.919 0.516 CB 1.577 49 residues pruned to eliminate duplicates Z: 14 21.177 2.085 0.537 0.783 1.000 0.615 CB 1.429 14 residues pruned to eliminate duplicates Z: 60 46.987 2.197 0.652 0.574 0.949 0.593 CB 1.653 60 residues pruned to eliminate duplicates Z: 33 28.726 2.224 0.491 0.529 0.969 0.531 CB 1.536 33 residues pruned to eliminate duplicates Z: 45 31.639 2.015 0.551 0.602 0.909 0.455 CA 1.524 45 residues pruned to eliminate duplicates Z: 61 43.730 2.185 0.592 0.569 0.967 0.633 CB 1.571 61 residues pruned to eliminate duplicates Z: 28 23.542 2.100 0.435 0.500 0.963 0.519 CB 1.562 28 residues pruned to eliminate duplicates Z: 13 16.374 2.054 0.246 0.721 1.000 0.833 CA 1.513 13 residues pruned to eliminate duplicates Z: 16 12.278 2.018 0.251 0.620 0.800 0.733 CA 1.402 16 residues pruned to eliminate duplicates Z: 60 41.183 2.199 0.579 0.585 0.881 0.542 CB 1.615 60 residues pruned to eliminate duplicates Z: 60 42.679 2.203 0.567 0.570 0.966 0.559 CB 1.558 60 residues pruned to eliminate duplicates Z: 62 40.415 2.181 0.501 0.566 0.951 0.672 CB 1.559 62 residues pruned to eliminate duplicates Z: 32 28.784 2.219 0.492 0.539 0.968 0.548 CB 1.553 32 residues pruned to eliminate duplicates Z: 37 23.999 2.095 0.574 0.475 0.861 0.500 CB 1.445 37 residues pruned to eliminate duplicates Z: 34 25.593 2.181 0.566 0.484 0.879 0.455 CB 1.509 34 residues pruned to eliminate duplicates Z: 35 26.202 2.154 0.517 0.491 0.941 0.500 CB 1.474 35 residues pruned to eliminate duplicates Z: 31 23.584 2.080 0.486 0.492 0.933 0.433 CB 1.504 31 residues pruned to eliminate duplicates Z: 63 38.548 2.139 0.605 0.515 0.887 0.435 CB 1.583 63 residues pruned to eliminate duplicates Z: 35 24.925 2.178 0.482 0.500 0.912 0.559 CB 1.454 35 residues pruned to eliminate duplicates Z: 54 40.791 2.187 0.648 0.552 0.906 0.415 CB 1.631 54 residues pruned to eliminate duplicates Z: 7 4.526 2.083 0.094 0.313 0.667 0.167 CB 1.498 7 residues pruned to eliminate duplicates Z: 50 35.840 2.177 0.589 0.508 0.918 0.551 CB 1.599 50 residues pruned to eliminate duplicates Z: 60 43.628 2.197 0.583 0.573 0.949 0.627 CB 1.604 60 residues pruned to eliminate duplicates Z: 59 37.092 2.129 0.545 0.520 0.931 0.517 CA 1.559 59 residues pruned to eliminate duplicates Z: 18 17.967 2.291 0.766 0.300 0.941 0.529 CB 1.430 18 residues pruned to eliminate duplicates Z: 55 43.650 2.224 0.654 0.556 0.926 0.574 CB 1.653 55 residues pruned to eliminate duplicates Z: 64 41.852 2.095 0.659 0.515 0.921 0.603 CB 1.624 64 residues pruned to eliminate duplicates Z: 24 16.523 2.146 0.632 0.341 0.826 0.391 CB 1.416 24 residues pruned to eliminate duplicates Z: 36 30.214 2.186 0.572 0.495 0.943 0.543 CB 1.584 36 residues pruned to eliminate duplicates Z: 42 35.645 2.221 0.682 0.495 0.927 0.659 CB 1.615 42 residues pruned to eliminate duplicates Z: 33 21.775 2.158 0.563 0.466 0.844 0.344 CB 1.400 33 residues pruned to eliminate duplicates Z: 59 45.354 2.139 0.727 0.544 0.931 0.552 CB 1.658 24 residues pruned to eliminate duplicates Z: 18 24.470 2.084 0.763 0.872 0.882 0.647 CB 1.334 18 residues pruned to eliminate duplicates Z: 48 37.324 2.053 0.707 0.577 0.936 0.532 CA 1.541 35 residues pruned to eliminate duplicates Z: 16 26.862 2.113 0.796 0.854 0.933 0.467 CB 1.447 16 residues pruned to eliminate duplicates Z: 47 30.540 2.064 0.649 0.544 0.848 0.696 CB 1.495 40 residues pruned to eliminate duplicates Z: 17 26.490 2.128 0.649 0.861 0.938 0.750 CB 1.479 17 residues pruned to eliminate duplicates Z: 49 35.204 2.037 0.712 0.596 0.875 0.583 CB 1.519 49 residues pruned to eliminate duplicates Z: 44 39.778 2.052 0.717 0.715 0.977 0.581 CB 1.451 44 residues pruned to eliminate duplicates Z: 36 30.025 2.065 0.641 0.638 0.914 0.571 CB 1.440 36 residues pruned to eliminate duplicates Z: 61 33.307 2.065 0.542 0.549 0.917 0.583 CA 1.403 61 residues pruned to eliminate duplicates Z: 50 34.116 2.019 0.779 0.545 0.837 0.551 CB 1.551 50 residues pruned to eliminate duplicates Z: 63 36.909 2.042 0.687 0.593 0.871 0.565 CA 1.429 63 residues pruned to eliminate duplicates Z: 35 22.646 1.983 0.576 0.638 0.882 0.471 CB 1.237 35 residues pruned to eliminate duplicates Z: 34 34.753 2.081 0.738 0.673 0.970 0.576 CB 1.471 34 residues pruned to eliminate duplicates Z: 54 40.288 2.019 0.795 0.622 0.943 0.528 CA 1.443 54 residues pruned to eliminate duplicates Z: 47 28.808 2.009 0.704 0.551 0.848 0.500 CA 1.392 39 residues pruned to eliminate duplicates Z: 37 29.965 2.005 0.694 0.646 0.889 0.500 CB 1.443 37 residues pruned to eliminate duplicates Z: 47 34.132 1.994 0.705 0.684 0.913 0.435 CB 1.369 47 residues pruned to eliminate duplicates Z: 32 23.331 1.978 0.818 0.570 0.839 0.548 CB 1.298 32 residues pruned to eliminate duplicates Z: 63 43.187 2.077 0.745 0.590 0.952 0.500 CB 1.459 63 residues pruned to eliminate duplicates Z: 18 12.959 1.909 0.742 0.617 0.765 0.471 CA 1.107 Z: 11 8.759 1.844 0.381 0.828 0.700 0.600 CA 1.170 29 residues pruned to eliminate duplicates Z: 63 42.286 2.057 0.769 0.614 0.887 0.581 CA 1.494 63 residues pruned to eliminate duplicates Z: 26 19.018 2.153 0.669 0.492 0.760 0.480 CA 1.404 26 residues pruned to eliminate duplicates Z: 50 39.528 2.077 0.731 0.676 0.898 0.653 CB 1.487 50 residues pruned to eliminate duplicates Z: 17 15.854 2.019 0.781 0.478 0.812 0.500 CA 1.388 17 residues pruned to eliminate duplicates Z: 65 41.912 2.053 0.767 0.614 0.922 0.531 CB 1.407 65 residues pruned to eliminate duplicates Z: 63 41.837 2.082 0.601 0.630 0.935 0.581 CA 1.508 63 residues pruned to eliminate duplicates Z: 54 41.055 2.072 0.694 0.644 0.943 0.604 CA 1.488 54 residues pruned to eliminate duplicates Z: 15 9.307 1.778 0.351 0.251 0.929 0.429 CA 1.483 15 residues pruned to eliminate duplicates Z: 23 16.469 1.970 0.502 0.575 0.909 0.364 CA 1.214 23 residues pruned to eliminate duplicates Z: 26 20.102 2.116 0.820 0.420 0.880 0.560 CA 1.289 20 residues pruned to eliminate duplicates Z: 59 31.755 2.019 0.705 0.544 0.845 0.552 CA 1.374 26 residues pruned to eliminate duplicates Z: 7 4.112 1.725 0.451 0.174 0.833 0.333 CA 1.193 Z: 48 29.556 1.978 0.644 0.624 0.851 0.511 CA 1.385 48 residues pruned to eliminate duplicates Z: 29 19.830 2.064 0.674 0.454 0.929 0.500 CA 1.224 29 residues pruned to eliminate duplicates Z: 51 34.911 2.059 0.636 0.585 0.880 0.680 CA 1.535 51 residues pruned to eliminate duplicates Z: 26 19.806 2.129 0.796 0.483 0.840 0.600 CA 1.255 26 residues pruned to eliminate duplicates Z: 19 14.690 2.094 0.967 0.423 0.722 0.500 CA 1.261 19 residues pruned to eliminate duplicates Z: 38 31.691 2.067 0.856 0.571 0.892 0.703 CA 1.421 38 residues pruned to eliminate duplicates Z: 22 9.630 1.834 0.728 0.314 0.714 0.381 CA 1.140 22 residues pruned to eliminate duplicates Z: 14 9.186 2.035 0.687 0.381 0.769 0.615 CA 1.096 Z: 6 3.155 1.723 0.448 0.289 0.800 0.600 CA 0.896 6 residues pruned to eliminate duplicates Z: 26 26.025 2.073 0.341 0.747 0.920 0.880 CA 1.632 26 residues pruned to eliminate duplicates Z: 19 19.913 2.131 0.388 0.659 1.000 0.889 CA 1.369 19 residues pruned to eliminate duplicates Z: 60 32.753 2.007 0.711 0.497 0.881 0.593 CA 1.414 74 residues pruned to eliminate duplicates Z: 25 30.269 2.143 0.497 0.760 0.958 0.667 CA 1.596 25 residues pruned to eliminate duplicates Z: 30 22.917 2.103 0.286 0.677 0.897 0.793 CA 1.491 30 residues pruned to eliminate duplicates Z: 36 32.473 2.035 0.636 0.616 0.971 0.686 CA 1.520 36 residues pruned to eliminate duplicates Z: 18 23.587 2.161 0.703 0.607 0.882 0.765 CB 1.592 18 residues pruned to eliminate duplicates Z: 46 29.860 2.078 0.529 0.555 0.933 0.711 CA 1.423 46 residues pruned to eliminate duplicates Z: 55 36.950 2.053 0.576 0.631 0.944 0.500 CA 1.454 55 residues pruned to eliminate duplicates Z: 25 15.611 2.042 0.561 0.536 0.708 0.458 CB 1.363 25 residues pruned to eliminate duplicates Z: 25 29.465 2.161 0.544 0.752 0.917 0.708 CB 1.572 25 residues pruned to eliminate duplicates Z: 25 19.779 2.035 0.506 0.617 0.875 0.542 CB 1.348 25 residues pruned to eliminate duplicates Z: 62 44.799 2.083 0.699 0.607 0.984 0.574 CA 1.489 68 residues pruned to eliminate duplicates Z: 6 4.023 1.547 0.424 0.468 1.000 1.000 CA 0.843 6 residues pruned to eliminate duplicates Z: 18 12.374 1.900 0.654 0.382 0.824 0.471 CB 1.314 18 residues pruned to eliminate duplicates Z: 26 14.893 1.852 0.589 0.452 0.840 0.560 CB 1.266 26 residues pruned to eliminate duplicates Z: 18 15.056 1.890 0.606 0.441 0.941 0.529 CB 1.358 18 residues pruned to eliminate duplicates Z: 26 17.013 1.893 0.496 0.457 0.880 0.520 CB 1.427 26 residues pruned to eliminate duplicates Z: 6 2.858 1.423 0.424 0.284 0.800 0.200 C 1.005 6 residues pruned to eliminate duplicates Z: 15 8.433 1.840 0.594 0.360 0.714 0.500 CB 1.251 15 residues pruned to eliminate duplicates Z: 26 15.414 1.874 0.558 0.396 0.840 0.520 CB 1.403 26 residues pruned to eliminate duplicates Z: 26 11.495 1.775 0.375 0.422 0.760 0.560 CB 1.344 26 residues pruned to eliminate duplicates Z: 8 8.012 1.942 0.362 0.607 0.857 0.571 CA 1.207 8 residues pruned to eliminate duplicates Z: 7 10.327 1.995 0.445 0.745 0.833 0.667 CA 1.410 7 residues pruned to eliminate duplicates Z: 30 15.434 1.971 0.364 0.413 0.862 0.483 CB 1.354 30 residues pruned to eliminate duplicates Z: 30 14.342 1.976 0.275 0.407 0.828 0.552 CB 1.408 30 residues pruned to eliminate duplicates Z: 8 8.673 1.893 0.321 0.616 1.000 1.000 CA 1.174 8 residues pruned to eliminate duplicates Z: 37 16.686 1.966 0.519 0.363 0.806 0.444 CB 1.340 37 residues pruned to eliminate duplicates Z: 29 16.923 1.932 0.388 0.455 0.929 0.571 CB 1.345 29 residues pruned to eliminate duplicates Z: 23 14.207 1.984 0.496 0.370 0.864 0.455 CB 1.357 23 residues pruned to eliminate duplicates Z: 27 15.278 1.923 0.456 0.354 0.846 0.500 CB 1.480 27 residues pruned to eliminate duplicates Z: 24 14.494 1.964 0.427 0.392 0.870 0.565 CA 1.390 24 residues pruned to eliminate duplicates Z: 24 14.187 1.961 0.444 0.381 0.870 0.348 CA 1.363 24 residues pruned to eliminate duplicates Z: 20 15.159 1.919 0.610 0.462 0.895 0.632 CA 1.308 20 residues pruned to eliminate duplicates Z: 30 16.467 2.008 0.314 0.406 0.862 0.621 CA 1.484 30 residues pruned to eliminate duplicates Z: 38 18.795 1.938 0.315 0.456 0.919 0.541 CA 1.380 38 residues pruned to eliminate duplicates Z: 34 16.084 1.949 0.369 0.376 0.939 0.394 CA 1.275 34 residues pruned to eliminate duplicates Z: 44 20.493 1.937 0.331 0.484 0.930 0.605 CA 1.324 44 residues pruned to eliminate duplicates Z: 24 12.445 1.948 0.336 0.360 0.826 0.435 CA 1.404 24 residues pruned to eliminate duplicates Z: 25 11.605 1.915 0.429 0.354 0.750 0.542 CA 1.352 25 residues pruned to eliminate duplicates Z: 30 10.828 1.849 0.357 0.353 0.793 0.517 CA 1.185 30 residues pruned to eliminate duplicates Z: 28 16.434 1.986 0.359 0.416 0.889 0.481 CA 1.440 28 residues pruned to eliminate duplicates Z: 19 9.280 1.864 0.169 0.366 0.833 0.556 CA 1.391 19 residues pruned to eliminate duplicates Z: 25 13.990 1.933 0.358 0.391 0.917 0.542 CA 1.332 25 residues pruned to eliminate duplicates Z: 23 12.816 1.954 0.449 0.378 0.818 0.409 CA 1.343 23 residues pruned to eliminate duplicates Z: 31 16.412 1.959 0.323 0.444 0.933 0.600 CB 1.312 31 residues pruned to eliminate duplicates Z: 45 20.386 1.944 0.334 0.480 0.909 0.568 CA 1.330 46 residues pruned to eliminate duplicates Z: 9 8.977 2.025 0.184 0.664 0.875 0.625 CA 1.300 9 residues pruned to eliminate duplicates Z: 39 15.233 1.980 0.279 0.383 0.842 0.500 CA 1.312 39 residues pruned to eliminate duplicates Z: 11 8.156 1.977 0.263 0.560 0.800 0.500 CA 1.218 11 residues pruned to eliminate duplicates Z: 10 11.251 2.064 0.480 0.604 0.889 0.333 CA 1.251 10 residues pruned to eliminate duplicates Z: 9 8.440 1.954 0.182 0.724 0.875 0.625 CA 1.206 9 residues pruned to eliminate duplicates Z: 11 10.060 1.718 0.317 0.835 1.000 0.800 CA 1.054 11 residues pruned to eliminate duplicates Z: 12 12.574 1.796 0.359 0.805 1.000 0.545 CA 1.190 12 residues pruned to eliminate duplicates Z: 12 10.556 1.842 0.312 0.693 0.818 0.455 CB 1.350 11 residues pruned to eliminate duplicates Z: 9 5.675 1.797 0.114 0.616 0.750 0.125 CA 1.198 9 residues pruned to eliminate duplicates Z: 24 14.507 1.908 0.451 0.600 0.696 0.304 CB 1.428 33 residues pruned to eliminate duplicates Z: 12 18.654 1.944 0.912 0.686 0.909 0.364 CB 1.403 12 residues pruned to eliminate duplicates Z: 21 15.934 1.930 0.809 0.519 0.750 0.450 CA 1.335 21 residues pruned to eliminate duplicates Z: 50 29.628 2.014 0.462 0.541 0.939 0.490 CA 1.471 50 residues pruned to eliminate duplicates Z: 15 15.864 1.933 0.936 0.609 0.714 0.286 CA 1.430 15 residues pruned to eliminate duplicates Z: 40 27.710 2.090 0.678 0.470 0.872 0.333 CA 1.497 40 residues pruned to eliminate duplicates Z: 38 24.963 2.034 0.596 0.480 0.838 0.405 CA 1.540 38 residues pruned to eliminate duplicates Z: 22 24.704 2.020 0.749 0.687 0.857 0.429 CA 1.500 22 residues pruned to eliminate duplicates Z: 24 25.040 2.003 0.791 0.621 0.870 0.348 CA 1.492 24 residues pruned to eliminate duplicates Z: 38 27.056 2.093 0.569 0.501 0.865 0.459 CA 1.564 38 residues pruned to eliminate duplicates Z: 38 25.627 1.971 0.571 0.559 0.919 0.405 CA 1.398 38 residues pruned to eliminate duplicates Z: 36 24.244 2.084 0.561 0.470 0.857 0.400 CA 1.516 36 residues pruned to eliminate duplicates Z: 35 26.812 2.139 0.540 0.552 0.853 0.588 CA 1.556 35 residues pruned to eliminate duplicates Z: 45 21.230 2.016 0.465 0.421 0.795 0.409 CA 1.479 45 residues pruned to eliminate duplicates Z: 38 24.740 2.101 0.656 0.502 0.757 0.378 CB 1.543 38 residues pruned to eliminate duplicates Z: 28 21.389 2.012 0.587 0.529 0.852 0.444 CA 1.471 28 residues pruned to eliminate duplicates Z: 45 25.656 2.017 0.558 0.448 0.864 0.364 CA 1.503 45 residues pruned to eliminate duplicates Z: 39 27.273 2.076 0.487 0.566 0.868 0.526 CA 1.547 39 residues pruned to eliminate duplicates Z: 35 28.502 2.103 0.569 0.483 0.941 0.471 CA 1.602 35 residues pruned to eliminate duplicates Z: 31 29.085 2.112 0.623 0.531 0.933 0.500 CA 1.609 31 residues pruned to eliminate duplicates Z: 46 29.112 1.985 0.644 0.500 0.889 0.400 CA 1.496 46 residues pruned to eliminate duplicates Z: 43 25.971 2.013 0.541 0.534 0.833 0.381 CA 1.500 43 residues pruned to eliminate duplicates Z: 40 29.077 2.058 0.641 0.477 0.872 0.487 CA 1.619 40 residues pruned to eliminate duplicates Z: 52 29.190 2.015 0.479 0.553 0.882 0.510 CA 1.476 52 residues pruned to eliminate duplicates Z: 19 14.424 2.114 0.371 0.439 0.778 0.444 CA 1.605 19 residues pruned to eliminate duplicates Z: 23 17.353 2.029 0.338 0.507 0.909 0.500 CA 1.489 23 residues pruned to eliminate duplicates Z: 19 12.659 2.079 0.373 0.403 0.778 0.500 CA 1.489 19 residues pruned to eliminate duplicates Z: 42 28.230 2.002 0.773 0.463 0.878 0.463 CA 1.469 42 residues pruned to eliminate duplicates Z: 38 25.162 2.075 0.593 0.476 0.865 0.351 CA 1.483 38 residues pruned to eliminate duplicates Z: 51 30.399 2.066 0.484 0.540 0.860 0.400 CA 1.568 51 residues pruned to eliminate duplicates Z: 17 13.086 2.080 0.484 0.366 0.812 0.688 CA 1.505 17 residues pruned to eliminate duplicates Z: 35 25.138 2.128 0.557 0.498 0.882 0.353 CA 1.477 35 residues pruned to eliminate duplicates Z: 44 29.507 2.073 0.619 0.488 0.884 0.395 CA 1.535 44 residues pruned to eliminate duplicates Z: 18 15.486 2.128 0.513 0.384 0.882 0.471 CA 1.495 18 residues pruned to eliminate duplicates Z: 22 17.249 2.011 0.529 0.498 0.810 0.571 CA 1.515 22 residues pruned to eliminate duplicates Z: 36 28.323 2.116 0.622 0.523 0.857 0.457 CA 1.591 36 residues pruned to eliminate duplicates Z: 20 17.347 2.117 0.440 0.486 0.842 0.579 CB 1.573 20 residues pruned to eliminate duplicates Z: 44 29.259 1.995 0.694 0.493 0.860 0.488 CA 1.545 44 residues pruned to eliminate duplicates Z: 46 26.558 2.042 0.697 0.493 0.778 0.489 CA 1.479 46 residues pruned to eliminate duplicates Z: 9 4.919 1.284 0.372 0.505 1.000 0.375 C 0.982 9 residues pruned to eliminate duplicates Z: 18 17.069 1.990 0.407 0.491 0.941 0.529 CB 1.585 19 residues pruned to eliminate duplicates Z: 7 8.295 1.826 0.903 0.432 1.000 0.667 CA 1.046 7 residues pruned to eliminate duplicates Z: 18 18.181 1.979 0.469 0.484 0.941 0.588 N 1.638 19 residues pruned to eliminate duplicates Z: 6 8.195 1.949 0.626 0.470 1.000 0.800 CA 1.192 6 residues pruned to eliminate duplicates Z: 17 20.222 2.014 0.500 0.524 1.000 0.750 CB 1.634 17 residues pruned to eliminate duplicates Z: 23 13.974 1.882 0.264 0.437 0.864 0.455 CA 1.548 23 residues pruned to eliminate duplicates Z: 17 21.620 2.036 0.554 0.515 1.000 0.562 CA 1.683 17 residues pruned to eliminate duplicates Z: 6 4.809 1.667 0.020 0.408 1.000 0.600 CA 1.392 6 residues pruned to eliminate duplicates Z: 17 16.943 2.020 0.458 0.497 0.938 0.500 CB 1.539 17 residues pruned to eliminate duplicates Z: 16 19.982 2.051 0.586 0.489 1.000 0.600 CB 1.603 16 residues pruned to eliminate duplicates Z: 21 16.043 1.948 0.384 0.415 0.900 0.600 CB 1.616 21 residues pruned to eliminate duplicates Z: 22 18.658 1.927 0.486 0.423 0.952 0.571 CB 1.618 17 residues pruned to eliminate duplicates Z: 6 9.562 1.933 1.144 0.362 0.800 0.400 CA 1.497 8 residues pruned to eliminate duplicates Z: 6 6.582 2.177 0.011 0.438 0.800 0.200 CA 1.782 6 residues pruned to eliminate duplicates Z: 37 19.071 1.998 0.424 0.413 0.833 0.583 CA 1.469 36 residues pruned to eliminate duplicates Z: 7 7.647 2.102 0.191 0.535 0.833 0.500 CA 1.447 7 residues pruned to eliminate duplicates Z: 26 12.946 1.970 0.428 0.345 0.840 0.480 CA 1.296 26 residues pruned to eliminate duplicates Z: 14 9.482 1.988 0.369 0.385 0.846 0.538 CA 1.290 14 residues pruned to eliminate duplicates Z: 23 13.692 1.995 0.529 0.420 0.864 0.682 CA 1.204 23 residues pruned to eliminate duplicates Z: 25 12.499 2.016 0.314 0.379 0.792 0.500 CA 1.383 25 residues pruned to eliminate duplicates Z: 24 14.561 2.033 0.416 0.395 0.826 0.565 CA 1.426 26 residues pruned to eliminate duplicates Z: 6 2.832 1.278 0.746 0.356 0.800 0.600 C 0.828 6 residues pruned to eliminate duplicates Z: 25 13.746 1.996 0.454 0.373 0.833 0.625 CA 1.328 25 residues pruned to eliminate duplicates Z: 23 15.684 2.082 0.379 0.436 0.909 0.682 CA 1.369 22 residues pruned to eliminate duplicates Z: 6 3.808 1.499 0.721 0.251 0.800 0.400 O 1.099 6 residues pruned to eliminate duplicates Z: 36 19.291 2.043 0.451 0.437 0.771 0.629 CA 1.523 36 residues pruned to eliminate duplicates 590 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 13 D: 8 E: 11 F: 8 G: 7 H: 6 I: 8 J: 10 K: 9 L: 10 M: 69 N: 7 O: 46 P: 7 Q: 29 R: 57 S: 53 T: 62 U: 97 V: 22 W: 37 CC for partial structure against native data = 21.17 % ------------------------------------------------------------------------------ Global autotracing cycle 26 = 0.300, Contrast = 0.400, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.461, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.535, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.543, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.551, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.555, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.560, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.562, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.564, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6815 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1241 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 22.761 1.941 1.043 0.885 0.800 0.500 CA 1.639 B: 10 20.835 1.963 0.817 0.928 1.000 1.000 CB 1.364 10 residues pruned to eliminate duplicates C: 16 31.713 2.178 0.718 0.832 1.000 0.867 CB 1.643 D: 12 8.554 1.980 0.001 0.558 0.909 0.545 CB 1.353 E: 11 12.547 2.021 0.378 0.642 0.900 0.800 CA 1.386 12 residues pruned to eliminate duplicates F: 11 15.745 1.905 0.855 0.840 0.800 0.700 CA 1.315 11 residues pruned to eliminate duplicates G: 17 27.960 2.140 0.548 0.899 1.000 0.938 CB 1.508 16 residues pruned to eliminate duplicates H: 11 29.729 2.223 0.936 0.853 0.900 0.600 CB 1.795 11 residues pruned to eliminate duplicates I: 15 24.276 2.176 0.370 0.886 1.000 0.857 CA 1.571 15 residues pruned to eliminate duplicates J: 22 15.461 2.177 0.783 0.270 0.714 0.381 CA 1.579 K: 12 12.194 1.938 0.301 0.619 1.000 0.545 CB 1.303 11 residues pruned to eliminate duplicates L: 13 20.990 2.046 0.780 0.877 0.833 0.833 CA 1.450 13 residues pruned to eliminate duplicates M: 16 9.553 2.095 0.112 0.403 0.733 0.400 CB 1.601 N: 15 24.417 2.088 0.518 0.876 1.000 0.786 CA 1.496 14 residues pruned to eliminate duplicates O: 8 2.303 1.482 0.103 0.335 0.571 0.429 CB 1.116 P: 9 15.090 1.780 0.578 0.743 1.000 0.625 CB 1.528 Q: 19 21.335 1.976 0.506 0.911 1.000 0.833 CB 1.198 R: 16 5.676 2.076 -0.036 0.406 0.533 0.400 CA 1.517 15 residues pruned to eliminate duplicates S: 19 13.306 1.923 0.433 0.481 0.944 0.611 CB 1.229 T: 18 16.900 1.989 0.417 0.920 0.882 0.765 CB 1.161 18 residues pruned to eliminate duplicates U: 15 10.372 2.150 0.006 0.506 0.857 0.500 CB 1.486 15 residues pruned to eliminate duplicates V: 8 8.838 1.829 0.560 0.757 0.857 0.571 CA 1.086 W: 6 2.768 1.882 0.065 0.478 0.600 0.400 CB 1.052 8 residues pruned to eliminate duplicates X: 16 15.840 1.849 0.263 0.871 0.933 0.667 CA 1.368 Y: 11 16.685 2.058 0.358 0.830 1.000 0.600 CB 1.420 Z: 19 19.153 2.027 0.356 0.873 0.833 0.722 CB 1.435 Z: 18 8.425 1.968 0.052 0.469 0.824 0.353 CB 1.238 18 residues pruned to eliminate duplicates Z: 18 19.518 1.934 0.493 0.895 0.941 0.882 CB 1.248 14 residues pruned to eliminate duplicates Z: 17 11.511 1.957 0.416 0.398 0.812 0.500 CA 1.424 Z: 13 11.064 2.156 0.231 0.499 0.750 0.667 CA 1.607 15 residues pruned to eliminate duplicates Z: 23 9.934 1.667 0.366 0.387 0.909 0.364 CA 1.154 11 residues pruned to eliminate duplicates Z: 8 10.298 1.842 0.206 0.810 0.857 0.714 CB 1.560 8 residues pruned to eliminate duplicates Z: 32 21.167 2.008 0.630 0.578 0.806 0.581 CA 1.336 Z: 6 3.897 1.694 0.359 0.704 0.800 0.600 CB 0.786 6 residues pruned to eliminate duplicates Z: 8 14.980 2.102 0.547 0.719 1.000 0.857 CA 1.429 Z: 11 10.188 1.988 0.275 0.510 1.000 0.600 CB 1.258 Z: 11 17.647 1.995 0.528 0.863 0.900 0.700 CA 1.492 11 residues pruned to eliminate duplicates Z: 16 4.824 1.664 0.336 0.159 0.800 0.400 CB 1.064 Z: 7 7.497 2.084 -0.116 0.725 0.833 0.333 CB 1.629 7 residues pruned to eliminate duplicates Z: 10 8.815 1.856 -0.021 0.833 1.000 0.778 CA 1.214 8 residues pruned to eliminate duplicates Z: 16 9.087 2.122 0.133 0.445 0.800 0.600 CB 1.292 14 residues pruned to eliminate duplicates Z: 17 23.352 2.007 0.390 0.927 1.000 1.000 CB 1.466 19 residues pruned to eliminate duplicates Z: 25 15.882 1.898 0.793 0.466 0.792 0.500 CA 1.246 21 residues pruned to eliminate duplicates Z: 12 8.142 1.816 0.463 0.515 0.909 0.636 CB 1.001 Z: 17 16.814 1.888 0.873 0.650 0.875 0.438 CA 1.181 17 residues pruned to eliminate duplicates Z: 9 15.429 2.228 0.142 0.855 1.000 0.875 CB 1.583 10 residues pruned to eliminate duplicates Z: 9 9.291 1.715 0.195 0.744 0.875 0.750 CA 1.472 9 residues pruned to eliminate duplicates Z: 15 40.488 2.236 0.837 0.932 1.000 0.714 CB 1.839 16 residues pruned to eliminate duplicates Z: 12 8.144 2.186 0.179 0.456 0.727 0.545 CB 1.369 12 residues pruned to eliminate duplicates Z: 18 16.987 1.972 0.266 0.890 1.000 0.765 CB 1.188 18 residues pruned to eliminate duplicates Z: 12 7.377 1.714 0.413 0.490 0.818 0.545 CA 1.133 12 residues pruned to eliminate duplicates Z: 8 6.336 1.985 0.311 0.447 0.714 0.429 CB 1.359 Z: 19 19.014 2.019 0.259 0.861 0.889 0.722 CB 1.458 17 residues pruned to eliminate duplicates Z: 31 17.179 1.961 0.383 0.390 0.867 0.600 CA 1.499 27 residues pruned to eliminate duplicates Z: 10 9.056 1.659 0.268 0.725 0.889 0.556 CA 1.318 10 residues pruned to eliminate duplicates Z: 9 17.195 2.118 0.777 0.825 1.000 0.750 CB 1.219 8 residues pruned to eliminate duplicates Z: 12 13.972 1.989 0.140 0.856 0.909 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 30 24.142 2.111 0.690 0.525 0.793 0.448 CA 1.545 10 residues pruned to eliminate duplicates Z: 12 8.921 1.921 0.050 0.511 1.000 0.909 CB 1.319 Z: 10 11.766 1.801 0.551 0.831 0.889 0.444 CA 1.187 10 residues pruned to eliminate duplicates Z: 17 22.490 2.095 0.391 0.873 0.875 0.812 CB 1.606 18 residues pruned to eliminate duplicates Z: 16 6.726 1.873 0.060 0.430 0.933 0.533 CB 1.008 16 residues pruned to eliminate duplicates Z: 11 11.395 1.983 0.522 0.474 0.900 0.600 CB 1.362 Z: 59 32.949 2.041 0.520 0.583 0.897 0.586 CA 1.437 33 residues pruned to eliminate duplicates Z: 22 16.245 1.941 0.394 0.399 0.952 0.429 CB 1.531 Z: 21 11.711 1.949 0.617 0.375 0.700 0.450 CA 1.357 14 residues pruned to eliminate duplicates Z: 10 2.942 1.653 0.166 0.218 0.667 0.444 CB 1.062 Z: 11 13.599 1.857 0.272 0.880 1.000 0.900 CA 1.320 9 residues pruned to eliminate duplicates Z: 6 3.605 1.619 -0.180 0.766 0.800 0.600 CA 1.199 6 residues pruned to eliminate duplicates Z: 12 7.156 1.894 0.373 0.386 0.727 0.364 CB 1.288 Z: 23 13.796 2.014 0.224 0.374 0.864 0.682 CB 1.581 Z: 8 6.034 1.757 0.724 0.482 0.714 0.429 CB 1.074 Z: 10 15.925 1.822 0.625 0.845 1.000 0.556 CB 1.332 Z: 20 16.419 1.813 0.459 0.874 0.895 0.632 CB 1.158 20 residues pruned to eliminate duplicates Z: 16 11.587 1.884 0.617 0.447 0.800 0.667 CB 1.296 Z: 24 12.626 2.014 0.209 0.332 0.913 0.435 CA 1.423 Z: 59 27.428 2.074 0.481 0.438 0.845 0.448 CB 1.479 51 residues pruned to eliminate duplicates 8 1.932 1.681 -0.166 0.325 0.714 0.286 CB 0.884 ? Z: 7 12.393 1.808 0.969 0.717 1.000 0.833 CB 1.168 8 residues pruned to eliminate duplicates Z: 9 12.459 2.153 0.277 0.716 0.875 0.875 CA 1.505 9 residues pruned to eliminate duplicates Z: 11 20.481 2.150 0.427 0.900 1.000 0.800 CB 1.507 11 residues pruned to eliminate duplicates Z: 13 10.697 2.011 0.182 0.540 1.000 0.917 CB 1.248 12 residues pruned to eliminate duplicates Z: 11 17.557 1.917 0.627 0.880 0.900 0.800 CA 1.433 11 residues pruned to eliminate duplicates Z: 31 13.737 2.000 0.528 0.285 0.833 0.500 CB 1.254 Z: 13 5.229 1.680 0.422 0.297 0.750 0.417 N 1.057 13 residues pruned to eliminate duplicates Z: 21 11.382 2.089 0.838 0.246 0.800 0.450 CB 1.110 27 residues pruned to eliminate duplicates Z: 22 13.563 1.959 0.452 0.372 0.857 0.476 CA 1.393 23 residues pruned to eliminate duplicates Z: 7 11.532 2.016 0.565 0.625 0.833 0.833 CA 1.591 7 residues pruned to eliminate duplicates Z: 10 5.956 1.841 -0.025 0.549 0.889 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 14 17.650 1.884 0.460 0.815 0.923 0.385 C 1.466 14 residues pruned to eliminate duplicates Z: 27 22.459 2.062 0.392 0.624 0.962 0.692 CB 1.419 28 residues pruned to eliminate duplicates Z: 18 10.445 1.934 0.098 0.394 0.882 0.412 CB 1.512 19 residues pruned to eliminate duplicates Z: 13 7.612 1.826 0.310 0.450 0.750 0.333 CB 1.289 Z: 12 9.048 1.807 0.515 0.524 0.909 0.727 CA 1.071 12 residues pruned to eliminate duplicates Z: 12 17.831 1.950 0.428 0.892 1.000 0.636 CB 1.387 10 residues pruned to eliminate duplicates Z: 10 7.125 1.541 0.277 0.856 0.889 0.778 CB 1.002 10 residues pruned to eliminate duplicates Z: 11 10.044 1.827 0.452 0.605 1.000 0.500 CB 1.084 Z: 9 7.162 1.671 0.449 0.842 0.875 0.625 CA 0.890 8 residues pruned to eliminate duplicates Z: 14 9.596 1.922 0.566 0.431 0.923 0.308 CB 1.028 14 residues pruned to eliminate duplicates Z: 20 19.061 1.946 0.445 0.843 0.842 0.737 CB 1.375 20 residues pruned to eliminate duplicates Z: 13 22.870 1.935 0.727 0.875 1.000 0.500 CA 1.437 13 residues pruned to eliminate duplicates Z: 16 22.144 2.121 0.426 0.927 1.000 0.867 CA 1.324 16 residues pruned to eliminate duplicates Z: 19 23.271 2.047 0.491 0.898 0.944 0.611 CB 1.361 19 residues pruned to eliminate duplicates Z: 34 24.677 2.070 0.607 0.475 0.848 0.485 CA 1.561 35 residues pruned to eliminate duplicates Z: 32 14.840 1.923 0.411 0.329 0.903 0.581 CB 1.311 21 residues pruned to eliminate duplicates Z: 8 4.039 1.627 -0.192 0.417 1.000 0.714 CB 1.266 Z: 73 32.063 2.073 0.622 0.426 0.819 0.542 CB 1.480 73 residues pruned to eliminate duplicates Z: 10 10.633 1.930 0.634 0.440 0.889 0.556 CA 1.346 10 residues pruned to eliminate duplicates Z: 56 29.720 2.137 0.537 0.434 0.855 0.655 CB 1.529 56 residues pruned to eliminate duplicates Z: 16 14.789 2.017 0.454 0.743 0.933 0.467 CA 1.122 16 residues pruned to eliminate duplicates Z: 7 7.748 1.685 0.148 0.875 0.833 0.667 N 1.427 Z: 11 20.668 1.998 0.554 0.845 1.000 0.700 CA 1.564 11 residues pruned to eliminate duplicates Z: 49 31.123 2.040 0.562 0.532 0.875 0.562 CA 1.560 56 residues pruned to eliminate duplicates Z: 14 17.219 2.145 0.432 0.895 0.923 0.692 CB 1.207 14 residues pruned to eliminate duplicates Z: 15 9.045 1.739 0.431 0.482 0.857 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 22 15.559 2.056 0.353 0.427 0.905 0.571 CA 1.456 8 residues pruned to eliminate duplicates Z: 7 13.838 2.011 0.668 0.847 0.833 0.833 CA 1.500 7 residues pruned to eliminate duplicates Z: 17 16.517 2.094 0.235 0.616 1.000 0.750 CB 1.431 17 residues pruned to eliminate duplicates Z: 10 7.375 1.605 0.456 0.789 0.889 0.556 CA 0.918 10 residues pruned to eliminate duplicates Z: 9 7.239 1.852 -0.009 0.833 0.875 0.750 CA 1.196 9 residues pruned to eliminate duplicates Z: 19 27.189 2.083 0.607 0.908 0.944 0.667 CB 1.439 19 residues pruned to eliminate duplicates Z: 7 8.567 1.829 0.264 0.788 0.833 0.500 CB 1.409 7 residues pruned to eliminate duplicates Z: 9 9.011 1.854 0.026 0.859 1.000 0.875 CB 1.233 9 residues pruned to eliminate duplicates Z: 36 22.337 2.007 0.595 0.461 0.771 0.343 CA 1.591 36 residues pruned to eliminate duplicates Z: 18 32.971 2.110 0.748 0.853 1.000 0.706 CB 1.603 22 residues pruned to eliminate duplicates Z: 14 11.520 1.780 0.257 0.868 0.923 0.846 CB 1.131 14 residues pruned to eliminate duplicates Z: 11 10.853 1.857 0.532 0.683 1.000 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 23 13.245 1.905 0.391 0.371 0.909 0.500 CA 1.346 23 residues pruned to eliminate duplicates Z: 14 8.718 1.872 0.236 0.535 0.846 0.538 CB 1.193 14 residues pruned to eliminate duplicates Z: 10 10.960 2.074 0.329 0.612 0.889 0.444 CB 1.341 10 residues pruned to eliminate duplicates Z: 6 5.195 1.902 0.101 0.642 0.800 0.600 CB 1.215 Z: 6 5.344 1.512 0.813 0.645 1.000 0.600 CB 0.762 5 residues pruned to eliminate duplicates Z: 19 19.644 1.994 0.277 0.895 1.000 0.833 CB 1.303 19 residues pruned to eliminate duplicates Z: 16 9.335 1.844 0.471 0.331 0.800 0.333 CB 1.336 8 residues pruned to eliminate duplicates Z: 12 12.193 2.020 0.339 0.399 0.909 0.636 CA 1.663 12 residues pruned to eliminate duplicates Z: 9 6.415 1.612 0.311 0.384 1.000 0.375 CB 1.214 9 residues pruned to eliminate duplicates Z: 13 12.268 2.062 0.365 0.594 0.750 0.500 CA 1.534 13 residues pruned to eliminate duplicates Z: 12 9.148 1.672 0.783 0.311 0.818 0.455 CB 1.395 12 residues pruned to eliminate duplicates Z: 19 24.354 2.072 0.447 0.904 0.889 0.556 CB 1.534 19 residues pruned to eliminate duplicates Z: 20 19.092 2.137 0.825 0.488 0.895 0.474 CA 1.271 25 residues pruned to eliminate duplicates Z: 8 5.787 1.713 0.094 0.540 1.000 0.857 CA 1.123 8 residues pruned to eliminate duplicates Z: 13 8.476 1.966 0.217 0.477 0.917 0.750 CB 1.143 13 residues pruned to eliminate duplicates Z: 50 31.095 2.009 0.576 0.540 0.878 0.469 CA 1.536 54 residues pruned to eliminate duplicates Z: 10 2.894 1.483 0.380 0.379 0.667 0.333 CB 0.804 Z: 17 32.182 2.078 0.877 0.886 0.938 0.500 CB 1.588 18 residues pruned to eliminate duplicates Z: 40 23.019 2.057 0.486 0.455 0.872 0.615 CB 1.448 40 residues pruned to eliminate duplicates Z: 12 26.586 2.123 0.850 0.910 0.909 0.545 CA 1.592 12 residues pruned to eliminate duplicates Z: 8 5.917 1.704 0.428 0.300 0.857 0.571 N 1.341 Z: 18 17.979 2.006 0.216 0.906 1.000 0.882 CB 1.271 18 residues pruned to eliminate duplicates Z: 11 10.050 1.941 0.321 0.559 1.000 0.700 CB 1.170 Z: 11 10.634 1.880 0.293 0.654 0.900 0.700 CB 1.332 11 residues pruned to eliminate duplicates Z: 36 14.462 1.927 0.323 0.449 0.829 0.514 CA 1.219 29 residues pruned to eliminate duplicates Z: 21 12.980 2.003 0.359 0.434 0.850 0.750 CB 1.342 21 residues pruned to eliminate duplicates Z: 53 28.245 2.018 0.570 0.543 0.846 0.635 CB 1.401 25 residues pruned to eliminate duplicates Z: 10 12.511 1.884 0.593 0.365 1.000 0.667 C 1.606 10 residues pruned to eliminate duplicates Z: 7 5.780 1.758 0.031 0.549 0.833 0.667 CB 1.490 7 residues pruned to eliminate duplicates Z: 19 18.460 1.914 0.263 0.910 1.000 0.833 CA 1.276 19 residues pruned to eliminate duplicates Z: 9 9.394 1.870 0.335 0.830 1.000 0.750 CB 1.000 9 residues pruned to eliminate duplicates Z: 12 6.478 2.077 -0.095 0.439 0.818 0.364 CB 1.352 12 residues pruned to eliminate duplicates Z: 10 11.015 1.858 0.354 0.856 0.889 0.889 CA 1.211 Z: 7 6.536 1.568 0.094 0.898 0.833 0.667 N 1.335 7 residues pruned to eliminate duplicates Z: 12 6.589 1.789 0.285 0.446 0.818 0.545 CB 1.116 12 residues pruned to eliminate duplicates Z: 17 25.060 2.062 0.762 0.921 0.938 0.688 CB 1.295 17 residues pruned to eliminate duplicates Z: 10 10.505 1.816 0.590 0.744 1.000 0.778 CB 0.975 10 residues pruned to eliminate duplicates Z: 19 19.815 1.981 0.246 0.847 1.000 0.889 CA 1.404 19 residues pruned to eliminate duplicates Z: 10 12.599 1.868 0.750 0.694 0.889 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 9 9.980 1.999 0.310 0.598 0.875 0.625 CB 1.403 9 residues pruned to eliminate duplicates Z: 12 10.903 1.826 0.587 0.347 1.000 0.545 CB 1.339 10 residues pruned to eliminate duplicates Z: 37 34.456 1.947 0.694 0.745 0.944 0.528 CA 1.480 44 residues pruned to eliminate duplicates Z: 8 6.293 1.994 -0.064 0.530 0.857 0.429 CB 1.442 9 residues pruned to eliminate duplicates Z: 19 14.816 1.947 0.465 0.509 0.944 0.611 CA 1.285 19 residues pruned to eliminate duplicates Z: 8 11.287 1.918 0.279 0.853 1.000 0.857 CB 1.285 8 residues pruned to eliminate duplicates Z: 10 9.218 2.015 0.175 0.611 0.889 0.556 CB 1.314 10 residues pruned to eliminate duplicates Z: 6 3.934 1.989 0.018 0.646 0.800 0.800 CB 0.947 6 residues pruned to eliminate duplicates Z: 12 9.642 1.724 0.596 0.498 0.909 0.545 CB 1.165 15 residues pruned to eliminate duplicates Z: 16 18.525 2.147 0.113 0.915 0.933 0.933 CB 1.517 16 residues pruned to eliminate duplicates Z: 7 8.223 2.032 0.162 0.585 0.833 0.667 CA 1.573 7 residues pruned to eliminate duplicates Z: 6 5.445 1.929 0.101 0.359 0.800 0.600 CA 1.667 9 residues pruned to eliminate duplicates Z: 13 8.387 2.098 0.470 0.288 0.833 0.500 CB 1.195 13 residues pruned to eliminate duplicates Z: 9 7.202 1.952 0.239 0.279 0.875 0.500 CB 1.544 9 residues pruned to eliminate duplicates Z: 13 33.613 2.281 0.890 0.882 0.917 0.333 CA 1.777 13 residues pruned to eliminate duplicates Z: 27 19.310 2.055 0.488 0.416 0.846 0.692 CB 1.598 27 residues pruned to eliminate duplicates Z: 65 36.163 2.083 0.472 0.521 0.906 0.516 CA 1.594 50 residues pruned to eliminate duplicates Z: 21 27.144 1.994 0.650 0.922 0.950 0.600 CB 1.366 21 residues pruned to eliminate duplicates Z: 9 10.312 1.955 0.399 0.730 1.000 0.625 CB 1.084 10 residues pruned to eliminate duplicates Z: 29 17.691 1.936 0.384 0.435 0.929 0.464 CA 1.437 29 residues pruned to eliminate duplicates Z: 22 19.075 2.115 0.469 0.602 0.857 0.524 CA 1.419 22 residues pruned to eliminate duplicates Z: 11 8.372 1.891 0.257 0.402 0.900 0.400 CB 1.372 13 residues pruned to eliminate duplicates Z: 8 8.166 1.812 0.246 0.675 0.857 0.714 CB 1.357 9 residues pruned to eliminate duplicates Z: 20 16.935 1.991 0.450 0.455 0.895 0.579 CA 1.576 20 residues pruned to eliminate duplicates Z: 10 18.608 2.111 0.676 0.882 0.889 0.667 CB 1.427 10 residues pruned to eliminate duplicates Z: 25 22.260 2.032 0.381 0.606 0.917 0.625 CB 1.597 25 residues pruned to eliminate duplicates Z: 16 8.734 1.775 0.529 0.394 0.733 0.467 CA 1.267 26 residues pruned to eliminate duplicates Z: 11 11.888 1.773 0.529 0.870 0.800 0.600 CA 1.266 11 residues pruned to eliminate duplicates Z: 15 5.972 1.591 0.240 0.375 0.786 0.429 CB 1.177 15 residues pruned to eliminate duplicates Z: 12 5.588 1.986 0.187 0.321 0.727 0.545 CA 1.197 12 residues pruned to eliminate duplicates Z: 37 29.939 2.123 0.703 0.471 0.917 0.500 CB 1.551 40 residues pruned to eliminate duplicates Z: 11 13.579 1.744 0.453 0.762 1.000 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 10 8.929 1.869 -0.104 0.890 1.000 0.889 CA 1.279 10 residues pruned to eliminate duplicates Z: 19 12.043 1.934 0.422 0.453 0.889 0.444 CB 1.218 19 residues pruned to eliminate duplicates Z: 19 14.719 1.909 0.492 0.434 0.833 0.556 CB 1.565 17 residues pruned to eliminate duplicates Z: 22 13.224 1.846 0.381 0.419 1.000 0.667 CB 1.232 22 residues pruned to eliminate duplicates Z: 12 10.362 1.877 0.188 0.765 1.000 0.727 CB 1.107 12 residues pruned to eliminate duplicates Z: 12 7.351 1.833 0.188 0.431 0.818 0.636 CA 1.337 12 residues pruned to eliminate duplicates Z: 22 14.627 2.003 0.505 0.391 0.857 0.619 CA 1.386 20 residues pruned to eliminate duplicates Z: 20 21.453 2.069 0.548 0.672 0.895 0.526 CB 1.466 20 residues pruned to eliminate duplicates Z: 10 12.929 1.987 0.263 0.646 1.000 0.667 CB 1.499 10 residues pruned to eliminate duplicates Z: 11 18.986 2.162 0.394 0.880 1.000 0.600 CB 1.443 11 residues pruned to eliminate duplicates Z: 14 20.261 1.919 0.587 0.846 0.923 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 11 21.085 2.049 0.641 0.862 1.000 0.600 CB 1.456 11 residues pruned to eliminate duplicates Z: 23 21.775 2.038 0.803 0.578 0.818 0.636 CA 1.433 24 residues pruned to eliminate duplicates Z: 9 12.382 2.208 0.528 0.396 1.000 0.625 CB 1.449 9 residues pruned to eliminate duplicates Z: 39 28.042 2.067 0.490 0.535 0.895 0.474 CA 1.595 39 residues pruned to eliminate duplicates Z: 43 17.967 1.957 0.274 0.347 0.905 0.429 CB 1.451 35 residues pruned to eliminate duplicates Z: 9 7.845 1.528 0.802 0.801 0.875 0.625 CA 0.885 9 residues pruned to eliminate duplicates Z: 6 5.786 1.740 0.103 0.432 1.000 0.400 N 1.447 Z: 10 5.825 2.088 0.184 0.218 1.000 0.556 CB 1.093 10 residues pruned to eliminate duplicates Z: 21 16.602 2.000 0.422 0.457 0.900 0.550 CA 1.515 21 residues pruned to eliminate duplicates Z: 21 29.943 2.113 0.773 0.677 0.950 0.600 CA 1.597 21 residues pruned to eliminate duplicates Z: 28 19.306 2.189 0.846 0.289 0.852 0.444 CB 1.367 28 residues pruned to eliminate duplicates Z: 8 4.563 1.756 0.237 0.473 1.000 0.429 CB 0.816 8 residues pruned to eliminate duplicates Z: 6 2.252 1.679 0.520 0.326 0.600 0.400 CB 0.796 6 residues pruned to eliminate duplicates Z: 13 12.574 1.977 0.295 0.622 0.917 0.583 CA 1.378 13 residues pruned to eliminate duplicates Z: 57 36.944 2.113 0.652 0.512 0.893 0.446 CA 1.566 57 residues pruned to eliminate duplicates Z: 10 12.788 1.777 0.416 0.874 1.000 0.889 CA 1.233 10 residues pruned to eliminate duplicates Z: 8 6.278 1.731 0.197 0.591 0.857 0.714 CB 1.225 Z: 18 14.016 1.902 0.129 0.917 1.000 0.941 CA 1.117 18 residues pruned to eliminate duplicates Z: 8 11.060 1.862 0.473 0.542 1.000 0.429 CB 1.463 8 residues pruned to eliminate duplicates Z: 7 3.507 1.704 0.336 0.418 0.667 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 6 6.030 1.511 0.860 0.634 1.000 0.400 CA 0.846 6 residues pruned to eliminate duplicates Z: 49 22.668 2.105 0.431 0.398 0.792 0.542 CB 1.527 33 residues pruned to eliminate duplicates Z: 54 32.374 2.005 0.634 0.592 0.792 0.358 CB 1.569 54 residues pruned to eliminate duplicates Z: 45 31.619 2.079 0.641 0.503 0.932 0.500 CA 1.495 45 residues pruned to eliminate duplicates Z: 19 16.000 2.081 0.744 0.367 0.833 0.444 CB 1.438 19 residues pruned to eliminate duplicates Z: 27 19.380 1.985 0.562 0.557 0.808 0.423 CA 1.436 27 residues pruned to eliminate duplicates Z: 6 3.635 1.739 0.181 0.471 0.800 0.400 CB 1.019 Z: 14 33.701 2.219 0.749 0.927 1.000 0.615 CA 1.688 14 residues pruned to eliminate duplicates Z: 9 21.419 2.052 0.578 0.883 1.000 0.875 CB 1.691 9 residues pruned to eliminate duplicates Z: 42 27.734 2.045 0.513 0.569 0.854 0.756 CA 1.535 42 residues pruned to eliminate duplicates Z: 10 8.336 2.085 0.048 0.578 0.778 0.667 CA 1.517 10 residues pruned to eliminate duplicates Z: 11 7.932 1.820 0.099 0.820 0.800 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 14 7.584 2.013 0.337 0.299 0.692 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 20 30.275 2.055 0.874 0.921 1.000 0.421 CB 1.270 20 residues pruned to eliminate duplicates Z: 23 11.173 1.880 0.553 0.436 0.773 0.455 CA 1.128 23 residues pruned to eliminate duplicates Z: 9 14.665 1.992 0.271 0.880 1.000 1.000 CA 1.484 9 residues pruned to eliminate duplicates Z: 19 24.100 2.030 0.586 0.883 0.889 0.444 CB 1.435 18 residues pruned to eliminate duplicates Z: 7 9.667 2.015 0.876 0.482 0.833 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 9 6.584 1.896 0.254 0.410 0.875 0.500 CA 1.230 9 residues pruned to eliminate duplicates Z: 16 15.550 1.897 0.717 0.506 0.867 0.667 CB 1.413 15 residues pruned to eliminate duplicates Z: 6 2.447 2.022 0.307 0.100 0.800 0.400 CB 0.863 6 residues pruned to eliminate duplicates Z: 24 10.944 1.831 0.258 0.543 0.870 0.565 CA 1.093 24 residues pruned to eliminate duplicates Z: 37 29.384 2.067 0.740 0.517 0.889 0.417 CA 1.506 37 residues pruned to eliminate duplicates Z: 9 12.743 1.952 0.557 0.580 1.000 0.625 CB 1.372 11 residues pruned to eliminate duplicates Z: 14 6.963 1.771 0.634 0.456 0.769 0.462 CB 0.907 21 residues pruned to eliminate duplicates Z: 48 36.285 2.189 0.637 0.539 0.872 0.447 CB 1.630 48 residues pruned to eliminate duplicates Z: 12 9.836 1.948 0.550 0.375 0.909 0.455 CB 1.234 12 residues pruned to eliminate duplicates Z: 16 17.917 1.832 0.739 0.895 0.933 0.667 CB 1.116 16 residues pruned to eliminate duplicates Z: 12 9.288 1.838 0.336 0.506 0.818 0.636 CB 1.385 12 residues pruned to eliminate duplicates Z: 25 11.809 1.895 0.249 0.373 0.875 0.542 CA 1.334 25 residues pruned to eliminate duplicates Z: 8 7.810 1.983 0.215 0.522 0.857 0.714 CB 1.399 8 residues pruned to eliminate duplicates Z: 9 10.770 2.077 0.238 0.749 0.875 0.875 CA 1.354 9 residues pruned to eliminate duplicates Z: 7 2.429 1.443 0.033 0.290 0.833 0.333 CB 1.011 Z: 34 20.095 2.055 0.470 0.439 0.818 0.424 CA 1.507 34 residues pruned to eliminate duplicates Z: 19 8.163 1.831 0.393 0.259 0.944 0.500 CB 1.052 19 residues pruned to eliminate duplicates Z: 20 9.889 1.754 0.336 0.393 0.895 0.421 CB 1.211 21 residues pruned to eliminate duplicates Z: 6 2.475 1.405 0.216 0.650 0.800 0.400 O 0.704 Z: 46 26.709 2.056 0.521 0.484 0.867 0.422 CA 1.492 46 residues pruned to eliminate duplicates Z: 14 10.197 1.667 0.308 0.503 0.923 0.462 N 1.401 14 residues pruned to eliminate duplicates Z: 11 6.420 1.741 0.055 0.491 0.800 0.500 CB 1.394 11 residues pruned to eliminate duplicates Z: 13 10.053 1.940 0.164 0.579 1.000 0.750 CB 1.191 13 residues pruned to eliminate duplicates Z: 19 21.213 2.039 0.464 0.857 0.889 0.667 CB 1.389 19 residues pruned to eliminate duplicates Z: 14 15.695 2.018 1.148 0.444 0.769 0.615 CA 1.383 Z: 13 5.504 1.657 0.428 0.396 0.750 0.417 CA 1.000 13 residues pruned to eliminate duplicates Z: 62 31.761 2.016 0.723 0.511 0.820 0.541 CA 1.414 62 residues pruned to eliminate duplicates Z: 22 13.817 1.948 0.312 0.478 0.905 0.571 CA 1.334 22 residues pruned to eliminate duplicates Z: 14 12.540 2.082 0.304 0.538 0.923 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 9 7.751 1.934 0.289 0.517 0.875 0.625 CA 1.235 9 residues pruned to eliminate duplicates Z: 9 12.328 1.965 0.598 0.662 0.875 0.750 CB 1.365 9 residues pruned to eliminate duplicates Z: 62 38.397 2.071 0.733 0.615 0.820 0.541 CA 1.498 73 residues pruned to eliminate duplicates Z: 30 23.499 2.125 0.553 0.465 0.897 0.517 CA 1.528 30 residues pruned to eliminate duplicates Z: 6 5.464 1.905 0.554 0.495 0.800 0.800 CB 1.037 6 residues pruned to eliminate duplicates Z: 8 2.470 1.322 0.227 0.291 0.857 0.714 O 0.849 Z: 6 4.042 1.466 0.497 0.570 1.000 0.600 C 0.769 Z: 16 13.232 2.128 0.257 0.475 0.800 0.400 CB 1.637 16 residues pruned to eliminate duplicates Z: 17 17.212 2.078 0.124 0.885 0.938 0.875 CB 1.420 17 residues pruned to eliminate duplicates Z: 19 15.414 1.876 0.568 0.659 0.944 0.556 CA 1.128 19 residues pruned to eliminate duplicates Z: 6 2.829 1.555 0.307 0.310 0.600 0.400 CB 1.280 Z: 6 3.753 1.620 0.443 0.379 0.800 0.600 CB 1.021 Z: 8 8.101 1.984 0.148 0.851 0.857 0.571 CB 1.161 Z: 10 5.240 1.802 0.090 0.443 0.778 0.444 CB 1.213 10 residues pruned to eliminate duplicates Z: 13 7.842 1.864 0.630 0.352 0.750 0.500 CB 1.166 13 residues pruned to eliminate duplicates Z: 6 4.808 1.755 0.247 0.695 0.800 0.600 N 1.027 6 residues pruned to eliminate duplicates Z: 6 2.322 1.258 0.658 0.430 0.800 0.600 CA 0.669 Z: 7 4.363 1.770 0.040 0.556 0.833 0.500 CA 1.100 6 residues pruned to eliminate duplicates Z: 28 16.284 2.019 0.450 0.363 0.889 0.593 CB 1.396 28 residues pruned to eliminate duplicates Z: 20 8.323 1.855 0.226 0.409 0.737 0.421 CB 1.253 20 residues pruned to eliminate duplicates Z: 10 23.585 2.244 0.530 0.859 1.000 0.889 CB 1.685 10 residues pruned to eliminate duplicates Z: 9 9.573 1.906 0.238 0.862 0.875 0.500 CB 1.203 8 residues pruned to eliminate duplicates Z: 10 4.733 1.479 0.274 0.363 0.889 0.222 CB 1.091 7 residues pruned to eliminate duplicates Z: 10 5.491 1.771 0.313 0.527 0.889 0.667 CA 0.863 10 residues pruned to eliminate duplicates Z: 19 15.125 2.129 0.290 0.589 0.889 0.667 CB 1.341 28 residues pruned to eliminate duplicates Z: 6 2.698 1.509 0.225 0.477 0.800 0.600 CA 0.836 Z: 7 6.765 1.927 0.822 0.408 0.667 0.500 CA 1.299 7 residues pruned to eliminate duplicates 6 1.115 1.428 -0.125 0.420 0.800 0.600 CA 0.542 ? Z: 21 21.484 1.991 0.425 0.845 0.900 0.750 CB 1.399 21 residues pruned to eliminate duplicates Z: 6 2.573 1.411 1.014 0.312 0.600 0.600 C 0.830 6 residues pruned to eliminate duplicates Z: 16 16.317 1.840 0.227 0.868 1.000 0.733 CA 1.364 16 residues pruned to eliminate duplicates Z: 11 16.924 2.012 0.611 0.552 1.000 0.700 CA 1.569 11 residues pruned to eliminate duplicates Z: 7 4.769 1.838 0.640 0.334 0.667 0.500 CB 1.162 7 residues pruned to eliminate duplicates Z: 10 7.150 1.772 0.443 0.490 0.889 0.667 CB 1.059 10 residues pruned to eliminate duplicates Z: 12 7.250 1.813 0.259 0.519 0.818 0.636 CB 1.149 10 residues pruned to eliminate duplicates Z: 12 4.378 1.645 0.296 0.442 0.545 0.273 CB 1.205 12 residues pruned to eliminate duplicates Z: 16 14.079 2.057 0.367 0.408 0.867 0.600 CB 1.642 16 residues pruned to eliminate duplicates Z: 12 12.855 1.846 0.427 0.777 0.818 0.545 CA 1.409 12 residues pruned to eliminate duplicates Z: 11 10.639 1.788 0.990 0.335 0.800 0.600 C 1.415 11 residues pruned to eliminate duplicates Z: 11 12.626 2.026 0.519 0.519 0.900 0.700 CA 1.414 11 residues pruned to eliminate duplicates Z: 10 6.786 1.789 0.323 0.376 0.889 0.667 CB 1.227 10 residues pruned to eliminate duplicates Z: 27 14.423 1.955 0.314 0.474 0.846 0.615 CA 1.336 27 residues pruned to eliminate duplicates Z: 11 2.595 1.403 0.173 0.284 0.600 0.400 CB 1.061 Z: 9 4.776 1.557 0.526 0.270 0.750 0.375 N 1.230 Z: 6 8.097 1.731 0.614 0.657 1.000 0.600 CA 1.121 6 residues pruned to eliminate duplicates Z: 10 12.348 1.975 0.688 0.603 1.000 0.778 CB 1.120 10 residues pruned to eliminate duplicates Z: 7 2.878 1.486 0.797 0.248 0.500 0.500 CA 1.175 Z: 6 6.204 2.019 0.112 0.659 1.000 1.000 CB 1.067 5 residues pruned to eliminate duplicates Z: 12 10.981 2.005 0.618 0.309 0.909 0.455 CB 1.388 17 residues pruned to eliminate duplicates Z: 9 7.512 1.978 0.207 0.451 1.000 0.625 CB 1.170 9 residues pruned to eliminate duplicates Z: 7 2.958 1.493 -0.032 0.567 0.833 0.667 CB 0.939 Z: 8 4.454 1.794 0.205 0.373 0.857 0.571 CB 1.041 6 residues pruned to eliminate duplicates Z: 11 8.701 1.788 0.318 0.659 0.900 0.800 CB 1.119 11 residues pruned to eliminate duplicates Z: 8 5.901 1.737 0.608 0.469 0.857 0.429 CA 0.961 8 residues pruned to eliminate duplicates Z: 45 28.877 1.956 0.529 0.600 0.932 0.614 CA 1.420 45 residues pruned to eliminate duplicates Z: 9 8.081 1.777 0.337 0.514 0.875 0.750 CA 1.356 9 residues pruned to eliminate duplicates Z: 21 12.252 1.897 0.551 0.339 0.850 0.500 CA 1.306 21 residues pruned to eliminate duplicates 6 1.757 1.154 0.392 0.667 0.800 0.800 N 0.524 ? Z: 8 5.211 1.580 0.833 0.399 0.714 0.429 CA 1.058 8 residues pruned to eliminate duplicates Z: 17 17.835 1.980 0.418 0.903 1.000 0.750 CB 1.132 15 residues pruned to eliminate duplicates Z: 6 3.456 1.430 0.272 0.474 0.800 0.600 C 1.091 Z: 23 12.979 1.946 0.277 0.436 0.955 0.682 CA 1.246 23 residues pruned to eliminate duplicates Z: 12 10.242 2.075 0.180 0.554 1.000 1.000 CB 1.196 12 residues pruned to eliminate duplicates Z: 6 4.952 1.546 0.139 0.846 1.000 1.000 CB 0.934 6 residues pruned to eliminate duplicates Z: 9 16.673 1.959 0.596 0.806 1.000 0.625 CA 1.444 9 residues pruned to eliminate duplicates Z: 8 7.772 1.948 0.703 0.313 0.857 0.286 CB 1.271 8 residues pruned to eliminate duplicates Z: 10 7.774 1.878 0.634 0.256 0.889 0.333 CB 1.256 10 residues pruned to eliminate duplicates Z: 11 13.001 1.642 0.575 0.885 1.000 0.700 CB 1.148 Z: 10 6.362 1.839 0.330 0.234 1.000 0.444 CA 1.181 10 residues pruned to eliminate duplicates Z: 10 15.327 2.092 0.553 0.626 1.000 0.889 CA 1.397 10 residues pruned to eliminate duplicates Z: 14 21.342 1.946 0.800 0.642 1.000 0.846 CB 1.481 14 residues pruned to eliminate duplicates Z: 6 2.159 1.582 0.290 0.252 0.800 0.400 N 0.786 Z: 10 4.453 1.400 0.360 0.356 0.889 0.333 CB 1.025 Z: 8 3.889 1.382 0.760 0.408 1.000 0.571 CB 0.666 Z: 24 12.145 1.941 0.193 0.397 0.826 0.522 CA 1.476 31 residues pruned to eliminate duplicates Z: 6 3.165 1.521 0.315 0.530 1.000 0.400 CB 0.687 Z: 6 2.089 1.279 0.565 0.309 0.600 0.400 CB 0.962 Z: 6 2.614 1.238 1.016 0.284 0.800 0.600 N 0.747 6 residues pruned to eliminate duplicates Z: 12 13.503 1.810 0.295 0.880 1.000 0.818 CB 1.258 12 residues pruned to eliminate duplicates Z: 7 2.047 1.730 0.269 0.280 0.667 0.333 CB 0.732 8 residues pruned to eliminate duplicates 6 1.893 1.386 0.236 0.396 1.000 0.600 CB 0.551 ? Z: 9 5.400 1.952 0.266 0.530 0.625 0.375 CB 1.200 8 residues pruned to eliminate duplicates Z: 17 13.989 1.884 0.613 0.428 0.875 0.500 CB 1.417 17 residues pruned to eliminate duplicates Z: 8 11.784 1.823 0.700 0.716 1.000 1.000 CA 1.182 8 residues pruned to eliminate duplicates Z: 9 7.059 1.810 -0.092 0.682 1.000 0.875 CA 1.284 9 residues pruned to eliminate duplicates Z: 30 24.672 2.060 0.619 0.552 0.897 0.414 CA 1.457 30 residues pruned to eliminate duplicates Z: 33 15.833 1.999 0.436 0.479 0.750 0.438 CA 1.328 33 residues pruned to eliminate duplicates Z: 7 2.739 1.515 0.197 0.473 0.667 0.667 CA 0.950 Z: 17 17.615 2.000 0.566 0.532 0.938 0.750 CB 1.453 18 residues pruned to eliminate duplicates Z: 13 5.891 1.652 0.280 0.203 0.833 0.417 CB 1.373 8 residues pruned to eliminate duplicates Z: 9 9.317 1.669 0.727 0.625 0.875 0.875 CB 1.162 6 residues pruned to eliminate duplicates Z: 19 20.260 1.973 0.549 0.826 0.889 0.667 CB 1.326 19 residues pruned to eliminate duplicates Z: 7 12.855 2.137 0.479 0.668 1.000 0.833 CB 1.422 7 residues pruned to eliminate duplicates Z: 23 15.581 1.910 0.532 0.413 0.864 0.500 CB 1.439 23 residues pruned to eliminate duplicates Z: 8 4.351 1.513 0.473 0.359 0.714 0.286 N 1.203 8 residues pruned to eliminate duplicates Z: 10 9.013 2.052 0.364 0.307 0.889 0.333 CB 1.497 10 residues pruned to eliminate duplicates Z: 10 9.350 1.971 0.056 0.551 1.000 0.444 CB 1.425 10 residues pruned to eliminate duplicates Z: 10 2.141 1.571 -0.474 0.447 0.778 0.444 N 1.173 Z: 31 26.674 2.033 0.784 0.703 0.900 0.467 CB 1.241 31 residues pruned to eliminate duplicates Z: 7 3.041 1.690 -0.297 0.615 0.833 0.500 C 1.126 Z: 25 11.662 1.867 0.499 0.312 0.875 0.458 CA 1.197 25 residues pruned to eliminate duplicates Z: 7 10.129 1.839 0.187 0.818 1.000 1.000 CB 1.437 7 residues pruned to eliminate duplicates Z: 28 13.281 1.857 0.319 0.427 0.889 0.667 CB 1.266 28 residues pruned to eliminate duplicates Z: 7 2.523 1.362 0.005 0.426 0.833 0.500 CA 0.976 Z: 54 36.697 2.136 0.672 0.526 0.887 0.472 CB 1.551 54 residues pruned to eliminate duplicates Z: 8 5.997 1.700 0.258 0.758 1.000 0.857 CB 0.842 8 residues pruned to eliminate duplicates Z: 17 17.509 2.020 0.497 0.612 0.875 0.500 CB 1.488 17 residues pruned to eliminate duplicates Z: 6 3.832 1.478 0.712 0.630 0.800 0.600 CB 0.749 Z: 6 4.591 1.787 -0.117 0.440 1.000 0.400 CB 1.384 Z: 7 2.035 1.355 0.016 0.309 0.833 0.500 CB 0.895 Z: 6 2.375 1.469 0.123 0.131 0.800 0.400 CB 1.276 7 1.732 1.034 0.650 0.493 0.667 0.333 C 0.626 ? Z: 30 12.953 1.903 0.388 0.294 0.793 0.345 CB 1.447 25 residues pruned to eliminate duplicates Z: 14 14.309 2.070 0.845 0.521 0.769 0.615 CA 1.323 14 residues pruned to eliminate duplicates Z: 9 3.575 1.409 0.661 0.187 0.750 0.250 C 1.048 Z: 6 3.371 1.739 0.279 0.389 1.000 1.000 CB 0.763 6 residues pruned to eliminate duplicates Z: 8 11.053 1.703 0.511 0.853 0.857 0.714 N 1.400 Z: 21 13.354 1.935 0.449 0.616 0.800 0.500 CB 1.193 21 residues pruned to eliminate duplicates Z: 6 3.081 1.697 0.194 0.273 0.800 0.400 N 1.099 6 residues pruned to eliminate duplicates Z: 7 8.445 1.739 0.485 0.700 1.000 0.667 CA 1.112 7 residues pruned to eliminate duplicates Z: 10 3.283 1.553 0.116 0.490 0.667 0.333 CB 0.956 10 residues pruned to eliminate duplicates Z: 10 15.266 1.933 0.664 0.797 1.000 0.667 CA 1.220 10 residues pruned to eliminate duplicates 9 1.864 1.215 -0.050 0.233 1.000 0.500 CB 0.778 ? 6 1.977 1.422 0.152 0.300 0.800 0.800 C 0.843 ? Z: 12 23.988 2.026 0.717 0.876 0.909 0.545 C 1.661 12 residues pruned to eliminate duplicates Z: 8 5.333 1.588 0.148 0.608 0.857 0.714 C 1.165 8 residues pruned to eliminate duplicates Z: 6 4.962 2.024 0.126 0.390 1.000 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 6 3.446 1.369 0.443 0.636 0.800 0.800 CA 0.858 6 residues pruned to eliminate duplicates 8 1.752 1.322 -0.070 0.384 0.857 0.286 CB 0.711 ? Z: 9 5.643 1.615 0.341 0.450 0.875 0.750 CB 1.108 7 residues pruned to eliminate duplicates Z: 11 3.646 1.490 0.296 0.235 0.800 0.200 CB 1.016 Z: 7 2.783 1.637 0.013 0.244 0.833 0.500 N 1.105 7 residues pruned to eliminate duplicates Z: 9 3.865 1.625 -0.063 0.661 0.875 0.625 CB 0.883 Z: 59 48.522 2.180 0.740 0.587 0.966 0.655 CB 1.600 35 residues pruned to eliminate duplicates Z: 8 2.683 1.444 0.438 0.342 0.714 0.571 N 0.812 Z: 9 4.053 1.607 0.587 0.297 0.625 0.250 N 1.127 Z: 60 32.599 2.099 0.599 0.461 0.881 0.559 CB 1.492 60 residues pruned to eliminate duplicates Z: 6 3.184 1.649 0.082 0.596 1.000 0.400 CB 0.728 Z: 11 10.793 1.824 0.370 0.669 1.000 0.700 CB 1.168 12 residues pruned to eliminate duplicates Z: 21 16.491 2.025 0.464 0.559 0.850 0.700 CB 1.381 21 residues pruned to eliminate duplicates Z: 25 13.842 2.001 0.400 0.359 0.792 0.625 CA 1.484 25 residues pruned to eliminate duplicates Z: 6 7.444 1.764 1.004 0.408 0.800 0.400 CB 1.297 6 residues pruned to eliminate duplicates Z: 26 17.700 1.867 0.576 0.584 0.960 0.480 CB 1.156 26 residues pruned to eliminate duplicates Z: 13 12.366 1.924 0.487 0.636 0.917 0.583 CA 1.198 13 residues pruned to eliminate duplicates Z: 22 11.346 1.930 0.430 0.356 0.952 0.619 CA 1.100 22 residues pruned to eliminate duplicates Z: 6 3.718 1.839 0.523 0.264 0.600 0.400 CA 1.295 Z: 16 10.920 1.911 0.072 0.388 1.000 0.533 CB 1.549 16 residues pruned to eliminate duplicates Z: 8 11.581 2.035 0.341 0.842 1.000 0.857 CB 1.195 8 residues pruned to eliminate duplicates Z: 17 9.385 1.841 0.447 0.434 0.688 0.562 CA 1.371 17 residues pruned to eliminate duplicates Z: 7 3.645 1.584 0.459 0.400 0.833 0.333 N 0.859 9 1.958 1.362 -0.082 0.342 0.750 0.500 N 0.876 ? Z: 14 9.605 1.848 0.411 0.293 0.846 0.462 CA 1.523 14 residues pruned to eliminate duplicates Z: 59 50.101 2.203 0.709 0.590 0.983 0.552 CB 1.630 57 residues pruned to eliminate duplicates Z: 7 5.768 1.819 0.469 0.471 0.833 0.667 CB 1.089 6 1.133 1.426 0.904 0.289 0.600 0.400 CB 0.394 ? Z: 6 3.168 1.561 0.922 0.278 0.600 0.600 CA 1.011 Z: 21 12.467 1.862 0.433 0.414 0.900 0.450 CA 1.270 21 residues pruned to eliminate duplicates Z: 35 17.861 1.900 0.443 0.411 0.912 0.647 CA 1.345 33 residues pruned to eliminate duplicates 7 1.285 1.372 0.280 0.358 0.667 0.333 CB 0.522 ? Z: 12 10.033 1.861 0.277 0.543 0.909 0.818 N 1.342 13 residues pruned to eliminate duplicates Z: 7 6.228 1.608 0.367 0.864 1.000 0.833 CB 0.848 Z: 10 9.170 1.738 0.537 0.520 0.889 0.556 N 1.262 10 residues pruned to eliminate duplicates Z: 14 14.350 1.897 0.872 0.493 0.769 0.308 N 1.467 14 residues pruned to eliminate duplicates Z: 9 6.460 1.864 0.384 0.353 0.875 0.500 CB 1.186 9 residues pruned to eliminate duplicates Z: 7 2.868 1.477 0.425 0.311 0.667 0.333 CB 1.030 Z: 32 23.440 1.996 0.431 0.552 0.935 0.677 CA 1.497 32 residues pruned to eliminate duplicates Z: 10 10.285 1.977 0.465 0.400 0.889 0.556 CB 1.479 10 residues pruned to eliminate duplicates Z: 36 27.817 2.059 0.651 0.509 0.857 0.571 CA 1.600 36 residues pruned to eliminate duplicates Z: 6 6.530 1.979 0.062 0.529 1.000 0.800 CB 1.350 6 residues pruned to eliminate duplicates Z: 6 2.875 1.925 -0.108 0.563 1.000 0.800 CB 0.704 6 residues pruned to eliminate duplicates Z: 14 10.698 1.909 0.435 0.373 0.923 0.538 CB 1.344 14 residues pruned to eliminate duplicates Z: 22 14.903 1.930 0.454 0.501 0.905 0.571 CB 1.279 22 residues pruned to eliminate duplicates Z: 6 2.117 1.566 -0.268 0.583 1.000 0.800 CB 0.762 Z: 15 12.307 2.030 0.294 0.481 0.857 0.643 CA 1.489 15 residues pruned to eliminate duplicates Z: 7 3.743 1.573 -0.244 0.678 1.000 0.500 CB 1.092 6 1.731 1.439 0.165 0.291 0.600 0.400 CA 0.973 ? Z: 7 2.821 1.351 0.552 0.450 0.667 0.333 CA 0.868 Z: 11 8.241 1.864 0.305 0.522 1.000 0.700 CA 1.048 17 residues pruned to eliminate duplicates Z: 10 3.781 1.287 0.156 0.397 1.000 0.333 CB 0.944 Z: 6 3.213 1.150 0.440 0.390 1.000 0.400 C 0.975 Z: 10 2.880 1.350 -0.012 0.457 0.889 0.556 CA 0.846 Z: 14 26.359 1.929 0.963 0.878 0.923 0.615 CB 1.518 14 residues pruned to eliminate duplicates 6 0.717 1.603 0.040 0.270 0.400 0.200 CB 0.624 ? Z: 7 2.381 1.422 0.323 0.367 0.833 0.667 CB 0.715 Z: 11 7.640 1.944 0.555 0.483 0.800 0.600 CA 1.015 11 residues pruned to eliminate duplicates Z: 15 6.275 1.547 0.226 0.476 0.714 0.500 CA 1.269 Z: 11 4.010 1.389 0.259 0.469 0.700 0.300 CB 1.069 11 residues pruned to eliminate duplicates Z: 38 17.935 1.998 0.513 0.461 0.865 0.595 CB 1.174 38 residues pruned to eliminate duplicates Z: 8 3.737 1.280 0.344 0.415 1.000 0.714 N 0.897 Z: 18 18.100 1.859 0.713 0.566 0.882 0.647 CB 1.466 17 residues pruned to eliminate duplicates Z: 6 3.914 1.643 0.219 0.497 0.800 0.400 CA 1.096 6 residues pruned to eliminate duplicates Z: 6 2.773 1.792 -0.039 0.655 0.800 0.600 CB 0.779 6 residues pruned to eliminate duplicates Z: 15 10.074 1.734 0.651 0.486 0.857 0.571 CB 1.112 15 residues pruned to eliminate duplicates Z: 6 4.358 1.690 0.361 0.491 0.800 0.600 CB 1.070 Z: 9 2.734 1.416 0.045 0.356 0.750 0.375 O 1.018 7 residues pruned to eliminate duplicates 6 1.215 1.071 0.168 0.298 0.600 0.600 C 0.908 ? Z: 13 7.228 1.562 0.654 0.302 0.917 0.667 N 1.099 13 residues pruned to eliminate duplicates Z: 7 3.904 1.750 -0.034 0.513 1.000 0.833 CA 0.931 7 residues pruned to eliminate duplicates Z: 12 5.221 1.591 0.372 0.348 0.818 0.636 CA 1.039 12 residues pruned to eliminate duplicates Z: 10 5.015 1.679 0.090 0.329 1.000 0.556 CB 1.102 10 residues pruned to eliminate duplicates Z: 8 3.108 1.254 0.443 0.424 1.000 0.571 C 0.703 Z: 9 10.337 1.786 0.308 0.771 1.000 0.875 CB 1.231 9 residues pruned to eliminate duplicates Z: 7 7.371 1.684 0.295 0.540 1.000 0.667 CA 1.327 7 residues pruned to eliminate duplicates Z: 26 13.760 1.934 0.287 0.363 0.960 0.480 CA 1.334 26 residues pruned to eliminate duplicates Z: 6 4.990 1.671 0.957 0.509 0.600 0.400 C 1.127 Z: 13 12.080 2.100 0.270 0.457 0.833 0.583 CB 1.639 13 residues pruned to eliminate duplicates Z: 43 20.374 1.941 0.399 0.439 0.905 0.500 CB 1.363 43 residues pruned to eliminate duplicates Z: 14 8.040 1.863 0.279 0.312 0.846 0.385 CB 1.362 14 residues pruned to eliminate duplicates Z: 23 18.087 2.027 0.314 0.615 0.955 0.682 CB 1.360 23 residues pruned to eliminate duplicates Z: 10 13.209 1.798 0.384 0.839 1.000 1.000 CA 1.322 10 residues pruned to eliminate duplicates Z: 6 13.861 1.986 0.636 0.846 1.000 1.000 CA 1.417 6 residues pruned to eliminate duplicates 7 1.465 1.150 0.178 0.301 0.833 0.333 C 0.661 ? Z: 8 4.739 1.594 0.091 0.703 0.857 0.571 CB 0.999 6 residues pruned to eliminate duplicates Z: 13 7.600 1.668 0.543 0.518 0.833 0.750 CB 1.005 13 residues pruned to eliminate duplicates Z: 8 7.112 1.727 -0.053 0.700 1.000 0.857 CB 1.369 10 residues pruned to eliminate duplicates Z: 29 21.770 2.101 0.506 0.516 0.857 0.393 CA 1.493 29 residues pruned to eliminate duplicates Z: 13 12.324 1.908 0.675 0.454 0.833 0.583 CB 1.400 13 residues pruned to eliminate duplicates Z: 16 6.947 1.718 0.671 0.206 0.800 0.333 CA 1.106 37 residues pruned to eliminate duplicates Z: 7 2.430 1.418 0.220 0.515 0.667 0.333 O 0.848 Z: 52 36.420 2.119 0.628 0.561 0.922 0.490 CB 1.512 57 residues pruned to eliminate duplicates Z: 6 3.127 1.605 0.334 0.227 0.800 0.600 N 1.122 Z: 8 7.945 1.681 0.741 0.467 0.857 0.429 CB 1.238 8 residues pruned to eliminate duplicates Z: 8 5.381 1.697 0.508 0.408 0.857 0.714 CB 1.021 8 residues pruned to eliminate duplicates Z: 12 3.770 1.610 0.326 0.187 0.636 0.364 N 1.217 6 1.348 1.025 0.531 0.296 1.000 0.400 CB 0.483 ? Z: 6 2.673 1.382 0.399 0.297 1.000 0.600 CA 0.775 Z: 40 25.116 2.030 0.598 0.477 0.821 0.564 CA 1.547 40 residues pruned to eliminate duplicates Z: 19 20.909 1.977 0.523 0.864 0.944 0.389 CB 1.271 19 residues pruned to eliminate duplicates 6 0.751 1.263 0.000 0.307 0.600 0.400 CB 0.549 ? Z: 7 2.208 1.303 0.872 0.248 0.667 0.333 CA 0.742 Z: 6 2.644 1.707 0.221 0.333 0.800 0.800 CB 0.852 6 residues pruned to eliminate duplicates Z: 14 5.002 1.572 0.149 0.341 0.769 0.462 N 1.187 14 residues pruned to eliminate duplicates Z: 30 11.013 1.895 0.172 0.343 0.828 0.483 CA 1.320 30 residues pruned to eliminate duplicates Z: 6 4.223 1.586 0.824 0.366 0.800 0.400 C 0.943 Z: 27 13.731 1.954 0.379 0.380 0.769 0.500 CA 1.475 28 residues pruned to eliminate duplicates Z: 6 3.991 1.375 0.639 0.580 0.800 0.400 N 0.917 Z: 6 4.222 1.583 0.217 0.392 1.000 0.400 CB 1.098 5 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.410 1.538 0.740 0.248 0.800 0.600 O 1.231 Z: 6 3.873 1.381 0.331 0.489 1.000 0.600 C 0.952 Z: 7 4.823 1.884 0.352 0.259 0.667 0.333 C 1.527 Z: 16 15.519 1.874 0.305 0.789 1.000 0.600 CA 1.271 16 residues pruned to eliminate duplicates Z: 18 16.782 1.758 0.326 0.867 1.000 0.882 CA 1.278 18 residues pruned to eliminate duplicates Z: 14 12.237 1.847 0.346 0.586 0.923 0.538 CB 1.361 14 residues pruned to eliminate duplicates Z: 7 5.471 1.572 0.249 0.665 0.833 0.333 N 1.171 Z: 6 4.886 1.565 0.361 0.411 1.000 0.400 CA 1.127 6 residues pruned to eliminate duplicates Z: 14 9.269 2.012 0.238 0.499 0.923 0.923 CB 1.119 14 residues pruned to eliminate duplicates Z: 6 6.489 1.801 0.253 0.446 1.000 0.800 CA 1.359 6 residues pruned to eliminate duplicates Z: 8 9.123 2.039 0.130 0.569 1.000 0.857 CB 1.400 8 residues pruned to eliminate duplicates Z: 6 2.671 1.625 0.567 0.269 0.800 0.600 N 0.763 6 residues pruned to eliminate duplicates Z: 12 8.861 1.915 0.151 0.526 1.000 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 6 5.541 1.992 0.522 0.325 0.800 0.600 CA 1.239 6 residues pruned to eliminate duplicates Z: 11 13.392 2.113 0.435 0.631 0.900 0.700 CA 1.372 11 residues pruned to eliminate duplicates Z: 9 13.414 2.170 0.316 0.664 1.000 0.625 CA 1.427 9 residues pruned to eliminate duplicates Z: 12 11.149 1.985 0.332 0.586 0.909 0.455 CA 1.289 12 residues pruned to eliminate duplicates Z: 17 10.321 1.877 0.244 0.547 0.812 0.500 CA 1.299 17 residues pruned to eliminate duplicates Z: 9 4.530 1.571 0.611 0.563 0.875 0.250 CA 0.681 9 residues pruned to eliminate duplicates Z: 8 3.649 1.484 0.562 0.261 0.714 0.286 CA 1.096 8 residues pruned to eliminate duplicates Z: 12 4.679 1.755 0.163 0.336 0.727 0.182 CA 1.137 12 residues pruned to eliminate duplicates Z: 10 5.443 1.819 0.221 0.206 0.778 0.444 CB 1.489 8 residues pruned to eliminate duplicates Z: 8 10.911 1.991 0.020 0.794 1.000 0.571 CB 1.570 8 residues pruned to eliminate duplicates Z: 14 7.572 1.695 0.610 0.330 0.769 0.462 CA 1.205 8 residues pruned to eliminate duplicates Z: 8 12.692 1.836 0.547 0.831 0.857 0.714 CB 1.481 8 residues pruned to eliminate duplicates Z: 9 10.204 1.786 0.243 0.732 1.000 0.500 CB 1.320 15 residues pruned to eliminate duplicates Z: 10 8.430 1.777 0.163 0.775 0.889 0.444 CB 1.200 10 residues pruned to eliminate duplicates Z: 7 6.198 1.829 0.888 0.335 1.000 0.667 CA 0.877 7 residues pruned to eliminate duplicates Z: 8 6.801 1.701 0.853 0.282 1.000 0.857 CA 1.043 8 residues pruned to eliminate duplicates Z: 6 8.522 1.772 0.536 0.482 1.000 1.000 C 1.426 6 residues pruned to eliminate duplicates Z: 9 18.896 2.077 0.843 0.776 1.000 0.875 CB 1.368 8 residues pruned to eliminate duplicates Z: 7 3.797 1.639 0.413 0.502 0.833 0.667 CA 0.801 Z: 7 4.231 1.704 0.330 0.438 1.000 0.500 CA 0.812 7 residues pruned to eliminate duplicates Z: 6 4.695 1.929 0.550 0.415 0.800 0.200 CA 0.960 6 residues pruned to eliminate duplicates Z: 6 2.843 1.767 0.458 0.176 0.800 0.400 CA 0.912 5 residues pruned to eliminate duplicates Z: 6 3.586 1.828 0.655 0.233 1.000 0.400 CB 0.723 4 residues pruned to eliminate duplicates Z: 6 5.606 1.544 0.620 0.428 1.000 0.600 N 1.081 6 residues pruned to eliminate duplicates Z: 9 11.303 2.016 0.532 0.631 1.000 0.875 CB 1.145 17 residues pruned to eliminate duplicates Z: 11 13.556 1.967 0.470 0.662 1.000 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 9 13.124 2.045 0.543 0.741 1.000 0.875 CB 1.184 10 residues pruned to eliminate duplicates Z: 15 10.121 1.721 0.610 0.468 0.857 0.571 CB 1.177 15 residues pruned to eliminate duplicates Z: 13 9.000 1.744 0.229 0.545 0.917 0.583 CA 1.266 11 residues pruned to eliminate duplicates Z: 6 8.212 1.931 0.561 0.445 1.000 0.800 CB 1.289 6 residues pruned to eliminate duplicates Z: 11 11.873 1.905 0.300 0.556 1.000 0.600 CB 1.436 10 residues pruned to eliminate duplicates Z: 7 3.980 1.580 0.470 0.485 0.667 0.167 CA 1.066 7 residues pruned to eliminate duplicates Z: 11 13.291 2.007 0.355 0.597 0.900 0.400 CB 1.565 13 residues pruned to eliminate duplicates Z: 7 8.959 1.895 0.840 0.425 1.000 0.500 CA 1.135 7 residues pruned to eliminate duplicates Z: 13 7.555 2.094 -0.010 0.380 0.750 0.500 CA 1.594 13 residues pruned to eliminate duplicates Z: 18 10.445 1.985 0.301 0.375 0.765 0.529 CA 1.466 18 residues pruned to eliminate duplicates Z: 18 11.162 2.042 0.132 0.378 0.882 0.412 CB 1.511 18 residues pruned to eliminate duplicates Z: 59 24.109 2.049 0.438 0.384 0.810 0.466 CB 1.501 116 residues pruned to eliminate duplicates Z: 18 12.024 2.084 0.263 0.436 0.824 0.412 CB 1.439 22 residues pruned to eliminate duplicates 7 1.262 1.594 0.432 0.254 0.500 0.000 CA 0.599 ? Z: 9 4.901 1.961 0.255 0.250 0.750 0.250 CB 1.251 Z: 29 16.828 2.022 0.389 0.418 0.821 0.464 CB 1.501 9 residues pruned to eliminate duplicates Z: 6 3.834 1.841 0.331 0.491 0.600 0.200 CA 1.177 6 residues pruned to eliminate duplicates Z: 55 23.029 2.024 0.391 0.398 0.870 0.500 CA 1.424 29 residues pruned to eliminate duplicates Z: 6 3.233 1.458 0.282 0.380 0.800 0.600 CA 1.098 6 residues pruned to eliminate duplicates Z: 28 15.467 2.039 0.332 0.358 0.815 0.667 CA 1.568 28 residues pruned to eliminate duplicates Z: 6 2.669 1.559 0.474 0.398 1.000 0.600 CA 0.578 6 residues pruned to eliminate duplicates Z: 29 17.695 2.069 0.358 0.345 0.893 0.500 CB 1.578 29 residues pruned to eliminate duplicates Z: 20 18.854 2.056 0.555 0.484 0.895 0.684 CA 1.537 20 residues pruned to eliminate duplicates Z: 18 13.230 2.067 0.436 0.322 0.824 0.529 CB 1.597 18 residues pruned to eliminate duplicates Z: 29 19.589 2.033 0.492 0.362 0.893 0.536 CB 1.585 29 residues pruned to eliminate duplicates Z: 7 6.562 1.956 0.522 0.476 0.833 0.667 CA 1.106 7 residues pruned to eliminate duplicates Z: 13 7.354 1.809 0.446 0.346 0.833 0.750 CA 1.151 13 residues pruned to eliminate duplicates Z: 15 8.423 1.880 0.356 0.417 0.929 0.714 CA 1.037 15 residues pruned to eliminate duplicates Z: 17 10.090 1.824 0.392 0.373 1.000 0.688 CA 1.139 17 residues pruned to eliminate duplicates Z: 11 8.866 1.915 0.566 0.389 1.000 0.500 CA 1.052 11 residues pruned to eliminate duplicates Z: 15 8.662 1.831 0.539 0.263 0.857 0.357 CA 1.256 15 residues pruned to eliminate duplicates Z: 15 10.954 1.915 0.443 0.483 0.929 0.714 CA 1.160 15 residues pruned to eliminate duplicates Z: 6 2.693 1.667 0.045 0.386 0.800 0.200 CB 0.976 6 residues pruned to eliminate duplicates Z: 40 15.326 1.883 0.369 0.433 0.897 0.615 CB 1.136 40 residues pruned to eliminate duplicates Z: 24 10.205 1.816 0.306 0.324 0.913 0.522 CA 1.192 24 residues pruned to eliminate duplicates Z: 46 17.289 1.827 0.475 0.396 0.911 0.667 CA 1.172 38 residues pruned to eliminate duplicates Z: 6 5.702 1.482 0.920 0.448 1.000 0.600 CA 0.946 6 residues pruned to eliminate duplicates Z: 12 16.663 2.000 0.669 0.514 1.000 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 24 16.033 1.943 0.493 0.503 0.913 0.696 CB 1.259 32 residues pruned to eliminate duplicates Z: 6 4.309 1.476 0.297 0.419 1.000 0.800 CA 1.095 Z: 18 14.157 2.049 0.100 0.873 0.941 0.647 CB 1.179 18 residues pruned to eliminate duplicates Z: 46 26.347 2.167 0.558 0.427 0.800 0.578 CB 1.569 44 residues pruned to eliminate duplicates Z: 19 18.981 2.029 0.405 0.884 0.944 0.722 CB 1.200 19 residues pruned to eliminate duplicates Z: 31 21.622 1.969 0.380 0.519 0.933 0.633 CA 1.528 31 residues pruned to eliminate duplicates Z: 51 27.507 2.108 0.487 0.472 0.840 0.660 CB 1.520 50 residues pruned to eliminate duplicates Z: 18 14.605 2.052 0.190 0.882 0.882 0.706 CB 1.190 18 residues pruned to eliminate duplicates Z: 41 26.528 2.085 0.516 0.557 0.850 0.525 CA 1.478 40 residues pruned to eliminate duplicates Z: 16 18.670 2.097 0.496 0.867 0.933 0.667 CB 1.205 16 residues pruned to eliminate duplicates Z: 52 30.526 2.076 0.654 0.474 0.863 0.549 CB 1.480 53 residues pruned to eliminate duplicates Z: 15 23.078 2.157 0.728 0.895 1.000 0.786 CB 1.186 15 residues pruned to eliminate duplicates Z: 48 31.988 2.162 0.628 0.461 0.894 0.574 CA 1.544 50 residues pruned to eliminate duplicates Z: 14 25.026 2.252 0.585 0.902 1.000 0.769 CA 1.387 16 residues pruned to eliminate duplicates Z: 18 16.940 2.030 0.288 0.689 0.941 0.471 CB 1.404 18 residues pruned to eliminate duplicates Z: 48 29.905 2.156 0.658 0.438 0.851 0.596 CB 1.529 23 residues pruned to eliminate duplicates Z: 33 14.880 2.019 0.467 0.315 0.844 0.500 CB 1.292 33 residues pruned to eliminate duplicates Z: 49 29.436 2.139 0.515 0.470 0.896 0.604 CB 1.508 49 residues pruned to eliminate duplicates Z: 53 29.727 2.120 0.568 0.473 0.865 0.596 CB 1.473 56 residues pruned to eliminate duplicates 6 1.957 1.311 1.314 0.433 1.000 1.000 CB 0.309 ? Z: 8 5.435 1.329 1.325 0.454 0.857 0.714 CA 0.813 8 residues pruned to eliminate duplicates Z: 13 8.768 2.081 0.676 0.270 0.833 0.417 CB 1.131 Z: 54 35.365 2.179 0.582 0.499 0.925 0.679 CB 1.525 68 residues pruned to eliminate duplicates Z: 6 2.925 2.210 0.138 0.100 0.800 0.200 CA 1.083 6 residues pruned to eliminate duplicates Z: 31 16.639 2.186 0.506 0.342 0.800 0.500 CB 1.370 31 residues pruned to eliminate duplicates Z: 56 28.063 2.125 0.527 0.471 0.818 0.564 CB 1.468 56 residues pruned to eliminate duplicates Z: 31 16.352 2.140 0.632 0.342 0.767 0.400 CB 1.325 31 residues pruned to eliminate duplicates Z: 32 18.635 2.152 0.547 0.328 0.839 0.484 CB 1.447 32 residues pruned to eliminate duplicates Z: 19 14.417 2.205 0.378 0.338 0.944 0.444 CA 1.413 19 residues pruned to eliminate duplicates Z: 51 30.821 2.173 0.553 0.414 0.920 0.500 CA 1.536 51 residues pruned to eliminate duplicates Z: 54 30.160 2.149 0.536 0.468 0.868 0.566 CA 1.494 54 residues pruned to eliminate duplicates Z: 30 19.353 2.151 0.677 0.356 0.862 0.483 CB 1.350 30 residues pruned to eliminate duplicates Z: 16 9.388 2.048 0.493 0.297 0.800 0.533 CA 1.244 16 residues pruned to eliminate duplicates Z: 33 17.840 1.978 0.571 0.334 0.812 0.500 CA 1.497 33 residues pruned to eliminate duplicates Z: 33 23.263 2.109 0.563 0.390 0.906 0.562 CB 1.547 33 residues pruned to eliminate duplicates Z: 48 27.132 2.108 0.597 0.419 0.851 0.553 CB 1.502 48 residues pruned to eliminate duplicates Z: 49 30.094 2.124 0.602 0.418 0.896 0.500 CB 1.552 49 residues pruned to eliminate duplicates Z: 10 7.131 1.561 0.737 0.475 0.778 0.667 N 1.157 10 residues pruned to eliminate duplicates Z: 23 25.279 2.135 0.577 0.665 0.909 0.727 CA 1.512 23 residues pruned to eliminate duplicates Z: 24 24.640 2.098 0.433 0.666 0.957 0.696 CA 1.533 24 residues pruned to eliminate duplicates Z: 22 26.499 2.129 0.495 0.670 0.952 0.762 CA 1.631 22 residues pruned to eliminate duplicates Z: 55 31.246 2.140 0.607 0.461 0.870 0.611 CB 1.478 55 residues pruned to eliminate duplicates Z: 28 19.919 2.158 0.504 0.436 0.889 0.519 CB 1.420 28 residues pruned to eliminate duplicates Z: 65 28.862 2.061 0.545 0.440 0.828 0.547 CB 1.455 65 residues pruned to eliminate duplicates Z: 27 19.054 2.158 0.626 0.418 0.923 0.538 CB 1.256 27 residues pruned to eliminate duplicates Z: 56 30.392 2.120 0.634 0.480 0.836 0.582 CB 1.443 56 residues pruned to eliminate duplicates Z: 8 7.394 1.921 0.979 0.319 0.857 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 8 7.479 1.890 0.849 0.335 0.857 0.429 CB 1.130 8 residues pruned to eliminate duplicates Z: 7 10.412 2.024 1.163 0.415 0.833 0.500 CB 1.273 7 residues pruned to eliminate duplicates Z: 7 13.703 2.029 1.336 0.379 1.000 0.500 CB 1.342 7 residues pruned to eliminate duplicates Z: 8 5.864 1.937 0.829 0.219 0.857 0.286 CB 1.015 8 residues pruned to eliminate duplicates Z: 12 3.636 1.608 0.618 0.179 0.636 0.364 CB 0.975 12 residues pruned to eliminate duplicates Z: 9 5.333 1.933 0.664 0.175 0.625 0.250 CB 1.391 9 residues pruned to eliminate duplicates Z: 8 6.232 2.051 0.651 0.229 0.714 0.429 CB 1.336 8 residues pruned to eliminate duplicates Z: 10 4.544 1.906 0.565 0.165 0.556 0.222 CB 1.375 10 residues pruned to eliminate duplicates Z: 10 7.431 2.069 0.858 0.227 0.778 0.333 CB 1.140 10 residues pruned to eliminate duplicates Z: 23 14.902 2.038 0.607 0.296 0.864 0.455 CA 1.411 23 residues pruned to eliminate duplicates Z: 8 7.160 2.083 0.788 0.206 0.857 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 6.593 1.971 0.583 0.149 0.900 0.500 CB 1.144 11 residues pruned to eliminate duplicates Z: 11 5.171 1.907 0.415 0.176 0.900 0.500 CB 0.997 11 residues pruned to eliminate duplicates Z: 23 9.563 1.941 0.578 0.302 0.727 0.455 CB 1.141 23 residues pruned to eliminate duplicates Z: 25 9.790 1.979 0.413 0.247 0.792 0.458 CB 1.209 25 residues pruned to eliminate duplicates Z: 13 11.333 2.015 0.534 0.450 0.833 0.583 CA 1.338 13 residues pruned to eliminate duplicates Z: 22 12.747 1.979 0.723 0.363 0.762 0.429 CB 1.240 22 residues pruned to eliminate duplicates Z: 21 15.308 2.023 0.606 0.377 0.850 0.500 CA 1.414 21 residues pruned to eliminate duplicates Z: 15 9.312 1.919 0.506 0.384 0.786 0.500 CA 1.240 15 residues pruned to eliminate duplicates Z: 15 11.611 1.950 0.440 0.426 0.857 0.500 CB 1.393 15 residues pruned to eliminate duplicates Z: 6 7.564 1.784 0.559 0.577 1.000 0.400 CB 1.130 6 residues pruned to eliminate duplicates Z: 8 6.880 1.999 0.512 0.474 0.857 0.571 CA 1.031 8 residues pruned to eliminate duplicates Z: 12 10.357 1.955 0.617 0.461 0.818 0.545 CA 1.257 12 residues pruned to eliminate duplicates Z: 13 12.010 1.978 0.725 0.410 0.833 0.667 CA 1.341 13 residues pruned to eliminate duplicates Z: 11 11.239 2.044 0.633 0.391 0.900 0.500 CA 1.328 11 residues pruned to eliminate duplicates Z: 55 44.020 2.198 0.717 0.532 0.944 0.667 CA 1.629 55 residues pruned to eliminate duplicates Z: 53 42.834 2.216 0.699 0.544 0.942 0.577 CA 1.604 53 residues pruned to eliminate duplicates Z: 10 8.095 1.840 0.675 0.353 0.778 0.444 CA 1.320 10 residues pruned to eliminate duplicates Z: 15 8.158 1.678 0.711 0.299 0.714 0.286 CA 1.331 15 residues pruned to eliminate duplicates Z: 28 25.275 2.058 0.754 0.509 0.963 0.556 CA 1.386 28 residues pruned to eliminate duplicates Z: 28 26.801 1.984 0.831 0.527 0.963 0.593 CB 1.435 28 residues pruned to eliminate duplicates Z: 27 28.789 2.101 0.734 0.575 0.885 0.538 CA 1.630 27 residues pruned to eliminate duplicates Z: 27 25.652 2.038 0.731 0.539 1.000 0.654 CA 1.373 27 residues pruned to eliminate duplicates Z: 26 24.280 2.082 0.710 0.559 0.880 0.640 CA 1.464 20 residues pruned to eliminate duplicates Z: 14 25.430 2.092 0.758 0.777 0.923 0.615 CA 1.628 14 residues pruned to eliminate duplicates Z: 27 23.588 2.051 0.640 0.555 0.923 0.654 CA 1.411 27 residues pruned to eliminate duplicates Z: 28 28.530 2.046 0.858 0.533 0.889 0.519 CA 1.574 28 residues pruned to eliminate duplicates Z: 29 27.790 2.068 0.727 0.580 0.929 0.607 CA 1.466 29 residues pruned to eliminate duplicates Z: 25 21.945 2.071 0.611 0.503 0.875 0.625 CA 1.530 25 residues pruned to eliminate duplicates Z: 25 21.644 2.039 0.759 0.492 0.917 0.542 CA 1.355 25 residues pruned to eliminate duplicates Z: 54 37.547 2.195 0.675 0.508 0.906 0.509 CB 1.536 54 residues pruned to eliminate duplicates Z: 21 28.303 2.180 0.731 0.664 0.900 0.500 CA 1.600 21 residues pruned to eliminate duplicates Z: 28 27.484 2.046 0.619 0.565 0.926 0.556 CA 1.619 28 residues pruned to eliminate duplicates Z: 23 21.703 2.067 0.900 0.511 0.864 0.545 CA 1.349 23 residues pruned to eliminate duplicates Z: 29 27.525 2.017 0.689 0.598 0.929 0.464 CA 1.498 28 residues pruned to eliminate duplicates Z: 15 28.528 2.086 0.845 0.892 0.929 0.571 CA 1.534 15 residues pruned to eliminate duplicates Z: 28 27.412 2.024 0.718 0.574 0.963 0.407 CA 1.466 28 residues pruned to eliminate duplicates Z: 29 28.433 2.036 0.719 0.598 0.893 0.536 CA 1.565 29 residues pruned to eliminate duplicates Z: 59 39.699 2.121 0.645 0.525 0.914 0.517 CB 1.594 59 residues pruned to eliminate duplicates Z: 28 21.762 1.949 0.525 0.557 0.852 0.296 CB 1.566 28 residues pruned to eliminate duplicates Z: 17 18.193 2.044 0.229 0.645 1.000 0.500 CA 1.581 17 residues pruned to eliminate duplicates Z: 55 31.726 2.135 0.496 0.450 0.889 0.574 CB 1.600 55 residues pruned to eliminate duplicates Z: 40 27.374 2.141 0.485 0.488 0.923 0.513 CB 1.511 40 residues pruned to eliminate duplicates Z: 60 39.844 2.096 0.568 0.589 0.949 0.593 CB 1.527 60 residues pruned to eliminate duplicates Z: 57 41.808 2.203 0.602 0.503 0.964 0.589 CB 1.637 57 residues pruned to eliminate duplicates Z: 57 45.092 2.196 0.677 0.550 0.946 0.571 CA 1.646 57 residues pruned to eliminate duplicates Z: 14 18.751 2.130 0.267 0.748 0.923 0.615 CA 1.672 14 residues pruned to eliminate duplicates Z: 46 30.872 2.000 0.516 0.577 0.933 0.511 CA 1.510 46 residues pruned to eliminate duplicates Z: 42 25.775 2.125 0.477 0.443 0.927 0.488 CB 1.468 42 residues pruned to eliminate duplicates Z: 32 32.530 2.231 0.650 0.538 0.968 0.613 CB 1.580 32 residues pruned to eliminate duplicates Z: 56 38.366 2.161 0.585 0.526 0.927 0.564 CB 1.587 56 residues pruned to eliminate duplicates Z: 54 46.057 2.188 0.837 0.551 0.962 0.585 CB 1.557 54 residues pruned to eliminate duplicates Z: 25 24.470 2.181 0.539 0.511 0.917 0.458 CB 1.606 25 residues pruned to eliminate duplicates Z: 61 44.245 2.170 0.733 0.545 0.900 0.533 CB 1.614 61 residues pruned to eliminate duplicates Z: 56 45.632 2.189 0.711 0.556 0.927 0.600 CA 1.677 56 residues pruned to eliminate duplicates Z: 55 33.608 2.043 0.725 0.455 0.852 0.556 CB 1.595 55 residues pruned to eliminate duplicates Z: 37 28.272 2.125 0.563 0.496 0.917 0.528 CB 1.554 37 residues pruned to eliminate duplicates Z: 42 29.870 2.095 0.669 0.491 0.902 0.488 CB 1.491 42 residues pruned to eliminate duplicates Z: 58 40.870 2.161 0.672 0.496 0.947 0.421 CB 1.587 58 residues pruned to eliminate duplicates Z: 59 41.492 2.158 0.628 0.579 0.897 0.621 CA 1.604 59 residues pruned to eliminate duplicates Z: 19 17.580 2.204 0.766 0.290 0.944 0.444 CB 1.427 19 residues pruned to eliminate duplicates Z: 57 36.022 2.133 0.598 0.516 0.911 0.571 CB 1.526 57 residues pruned to eliminate duplicates Z: 49 39.244 2.144 0.633 0.568 0.938 0.479 CB 1.616 49 residues pruned to eliminate duplicates Z: 45 31.421 2.087 0.695 0.436 0.886 0.455 CA 1.615 45 residues pruned to eliminate duplicates Z: 56 39.688 2.186 0.650 0.517 0.909 0.545 CA 1.605 56 residues pruned to eliminate duplicates Z: 58 42.475 2.155 0.658 0.558 0.930 0.561 CB 1.600 58 residues pruned to eliminate duplicates Z: 59 31.564 2.095 0.425 0.479 0.879 0.500 CB 1.612 59 residues pruned to eliminate duplicates Z: 55 40.811 2.209 0.705 0.523 0.907 0.519 CB 1.589 55 residues pruned to eliminate duplicates Z: 18 8.513 1.834 0.494 0.303 0.706 0.353 CB 1.330 17 residues pruned to eliminate duplicates Z: 6 2.601 1.926 0.260 0.324 0.400 0.200 CA 1.454 6 residues pruned to eliminate duplicates Z: 9 7.167 2.015 0.306 0.525 0.625 0.375 CB 1.502 9 residues pruned to eliminate duplicates Z: 14 6.212 1.861 0.312 0.339 0.692 0.308 CA 1.216 14 residues pruned to eliminate duplicates Z: 15 7.567 1.915 0.199 0.309 0.714 0.286 N 1.524 15 residues pruned to eliminate duplicates Z: 10 9.004 2.017 0.264 0.487 0.778 0.556 CA 1.533 10 residues pruned to eliminate duplicates Z: 40 16.328 1.940 0.254 0.340 0.897 0.513 CA 1.427 39 residues pruned to eliminate duplicates Z: 6 3.345 1.439 0.591 0.291 0.800 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 50 16.671 1.944 0.207 0.386 0.796 0.510 CA 1.439 50 residues pruned to eliminate duplicates Z: 25 11.844 1.956 0.257 0.340 0.875 0.417 CA 1.338 25 residues pruned to eliminate duplicates Z: 13 6.240 1.934 0.099 0.266 0.833 0.417 CA 1.328 13 residues pruned to eliminate duplicates Z: 27 11.917 1.965 0.206 0.330 0.846 0.500 CA 1.405 27 residues pruned to eliminate duplicates Z: 37 17.829 1.992 0.251 0.395 0.889 0.556 CB 1.498 37 residues pruned to eliminate duplicates Z: 36 14.910 1.968 0.203 0.360 0.857 0.400 CA 1.444 36 residues pruned to eliminate duplicates Z: 24 13.580 1.991 0.274 0.350 0.957 0.522 CA 1.374 24 residues pruned to eliminate duplicates Z: 18 8.840 1.892 0.384 0.329 0.824 0.235 CA 1.199 18 residues pruned to eliminate duplicates Z: 24 14.768 2.032 0.266 0.360 0.913 0.565 CB 1.524 24 residues pruned to eliminate duplicates Z: 22 16.141 2.001 0.280 0.412 1.000 0.571 CB 1.508 22 residues pruned to eliminate duplicates Z: 19 13.952 2.027 0.253 0.358 1.000 0.500 CA 1.509 19 residues pruned to eliminate duplicates Z: 29 13.686 1.891 0.268 0.337 0.929 0.536 CB 1.387 29 residues pruned to eliminate duplicates Z: 32 13.950 1.929 0.281 0.335 0.935 0.452 CA 1.298 32 residues pruned to eliminate duplicates Z: 35 14.136 1.881 0.329 0.324 0.853 0.471 CA 1.379 35 residues pruned to eliminate duplicates Z: 33 15.995 1.992 0.206 0.385 0.906 0.438 CA 1.468 33 residues pruned to eliminate duplicates Z: 20 13.858 1.914 0.290 0.384 1.000 0.737 CB 1.456 20 residues pruned to eliminate duplicates Z: 25 12.968 1.942 0.318 0.305 0.917 0.542 CB 1.402 25 residues pruned to eliminate duplicates Z: 39 17.388 1.948 0.304 0.327 0.895 0.553 CB 1.500 39 residues pruned to eliminate duplicates Z: 41 14.092 1.786 0.282 0.349 0.875 0.475 CA 1.310 41 residues pruned to eliminate duplicates Z: 33 15.651 1.937 0.316 0.351 0.906 0.531 CA 1.407 33 residues pruned to eliminate duplicates Z: 31 16.694 1.978 0.334 0.356 0.933 0.600 CB 1.447 31 residues pruned to eliminate duplicates Z: 31 15.008 1.939 0.220 0.365 0.967 0.533 CB 1.384 31 residues pruned to eliminate duplicates Z: 32 15.161 1.894 0.459 0.354 0.839 0.548 CB 1.376 32 residues pruned to eliminate duplicates Z: 45 16.537 1.908 0.347 0.323 0.841 0.432 CB 1.401 44 residues pruned to eliminate duplicates 6 1.242 1.571 0.628 0.483 0.800 0.400 CB 0.276 ? Z: 6 3.856 1.584 0.364 0.538 0.600 0.400 C 1.281 Z: 6 3.132 1.400 0.449 0.468 1.000 0.800 CB 0.713 Z: 14 8.054 1.761 0.285 0.438 0.769 0.385 CA 1.369 26 residues pruned to eliminate duplicates Z: 9 13.952 1.930 0.695 0.539 0.875 0.500 CA 1.659 9 residues pruned to eliminate duplicates Z: 7 5.192 1.484 0.679 0.453 1.000 0.667 CA 0.892 Z: 32 28.019 2.125 0.507 0.642 0.903 0.742 CB 1.524 32 residues pruned to eliminate duplicates Z: 34 25.861 1.991 0.532 0.567 0.879 0.576 CA 1.573 34 residues pruned to eliminate duplicates Z: 29 27.952 2.054 0.522 0.672 0.929 0.679 CA 1.553 29 residues pruned to eliminate duplicates Z: 59 37.098 2.073 0.656 0.595 0.879 0.586 CA 1.474 59 residues pruned to eliminate duplicates Z: 36 23.098 2.021 0.567 0.450 0.857 0.543 CA 1.515 36 residues pruned to eliminate duplicates Z: 47 35.842 2.075 0.585 0.688 0.935 0.587 CA 1.446 47 residues pruned to eliminate duplicates Z: 45 35.410 2.030 0.658 0.706 0.909 0.500 CB 1.447 39 residues pruned to eliminate duplicates Z: 19 26.485 2.050 0.646 0.872 0.944 0.722 CB 1.427 19 residues pruned to eliminate duplicates Z: 27 33.427 2.106 0.613 0.739 0.962 0.654 CB 1.620 27 residues pruned to eliminate duplicates Z: 28 28.580 2.077 0.514 0.732 0.889 0.593 CB 1.597 28 residues pruned to eliminate duplicates Z: 40 33.574 2.123 0.620 0.637 0.872 0.564 CB 1.577 40 residues pruned to eliminate duplicates Z: 30 24.772 1.986 0.625 0.662 0.931 0.483 CB 1.318 30 residues pruned to eliminate duplicates Z: 27 29.729 2.101 0.596 0.714 0.923 0.615 CB 1.552 27 residues pruned to eliminate duplicates Z: 48 28.078 1.990 0.617 0.501 0.830 0.489 CB 1.532 48 residues pruned to eliminate duplicates Z: 29 27.729 2.074 0.663 0.647 0.929 0.607 CB 1.427 29 residues pruned to eliminate duplicates Z: 30 32.666 2.085 0.713 0.663 0.931 0.552 CB 1.569 30 residues pruned to eliminate duplicates Z: 40 29.563 2.070 0.565 0.592 0.872 0.641 CA 1.534 40 residues pruned to eliminate duplicates Z: 34 33.266 2.048 0.703 0.674 0.939 0.758 CB 1.505 34 residues pruned to eliminate duplicates Z: 47 37.449 2.032 0.572 0.700 0.935 0.609 CB 1.541 45 residues pruned to eliminate duplicates Z: 16 19.540 1.916 0.953 0.831 0.800 0.600 CB 1.266 16 residues pruned to eliminate duplicates Z: 61 30.347 2.039 0.560 0.553 0.817 0.533 CA 1.432 46 residues pruned to eliminate duplicates Z: 16 14.284 1.752 0.570 0.724 0.867 0.333 CB 1.264 16 residues pruned to eliminate duplicates Z: 20 16.083 1.923 0.584 0.532 0.842 0.474 CA 1.394 20 residues pruned to eliminate duplicates Z: 48 38.780 2.015 0.735 0.685 1.000 0.553 CB 1.365 60 residues pruned to eliminate duplicates Z: 8 5.581 1.543 0.652 0.507 0.857 0.429 CA 0.959 8 residues pruned to eliminate duplicates Z: 34 26.962 2.023 0.881 0.521 0.909 0.364 CA 1.329 34 residues pruned to eliminate duplicates Z: 62 41.090 2.045 0.790 0.613 0.885 0.525 CB 1.459 62 residues pruned to eliminate duplicates Z: 63 38.445 2.057 0.687 0.631 0.855 0.565 CB 1.455 13 residues pruned to eliminate duplicates Z: 10 9.339 1.904 0.253 0.853 0.889 0.667 CA 1.085 10 residues pruned to eliminate duplicates Z: 46 33.419 2.037 0.590 0.691 0.911 0.533 CB 1.417 46 residues pruned to eliminate duplicates Z: 8 7.055 1.766 0.285 0.769 0.857 0.857 CA 1.080 8 residues pruned to eliminate duplicates Z: 42 34.265 2.037 0.596 0.712 0.902 0.634 CB 1.506 42 residues pruned to eliminate duplicates Z: 21 16.113 1.959 0.507 0.649 0.950 0.500 CA 1.118 21 residues pruned to eliminate duplicates Z: 59 28.852 2.059 0.642 0.518 0.828 0.500 CA 1.330 59 residues pruned to eliminate duplicates Z: 62 45.593 2.096 0.737 0.641 0.934 0.492 CB 1.505 63 residues pruned to eliminate duplicates Z: 14 14.554 1.864 0.697 0.694 1.000 0.385 CA 1.070 14 residues pruned to eliminate duplicates Z: 63 36.624 2.081 0.592 0.602 0.887 0.613 CA 1.436 63 residues pruned to eliminate duplicates Z: 54 32.990 2.047 0.675 0.587 0.887 0.604 CA 1.371 54 residues pruned to eliminate duplicates Z: 63 37.748 2.089 0.631 0.587 0.903 0.645 CA 1.433 63 residues pruned to eliminate duplicates Z: 33 21.535 2.080 0.645 0.557 0.812 0.438 CA 1.296 33 residues pruned to eliminate duplicates Z: 63 37.940 2.045 0.706 0.602 0.855 0.468 CA 1.466 49 residues pruned to eliminate duplicates 6 1.892 1.547 0.152 0.213 0.600 0.200 N 1.110 ? Z: 7 6.389 1.615 0.580 0.511 1.000 0.500 CA 1.011 7 residues pruned to eliminate duplicates Z: 18 15.759 1.879 0.581 0.561 0.882 0.471 CB 1.374 18 residues pruned to eliminate duplicates Z: 7 5.723 1.495 0.525 0.470 1.000 0.500 C 1.056 7 residues pruned to eliminate duplicates Z: 12 9.038 1.781 0.424 0.533 0.909 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 9 6.198 1.894 0.323 0.413 0.750 0.500 CB 1.277 9 residues pruned to eliminate duplicates Z: 11 7.276 1.714 0.443 0.462 0.900 0.500 CA 1.075 11 residues pruned to eliminate duplicates Z: 44 19.551 1.961 0.313 0.471 0.907 0.581 CA 1.316 44 residues pruned to eliminate duplicates Z: 29 16.755 2.000 0.439 0.378 0.929 0.536 CA 1.348 29 residues pruned to eliminate duplicates Z: 52 20.473 1.881 0.354 0.417 0.863 0.569 CA 1.422 52 residues pruned to eliminate duplicates Z: 30 16.066 1.992 0.396 0.416 0.862 0.621 CB 1.358 30 residues pruned to eliminate duplicates Z: 32 18.309 1.928 0.378 0.426 0.935 0.484 CA 1.428 32 residues pruned to eliminate duplicates Z: 31 17.103 1.998 0.353 0.415 0.900 0.533 CB 1.402 31 residues pruned to eliminate duplicates Z: 29 15.452 1.912 0.364 0.358 0.964 0.571 CB 1.352 29 residues pruned to eliminate duplicates Z: 26 15.377 2.037 0.550 0.316 0.840 0.320 CA 1.422 26 residues pruned to eliminate duplicates Z: 33 17.830 1.975 0.491 0.383 0.875 0.406 CB 1.385 33 residues pruned to eliminate duplicates Z: 46 20.494 1.949 0.385 0.447 0.889 0.511 CB 1.344 46 residues pruned to eliminate duplicates Z: 23 13.846 1.991 0.421 0.327 0.909 0.545 CA 1.387 23 residues pruned to eliminate duplicates Z: 31 20.036 1.998 0.478 0.447 0.900 0.567 CA 1.453 31 residues pruned to eliminate duplicates Z: 28 17.835 2.020 0.361 0.403 1.000 0.704 CA 1.383 28 residues pruned to eliminate duplicates Z: 22 12.560 1.982 0.388 0.320 0.952 0.429 CA 1.276 22 residues pruned to eliminate duplicates Z: 42 16.749 1.968 0.285 0.394 0.854 0.561 CA 1.356 42 residues pruned to eliminate duplicates Z: 16 11.573 1.930 0.363 0.408 0.867 0.467 CA 1.443 16 residues pruned to eliminate duplicates Z: 25 14.744 1.950 0.460 0.401 0.875 0.458 CA 1.341 25 residues pruned to eliminate duplicates Z: 40 17.067 2.011 0.227 0.423 0.897 0.615 CA 1.337 40 residues pruned to eliminate duplicates Z: 28 16.979 2.015 0.332 0.454 0.963 0.556 CA 1.325 28 residues pruned to eliminate duplicates Z: 30 15.536 1.951 0.352 0.375 0.897 0.552 CA 1.395 30 residues pruned to eliminate duplicates Z: 23 15.068 2.013 0.329 0.366 0.955 0.500 CA 1.453 23 residues pruned to eliminate duplicates Z: 37 17.704 1.904 0.360 0.466 0.889 0.556 CA 1.326 37 residues pruned to eliminate duplicates Z: 31 14.573 1.910 0.430 0.341 0.900 0.467 CA 1.287 31 residues pruned to eliminate duplicates Z: 39 19.033 1.922 0.504 0.445 0.868 0.474 CA 1.301 39 residues pruned to eliminate duplicates Z: 30 14.116 1.949 0.329 0.367 0.862 0.517 CA 1.355 30 residues pruned to eliminate duplicates Z: 10 6.784 1.959 0.144 0.463 0.889 0.444 CA 1.179 10 residues pruned to eliminate duplicates Z: 29 16.466 1.963 0.344 0.481 0.893 0.500 CA 1.347 29 residues pruned to eliminate duplicates Z: 11 13.598 2.021 0.465 0.591 1.000 0.600 CA 1.331 11 residues pruned to eliminate duplicates Z: 22 8.309 1.701 0.492 0.305 0.810 0.286 CA 1.095 22 residues pruned to eliminate duplicates Z: 11 10.088 1.990 0.226 0.640 0.900 0.600 CA 1.275 11 residues pruned to eliminate duplicates Z: 11 8.125 1.881 0.065 0.596 0.900 0.600 CA 1.300 11 residues pruned to eliminate duplicates Z: 9 8.283 1.859 0.178 0.741 1.000 0.750 CA 1.077 9 residues pruned to eliminate duplicates Z: 8 13.045 2.040 0.361 0.860 1.000 0.857 CA 1.305 8 residues pruned to eliminate duplicates Z: 14 11.896 1.812 0.409 0.626 0.923 0.538 CA 1.243 14 residues pruned to eliminate duplicates Z: 11 18.913 1.957 0.600 0.708 1.000 0.300 CB 1.582 11 residues pruned to eliminate duplicates Z: 19 8.515 1.683 0.449 0.582 0.611 0.167 CA 1.244 19 residues pruned to eliminate duplicates Z: 11 6.295 1.956 0.276 0.589 0.600 0.200 CA 1.221 11 residues pruned to eliminate duplicates Z: 68 31.529 2.036 0.553 0.452 0.851 0.448 CA 1.504 68 residues pruned to eliminate duplicates Z: 23 25.029 2.012 0.857 0.585 0.864 0.500 CA 1.524 23 residues pruned to eliminate duplicates Z: 43 32.189 2.082 0.477 0.536 0.976 0.500 CA 1.596 43 residues pruned to eliminate duplicates Z: 24 25.918 1.959 0.815 0.586 0.913 0.522 CA 1.533 24 residues pruned to eliminate duplicates Z: 26 18.184 1.937 0.520 0.669 0.760 0.440 CA 1.390 26 residues pruned to eliminate duplicates Z: 20 26.665 2.064 0.876 0.607 0.895 0.368 CB 1.594 20 residues pruned to eliminate duplicates Z: 37 22.727 1.847 0.441 0.580 0.889 0.333 CA 1.482 37 residues pruned to eliminate duplicates Z: 44 27.906 2.046 0.559 0.520 0.860 0.442 CA 1.521 44 residues pruned to eliminate duplicates Z: 29 23.088 2.056 0.635 0.481 0.821 0.393 CA 1.611 29 residues pruned to eliminate duplicates Z: 39 22.787 2.031 0.486 0.427 0.868 0.342 CB 1.521 39 residues pruned to eliminate duplicates Z: 38 31.749 2.139 0.614 0.520 0.892 0.541 CA 1.662 38 residues pruned to eliminate duplicates Z: 25 24.746 1.931 0.939 0.556 0.833 0.458 CA 1.533 25 residues pruned to eliminate duplicates Z: 31 23.936 2.068 0.563 0.567 0.833 0.467 CA 1.520 31 residues pruned to eliminate duplicates Z: 28 16.318 1.934 0.430 0.383 0.852 0.296 CB 1.509 28 residues pruned to eliminate duplicates Z: 30 18.529 1.990 0.465 0.432 0.862 0.448 CB 1.468 30 residues pruned to eliminate duplicates Z: 39 25.053 2.053 0.482 0.525 0.895 0.474 CA 1.456 39 residues pruned to eliminate duplicates Z: 38 24.343 2.086 0.448 0.510 0.892 0.514 CA 1.470 38 residues pruned to eliminate duplicates Z: 45 29.461 2.026 0.605 0.461 0.886 0.295 CA 1.604 45 residues pruned to eliminate duplicates Z: 35 25.050 2.039 0.650 0.465 0.824 0.353 CA 1.607 35 residues pruned to eliminate duplicates Z: 32 22.219 2.120 0.683 0.410 0.806 0.387 CA 1.524 32 residues pruned to eliminate duplicates Z: 19 14.102 2.106 0.420 0.340 0.833 0.500 CB 1.589 19 residues pruned to eliminate duplicates Z: 41 29.747 2.050 0.545 0.490 0.900 0.400 CA 1.665 41 residues pruned to eliminate duplicates Z: 45 31.723 2.083 0.555 0.512 0.932 0.477 CA 1.566 45 residues pruned to eliminate duplicates Z: 19 15.785 2.119 0.391 0.367 0.889 0.444 CA 1.638 19 residues pruned to eliminate duplicates Z: 20 12.979 2.021 0.681 0.314 0.842 0.579 CA 1.279 20 residues pruned to eliminate duplicates Z: 17 12.547 2.072 0.624 0.310 0.812 0.438 CA 1.417 17 residues pruned to eliminate duplicates Z: 23 13.135 1.972 0.521 0.306 0.818 0.409 CB 1.415 23 residues pruned to eliminate duplicates Z: 39 26.423 2.096 0.661 0.440 0.816 0.395 CA 1.606 39 residues pruned to eliminate duplicates Z: 23 17.796 2.124 0.564 0.355 0.909 0.500 CA 1.470 23 residues pruned to eliminate duplicates Z: 22 13.218 2.048 0.467 0.337 0.714 0.429 CA 1.607 22 residues pruned to eliminate duplicates Z: 17 13.347 2.142 0.516 0.322 0.812 0.500 CA 1.539 17 residues pruned to eliminate duplicates Z: 53 24.252 2.035 0.522 0.416 0.769 0.327 CA 1.541 53 residues pruned to eliminate duplicates Z: 38 28.537 2.128 0.585 0.461 0.919 0.270 CA 1.576 38 residues pruned to eliminate duplicates Z: 45 35.724 2.123 0.640 0.554 0.932 0.409 CA 1.576 45 residues pruned to eliminate duplicates Z: 43 30.006 2.099 0.611 0.532 0.833 0.381 CA 1.592 43 residues pruned to eliminate duplicates Z: 47 26.272 2.040 0.527 0.508 0.870 0.500 CA 1.419 47 residues pruned to eliminate duplicates Z: 44 27.397 2.055 0.575 0.502 0.860 0.442 CA 1.497 44 residues pruned to eliminate duplicates Z: 23 16.424 1.977 0.410 0.443 0.864 0.500 CB 1.543 23 residues pruned to eliminate duplicates 6 1.893 1.371 0.361 0.163 0.600 0.200 CA 1.142 ? Z: 7 8.310 1.860 0.756 0.468 1.000 1.000 CA 1.073 7 residues pruned to eliminate duplicates Z: 22 12.808 1.848 0.473 0.417 0.905 0.524 CB 1.238 22 residues pruned to eliminate duplicates Z: 16 21.313 2.063 0.604 0.518 1.000 0.600 CB 1.633 22 residues pruned to eliminate duplicates Z: 7 7.396 1.717 0.730 0.411 0.833 0.500 CA 1.340 7 residues pruned to eliminate duplicates Z: 18 17.965 1.969 0.538 0.517 0.941 0.706 CB 1.503 18 residues pruned to eliminate duplicates Z: 18 18.306 1.965 0.567 0.508 0.941 0.529 N 1.519 18 residues pruned to eliminate duplicates Z: 7 2.941 1.515 0.063 0.272 0.833 0.167 CA 1.159 7 residues pruned to eliminate duplicates Z: 22 15.831 1.878 0.465 0.449 0.905 0.333 CB 1.462 22 residues pruned to eliminate duplicates Z: 6 5.051 1.697 0.605 0.422 0.800 0.400 CA 1.125 6 residues pruned to eliminate duplicates Z: 12 11.981 2.009 0.526 0.463 0.818 0.545 CB 1.495 12 residues pruned to eliminate duplicates Z: 22 12.381 2.020 0.413 0.415 0.714 0.429 CB 1.448 22 residues pruned to eliminate duplicates Z: 13 10.780 1.955 0.386 0.452 0.917 0.583 CB 1.316 13 residues pruned to eliminate duplicates Z: 12 12.431 1.977 0.485 0.483 0.909 0.545 CB 1.429 12 residues pruned to eliminate duplicates Z: 11 11.653 2.066 0.544 0.472 0.800 0.500 CB 1.485 11 residues pruned to eliminate duplicates Z: 12 11.247 2.020 0.339 0.469 0.909 0.455 CB 1.423 12 residues pruned to eliminate duplicates Z: 12 8.946 1.836 0.389 0.488 0.909 0.545 CB 1.178 12 residues pruned to eliminate duplicates Z: 37 18.056 1.919 0.443 0.395 0.861 0.472 CB 1.410 30 residues pruned to eliminate duplicates Z: 9 7.404 2.092 0.147 0.550 0.625 0.500 CB 1.662 9 residues pruned to eliminate duplicates Z: 29 11.583 1.808 0.359 0.349 0.750 0.321 CB 1.400 29 residues pruned to eliminate duplicates Z: 16 5.593 1.700 0.071 0.258 0.733 0.333 CB 1.426 16 residues pruned to eliminate duplicates Z: 26 14.162 2.016 0.395 0.411 0.800 0.600 CA 1.381 25 residues pruned to eliminate duplicates Z: 9 5.684 1.706 -0.001 0.658 0.875 0.625 CA 1.164 9 residues pruned to eliminate duplicates Z: 25 15.070 2.044 0.341 0.414 0.833 0.583 CB 1.474 25 residues pruned to eliminate duplicates Z: 37 18.396 1.968 0.371 0.414 0.889 0.500 CA 1.397 36 residues pruned to eliminate duplicates Z: 7 6.264 1.964 -0.070 0.420 1.000 0.500 CB 1.521 7 residues pruned to eliminate duplicates Z: 24 14.146 2.037 0.356 0.408 0.870 0.609 CA 1.352 24 residues pruned to eliminate duplicates Z: 22 16.313 2.066 0.394 0.435 0.952 0.714 CA 1.388 25 residues pruned to eliminate duplicates Z: 6 3.672 1.564 0.529 0.264 0.800 0.600 CB 1.124 6 residues pruned to eliminate duplicates Z: 23 12.342 2.017 0.324 0.429 0.818 0.636 CA 1.296 23 residues pruned to eliminate duplicates Z: 9 5.275 2.142 0.441 0.259 0.625 0.375 CA 1.274 8 residues pruned to eliminate duplicates Z: 7 3.278 1.650 0.369 0.265 0.833 0.000 CA 0.929 7 residues pruned to eliminate duplicates Z: 22 12.264 1.999 0.371 0.369 0.857 0.667 CA 1.310 22 residues pruned to eliminate duplicates Z: 25 15.835 1.999 0.555 0.388 0.833 0.542 CA 1.405 24 residues pruned to eliminate duplicates 582 residues left after pruning, divided into chains as follows: A: 15 B: 13 C: 6 D: 9 E: 8 F: 7 G: 9 H: 10 I: 10 J: 9 K: 55 L: 46 M: 7 N: 29 O: 58 P: 51 Q: 61 R: 97 S: 61 T: 8 U: 13 CC for partial structure against native data = 20.60 % ------------------------------------------------------------------------------ Global autotracing cycle 27 = 0.300, Contrast = 0.396, Connect. = 0.682 for dens.mod. cycle 1 = 0.300, Contrast = 0.458, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.532, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.559, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.561, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.565, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6830 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1230 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 24.445 1.993 0.807 0.855 1.000 0.700 CA 1.583 B: 11 23.057 2.175 0.429 0.860 1.000 0.700 CA 1.725 C: 13 21.096 2.086 0.717 0.826 0.833 0.750 CB 1.539 11 residues pruned to eliminate duplicates D: 9 18.265 2.132 0.599 0.714 1.000 0.875 CA 1.561 E: 9 7.742 2.007 0.133 0.514 1.000 0.750 CB 1.188 F: 11 15.678 2.046 0.536 0.817 0.700 0.600 CA 1.712 11 residues pruned to eliminate duplicates G: 14 21.301 2.019 0.736 0.816 0.846 0.615 CA 1.514 14 residues pruned to eliminate duplicates H: 19 15.948 2.234 0.705 0.315 0.833 0.389 CA 1.454 I: 15 22.179 2.110 0.508 0.857 0.929 0.786 CB 1.478 12 residues pruned to eliminate duplicates J: 9 18.078 2.145 0.722 0.806 0.875 0.875 CB 1.514 9 residues pruned to eliminate duplicates K: 13 13.299 2.001 0.355 0.591 1.000 0.583 CA 1.298 9 residues pruned to eliminate duplicates L: 11 5.252 1.783 0.155 0.331 0.800 0.500 CB 1.214 M: 14 22.321 1.927 0.660 0.821 1.000 0.462 C 1.465 11 residues pruned to eliminate duplicates N: 8 12.937 1.912 0.404 0.839 0.857 0.429 CB 1.587 O: 25 14.631 1.923 0.439 0.413 0.917 0.625 CB 1.290 P: 12 6.326 1.752 0.088 0.438 0.818 0.364 CB 1.304 11 residues pruned to eliminate duplicates Q: 23 19.391 2.054 0.495 0.525 0.955 0.591 CA 1.375 R: 8 9.296 1.957 -0.003 0.853 1.000 0.857 CA 1.331 S: 10 8.037 1.506 0.609 0.796 0.889 0.667 CA 0.960 T: 19 9.834 1.813 0.390 0.488 0.778 0.389 CA 1.197 14 residues pruned to eliminate duplicates U: 6 6.523 1.705 0.408 0.713 0.800 0.800 CA 1.253 4 residues pruned to eliminate duplicates V: 9 7.437 1.836 -0.096 0.747 0.875 0.375 CA 1.451 8 residues pruned to eliminate duplicates W: 7 9.129 1.772 0.423 0.827 0.833 0.500 CA 1.337 8 residues pruned to eliminate duplicates X: 16 8.787 1.896 0.138 0.478 0.867 0.667 CB 1.241 Y: 7 9.697 1.883 0.745 0.486 0.833 0.500 CB 1.467 Z: 9 15.364 1.900 0.348 0.782 1.000 0.500 CB 1.656 8 residues pruned to eliminate duplicates Z: 36 20.292 2.043 0.276 0.402 0.886 0.543 CA 1.648 Z: 10 6.586 1.847 0.013 0.541 0.778 0.778 CA 1.449 7 residues pruned to eliminate duplicates Z: 15 32.731 2.203 0.718 0.908 1.000 0.857 CA 1.641 17 residues pruned to eliminate duplicates Z: 20 21.932 2.039 0.257 0.890 1.000 0.842 CB 1.413 Z: 17 14.816 1.894 0.682 0.461 0.875 0.500 CB 1.383 7 residues pruned to eliminate duplicates Z: 19 10.210 1.791 0.535 0.340 0.778 0.444 CB 1.339 19 residues pruned to eliminate duplicates Z: 13 25.627 2.164 0.474 0.905 1.000 1.000 CB 1.651 13 residues pruned to eliminate duplicates Z: 17 27.128 2.175 0.603 0.886 0.938 0.500 CB 1.497 17 residues pruned to eliminate duplicates Z: 28 21.710 2.140 0.595 0.468 0.852 0.704 CA 1.484 5 residues pruned to eliminate duplicates Z: 18 26.377 2.102 0.498 0.851 1.000 0.765 CB 1.504 18 residues pruned to eliminate duplicates Z: 13 14.801 2.015 0.398 0.526 0.833 0.583 CA 1.773 13 residues pruned to eliminate duplicates Z: 32 18.205 1.941 0.446 0.404 0.903 0.581 CA 1.428 25 residues pruned to eliminate duplicates Z: 15 5.907 1.889 0.073 0.330 0.714 0.500 CB 1.314 15 residues pruned to eliminate duplicates Z: 14 15.608 2.074 0.164 0.852 0.923 0.615 CB 1.438 Z: 9 13.422 1.857 0.598 0.782 0.875 0.500 CB 1.426 9 residues pruned to eliminate duplicates Z: 9 9.654 1.889 0.043 0.772 0.875 0.750 CA 1.556 9 residues pruned to eliminate duplicates Z: 8 3.916 1.873 -0.014 0.312 0.857 0.429 CB 1.151 8 residues pruned to eliminate duplicates Z: 16 18.159 2.013 0.788 0.829 0.867 0.533 CB 1.131 14 residues pruned to eliminate duplicates Z: 6 7.325 2.027 0.321 0.599 0.800 0.600 CA 1.392 Z: 17 11.502 2.000 0.723 0.342 0.812 0.438 CA 1.221 15 residues pruned to eliminate duplicates Z: 8 9.847 1.797 0.395 0.751 0.857 0.714 CB 1.385 Z: 16 9.184 1.759 0.388 0.495 0.867 0.533 CA 1.126 16 residues pruned to eliminate duplicates Z: 13 9.204 1.815 0.440 0.382 0.833 0.500 CA 1.383 Z: 14 14.962 1.908 0.605 0.534 0.923 0.615 CA 1.421 14 residues pruned to eliminate duplicates Z: 23 16.650 1.978 0.378 0.432 0.909 0.591 CB 1.537 Z: 11 21.416 2.251 0.369 0.892 1.000 0.800 CB 1.578 Z: 9 14.948 2.049 0.702 0.740 1.000 0.500 CB 1.222 10 residues pruned to eliminate duplicates Z: 11 7.201 1.866 0.656 0.315 0.700 0.500 CB 1.291 Z: 11 5.257 1.823 -0.090 0.401 0.800 0.500 CB 1.390 11 residues pruned to eliminate duplicates Z: 6 6.343 1.855 -0.049 0.790 0.800 0.600 CA 1.559 6 residues pruned to eliminate duplicates Z: 13 13.284 1.913 0.419 0.733 1.000 0.500 CB 1.146 13 residues pruned to eliminate duplicates Z: 15 9.722 2.058 0.654 0.341 0.786 0.500 CA 1.156 15 residues pruned to eliminate duplicates Z: 14 17.021 1.943 0.602 0.809 0.769 0.769 CA 1.507 14 residues pruned to eliminate duplicates Z: 38 26.458 2.037 0.691 0.477 0.865 0.405 CA 1.494 14 residues pruned to eliminate duplicates Z: 9 3.079 1.800 0.160 0.300 0.625 0.500 CB 1.043 Z: 13 8.508 1.962 0.472 0.430 0.750 0.500 CB 1.219 Z: 16 16.975 1.948 0.543 0.867 0.733 0.400 CB 1.455 16 residues pruned to eliminate duplicates Z: 33 20.826 2.128 0.644 0.360 0.844 0.406 CB 1.450 19 residues pruned to eliminate duplicates Z: 12 7.407 1.928 0.105 0.404 1.000 0.455 CA 1.160 12 residues pruned to eliminate duplicates Z: 17 20.917 2.042 0.225 0.875 0.938 0.875 CB 1.622 17 residues pruned to eliminate duplicates Z: 10 19.952 2.104 0.648 0.864 1.000 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 9 6.947 1.974 0.046 0.568 0.875 0.625 CA 1.273 9 residues pruned to eliminate duplicates Z: 20 10.236 1.869 0.341 0.328 0.842 0.526 CB 1.344 11 residues pruned to eliminate duplicates Z: 22 15.159 1.975 0.254 0.455 0.905 0.762 CB 1.547 18 residues pruned to eliminate duplicates Z: 8 3.210 1.632 0.295 0.343 0.571 0.429 CA 1.191 Z: 7 10.354 1.862 0.620 0.680 1.000 0.500 CB 1.188 Z: 32 18.932 2.011 0.304 0.396 0.968 0.484 CA 1.497 28 residues pruned to eliminate duplicates Z: 12 19.890 2.038 0.511 0.840 0.909 0.545 CA 1.599 12 residues pruned to eliminate duplicates Z: 7 7.529 2.009 0.175 0.426 1.000 0.500 CA 1.406 7 residues pruned to eliminate duplicates Z: 19 19.648 2.056 0.196 0.836 0.889 0.778 CB 1.587 19 residues pruned to eliminate duplicates Z: 17 33.058 2.127 0.906 0.935 1.000 0.750 CB 1.421 16 residues pruned to eliminate duplicates Z: 6 2.777 1.627 0.404 0.355 0.600 0.400 CB 1.060 Z: 12 24.368 2.063 0.761 0.825 1.000 0.818 CA 1.526 11 residues pruned to eliminate duplicates Z: 22 16.822 2.095 0.799 0.400 0.857 0.476 CA 1.263 30 residues pruned to eliminate duplicates Z: 11 8.733 2.024 0.033 0.637 1.000 0.600 CB 1.161 12 residues pruned to eliminate duplicates Z: 8 6.725 1.753 0.155 0.483 1.000 0.429 C 1.277 Z: 23 14.992 2.034 0.303 0.329 0.864 0.455 CB 1.685 23 residues pruned to eliminate duplicates Z: 14 7.130 1.997 0.610 0.319 0.846 0.615 CA 0.887 14 residues pruned to eliminate duplicates Z: 13 12.437 1.906 0.427 0.458 1.000 0.750 CB 1.378 Z: 15 13.651 1.938 0.244 0.881 1.000 0.929 CA 1.095 15 residues pruned to eliminate duplicates Z: 11 12.152 1.928 0.336 0.789 0.900 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 9 8.747 2.030 0.410 0.527 0.875 0.750 CB 1.202 9 residues pruned to eliminate duplicates Z: 9 9.055 1.683 0.277 0.777 0.875 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 14 15.756 2.106 0.407 0.841 0.846 0.769 CB 1.300 14 residues pruned to eliminate duplicates Z: 9 12.238 1.831 0.602 0.866 1.000 0.750 CB 1.079 9 residues pruned to eliminate duplicates Z: 18 13.433 2.052 0.337 0.383 0.882 0.471 CB 1.524 20 residues pruned to eliminate duplicates Z: 16 12.526 1.723 0.453 0.494 0.933 0.733 CA 1.393 17 residues pruned to eliminate duplicates Z: 48 40.302 2.124 0.661 0.625 0.936 0.532 CA 1.581 29 residues pruned to eliminate duplicates Z: 32 23.376 2.140 0.479 0.518 0.935 0.516 CB 1.394 33 residues pruned to eliminate duplicates Z: 17 15.228 2.004 0.106 0.922 1.000 0.875 CB 1.208 17 residues pruned to eliminate duplicates Z: 12 11.434 1.961 0.322 0.557 1.000 0.727 CA 1.259 12 residues pruned to eliminate duplicates Z: 17 4.883 1.938 0.487 0.172 0.625 0.312 CB 1.008 3 residues pruned to eliminate duplicates Z: 17 25.130 2.157 0.546 0.869 0.875 0.688 CB 1.573 17 residues pruned to eliminate duplicates Z: 17 20.995 2.020 0.457 0.878 1.000 0.875 CA 1.294 16 residues pruned to eliminate duplicates Z: 13 7.527 1.775 0.422 0.475 0.833 0.667 CB 1.059 13 residues pruned to eliminate duplicates Z: 17 19.538 2.025 0.301 0.856 0.938 0.875 CB 1.458 17 residues pruned to eliminate duplicates Z: 14 15.958 2.127 0.397 0.885 0.923 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 14 9.107 1.976 0.264 0.527 0.923 0.692 CB 1.066 15 residues pruned to eliminate duplicates Z: 11 6.248 1.801 0.185 0.333 0.900 0.500 CB 1.235 11 residues pruned to eliminate duplicates Z: 7 5.424 1.969 0.103 0.327 0.833 0.667 CB 1.480 6 residues pruned to eliminate duplicates Z: 17 33.629 2.099 0.805 0.898 0.938 0.625 CB 1.693 17 residues pruned to eliminate duplicates Z: 7 5.226 1.863 0.641 0.405 0.833 0.333 CB 0.925 9 residues pruned to eliminate duplicates Z: 7 7.456 1.835 0.156 0.667 1.000 0.667 CB 1.229 7 residues pruned to eliminate duplicates Z: 16 12.236 1.920 0.008 0.925 1.000 0.933 CB 1.146 16 residues pruned to eliminate duplicates Z: 10 11.927 1.992 0.397 0.773 0.889 0.556 CB 1.263 Z: 24 13.866 1.997 0.386 0.372 0.870 0.609 CA 1.378 Z: 13 9.108 2.175 0.574 0.336 0.750 0.583 CB 1.225 13 residues pruned to eliminate duplicates Z: 8 3.481 1.770 0.296 0.411 0.714 0.429 CB 0.881 8 residues pruned to eliminate duplicates Z: 7 4.769 1.815 1.132 0.522 0.833 0.833 CB 0.591 7 residues pruned to eliminate duplicates Z: 13 6.443 1.890 -0.042 0.396 0.750 0.583 CB 1.530 13 residues pruned to eliminate duplicates Z: 7 6.118 1.525 0.108 0.857 1.000 0.833 N 1.089 Z: 34 13.010 2.026 0.487 0.372 0.758 0.515 CB 1.139 34 residues pruned to eliminate duplicates Z: 6 3.202 1.919 0.172 0.431 1.000 0.600 CB 0.684 6 residues pruned to eliminate duplicates Z: 59 30.043 2.043 0.502 0.552 0.845 0.552 CB 1.446 37 residues pruned to eliminate duplicates Z: 6 3.829 1.625 0.141 0.484 0.800 0.600 CB 1.173 Z: 19 14.698 1.976 0.490 0.393 0.889 0.667 CA 1.483 19 residues pruned to eliminate duplicates Z: 24 9.990 1.926 0.512 0.285 0.739 0.391 CB 1.234 23 residues pruned to eliminate duplicates Z: 17 10.025 1.980 0.139 0.364 0.875 0.438 CA 1.471 17 residues pruned to eliminate duplicates Z: 15 14.288 1.962 0.695 0.670 0.857 0.643 CA 1.145 15 residues pruned to eliminate duplicates Z: 6 2.934 1.679 0.044 0.471 0.800 0.800 CB 0.963 6 residues pruned to eliminate duplicates Z: 19 22.010 2.048 0.485 0.863 0.889 0.667 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 23.963 2.043 0.467 0.887 0.889 0.556 CB 1.529 19 residues pruned to eliminate duplicates Z: 10 14.622 1.939 0.654 0.700 1.000 0.667 CA 1.266 9 residues pruned to eliminate duplicates Z: 7 2.372 1.833 -0.051 0.382 0.500 0.333 CB 1.264 Z: 19 10.817 1.889 0.218 0.510 0.833 0.556 CA 1.317 19 residues pruned to eliminate duplicates Z: 7 3.896 1.254 0.266 0.848 0.833 0.500 N 0.891 6 residues pruned to eliminate duplicates Z: 44 24.613 2.041 0.709 0.441 0.767 0.372 CA 1.490 44 residues pruned to eliminate duplicates Z: 10 10.364 2.029 0.216 0.645 1.000 0.778 CB 1.222 Z: 8 6.207 1.903 0.395 0.367 0.857 0.429 CA 1.189 8 residues pruned to eliminate duplicates Z: 17 10.992 1.987 0.395 0.288 0.938 0.688 CB 1.342 17 residues pruned to eliminate duplicates Z: 24 15.371 2.083 0.728 0.312 0.783 0.522 CA 1.402 24 residues pruned to eliminate duplicates Z: 21 22.681 2.086 0.689 0.596 0.800 0.350 CA 1.642 21 residues pruned to eliminate duplicates Z: 11 18.974 2.261 0.257 0.894 1.000 0.800 CB 1.515 13 residues pruned to eliminate duplicates Z: 9 13.546 2.027 0.380 0.724 1.000 0.500 CB 1.399 9 residues pruned to eliminate duplicates Z: 11 16.545 1.699 1.015 0.887 0.900 0.500 CB 1.224 11 residues pruned to eliminate duplicates Z: 7 10.008 2.072 0.182 0.669 0.833 0.500 CA 1.713 7 residues pruned to eliminate duplicates Z: 7 2.961 1.388 0.163 0.428 0.667 0.667 CB 1.211 Z: 12 16.708 2.135 0.191 0.861 1.000 0.818 CB 1.456 12 residues pruned to eliminate duplicates Z: 20 10.793 1.843 0.314 0.370 0.895 0.526 CB 1.313 20 residues pruned to eliminate duplicates Z: 24 28.021 2.101 0.705 0.617 0.913 0.652 CA 1.599 23 residues pruned to eliminate duplicates Z: 11 13.746 2.100 0.675 0.861 0.800 0.700 CB 1.135 11 residues pruned to eliminate duplicates Z: 14 8.763 2.025 0.193 0.538 0.923 0.846 CB 1.050 14 residues pruned to eliminate duplicates Z: 44 18.507 1.895 0.425 0.436 0.860 0.581 CA 1.298 43 residues pruned to eliminate duplicates Z: 43 18.356 1.885 0.432 0.436 0.810 0.476 CA 1.385 43 residues pruned to eliminate duplicates Z: 61 37.841 2.049 0.711 0.567 0.883 0.483 CB 1.479 67 residues pruned to eliminate duplicates Z: 13 21.971 2.180 0.410 0.897 1.000 0.833 CB 1.477 11 residues pruned to eliminate duplicates Z: 8 11.685 1.848 0.422 0.768 0.857 0.429 CB 1.546 8 residues pruned to eliminate duplicates Z: 38 16.582 1.899 0.355 0.457 0.892 0.405 CA 1.242 34 residues pruned to eliminate duplicates Z: 9 10.636 1.745 0.339 0.595 1.000 0.625 CB 1.470 Z: 8 7.332 1.693 0.610 0.343 1.000 0.571 CB 1.206 Z: 15 36.233 2.181 0.967 0.911 0.857 0.571 CA 1.866 15 residues pruned to eliminate duplicates Z: 7 6.752 1.784 0.097 0.547 1.000 0.833 N 1.345 6 residues pruned to eliminate duplicates Z: 27 24.672 2.113 0.604 0.403 0.923 0.538 CB 1.713 39 residues pruned to eliminate duplicates Z: 12 16.762 2.166 0.234 0.847 0.909 0.636 CB 1.544 12 residues pruned to eliminate duplicates Z: 12 15.569 1.955 0.646 0.524 1.000 0.636 CB 1.425 11 residues pruned to eliminate duplicates Z: 8 9.790 1.784 0.386 0.607 1.000 0.286 N 1.352 8 residues pruned to eliminate duplicates Z: 60 41.551 2.147 0.634 0.578 0.932 0.576 CB 1.534 47 residues pruned to eliminate duplicates Z: 20 20.502 1.993 0.603 0.596 0.895 0.368 CB 1.502 28 residues pruned to eliminate duplicates Z: 12 8.634 1.871 0.128 0.464 1.000 0.455 CB 1.278 Z: 7 14.411 1.962 0.748 0.868 1.000 0.833 CA 1.254 7 residues pruned to eliminate duplicates Z: 18 9.379 1.823 0.211 0.379 0.824 0.529 N 1.424 Z: 13 9.875 1.780 0.231 0.564 1.000 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 6 3.123 1.766 -0.364 0.500 1.000 0.400 CB 1.245 Z: 9 4.034 1.586 0.423 0.341 0.750 0.625 CB 1.001 Z: 16 13.218 1.990 0.258 0.547 0.933 0.533 CA 1.396 16 residues pruned to eliminate duplicates Z: 8 6.131 1.954 0.021 0.515 0.857 0.429 CA 1.335 7 residues pruned to eliminate duplicates Z: 10 16.331 1.773 0.761 0.847 1.000 0.667 CA 1.294 10 residues pruned to eliminate duplicates Z: 14 8.453 1.816 0.493 0.387 0.846 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 8 8.238 2.048 0.155 0.406 1.000 0.429 CB 1.453 8 residues pruned to eliminate duplicates Z: 22 14.831 2.170 0.618 0.268 0.905 0.571 CB 1.327 22 residues pruned to eliminate duplicates Z: 12 7.237 1.758 0.178 0.531 0.909 0.727 CA 1.124 12 residues pruned to eliminate duplicates Z: 11 10.884 1.897 0.451 0.570 0.900 0.700 CA 1.299 11 residues pruned to eliminate duplicates Z: 48 29.273 2.010 0.564 0.499 0.915 0.468 CA 1.486 47 residues pruned to eliminate duplicates Z: 9 4.551 1.636 0.579 0.214 0.750 0.500 CB 1.164 14 residues pruned to eliminate duplicates Z: 7 4.285 1.680 0.160 0.653 0.833 0.667 CB 0.934 Z: 8 15.879 2.005 0.449 0.847 1.000 0.714 CA 1.534 8 residues pruned to eliminate duplicates Z: 8 5.041 2.025 -0.094 0.495 0.857 0.571 CA 1.218 8 residues pruned to eliminate duplicates Z: 6 7.886 1.809 0.350 0.852 1.000 0.800 CA 1.068 6 residues pruned to eliminate duplicates Z: 21 10.668 1.909 0.305 0.323 0.800 0.650 CB 1.455 21 residues pruned to eliminate duplicates Z: 14 6.484 1.710 0.413 0.294 0.769 0.462 CB 1.219 6 residues pruned to eliminate duplicates Z: 12 11.479 2.066 0.607 0.389 0.818 0.545 CA 1.433 12 residues pruned to eliminate duplicates Z: 7 5.522 1.509 0.140 0.837 0.833 0.333 CB 1.176 7 residues pruned to eliminate duplicates Z: 9 10.260 1.888 0.303 0.702 0.875 0.625 C 1.402 9 residues pruned to eliminate duplicates Z: 18 23.832 2.002 0.817 0.886 0.765 0.471 CB 1.500 18 residues pruned to eliminate duplicates Z: 11 6.154 1.972 0.514 0.417 0.600 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 9 12.624 1.945 0.532 0.718 1.000 0.750 CA 1.230 9 residues pruned to eliminate duplicates Z: 11 22.851 2.146 0.872 0.827 0.800 0.700 CA 1.694 11 residues pruned to eliminate duplicates Z: 6 3.517 1.684 0.038 0.343 0.800 0.400 CA 1.335 Z: 8 4.875 1.978 0.391 0.332 0.714 0.714 CA 1.127 8 residues pruned to eliminate duplicates Z: 7 10.435 1.846 0.622 0.792 0.833 0.667 CB 1.321 7 residues pruned to eliminate duplicates Z: 15 16.624 1.990 0.555 0.510 0.857 0.500 CA 1.660 15 residues pruned to eliminate duplicates Z: 56 41.441 2.171 0.587 0.553 0.945 0.618 CB 1.630 30 residues pruned to eliminate duplicates Z: 24 11.456 1.958 0.221 0.474 0.913 0.522 CB 1.124 24 residues pruned to eliminate duplicates Z: 18 25.372 2.113 0.700 0.882 0.882 0.471 CB 1.405 18 residues pruned to eliminate duplicates Z: 13 11.760 2.096 0.424 0.482 0.750 0.667 CA 1.544 13 residues pruned to eliminate duplicates Z: 9 8.226 1.855 0.460 0.542 0.750 0.750 CB 1.375 9 residues pruned to eliminate duplicates 7 1.884 1.535 -0.193 0.348 0.833 0.500 CB 0.879 ? Z: 12 9.041 1.902 0.199 0.506 0.818 0.545 CB 1.453 12 residues pruned to eliminate duplicates Z: 40 16.395 1.977 0.367 0.421 0.795 0.513 CA 1.327 40 residues pruned to eliminate duplicates Z: 6 7.590 1.884 0.167 0.799 1.000 1.000 CB 1.189 6 residues pruned to eliminate duplicates Z: 39 27.385 2.078 0.564 0.483 0.895 0.421 CA 1.554 39 residues pruned to eliminate duplicates Z: 15 12.576 2.047 0.627 0.438 0.857 0.571 CA 1.255 15 residues pruned to eliminate duplicates Z: 56 39.219 2.131 0.737 0.529 0.927 0.618 CB 1.496 56 residues pruned to eliminate duplicates Z: 9 6.773 2.063 0.284 0.577 0.750 0.625 CB 1.119 9 residues pruned to eliminate duplicates Z: 15 10.909 1.991 0.252 0.528 0.929 0.643 CA 1.225 15 residues pruned to eliminate duplicates Z: 6 6.471 1.537 0.775 0.659 0.800 0.800 CA 1.144 6 residues pruned to eliminate duplicates Z: 21 24.446 1.929 0.402 0.925 0.950 0.650 CB 1.494 21 residues pruned to eliminate duplicates Z: 10 9.470 1.940 0.326 0.680 0.889 0.778 CB 1.170 10 residues pruned to eliminate duplicates Z: 6 8.882 1.748 0.540 0.827 0.800 0.200 N 1.391 6 residues pruned to eliminate duplicates Z: 22 21.280 2.108 0.366 0.654 0.905 0.857 CA 1.546 30 residues pruned to eliminate duplicates Z: 24 15.035 1.983 0.523 0.395 0.870 0.565 CB 1.333 24 residues pruned to eliminate duplicates Z: 12 14.386 2.080 0.560 0.812 0.909 0.545 CB 1.121 12 residues pruned to eliminate duplicates Z: 32 23.410 2.096 0.445 0.521 0.839 0.452 CA 1.622 32 residues pruned to eliminate duplicates Z: 9 7.945 1.927 0.094 0.621 0.875 0.625 CB 1.359 9 residues pruned to eliminate duplicates Z: 10 11.644 1.963 0.240 0.648 1.000 0.667 CB 1.388 10 residues pruned to eliminate duplicates Z: 13 18.182 2.120 0.349 0.881 1.000 0.917 CA 1.329 13 residues pruned to eliminate duplicates Z: 22 16.102 2.035 0.571 0.372 0.857 0.524 CA 1.471 22 residues pruned to eliminate duplicates Z: 8 6.431 1.737 0.078 0.824 1.000 0.571 CB 0.981 6 residues pruned to eliminate duplicates Z: 7 5.129 1.724 0.204 0.678 0.833 0.500 CB 1.028 Z: 34 14.195 1.887 0.433 0.428 0.818 0.485 CA 1.202 34 residues pruned to eliminate duplicates Z: 8 5.058 1.659 0.382 0.431 0.714 0.571 CA 1.254 Z: 16 6.070 1.720 0.126 0.295 0.867 0.467 CB 1.175 16 residues pruned to eliminate duplicates Z: 7 10.115 2.039 0.176 0.871 1.000 1.000 CB 1.256 7 residues pruned to eliminate duplicates Z: 8 4.359 1.845 0.287 0.263 0.714 0.429 CB 1.273 6 residues pruned to eliminate duplicates Z: 10 9.388 1.909 0.474 0.614 0.889 0.667 CB 1.123 11 residues pruned to eliminate duplicates Z: 18 23.269 2.081 0.530 0.883 0.882 0.882 CB 1.453 18 residues pruned to eliminate duplicates Z: 7 3.602 1.528 0.545 0.248 0.833 0.667 CB 0.999 5 residues pruned to eliminate duplicates Z: 14 10.549 2.096 0.710 0.347 0.769 0.462 CA 1.253 14 residues pruned to eliminate duplicates Z: 16 16.066 1.689 0.541 0.871 0.933 0.467 CA 1.246 16 residues pruned to eliminate duplicates Z: 11 15.829 2.130 0.131 0.877 1.000 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 13 14.219 1.942 0.424 0.808 0.917 0.417 CB 1.238 13 residues pruned to eliminate duplicates Z: 7 3.441 1.494 0.057 0.570 0.667 0.667 N 1.248 7 residues pruned to eliminate duplicates Z: 6 4.934 1.656 0.363 0.493 1.000 0.600 CB 0.985 7 residues pruned to eliminate duplicates Z: 33 34.552 2.121 0.708 0.573 0.969 0.562 CA 1.622 33 residues pruned to eliminate duplicates Z: 7 6.523 1.568 1.056 0.331 0.833 0.500 CB 1.193 Z: 11 15.158 1.813 0.406 0.854 1.000 0.900 CA 1.388 11 residues pruned to eliminate duplicates Z: 39 18.989 1.958 0.480 0.398 0.816 0.605 CA 1.451 39 residues pruned to eliminate duplicates Z: 58 41.710 2.213 0.565 0.561 0.947 0.421 CA 1.587 56 residues pruned to eliminate duplicates Z: 7 7.956 2.024 0.332 0.580 0.833 0.667 CA 1.339 7 residues pruned to eliminate duplicates Z: 11 9.555 1.985 0.453 0.452 0.800 0.500 CA 1.375 10 residues pruned to eliminate duplicates Z: 14 10.221 1.854 0.422 0.393 1.000 0.385 CB 1.204 14 residues pruned to eliminate duplicates Z: 24 27.575 2.108 0.813 0.578 0.957 0.696 CA 1.460 24 residues pruned to eliminate duplicates Z: 13 12.773 1.769 0.607 0.786 0.750 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 2.528 1.618 -0.051 0.501 0.667 0.667 N 1.006 Z: 6 9.524 1.889 0.717 0.463 1.000 0.600 CB 1.364 5 residues pruned to eliminate duplicates Z: 14 8.108 1.791 0.062 0.403 0.923 0.538 CA 1.418 14 residues pruned to eliminate duplicates Z: 53 37.390 2.158 0.697 0.477 0.904 0.500 CB 1.603 49 residues pruned to eliminate duplicates Z: 18 12.567 1.945 0.546 0.471 0.824 0.471 CB 1.267 18 residues pruned to eliminate duplicates Z: 14 10.421 1.833 0.589 0.493 0.923 0.538 CB 1.083 14 residues pruned to eliminate duplicates Z: 9 10.876 1.987 0.542 0.722 1.000 0.875 CB 1.027 9 residues pruned to eliminate duplicates Z: 13 17.441 2.049 0.219 0.856 0.917 0.750 CB 1.623 13 residues pruned to eliminate duplicates Z: 11 4.694 1.562 0.122 0.449 0.800 0.400 CA 1.116 11 residues pruned to eliminate duplicates Z: 22 12.683 1.959 0.296 0.431 0.905 0.476 CA 1.294 16 residues pruned to eliminate duplicates Z: 9 8.661 1.934 0.436 0.479 0.750 0.375 CB 1.502 7 residues pruned to eliminate duplicates Z: 10 10.015 2.049 0.218 0.584 0.889 0.556 CB 1.389 11 residues pruned to eliminate duplicates Z: 41 18.981 1.981 0.453 0.438 0.900 0.400 CA 1.236 41 residues pruned to eliminate duplicates Z: 19 17.698 2.048 0.011 0.814 0.944 0.778 CB 1.623 19 residues pruned to eliminate duplicates Z: 6 2.470 1.499 0.487 0.350 0.600 0.400 CB 0.972 6 residues pruned to eliminate duplicates Z: 9 5.240 1.901 0.173 0.606 1.000 0.750 CB 0.751 9 residues pruned to eliminate duplicates Z: 10 15.049 2.240 0.055 0.858 1.000 0.778 CB 1.563 10 residues pruned to eliminate duplicates Z: 40 17.987 1.941 0.375 0.421 0.821 0.513 CA 1.427 40 residues pruned to eliminate duplicates Z: 17 32.903 2.068 0.890 0.880 0.938 0.688 CA 1.627 16 residues pruned to eliminate duplicates Z: 16 12.794 2.017 0.274 0.380 0.933 0.667 CB 1.565 16 residues pruned to eliminate duplicates Z: 13 27.996 2.076 0.992 0.870 0.917 0.500 CB 1.556 13 residues pruned to eliminate duplicates Z: 7 3.582 1.520 0.348 0.399 0.833 0.500 CA 0.952 Z: 58 36.249 2.126 0.626 0.538 0.895 0.596 CB 1.496 44 residues pruned to eliminate duplicates Z: 20 13.291 1.732 0.558 0.426 0.895 0.526 CA 1.364 20 residues pruned to eliminate duplicates Z: 7 6.430 1.804 0.800 0.506 0.667 0.333 CA 1.206 5 residues pruned to eliminate duplicates Z: 12 7.429 1.908 0.538 0.360 0.818 0.545 CB 1.085 Z: 7 4.086 1.654 0.059 0.569 0.833 0.833 CB 1.068 Z: 15 32.372 2.218 0.750 0.920 1.000 0.786 CA 1.570 15 residues pruned to eliminate duplicates Z: 6 4.440 1.387 0.587 0.793 1.000 0.800 CB 0.697 6 residues pruned to eliminate duplicates Z: 6 4.212 1.824 0.027 0.517 0.800 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 43 25.980 2.178 0.389 0.498 0.881 0.643 CA 1.507 53 residues pruned to eliminate duplicates Z: 16 20.116 1.984 0.509 0.867 0.867 0.733 CA 1.464 16 residues pruned to eliminate duplicates 6 1.633 1.208 0.151 0.774 0.600 0.600 CB 0.688 ? Z: 24 15.466 2.068 0.749 0.291 0.826 0.391 CB 1.365 24 residues pruned to eliminate duplicates Z: 12 11.737 1.969 0.541 0.499 0.818 0.636 CB 1.427 12 residues pruned to eliminate duplicates Z: 7 6.780 2.018 0.139 0.649 0.667 0.333 CA 1.572 7 residues pruned to eliminate duplicates Z: 19 18.493 2.140 0.355 0.629 0.944 0.778 CB 1.409 19 residues pruned to eliminate duplicates Z: 30 15.109 2.094 0.486 0.270 0.793 0.448 CA 1.477 30 residues pruned to eliminate duplicates Z: 7 7.694 1.721 0.452 0.699 1.000 0.833 CB 1.048 7 residues pruned to eliminate duplicates Z: 9 13.190 2.217 0.287 0.864 0.750 0.625 CB 1.597 9 residues pruned to eliminate duplicates Z: 17 8.168 1.965 0.451 0.213 0.812 0.438 CB 1.236 17 residues pruned to eliminate duplicates Z: 31 11.123 1.889 0.457 0.288 0.800 0.400 CB 1.171 32 residues pruned to eliminate duplicates Z: 10 17.080 2.090 0.889 0.581 1.000 0.778 CA 1.334 10 residues pruned to eliminate duplicates Z: 13 15.162 2.149 0.310 0.866 0.917 0.750 CB 1.242 13 residues pruned to eliminate duplicates Z: 7 2.728 1.437 0.024 0.248 1.000 0.500 CB 1.011 Z: 21 8.235 1.791 0.319 0.387 0.850 0.750 CB 1.033 16 residues pruned to eliminate duplicates Z: 15 7.666 1.869 0.232 0.535 0.857 0.714 CB 1.002 15 residues pruned to eliminate duplicates Z: 8 7.022 1.737 0.325 0.785 0.714 0.429 N 1.256 8 residues pruned to eliminate duplicates Z: 7 4.225 1.355 1.140 0.387 0.833 0.500 CA 0.805 7 residues pruned to eliminate duplicates Z: 10 3.647 1.643 0.263 0.208 0.778 0.222 CA 1.064 10 residues pruned to eliminate duplicates Z: 6 4.298 1.704 0.349 0.578 0.800 0.800 CB 0.970 7 residues pruned to eliminate duplicates Z: 30 22.033 2.107 0.577 0.518 0.931 0.586 CB 1.300 30 residues pruned to eliminate duplicates Z: 10 18.384 2.176 0.526 0.633 1.000 0.889 CA 1.629 10 residues pruned to eliminate duplicates Z: 10 8.614 1.943 0.690 0.670 0.778 0.667 CA 0.961 Z: 10 6.779 1.478 0.371 0.453 0.889 0.556 CA 1.316 10 residues pruned to eliminate duplicates Z: 25 14.948 1.996 0.332 0.381 0.833 0.500 CB 1.563 25 residues pruned to eliminate duplicates Z: 9 9.417 1.860 0.189 0.583 1.000 0.625 N 1.390 9 residues pruned to eliminate duplicates Z: 23 12.224 1.901 0.328 0.373 0.818 0.545 CB 1.445 23 residues pruned to eliminate duplicates Z: 10 10.301 1.997 0.085 0.629 1.000 0.667 N 1.404 10 residues pruned to eliminate duplicates Z: 20 18.203 1.902 0.403 0.843 0.895 0.579 CB 1.302 20 residues pruned to eliminate duplicates Z: 6 8.379 1.459 0.884 0.722 1.000 0.800 C 1.116 Z: 15 9.424 1.867 0.366 0.453 0.857 0.500 CB 1.210 Z: 13 10.698 1.890 0.596 0.402 0.833 0.500 CB 1.363 13 residues pruned to eliminate duplicates Z: 27 17.677 1.905 0.498 0.460 0.923 0.538 CA 1.371 27 residues pruned to eliminate duplicates Z: 19 12.931 2.085 0.296 0.537 0.833 0.611 CA 1.305 19 residues pruned to eliminate duplicates Z: 27 20.459 2.007 0.514 0.555 0.846 0.538 CB 1.479 27 residues pruned to eliminate duplicates Z: 8 6.714 1.368 0.350 0.826 1.000 0.857 CA 1.036 Z: 12 14.109 1.939 0.402 0.534 1.000 0.909 CA 1.513 11 residues pruned to eliminate duplicates 6 1.984 1.345 0.040 0.491 0.800 0.600 CA 0.800 ? Z: 12 10.082 1.874 0.492 0.585 0.909 0.636 CB 1.102 12 residues pruned to eliminate duplicates Z: 10 9.602 1.993 -0.026 0.677 1.000 0.667 CA 1.402 10 residues pruned to eliminate duplicates Z: 10 8.863 1.851 0.414 0.640 0.889 0.667 CB 1.113 10 residues pruned to eliminate duplicates Z: 10 9.247 1.949 0.315 0.462 0.889 0.667 CB 1.407 10 residues pruned to eliminate duplicates Z: 7 5.455 1.662 0.586 0.239 1.000 0.667 CA 1.142 7 residues pruned to eliminate duplicates Z: 6 2.889 1.807 0.450 0.478 0.600 0.600 CA 0.840 9 residues pruned to eliminate duplicates Z: 6 3.178 1.233 0.564 0.474 0.800 0.400 N 0.946 Z: 11 2.543 1.353 0.265 0.341 0.700 0.400 CB 0.798 7 residues pruned to eliminate duplicates Z: 11 3.241 1.456 0.373 0.462 0.700 0.500 CB 0.761 Z: 24 15.581 1.996 0.585 0.471 0.870 0.478 CB 1.216 24 residues pruned to eliminate duplicates Z: 12 4.618 2.040 -0.061 0.406 0.636 0.545 CB 1.261 12 residues pruned to eliminate duplicates Z: 22 8.627 1.773 0.234 0.377 0.810 0.476 CA 1.212 22 residues pruned to eliminate duplicates Z: 10 9.441 1.805 0.849 0.657 0.778 0.667 CB 1.047 10 residues pruned to eliminate duplicates Z: 7 11.704 2.070 0.489 0.536 1.000 0.667 CA 1.497 7 residues pruned to eliminate duplicates Z: 8 6.958 2.023 0.479 0.397 0.714 0.429 CA 1.372 8 residues pruned to eliminate duplicates Z: 10 6.248 1.986 0.213 0.305 0.889 0.222 CA 1.209 10 residues pruned to eliminate duplicates 7 1.976 1.351 0.247 0.341 0.833 0.500 CA 0.683 ? Z: 7 3.632 1.551 0.156 0.390 0.833 0.833 CB 1.115 7 residues pruned to eliminate duplicates Z: 19 20.309 1.992 0.279 0.866 0.944 0.667 CB 1.457 19 residues pruned to eliminate duplicates Z: 20 11.949 1.747 0.420 0.504 0.789 0.474 CB 1.394 19 residues pruned to eliminate duplicates Z: 12 7.963 1.888 0.294 0.487 0.727 0.455 CA 1.369 12 residues pruned to eliminate duplicates Z: 26 18.588 1.906 0.567 0.437 0.960 0.560 CA 1.384 26 residues pruned to eliminate duplicates Z: 16 9.878 1.784 0.517 0.414 0.733 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 11 7.986 1.795 0.314 0.526 0.800 0.600 CA 1.305 11 residues pruned to eliminate duplicates Z: 9 7.849 1.626 0.511 0.515 1.000 0.875 CA 1.113 9 residues pruned to eliminate duplicates Z: 7 14.252 1.910 0.776 0.817 1.000 1.000 CB 1.303 Z: 8 11.480 1.755 0.465 0.855 0.857 0.714 CA 1.453 7 residues pruned to eliminate duplicates Z: 30 22.703 2.031 0.332 0.649 0.897 0.690 CB 1.513 30 residues pruned to eliminate duplicates Z: 23 10.564 1.984 0.562 0.346 0.636 0.455 CB 1.351 23 residues pruned to eliminate duplicates Z: 14 5.738 1.825 0.026 0.321 0.846 0.538 CB 1.224 10 residues pruned to eliminate duplicates 6 1.720 1.409 0.424 0.296 0.600 0.400 N 0.803 ? 9 1.749 1.333 0.683 0.221 0.500 0.125 C 0.765 ? Z: 9 8.435 1.989 0.471 0.356 1.000 0.625 CB 1.192 9 residues pruned to eliminate duplicates Z: 18 7.080 1.631 0.513 0.299 0.706 0.471 CB 1.234 14 residues pruned to eliminate duplicates Z: 6 3.499 1.379 0.143 0.593 1.000 0.600 CA 0.908 Z: 6 2.638 1.575 -0.209 0.444 0.800 0.400 C 1.253 4 residues pruned to eliminate duplicates Z: 16 11.760 1.864 0.724 0.818 1.000 0.400 CB 0.717 16 residues pruned to eliminate duplicates Z: 35 24.153 2.102 0.456 0.515 0.912 0.500 CA 1.461 35 residues pruned to eliminate duplicates Z: 51 25.215 1.917 0.567 0.429 0.880 0.380 CB 1.452 83 residues pruned to eliminate duplicates Z: 18 10.963 1.954 0.384 0.385 0.824 0.588 CA 1.348 18 residues pruned to eliminate duplicates Z: 6 3.080 1.284 0.361 0.771 1.000 0.600 CB 0.620 6 residues pruned to eliminate duplicates Z: 6 6.744 1.599 0.336 0.679 1.000 0.600 O 1.198 Z: 32 15.857 2.041 0.381 0.386 0.903 0.484 CB 1.262 32 residues pruned to eliminate duplicates Z: 22 15.132 2.073 0.704 0.325 0.857 0.476 CB 1.322 22 residues pruned to eliminate duplicates Z: 6 2.021 1.097 0.752 0.466 0.600 0.600 O 0.811 Z: 10 10.935 1.902 0.585 0.778 0.889 0.778 CB 1.064 10 residues pruned to eliminate duplicates Z: 27 27.768 2.043 0.639 0.603 0.923 0.615 CA 1.597 27 residues pruned to eliminate duplicates Z: 15 30.774 2.155 0.582 0.896 1.000 0.929 CB 1.728 15 residues pruned to eliminate duplicates Z: 10 3.648 1.687 0.367 0.152 0.667 0.333 CA 1.214 10 residues pruned to eliminate duplicates Z: 6 3.198 1.492 0.559 0.455 1.000 0.800 N 0.644 Z: 11 9.316 1.827 0.227 0.632 0.900 0.700 CB 1.289 11 residues pruned to eliminate duplicates Z: 9 7.030 1.784 0.498 0.545 0.875 0.500 CB 1.017 Z: 9 4.454 2.005 0.139 0.279 0.750 0.500 CA 1.180 9 residues pruned to eliminate duplicates Z: 14 4.642 1.797 0.163 0.358 0.692 0.385 CB 1.036 8 residues pruned to eliminate duplicates Z: 9 2.658 1.437 0.429 0.360 0.625 0.375 CB 0.851 Z: 6 9.693 1.749 0.855 0.669 1.000 1.000 CA 1.143 6 residues pruned to eliminate duplicates Z: 28 15.581 1.907 0.464 0.459 0.963 0.667 CB 1.163 28 residues pruned to eliminate duplicates Z: 12 3.763 1.335 0.566 0.282 0.818 0.273 CA 0.848 Z: 19 7.226 1.698 0.384 0.328 0.833 0.556 CB 1.050 19 residues pruned to eliminate duplicates Z: 17 10.101 1.870 0.537 0.318 0.750 0.562 N 1.433 Z: 12 7.581 1.647 0.553 0.424 0.909 0.636 CB 1.065 12 residues pruned to eliminate duplicates Z: 7 5.038 1.602 0.699 0.402 0.833 0.667 CB 1.006 6 1.506 1.515 0.284 0.339 0.400 0.400 CB 1.031 ? Z: 60 42.784 2.108 0.746 0.528 0.949 0.542 CA 1.551 60 residues pruned to eliminate duplicates Z: 6 2.976 1.585 0.323 0.516 0.800 0.600 CB 0.781 5 residues pruned to eliminate duplicates Z: 9 8.748 1.857 0.445 0.851 0.875 0.625 CB 0.975 Z: 9 4.954 1.864 0.322 0.314 0.750 0.500 CA 1.164 9 residues pruned to eliminate duplicates Z: 6 4.055 1.310 0.858 0.702 0.600 0.600 CA 1.032 Z: 15 11.448 2.025 0.403 0.445 0.929 0.429 CB 1.227 15 residues pruned to eliminate duplicates Z: 10 5.178 1.412 0.281 0.512 0.889 0.556 CB 1.061 Z: 55 38.294 2.168 0.558 0.563 0.944 0.611 CB 1.537 55 residues pruned to eliminate duplicates Z: 13 15.560 1.985 0.529 0.498 1.000 0.500 CB 1.483 13 residues pruned to eliminate duplicates Z: 12 9.013 2.028 0.383 0.482 0.909 0.545 CB 1.085 12 residues pruned to eliminate duplicates Z: 8 9.484 1.853 0.615 0.546 1.000 0.714 CA 1.145 8 residues pruned to eliminate duplicates Z: 17 13.979 2.092 0.368 0.410 0.938 0.750 CA 1.430 17 residues pruned to eliminate duplicates Z: 6 4.372 1.559 0.101 0.713 0.800 0.800 CB 1.175 6 residues pruned to eliminate duplicates Z: 8 2.902 1.472 -0.135 0.593 0.857 0.429 CB 0.919 Z: 12 14.076 1.907 0.434 0.581 0.909 0.727 CA 1.578 12 residues pruned to eliminate duplicates Z: 6 4.064 1.488 0.072 0.731 1.000 1.000 CB 0.926 Z: 60 41.923 2.104 0.671 0.582 0.932 0.559 CB 1.538 75 residues pruned to eliminate duplicates Z: 12 4.153 1.738 0.207 0.322 0.818 0.455 CA 0.888 12 residues pruned to eliminate duplicates Z: 9 12.772 1.958 0.402 0.711 1.000 0.750 CA 1.358 9 residues pruned to eliminate duplicates Z: 36 19.988 1.955 0.545 0.422 0.829 0.543 CA 1.464 42 residues pruned to eliminate duplicates Z: 15 10.695 1.947 0.185 0.436 0.929 0.500 CA 1.425 15 residues pruned to eliminate duplicates Z: 16 28.120 2.118 0.871 0.933 0.933 0.600 CB 1.370 16 residues pruned to eliminate duplicates Z: 12 13.184 2.094 0.636 0.849 0.818 0.455 CB 1.051 12 residues pruned to eliminate duplicates Z: 8 4.228 1.516 0.376 0.478 0.714 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 9 5.910 1.625 0.277 0.478 1.000 0.875 CB 1.029 9 residues pruned to eliminate duplicates Z: 15 15.834 1.878 0.587 0.431 1.000 0.643 CB 1.525 15 residues pruned to eliminate duplicates Z: 8 5.200 1.771 0.497 0.386 0.714 0.429 CA 1.172 8 residues pruned to eliminate duplicates Z: 7 3.907 1.648 0.158 0.519 0.833 0.500 CB 0.985 Z: 9 7.723 1.761 0.306 0.859 0.875 0.750 CA 0.999 9 residues pruned to eliminate duplicates Z: 16 16.276 1.978 0.434 0.474 0.933 0.467 CA 1.630 16 residues pruned to eliminate duplicates 6 1.385 1.539 0.080 0.100 0.600 0.400 CB 1.036 ? Z: 16 7.291 1.938 0.378 0.479 0.800 0.467 CB 0.900 16 residues pruned to eliminate duplicates Z: 6 8.414 1.717 0.460 0.853 1.000 0.600 CB 1.110 Z: 59 38.629 2.163 0.601 0.571 0.897 0.621 CB 1.526 59 residues pruned to eliminate duplicates Z: 8 10.467 1.715 0.388 0.846 0.857 0.714 N 1.440 8 residues pruned to eliminate duplicates Z: 7 7.112 1.850 0.196 0.537 1.000 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 6 2.680 1.524 -0.280 0.487 1.000 0.600 C 1.106 Z: 9 4.668 1.581 0.266 0.322 0.750 0.625 N 1.337 Z: 7 3.701 1.563 0.743 0.360 1.000 0.500 CB 0.645 7 residues pruned to eliminate duplicates Z: 6 8.207 1.873 0.374 0.722 1.000 0.800 CA 1.166 6 residues pruned to eliminate duplicates Z: 10 4.380 1.535 -0.056 0.417 1.000 0.556 CB 1.098 11 residues pruned to eliminate duplicates Z: 19 17.895 2.178 0.403 0.550 0.944 0.611 CB 1.393 19 residues pruned to eliminate duplicates Z: 7 2.373 1.272 0.377 0.403 0.667 0.500 O 0.919 Z: 11 8.194 1.788 0.437 0.617 0.800 0.600 CA 1.129 11 residues pruned to eliminate duplicates Z: 7 4.304 1.550 0.161 0.610 1.000 0.833 C 0.880 5 residues pruned to eliminate duplicates Z: 9 4.347 1.958 0.232 0.466 0.500 0.375 CA 1.318 Z: 22 19.829 2.046 0.367 0.630 0.905 0.714 CA 1.513 22 residues pruned to eliminate duplicates Z: 26 15.355 1.958 0.577 0.435 0.800 0.480 CA 1.330 26 residues pruned to eliminate duplicates Z: 11 6.917 1.756 0.408 0.417 1.000 0.600 CB 0.964 11 residues pruned to eliminate duplicates Z: 7 5.548 1.701 0.659 0.552 1.000 0.500 CB 0.764 7 residues pruned to eliminate duplicates Z: 17 15.630 1.960 0.276 0.867 1.000 0.812 CA 1.143 17 residues pruned to eliminate duplicates Z: 20 18.145 2.040 0.561 0.497 0.895 0.632 CA 1.465 20 residues pruned to eliminate duplicates Z: 13 5.456 1.451 0.513 0.313 0.833 0.500 CB 1.059 Z: 11 4.031 1.312 0.654 0.368 0.900 0.300 CB 0.752 11 residues pruned to eliminate duplicates Z: 6 3.240 1.396 0.138 0.668 1.000 1.000 CB 0.781 Z: 8 15.565 2.092 0.569 0.800 1.000 0.714 CA 1.379 8 residues pruned to eliminate duplicates Z: 15 8.666 1.819 0.396 0.468 0.857 0.643 CA 1.099 15 residues pruned to eliminate duplicates Z: 9 6.562 1.684 0.746 0.336 0.750 0.500 CA 1.259 9 residues pruned to eliminate duplicates Z: 6 3.390 1.366 0.336 0.689 0.800 0.800 N 0.873 6 residues pruned to eliminate duplicates Z: 22 9.485 1.781 0.323 0.300 0.857 0.286 CA 1.281 22 residues pruned to eliminate duplicates Z: 27 13.997 1.970 0.206 0.331 0.923 0.538 CB 1.506 21 residues pruned to eliminate duplicates Z: 10 7.983 1.632 0.537 0.564 0.889 0.556 CB 1.122 10 residues pruned to eliminate duplicates Z: 13 9.469 1.632 0.693 0.464 0.917 0.583 CA 1.120 23 residues pruned to eliminate duplicates Z: 48 26.923 2.083 0.606 0.436 0.851 0.489 CA 1.474 39 residues pruned to eliminate duplicates Z: 7 2.998 1.554 0.379 0.248 0.833 0.500 CB 0.916 7 residues pruned to eliminate duplicates Z: 6 3.661 1.254 0.695 0.511 0.800 0.400 CB 0.952 Z: 15 13.188 1.986 0.532 0.440 0.857 0.714 CB 1.438 15 residues pruned to eliminate duplicates Z: 9 2.538 1.737 0.191 0.302 0.750 0.250 CB 0.721 Z: 15 6.116 1.916 0.327 0.141 0.786 0.357 CB 1.276 15 residues pruned to eliminate duplicates Z: 13 6.106 1.627 0.416 0.378 0.750 0.583 CB 1.163 9 residues pruned to eliminate duplicates Z: 13 10.907 1.886 0.556 0.502 0.833 0.500 CA 1.285 13 residues pruned to eliminate duplicates Z: 12 4.283 1.595 0.099 0.269 0.818 0.545 CB 1.171 Z: 11 3.812 1.568 -0.101 0.463 0.800 0.400 CB 1.110 11 residues pruned to eliminate duplicates Z: 26 13.539 1.808 0.409 0.384 0.920 0.480 CA 1.307 26 residues pruned to eliminate duplicates 6 1.736 1.523 0.150 0.445 1.000 0.400 N 0.469 ? Z: 29 22.029 2.141 0.505 0.490 0.893 0.464 CB 1.461 29 residues pruned to eliminate duplicates Z: 7 2.436 1.326 0.450 0.416 0.833 0.333 CB 0.677 Z: 6 3.463 1.179 0.873 0.452 0.800 0.600 CA 0.921 Z: 11 7.763 1.632 0.310 0.536 0.900 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 10 6.169 1.638 0.450 0.460 0.889 0.556 CB 1.014 10 residues pruned to eliminate duplicates Z: 61 41.423 2.100 0.753 0.518 0.917 0.567 CB 1.557 61 residues pruned to eliminate duplicates Z: 6 2.865 1.404 0.372 0.318 0.800 0.600 N 1.017 5 residues pruned to eliminate duplicates Z: 27 19.146 1.871 0.705 0.504 0.846 0.500 CA 1.386 27 residues pruned to eliminate duplicates Z: 25 12.781 1.953 0.296 0.430 0.833 0.625 CA 1.329 25 residues pruned to eliminate duplicates Z: 13 8.992 1.864 0.310 0.450 0.917 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 29 19.392 2.087 0.486 0.487 0.857 0.643 CA 1.397 29 residues pruned to eliminate duplicates Z: 11 6.146 1.705 0.590 0.504 0.900 0.600 CB 0.794 11 residues pruned to eliminate duplicates Z: 6 3.493 1.264 0.324 0.566 1.000 0.400 CA 0.875 6 1.680 1.326 0.196 0.263 0.600 0.200 CB 1.035 ? Z: 16 7.201 1.822 0.262 0.364 0.867 0.533 CA 1.079 16 residues pruned to eliminate duplicates Z: 8 3.387 1.474 0.432 0.412 0.571 0.571 N 1.164 Z: 21 15.477 1.983 0.253 0.562 1.000 0.700 CB 1.312 21 residues pruned to eliminate duplicates 6 1.552 1.212 0.718 0.629 1.000 0.600 CB 0.295 ? Z: 19 18.981 2.051 0.638 0.626 0.833 0.722 CB 1.419 19 residues pruned to eliminate duplicates 6 1.829 1.593 0.182 0.465 0.800 0.400 CB 0.563 ? Z: 6 2.515 1.290 0.241 0.421 0.800 0.600 CA 0.953 Z: 7 3.696 1.639 0.002 0.689 0.833 0.833 CB 0.927 Z: 19 12.549 1.881 0.480 0.405 0.833 0.611 CB 1.409 21 residues pruned to eliminate duplicates Z: 25 14.346 1.932 0.313 0.372 0.917 0.625 CA 1.445 24 residues pruned to eliminate duplicates Z: 19 22.463 1.898 0.874 0.862 0.889 0.444 CB 1.229 19 residues pruned to eliminate duplicates Z: 8 12.226 1.707 0.511 0.764 1.000 0.857 CB 1.417 8 residues pruned to eliminate duplicates Z: 8 12.051 1.824 0.605 0.748 1.000 0.571 N 1.247 6 residues pruned to eliminate duplicates Z: 7 5.653 1.743 0.394 0.377 0.833 0.667 CA 1.301 7 residues pruned to eliminate duplicates Z: 31 20.613 1.867 0.492 0.527 0.967 0.567 CA 1.360 31 residues pruned to eliminate duplicates Z: 11 3.611 1.519 0.349 0.318 0.600 0.200 CA 1.136 8 residues pruned to eliminate duplicates Z: 6 2.115 1.274 0.062 0.487 0.800 0.600 CA 0.885 6 residues pruned to eliminate duplicates Z: 6 4.187 1.323 0.409 0.571 1.000 0.200 CA 0.938 6 0.998 1.417 0.766 0.303 0.400 0.400 CB 0.555 ? Z: 7 3.386 1.491 0.335 0.359 1.000 0.500 CB 0.809 Z: 26 15.917 1.854 0.543 0.368 0.960 0.520 CB 1.336 26 residues pruned to eliminate duplicates Z: 6 3.315 1.382 0.532 0.385 1.000 0.400 C 0.791 Z: 11 6.283 1.882 -0.005 0.479 0.800 0.300 N 1.355 11 residues pruned to eliminate duplicates Z: 6 2.562 1.395 0.348 0.294 0.800 0.800 N 0.959 Z: 36 30.781 2.144 0.512 0.623 0.914 0.771 CA 1.563 28 residues pruned to eliminate duplicates Z: 15 6.674 1.595 0.259 0.473 0.857 0.571 CA 1.064 16 residues pruned to eliminate duplicates Z: 19 18.165 2.030 0.514 0.634 0.889 0.667 CB 1.381 19 residues pruned to eliminate duplicates 6 1.049 1.007 0.430 0.388 0.800 0.600 N 0.458 ? Using tripeptides from previous cycle as seeds Z: 13 11.811 2.061 0.183 0.594 0.917 0.500 CA 1.394 13 residues pruned to eliminate duplicates Z: 6 5.308 1.779 0.191 0.434 1.000 0.600 N 1.200 6 residues pruned to eliminate duplicates Z: 14 9.801 1.919 0.143 0.505 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 13 8.966 1.970 0.198 0.534 0.833 0.667 CA 1.272 13 residues pruned to eliminate duplicates Z: 14 6.634 1.901 0.012 0.501 0.769 0.692 CA 1.241 14 residues pruned to eliminate duplicates Z: 17 17.160 1.971 0.368 0.575 1.000 0.562 CA 1.480 22 residues pruned to eliminate duplicates Z: 7 3.505 1.516 0.069 0.605 0.833 0.333 CA 0.959 7 residues pruned to eliminate duplicates Z: 19 12.841 1.931 0.311 0.507 0.889 0.500 CB 1.336 19 residues pruned to eliminate duplicates Z: 6 3.312 1.760 0.068 0.443 0.800 0.600 CB 1.044 Z: 6 3.173 2.024 0.082 0.419 0.800 0.200 CB 0.882 Z: 8 4.121 1.816 0.220 0.258 0.714 0.571 CA 1.298 8 residues pruned to eliminate duplicates Z: 9 5.543 1.960 0.255 0.241 0.750 0.375 CB 1.434 7 residues pruned to eliminate duplicates Z: 6 3.627 1.529 0.544 0.271 0.800 0.600 CA 1.114 8 residues pruned to eliminate duplicates Z: 9 8.791 1.894 0.000 0.719 0.875 0.375 CB 1.539 9 residues pruned to eliminate duplicates Z: 10 9.335 1.802 0.061 0.649 1.000 0.444 CA 1.417 9 residues pruned to eliminate duplicates Z: 9 13.601 1.935 0.322 0.738 1.000 0.375 CB 1.518 9 residues pruned to eliminate duplicates Z: 71 41.614 2.129 0.552 0.533 0.914 0.529 CB 1.594 71 residues pruned to eliminate duplicates Z: 9 8.416 1.869 0.152 0.756 0.750 0.625 N 1.467 9 residues pruned to eliminate duplicates Z: 11 8.988 1.795 0.220 0.491 0.900 0.400 CA 1.454 11 residues pruned to eliminate duplicates Z: 8 4.484 1.932 0.486 0.232 0.714 0.429 CA 1.129 Z: 8 8.484 1.517 0.528 0.617 1.000 0.714 CA 1.238 8 residues pruned to eliminate duplicates Z: 9 20.300 2.163 0.733 0.750 1.000 0.625 CA 1.532 9 residues pruned to eliminate duplicates Z: 10 13.804 2.008 0.821 0.694 0.889 0.667 CB 1.186 10 residues pruned to eliminate duplicates Z: 6 3.412 1.757 0.137 0.425 1.000 0.600 CA 0.826 Z: 6 2.921 1.683 0.542 0.483 0.800 0.600 CA 0.640 6 residues pruned to eliminate duplicates Z: 11 4.337 1.823 0.725 0.220 0.800 0.200 CA 0.757 5 residues pruned to eliminate duplicates Z: 6 2.489 1.816 0.281 0.415 0.600 0.400 CA 0.871 6 residues pruned to eliminate duplicates Z: 9 5.992 1.888 0.586 0.263 1.000 0.500 CB 0.927 11 residues pruned to eliminate duplicates Z: 7 3.414 1.461 0.172 0.346 1.000 0.333 CA 0.962 7 residues pruned to eliminate duplicates Z: 13 5.559 1.678 0.521 0.301 0.917 0.250 CA 0.856 10 residues pruned to eliminate duplicates Z: 6 5.342 1.679 0.787 0.447 0.800 0.600 CB 1.051 6 residues pruned to eliminate duplicates Z: 15 8.973 1.848 0.436 0.402 0.929 0.500 CB 1.080 17 residues pruned to eliminate duplicates Z: 6 3.797 1.610 0.044 0.456 1.000 0.800 CB 1.057 6 residues pruned to eliminate duplicates Z: 10 14.804 2.054 0.470 0.762 1.000 0.667 CB 1.295 16 residues pruned to eliminate duplicates Z: 6 5.399 1.326 0.633 0.447 1.000 0.600 CB 1.177 5 residues pruned to eliminate duplicates Z: 6 4.664 1.578 0.655 0.290 1.000 0.400 N 1.011 6 residues pruned to eliminate duplicates Z: 6 3.237 1.623 -0.005 0.432 1.000 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 10 11.414 2.045 0.244 0.704 0.889 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 8 7.071 2.057 0.382 0.368 0.714 0.286 CB 1.516 8 residues pruned to eliminate duplicates Z: 28 16.319 2.086 0.366 0.332 0.815 0.593 CA 1.626 28 residues pruned to eliminate duplicates Z: 28 20.189 2.075 0.440 0.429 0.852 0.556 CA 1.643 28 residues pruned to eliminate duplicates Z: 28 17.460 2.016 0.405 0.339 0.889 0.519 CA 1.592 28 residues pruned to eliminate duplicates Z: 27 16.302 2.027 0.397 0.338 0.808 0.500 CB 1.668 27 residues pruned to eliminate duplicates Z: 6 2.558 1.356 0.475 0.274 0.800 0.400 O 0.924 6 residues pruned to eliminate duplicates Z: 30 16.697 2.019 0.392 0.359 0.897 0.517 CB 1.433 33 residues pruned to eliminate duplicates Z: 6 2.034 1.433 0.216 0.254 0.800 0.800 CA 0.866 6 residues pruned to eliminate duplicates Z: 20 15.005 2.038 0.327 0.346 0.947 0.474 CA 1.588 18 residues pruned to eliminate duplicates Z: 6 7.360 1.798 0.746 0.396 1.000 1.000 CA 1.170 6 residues pruned to eliminate duplicates Z: 10 7.892 2.000 0.458 0.477 0.889 0.667 CA 1.039 10 residues pruned to eliminate duplicates Z: 13 10.506 1.932 0.234 0.518 1.000 0.500 CA 1.250 13 residues pruned to eliminate duplicates Z: 12 7.824 1.924 0.244 0.470 1.000 0.909 CA 1.015 12 residues pruned to eliminate duplicates Z: 16 7.746 1.886 0.333 0.317 0.867 0.467 CA 1.124 16 residues pruned to eliminate duplicates Z: 19 8.185 1.832 0.361 0.314 0.833 0.556 CA 1.140 19 residues pruned to eliminate duplicates Z: 19 9.708 1.875 0.320 0.342 0.944 0.444 CA 1.163 19 residues pruned to eliminate duplicates Z: 30 15.507 1.985 0.436 0.400 0.862 0.483 CB 1.302 30 residues pruned to eliminate duplicates Z: 7 3.207 1.295 0.136 0.511 1.000 0.833 CB 0.880 7 residues pruned to eliminate duplicates Z: 6 5.101 1.895 0.069 0.580 1.000 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 17 13.428 2.075 0.513 0.461 0.875 0.500 CB 1.272 17 residues pruned to eliminate duplicates Z: 30 13.529 2.000 0.317 0.415 0.862 0.517 CB 1.210 30 residues pruned to eliminate duplicates Z: 29 16.090 2.031 0.405 0.446 0.893 0.607 CB 1.261 29 residues pruned to eliminate duplicates Z: 22 15.196 2.122 0.301 0.472 0.905 0.571 CA 1.366 22 residues pruned to eliminate duplicates Z: 26 13.396 2.004 0.286 0.428 0.840 0.480 CA 1.333 26 residues pruned to eliminate duplicates Z: 22 16.362 2.091 0.333 0.489 0.952 0.619 CB 1.360 22 residues pruned to eliminate duplicates Z: 16 12.906 2.020 0.452 0.430 0.867 0.467 CA 1.410 16 residues pruned to eliminate duplicates Z: 20 15.585 2.091 0.393 0.461 0.895 0.526 CB 1.427 20 residues pruned to eliminate duplicates Z: 26 14.954 1.951 0.454 0.512 0.880 0.680 CB 1.183 26 residues pruned to eliminate duplicates Z: 26 14.044 1.965 0.365 0.474 0.880 0.640 CB 1.222 26 residues pruned to eliminate duplicates Z: 20 18.167 2.080 0.311 0.570 1.000 0.789 CA 1.429 20 residues pruned to eliminate duplicates Z: 25 12.544 1.915 0.524 0.403 0.833 0.542 CB 1.166 25 residues pruned to eliminate duplicates Z: 26 16.888 2.059 0.414 0.527 0.880 0.600 CB 1.283 26 residues pruned to eliminate duplicates Z: 24 13.719 2.017 0.324 0.454 0.870 0.565 CB 1.291 24 residues pruned to eliminate duplicates Z: 23 17.748 2.084 0.464 0.495 0.955 0.591 CB 1.307 23 residues pruned to eliminate duplicates Z: 14 19.027 2.128 0.472 0.855 1.000 0.692 CA 1.244 14 residues pruned to eliminate duplicates Z: 28 21.547 1.974 0.485 0.566 0.926 0.630 CA 1.434 28 residues pruned to eliminate duplicates Z: 36 24.271 2.181 0.452 0.499 0.857 0.600 CA 1.514 36 residues pruned to eliminate duplicates Z: 21 23.620 2.125 0.494 0.636 0.900 0.650 CB 1.626 21 residues pruned to eliminate duplicates Z: 57 27.897 2.106 0.436 0.486 0.839 0.536 CA 1.489 33 residues pruned to eliminate duplicates Z: 14 23.848 2.200 0.636 0.844 1.000 0.769 CA 1.367 14 residues pruned to eliminate duplicates Z: 54 27.231 2.095 0.560 0.436 0.887 0.566 CB 1.378 42 residues pruned to eliminate duplicates Z: 7 4.431 1.661 0.609 0.338 1.000 0.667 CB 0.808 Z: 24 16.627 2.172 0.412 0.298 0.913 0.522 CA 1.553 31 residues pruned to eliminate duplicates Z: 12 6.981 2.118 0.321 0.298 0.909 0.455 CB 1.037 12 residues pruned to eliminate duplicates Z: 16 7.698 2.097 0.365 0.180 0.733 0.400 CA 1.393 16 residues pruned to eliminate duplicates Z: 29 17.798 2.144 0.563 0.393 0.786 0.536 CA 1.430 29 residues pruned to eliminate duplicates Z: 59 26.962 2.059 0.584 0.470 0.776 0.534 CB 1.442 69 residues pruned to eliminate duplicates Z: 6 4.977 1.719 0.764 0.482 0.800 0.400 CA 0.934 6 residues pruned to eliminate duplicates Z: 28 20.592 2.165 0.578 0.453 0.852 0.593 CB 1.428 28 residues pruned to eliminate duplicates Z: 54 30.810 2.127 0.628 0.472 0.830 0.623 CA 1.515 54 residues pruned to eliminate duplicates Z: 24 17.320 2.063 0.465 0.504 0.870 0.565 CA 1.369 24 residues pruned to eliminate duplicates Z: 21 16.220 2.176 0.491 0.489 0.800 0.500 CA 1.414 21 residues pruned to eliminate duplicates Z: 26 17.550 2.196 0.595 0.427 0.800 0.600 CB 1.352 26 residues pruned to eliminate duplicates Z: 30 19.587 2.109 0.734 0.371 0.862 0.448 CB 1.325 30 residues pruned to eliminate duplicates Z: 31 18.858 2.152 0.569 0.363 0.833 0.533 CB 1.417 31 residues pruned to eliminate duplicates Z: 23 15.173 2.216 0.536 0.286 0.864 0.455 CB 1.400 23 residues pruned to eliminate duplicates Z: 27 23.523 2.189 0.686 0.444 0.923 0.538 CB 1.434 27 residues pruned to eliminate duplicates Z: 19 17.481 2.125 0.550 0.561 0.889 0.611 CA 1.326 19 residues pruned to eliminate duplicates Z: 24 12.304 2.063 0.653 0.278 0.696 0.391 CA 1.390 24 residues pruned to eliminate duplicates Z: 45 27.142 2.159 0.593 0.432 0.795 0.591 CB 1.605 26 residues pruned to eliminate duplicates Z: 6 2.850 1.407 0.497 0.334 1.000 0.800 CA 0.726 Z: 24 19.337 2.050 0.330 0.559 0.957 0.522 CA 1.461 24 residues pruned to eliminate duplicates Z: 20 16.067 1.980 0.354 0.495 0.947 0.632 CB 1.459 20 residues pruned to eliminate duplicates Z: 45 29.018 2.164 0.540 0.453 0.909 0.636 CA 1.515 37 residues pruned to eliminate duplicates Z: 6 4.792 1.465 0.508 0.411 1.000 0.400 C 1.065 Z: 21 27.130 2.181 0.537 0.688 0.950 0.700 CB 1.604 21 residues pruned to eliminate duplicates Z: 24 22.522 2.101 0.407 0.606 0.957 0.739 CA 1.503 24 residues pruned to eliminate duplicates Z: 26 22.592 2.066 0.394 0.571 0.920 0.600 CB 1.592 26 residues pruned to eliminate duplicates Z: 34 30.140 2.196 0.616 0.520 0.879 0.545 CA 1.650 34 residues pruned to eliminate duplicates Z: 37 23.945 2.128 0.392 0.511 0.889 0.556 CA 1.499 37 residues pruned to eliminate duplicates Z: 48 28.430 2.134 0.566 0.402 0.894 0.511 CA 1.540 52 residues pruned to eliminate duplicates Z: 9 8.931 1.780 0.450 0.826 0.875 0.750 CA 1.055 Z: 8 8.003 1.919 0.300 0.799 1.000 0.714 CB 0.933 8 residues pruned to eliminate duplicates Z: 8 6.784 1.926 0.185 0.813 0.857 0.714 CB 0.999 8 residues pruned to eliminate duplicates Z: 31 17.509 2.102 0.642 0.370 0.800 0.500 CB 1.331 31 residues pruned to eliminate duplicates Z: 20 12.850 2.015 0.505 0.481 0.789 0.474 CB 1.255 20 residues pruned to eliminate duplicates Z: 9 5.580 1.723 0.685 0.263 0.750 0.250 CB 1.189 8 residues pruned to eliminate duplicates Z: 16 10.956 1.876 0.734 0.282 0.933 0.467 CB 1.192 31 residues pruned to eliminate duplicates Z: 8 6.265 1.663 0.622 0.508 0.714 0.714 CB 1.219 8 residues pruned to eliminate duplicates Z: 16 7.738 2.052 0.629 0.192 0.667 0.400 CB 1.296 16 residues pruned to eliminate duplicates Z: 7 7.884 2.021 0.751 0.405 1.000 0.667 CB 1.005 7 residues pruned to eliminate duplicates Z: 10 6.286 1.974 0.583 0.169 0.778 0.333 CB 1.288 10 residues pruned to eliminate duplicates Z: 32 11.853 1.953 0.495 0.229 0.774 0.419 CB 1.292 30 residues pruned to eliminate duplicates Z: 6 5.864 1.686 1.087 0.456 0.800 0.200 CB 0.974 6 residues pruned to eliminate duplicates Z: 23 12.811 2.027 0.503 0.282 0.864 0.409 CB 1.328 23 residues pruned to eliminate duplicates Z: 17 8.600 2.039 0.566 0.357 0.688 0.625 CB 1.143 17 residues pruned to eliminate duplicates Z: 18 9.996 1.918 0.495 0.351 0.824 0.294 CB 1.206 18 residues pruned to eliminate duplicates Z: 23 9.496 2.002 0.356 0.311 0.727 0.500 CB 1.264 23 residues pruned to eliminate duplicates Z: 21 14.710 2.013 0.742 0.351 0.850 0.550 CB 1.297 21 residues pruned to eliminate duplicates Z: 15 8.832 1.960 0.468 0.363 0.714 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 18 12.139 2.029 0.641 0.362 0.824 0.647 CB 1.246 18 residues pruned to eliminate duplicates Z: 21 12.985 2.024 0.647 0.317 0.800 0.500 CB 1.332 21 residues pruned to eliminate duplicates Z: 22 9.682 1.869 0.477 0.359 0.762 0.429 CB 1.169 23 residues pruned to eliminate duplicates Z: 7 4.874 1.651 0.301 0.394 1.000 0.500 CA 1.037 7 residues pruned to eliminate duplicates Z: 12 10.816 1.828 0.903 0.349 0.909 0.364 CA 1.215 12 residues pruned to eliminate duplicates Z: 16 10.401 1.880 0.570 0.339 0.800 0.400 CA 1.355 16 residues pruned to eliminate duplicates Z: 14 12.445 1.977 0.561 0.357 0.923 0.385 CA 1.415 14 residues pruned to eliminate duplicates Z: 12 14.435 2.012 0.674 0.419 0.909 0.364 CB 1.546 12 residues pruned to eliminate duplicates Z: 28 34.441 2.137 0.661 0.658 1.000 0.519 CA 1.613 28 residues pruned to eliminate duplicates Z: 38 37.770 2.137 0.731 0.665 0.946 0.541 CB 1.523 25 residues pruned to eliminate duplicates Z: 17 31.693 2.193 0.826 0.877 0.938 0.562 CB 1.532 17 residues pruned to eliminate duplicates Z: 47 33.697 2.119 0.542 0.549 0.935 0.478 CB 1.550 32 residues pruned to eliminate duplicates Z: 15 33.769 2.199 0.738 0.920 1.000 0.714 CB 1.663 15 residues pruned to eliminate duplicates Z: 61 39.730 2.179 0.592 0.522 0.933 0.467 CA 1.550 63 residues pruned to eliminate duplicates Z: 17 36.211 2.189 0.938 0.904 1.000 0.812 CB 1.520 17 residues pruned to eliminate duplicates Z: 29 33.109 2.116 0.754 0.632 0.929 0.571 CA 1.604 29 residues pruned to eliminate duplicates Z: 58 45.220 2.219 0.659 0.571 0.930 0.456 CA 1.635 58 residues pruned to eliminate duplicates Z: 29 30.578 2.108 0.754 0.640 0.893 0.571 CA 1.535 29 residues pruned to eliminate duplicates Z: 60 41.294 2.184 0.597 0.547 0.932 0.593 CB 1.579 53 residues pruned to eliminate duplicates Z: 18 29.786 2.120 0.766 0.761 0.941 0.588 CA 1.627 18 residues pruned to eliminate duplicates Z: 60 44.801 2.180 0.587 0.572 0.983 0.576 CB 1.601 29 residues pruned to eliminate duplicates Z: 14 19.641 1.975 0.431 0.707 1.000 0.846 CA 1.596 14 residues pruned to eliminate duplicates Z: 58 39.685 2.140 0.608 0.558 0.965 0.632 CB 1.496 58 residues pruned to eliminate duplicates Z: 43 31.558 2.091 0.639 0.490 0.905 0.524 CA 1.587 43 residues pruned to eliminate duplicates Z: 58 38.895 2.135 0.708 0.530 0.895 0.474 CB 1.533 58 residues pruned to eliminate duplicates Z: 45 33.819 2.039 0.604 0.599 0.886 0.455 CA 1.601 45 residues pruned to eliminate duplicates Z: 16 14.651 2.036 0.405 0.561 0.867 0.467 CA 1.438 16 residues pruned to eliminate duplicates Z: 58 41.402 2.163 0.718 0.511 0.947 0.614 CB 1.541 58 residues pruned to eliminate duplicates Z: 62 43.570 2.116 0.696 0.556 0.934 0.590 CB 1.575 62 residues pruned to eliminate duplicates Z: 59 45.308 2.167 0.662 0.570 0.966 0.638 CB 1.599 59 residues pruned to eliminate duplicates Z: 55 44.320 2.182 0.666 0.557 0.963 0.537 CB 1.630 55 residues pruned to eliminate duplicates Z: 57 41.835 2.177 0.700 0.546 0.911 0.571 CB 1.585 57 residues pruned to eliminate duplicates Z: 58 44.211 2.189 0.742 0.548 0.930 0.579 CB 1.576 58 residues pruned to eliminate duplicates Z: 57 45.310 2.167 0.735 0.548 0.946 0.464 CB 1.624 57 residues pruned to eliminate duplicates Z: 59 43.523 2.191 0.602 0.538 0.966 0.603 CB 1.623 59 residues pruned to eliminate duplicates Z: 60 38.535 2.132 0.609 0.535 0.915 0.610 CA 1.543 60 residues pruned to eliminate duplicates Z: 46 34.334 2.123 0.707 0.503 0.911 0.622 CB 1.546 46 residues pruned to eliminate duplicates Z: 57 43.024 2.165 0.742 0.573 0.929 0.554 CB 1.530 57 residues pruned to eliminate duplicates Z: 59 40.614 2.138 0.723 0.523 0.879 0.534 CB 1.609 59 residues pruned to eliminate duplicates Z: 56 42.492 2.194 0.597 0.546 0.927 0.618 CA 1.686 56 residues pruned to eliminate duplicates Z: 37 23.914 2.147 0.455 0.481 0.889 0.528 CB 1.463 38 residues pruned to eliminate duplicates Z: 6 2.889 1.800 0.341 0.182 0.800 0.200 CB 0.981 6 residues pruned to eliminate duplicates Z: 33 41.988 2.218 0.795 0.634 0.969 0.844 CA 1.697 33 residues pruned to eliminate duplicates Z: 58 41.307 2.189 0.570 0.530 0.947 0.596 CB 1.632 60 residues pruned to eliminate duplicates Z: 6 7.052 1.858 0.546 0.289 1.000 0.200 C 1.391 6 residues pruned to eliminate duplicates Z: 59 41.366 2.138 0.672 0.504 0.983 0.603 CB 1.541 59 residues pruned to eliminate duplicates Z: 36 33.640 2.152 0.802 0.534 0.886 0.629 CA 1.601 36 residues pruned to eliminate duplicates Z: 25 33.119 2.137 0.747 0.634 0.958 0.583 CA 1.667 25 residues pruned to eliminate duplicates Z: 30 20.838 1.921 0.578 0.555 0.828 0.621 CA 1.462 30 residues pruned to eliminate duplicates Z: 28 28.023 2.055 0.673 0.532 0.963 0.667 CA 1.579 28 residues pruned to eliminate duplicates Z: 58 39.900 2.186 0.626 0.521 0.947 0.579 CB 1.537 58 residues pruned to eliminate duplicates Z: 28 28.484 2.157 0.598 0.634 0.926 0.630 CA 1.514 28 residues pruned to eliminate duplicates Z: 58 38.833 2.178 0.645 0.495 0.895 0.561 CA 1.614 57 residues pruned to eliminate duplicates Z: 19 24.396 2.103 0.493 0.699 0.944 0.722 CB 1.617 19 residues pruned to eliminate duplicates Z: 59 41.328 2.176 0.703 0.532 0.914 0.603 CB 1.553 59 residues pruned to eliminate duplicates Z: 13 10.110 1.886 0.370 0.346 0.917 0.500 CB 1.456 9 residues pruned to eliminate duplicates Z: 6 6.674 1.809 0.581 0.400 0.800 0.200 CB 1.449 6 residues pruned to eliminate duplicates Z: 8 8.146 2.074 0.351 0.414 0.714 0.429 CB 1.683 8 residues pruned to eliminate duplicates Z: 8 6.791 2.031 0.274 0.376 0.714 0.286 CA 1.586 8 residues pruned to eliminate duplicates Z: 12 8.910 1.919 0.209 0.490 0.909 0.364 CB 1.287 12 residues pruned to eliminate duplicates Z: 20 9.988 1.958 0.100 0.397 0.895 0.316 CA 1.326 20 residues pruned to eliminate duplicates Z: 14 6.537 1.919 0.002 0.270 0.923 0.308 CA 1.327 14 residues pruned to eliminate duplicates Z: 18 10.618 2.003 0.155 0.378 0.941 0.353 CA 1.347 18 residues pruned to eliminate duplicates Z: 34 15.741 1.987 0.159 0.374 0.909 0.485 CA 1.498 34 residues pruned to eliminate duplicates Z: 34 12.216 1.868 0.277 0.328 0.848 0.515 CB 1.268 62 residues pruned to eliminate duplicates Z: 6 4.199 1.540 0.058 0.554 1.000 0.400 CB 1.093 6 residues pruned to eliminate duplicates Z: 28 13.273 1.952 0.273 0.321 0.889 0.593 CB 1.408 28 residues pruned to eliminate duplicates Z: 35 13.867 1.892 0.230 0.326 0.912 0.500 CB 1.358 35 residues pruned to eliminate duplicates Z: 19 14.902 2.057 0.305 0.443 0.944 0.778 CB 1.470 19 residues pruned to eliminate duplicates Z: 32 20.722 2.035 0.448 0.373 0.935 0.387 CB 1.547 37 residues pruned to eliminate duplicates Z: 7 7.078 1.895 0.369 0.363 1.000 0.833 CA 1.290 7 residues pruned to eliminate duplicates Z: 29 14.062 1.956 0.186 0.297 0.929 0.536 CA 1.548 29 residues pruned to eliminate duplicates Z: 24 14.197 1.986 0.344 0.347 0.870 0.609 CA 1.505 24 residues pruned to eliminate duplicates Z: 35 15.969 2.006 0.256 0.335 0.853 0.500 CA 1.528 35 residues pruned to eliminate duplicates Z: 29 15.658 2.003 0.157 0.370 0.964 0.643 CA 1.522 29 residues pruned to eliminate duplicates Z: 34 16.748 1.987 0.237 0.379 0.879 0.455 CA 1.537 34 residues pruned to eliminate duplicates Z: 32 13.910 1.918 0.222 0.318 0.903 0.484 CB 1.443 32 residues pruned to eliminate duplicates Z: 25 15.292 1.960 0.351 0.338 0.917 0.542 CA 1.535 25 residues pruned to eliminate duplicates Z: 36 13.028 1.965 0.130 0.332 0.829 0.514 CB 1.440 36 residues pruned to eliminate duplicates Z: 36 16.837 1.954 0.399 0.331 0.914 0.600 CB 1.371 36 residues pruned to eliminate duplicates Z: 42 15.554 1.896 0.293 0.338 0.854 0.561 CB 1.385 42 residues pruned to eliminate duplicates Z: 9 3.734 1.602 0.335 0.388 0.875 0.750 CB 0.795 9 residues pruned to eliminate duplicates Z: 8 4.917 1.793 0.166 0.428 0.857 0.571 CB 1.118 8 residues pruned to eliminate duplicates Z: 10 4.708 1.748 0.288 0.310 0.778 0.444 CB 1.106 10 residues pruned to eliminate duplicates Z: 9 2.359 1.506 0.115 0.206 0.875 0.250 N 0.804 9 residues pruned to eliminate duplicates Z: 6 2.041 1.779 0.538 0.327 0.800 0.200 CB 0.504 6 residues pruned to eliminate duplicates Z: 19 7.373 1.707 0.313 0.346 0.722 0.389 CB 1.268 17 residues pruned to eliminate duplicates Z: 6 2.266 1.321 0.564 0.417 0.600 0.400 N 0.892 Z: 26 25.136 2.138 0.196 0.741 0.960 0.840 CB 1.650 32 residues pruned to eliminate duplicates Z: 62 36.820 2.076 0.593 0.580 0.885 0.557 CA 1.491 61 residues pruned to eliminate duplicates Z: 20 20.293 2.054 0.318 0.793 0.895 0.684 CB 1.485 20 residues pruned to eliminate duplicates Z: 20 14.899 2.012 0.482 0.408 0.947 0.632 CB 1.334 20 residues pruned to eliminate duplicates Z: 29 22.178 1.989 0.496 0.667 0.893 0.786 CB 1.352 29 residues pruned to eliminate duplicates Z: 56 32.982 1.972 0.589 0.604 0.891 0.655 CA 1.443 56 residues pruned to eliminate duplicates Z: 20 18.159 2.178 0.288 0.566 0.895 0.526 CA 1.557 20 residues pruned to eliminate duplicates Z: 29 21.755 2.052 0.265 0.638 0.929 0.714 CB 1.499 29 residues pruned to eliminate duplicates Z: 30 30.344 2.047 0.550 0.714 0.931 0.724 CB 1.572 30 residues pruned to eliminate duplicates Z: 27 29.982 2.106 0.437 0.754 0.962 0.692 CB 1.612 27 residues pruned to eliminate duplicates Z: 42 26.837 2.034 0.374 0.665 0.878 0.683 CB 1.466 42 residues pruned to eliminate duplicates Z: 25 26.068 2.150 0.564 0.717 0.958 0.750 CB 1.356 25 residues pruned to eliminate duplicates Z: 40 28.523 2.077 0.456 0.592 0.897 0.564 CA 1.540 40 residues pruned to eliminate duplicates Z: 24 20.376 2.067 0.580 0.680 0.913 0.522 CB 1.207 24 residues pruned to eliminate duplicates Z: 16 23.817 2.177 0.349 0.893 1.000 0.867 CB 1.504 16 residues pruned to eliminate duplicates Z: 29 26.493 2.016 0.623 0.676 0.857 0.679 CB 1.518 29 residues pruned to eliminate duplicates Z: 26 29.029 2.104 0.481 0.733 1.000 0.760 CB 1.511 26 residues pruned to eliminate duplicates Z: 29 26.917 2.034 0.556 0.702 0.893 0.679 CA 1.498 29 residues pruned to eliminate duplicates Z: 62 33.963 2.073 0.521 0.586 0.885 0.607 CA 1.435 62 residues pruned to eliminate duplicates Z: 35 26.456 2.022 0.564 0.576 0.912 0.588 CB 1.462 35 residues pruned to eliminate duplicates Z: 49 30.839 2.080 0.555 0.567 0.854 0.542 CA 1.510 39 residues pruned to eliminate duplicates 6 1.975 1.462 -0.095 0.429 1.000 0.000 CA 0.718 ? Z: 7 6.903 1.484 0.614 0.535 1.000 0.667 CA 1.137 7 residues pruned to eliminate duplicates Z: 37 23.692 1.961 0.551 0.576 0.889 0.444 CB 1.357 37 residues pruned to eliminate duplicates Z: 17 16.943 1.946 0.699 0.558 0.938 0.375 CA 1.292 9 residues pruned to eliminate duplicates Z: 12 9.210 1.828 0.140 0.742 0.818 0.545 CA 1.311 12 residues pruned to eliminate duplicates Z: 37 22.345 1.995 0.682 0.478 0.889 0.444 CA 1.277 37 residues pruned to eliminate duplicates Z: 22 18.598 1.935 0.671 0.542 0.905 0.381 CA 1.331 18 residues pruned to eliminate duplicates Z: 12 14.111 1.786 0.495 0.859 1.000 0.727 CA 1.172 12 residues pruned to eliminate duplicates Z: 15 14.008 1.846 0.482 0.661 1.000 0.500 CA 1.178 15 residues pruned to eliminate duplicates Z: 36 23.146 2.053 0.692 0.467 0.886 0.571 CA 1.315 36 residues pruned to eliminate duplicates Z: 35 25.894 2.042 0.658 0.508 0.912 0.412 CA 1.426 35 residues pruned to eliminate duplicates Z: 17 12.725 1.808 0.472 0.555 0.875 0.438 CA 1.295 17 residues pruned to eliminate duplicates Z: 38 21.384 2.014 0.716 0.467 0.784 0.486 CA 1.342 38 residues pruned to eliminate duplicates Z: 21 16.806 1.989 0.570 0.630 0.850 0.450 CA 1.253 21 residues pruned to eliminate duplicates Z: 23 18.942 1.967 0.774 0.539 0.864 0.409 CA 1.290 23 residues pruned to eliminate duplicates Z: 58 29.458 2.032 0.460 0.609 0.842 0.561 CA 1.408 17 residues pruned to eliminate duplicates Z: 6 2.176 1.659 1.069 0.318 0.800 0.400 CA 0.433 6 residues pruned to eliminate duplicates Z: 30 19.445 1.847 0.722 0.585 0.793 0.414 CB 1.319 30 residues pruned to eliminate duplicates Z: 24 13.875 1.875 0.516 0.564 0.783 0.435 CB 1.222 24 residues pruned to eliminate duplicates Z: 22 14.804 1.925 0.488 0.576 0.857 0.429 CA 1.223 22 residues pruned to eliminate duplicates Z: 14 12.733 2.175 0.569 0.436 0.769 0.462 CA 1.437 14 residues pruned to eliminate duplicates Z: 14 9.368 2.127 0.451 0.412 0.692 0.385 CA 1.333 14 residues pruned to eliminate duplicates Z: 13 10.690 2.193 0.638 0.392 0.667 0.583 CA 1.444 13 residues pruned to eliminate duplicates Z: 13 10.335 2.160 0.758 0.354 0.667 0.500 CA 1.379 13 residues pruned to eliminate duplicates Z: 13 10.037 2.172 0.576 0.384 0.667 0.500 CA 1.437 13 residues pruned to eliminate duplicates Z: 36 21.333 2.031 0.656 0.506 0.829 0.429 CA 1.287 36 residues pruned to eliminate duplicates Z: 43 27.144 2.076 0.440 0.548 0.857 0.619 CA 1.560 40 residues pruned to eliminate duplicates Z: 7 5.413 1.467 0.716 0.414 1.000 0.667 CA 0.961 7 residues pruned to eliminate duplicates Z: 14 12.169 2.180 0.803 0.352 0.769 0.538 CA 1.310 14 residues pruned to eliminate duplicates Z: 14 12.417 2.138 0.862 0.368 0.769 0.538 CA 1.296 14 residues pruned to eliminate duplicates Z: 16 10.725 1.979 0.674 0.270 0.867 0.467 CA 1.252 16 residues pruned to eliminate duplicates Z: 33 26.637 2.164 0.602 0.546 0.844 0.625 CA 1.539 33 residues pruned to eliminate duplicates Z: 18 12.471 1.887 0.677 0.444 0.765 0.529 CB 1.324 18 residues pruned to eliminate duplicates Z: 18 11.720 1.871 0.500 0.434 0.824 0.529 CB 1.316 18 residues pruned to eliminate duplicates Z: 14 12.094 1.911 0.349 0.496 0.923 0.538 CB 1.416 14 residues pruned to eliminate duplicates Z: 17 15.250 1.927 0.626 0.495 0.875 0.562 CB 1.398 17 residues pruned to eliminate duplicates Z: 15 15.748 1.824 0.589 0.551 0.929 0.571 N 1.489 15 residues pruned to eliminate duplicates Z: 19 11.465 1.837 0.438 0.407 0.889 0.611 CB 1.269 19 residues pruned to eliminate duplicates Z: 17 15.283 1.817 0.527 0.517 0.938 0.500 CA 1.445 17 residues pruned to eliminate duplicates Z: 18 10.263 1.744 0.449 0.418 0.824 0.647 CB 1.303 18 residues pruned to eliminate duplicates Z: 16 16.382 1.949 0.786 0.479 0.867 0.533 CB 1.432 18 residues pruned to eliminate duplicates Z: 8 6.087 1.603 0.495 0.441 0.857 0.571 CA 1.190 8 residues pruned to eliminate duplicates Z: 10 8.580 1.724 0.294 0.575 0.889 0.556 N 1.342 10 residues pruned to eliminate duplicates Z: 8 7.606 1.996 0.020 0.601 1.000 0.857 CB 1.283 8 residues pruned to eliminate duplicates Z: 40 17.042 1.939 0.373 0.411 0.872 0.538 CA 1.290 40 residues pruned to eliminate duplicates Z: 42 20.705 1.932 0.459 0.424 0.878 0.610 CA 1.414 42 residues pruned to eliminate duplicates Z: 43 17.366 1.978 0.278 0.439 0.833 0.405 CB 1.356 43 residues pruned to eliminate duplicates Z: 31 12.838 1.930 0.289 0.371 0.800 0.467 CA 1.351 31 residues pruned to eliminate duplicates Z: 35 18.324 1.984 0.573 0.357 0.824 0.500 CA 1.426 35 residues pruned to eliminate duplicates Z: 40 16.327 1.961 0.422 0.377 0.846 0.538 CA 1.262 40 residues pruned to eliminate duplicates Z: 40 20.213 2.008 0.380 0.450 0.897 0.590 CA 1.370 40 residues pruned to eliminate duplicates Z: 30 16.334 1.979 0.516 0.385 0.828 0.586 CA 1.380 30 residues pruned to eliminate duplicates Z: 33 15.896 2.004 0.376 0.389 0.812 0.438 CA 1.410 33 residues pruned to eliminate duplicates Z: 30 16.673 1.935 0.441 0.415 0.793 0.586 CA 1.530 30 residues pruned to eliminate duplicates Z: 35 15.614 1.984 0.401 0.356 0.824 0.412 CA 1.366 35 residues pruned to eliminate duplicates Z: 42 19.371 1.921 0.431 0.441 0.854 0.561 CA 1.370 42 residues pruned to eliminate duplicates Z: 25 14.724 1.945 0.541 0.360 0.792 0.500 CB 1.473 25 residues pruned to eliminate duplicates Z: 34 15.654 1.946 0.400 0.392 0.879 0.455 CA 1.276 34 residues pruned to eliminate duplicates Z: 34 16.260 1.949 0.482 0.376 0.848 0.485 CA 1.318 34 residues pruned to eliminate duplicates Z: 25 14.774 2.050 0.295 0.445 0.875 0.542 CA 1.374 25 residues pruned to eliminate duplicates Z: 21 10.836 1.942 0.395 0.335 0.750 0.450 CB 1.428 21 residues pruned to eliminate duplicates Z: 12 8.633 2.013 0.148 0.387 0.818 0.636 CB 1.553 12 residues pruned to eliminate duplicates Z: 25 12.924 1.899 0.434 0.357 0.833 0.542 CA 1.356 25 residues pruned to eliminate duplicates Z: 34 13.439 1.929 0.283 0.340 0.848 0.424 CA 1.326 34 residues pruned to eliminate duplicates Z: 15 9.004 1.951 0.275 0.357 0.786 0.571 CA 1.437 15 residues pruned to eliminate duplicates Z: 47 20.056 1.920 0.394 0.441 0.848 0.543 CA 1.385 47 residues pruned to eliminate duplicates Z: 37 14.356 1.923 0.400 0.413 0.806 0.417 CA 1.209 37 residues pruned to eliminate duplicates Z: 44 19.199 1.914 0.466 0.405 0.884 0.465 CA 1.306 44 residues pruned to eliminate duplicates Z: 43 20.841 1.905 0.587 0.396 0.857 0.500 CA 1.385 43 residues pruned to eliminate duplicates Z: 43 16.696 1.985 0.412 0.395 0.833 0.548 CA 1.232 43 residues pruned to eliminate duplicates Z: 12 10.483 2.039 0.308 0.509 0.909 0.636 CA 1.293 12 residues pruned to eliminate duplicates Z: 13 12.612 1.971 0.551 0.596 0.917 0.583 CA 1.186 13 residues pruned to eliminate duplicates Z: 42 17.765 1.882 0.421 0.370 0.878 0.415 CA 1.359 42 residues pruned to eliminate duplicates Z: 11 12.071 2.060 0.369 0.559 1.000 0.500 CA 1.278 11 residues pruned to eliminate duplicates Z: 34 15.179 1.978 0.308 0.400 0.909 0.394 CA 1.248 34 residues pruned to eliminate duplicates Z: 37 16.004 1.906 0.313 0.426 0.889 0.361 CA 1.294 37 residues pruned to eliminate duplicates Z: 12 9.749 1.846 0.469 0.619 0.818 0.545 CA 1.185 12 residues pruned to eliminate duplicates Z: 13 9.786 1.802 0.509 0.756 0.917 0.750 CA 0.903 13 residues pruned to eliminate duplicates Z: 50 30.656 2.066 0.501 0.505 0.878 0.510 CB 1.602 52 residues pruned to eliminate duplicates Z: 18 11.610 1.677 0.562 0.789 0.706 0.412 CA 1.181 18 residues pruned to eliminate duplicates Z: 14 17.257 2.056 0.725 0.546 0.846 0.308 CA 1.524 14 residues pruned to eliminate duplicates Z: 21 21.865 2.102 0.721 0.578 0.850 0.350 CA 1.475 21 residues pruned to eliminate duplicates Z: 38 27.614 2.118 0.612 0.464 0.919 0.541 CA 1.501 38 residues pruned to eliminate duplicates Z: 37 27.130 2.048 0.674 0.435 0.917 0.500 CB 1.538 37 residues pruned to eliminate duplicates Z: 40 21.229 2.050 0.496 0.433 0.769 0.436 CA 1.544 40 residues pruned to eliminate duplicates Z: 23 30.206 2.082 1.012 0.646 0.909 0.455 CA 1.475 23 residues pruned to eliminate duplicates Z: 23 18.153 1.955 0.699 0.641 0.773 0.455 CA 1.321 23 residues pruned to eliminate duplicates Z: 22 14.160 1.837 0.665 0.443 0.810 0.333 CA 1.323 22 residues pruned to eliminate duplicates Z: 20 19.208 1.964 0.641 0.634 0.895 0.421 CA 1.348 20 residues pruned to eliminate duplicates Z: 22 26.320 2.076 0.723 0.661 0.857 0.476 CA 1.613 22 residues pruned to eliminate duplicates Z: 41 25.532 2.077 0.538 0.446 0.850 0.300 CA 1.571 41 residues pruned to eliminate duplicates Z: 39 27.746 2.098 0.591 0.473 0.868 0.368 CB 1.594 39 residues pruned to eliminate duplicates Z: 42 25.574 2.073 0.585 0.449 0.829 0.366 CA 1.544 42 residues pruned to eliminate duplicates Z: 43 30.495 2.080 0.507 0.494 0.952 0.429 CA 1.586 42 residues pruned to eliminate duplicates Z: 15 24.532 2.034 0.873 0.721 0.929 0.429 CA 1.519 15 residues pruned to eliminate duplicates Z: 25 15.101 2.077 0.435 0.344 0.833 0.500 CA 1.470 25 residues pruned to eliminate duplicates Z: 39 25.434 2.105 0.643 0.425 0.842 0.395 CA 1.531 39 residues pruned to eliminate duplicates Z: 39 29.058 2.093 0.695 0.476 0.868 0.395 CA 1.567 39 residues pruned to eliminate duplicates Z: 38 22.883 2.076 0.551 0.475 0.811 0.432 CA 1.478 38 residues pruned to eliminate duplicates Z: 45 31.710 2.094 0.604 0.513 0.909 0.386 CA 1.546 45 residues pruned to eliminate duplicates Z: 22 20.996 2.057 0.822 0.509 0.857 0.429 CA 1.413 22 residues pruned to eliminate duplicates Z: 44 23.549 1.966 0.590 0.428 0.837 0.302 CA 1.477 44 residues pruned to eliminate duplicates Z: 40 28.040 2.089 0.638 0.474 0.872 0.359 CA 1.545 40 residues pruned to eliminate duplicates Z: 47 25.712 2.034 0.580 0.462 0.870 0.370 CA 1.410 47 residues pruned to eliminate duplicates Z: 28 19.721 2.074 0.527 0.358 0.963 0.444 CA 1.451 29 residues pruned to eliminate duplicates Z: 6 2.257 1.223 0.424 0.296 1.000 0.600 CA 0.729 Z: 7 3.791 1.848 -0.130 0.402 1.000 0.500 CA 1.067 7 residues pruned to eliminate duplicates Z: 28 21.465 2.061 0.708 0.366 0.889 0.481 CA 1.525 28 residues pruned to eliminate duplicates Z: 34 27.384 2.172 0.590 0.498 0.909 0.545 CA 1.521 34 residues pruned to eliminate duplicates Z: 42 33.280 2.121 0.559 0.536 0.951 0.415 CA 1.596 41 residues pruned to eliminate duplicates Z: 7 8.797 1.801 0.416 0.770 1.000 0.333 CA 1.108 7 residues pruned to eliminate duplicates Z: 42 31.004 2.120 0.651 0.517 0.902 0.390 CA 1.508 42 residues pruned to eliminate duplicates Z: 28 19.036 2.054 0.606 0.411 0.889 0.556 CA 1.371 28 residues pruned to eliminate duplicates Z: 20 15.312 1.987 0.419 0.507 0.895 0.526 CA 1.383 20 residues pruned to eliminate duplicates Z: 48 27.650 2.032 0.561 0.503 0.830 0.340 CB 1.527 48 residues pruned to eliminate duplicates Z: 25 15.861 1.930 0.476 0.397 0.875 0.583 CB 1.448 24 residues pruned to eliminate duplicates Z: 6 4.000 1.625 0.634 0.359 0.800 0.600 CA 0.980 6 residues pruned to eliminate duplicates Z: 16 14.266 1.945 0.375 0.516 0.867 0.600 CA 1.565 16 residues pruned to eliminate duplicates Z: 27 12.783 1.845 0.299 0.394 0.769 0.385 CA 1.520 27 residues pruned to eliminate duplicates Z: 28 13.433 1.900 0.268 0.390 0.852 0.407 CB 1.415 28 residues pruned to eliminate duplicates Z: 19 16.085 1.956 0.381 0.457 0.889 0.556 CA 1.650 19 residues pruned to eliminate duplicates Z: 27 14.708 1.910 0.451 0.356 0.846 0.385 CB 1.437 26 residues pruned to eliminate duplicates Z: 6 4.527 1.684 0.584 0.359 0.800 0.600 CA 1.105 6 residues pruned to eliminate duplicates Z: 14 11.020 1.857 0.305 0.420 0.923 0.615 N 1.484 14 residues pruned to eliminate duplicates Z: 12 15.767 1.949 0.467 0.536 1.000 0.636 CB 1.605 12 residues pruned to eliminate duplicates Z: 13 11.042 1.897 0.632 0.483 0.750 0.500 CB 1.397 13 residues pruned to eliminate duplicates Z: 22 13.548 2.011 0.326 0.407 0.762 0.429 CA 1.604 22 residues pruned to eliminate duplicates Z: 13 12.934 1.974 0.544 0.436 0.833 0.583 CB 1.570 13 residues pruned to eliminate duplicates Z: 23 12.135 1.934 0.405 0.399 0.727 0.318 CB 1.456 23 residues pruned to eliminate duplicates Z: 25 14.882 1.978 0.205 0.414 0.917 0.542 CA 1.522 25 residues pruned to eliminate duplicates Z: 18 10.197 1.881 0.451 0.273 0.882 0.529 CB 1.328 18 residues pruned to eliminate duplicates Z: 39 19.017 1.970 0.458 0.378 0.868 0.579 CA 1.409 39 residues pruned to eliminate duplicates Z: 27 15.348 1.942 0.551 0.367 0.846 0.538 CA 1.362 27 residues pruned to eliminate duplicates Z: 16 10.388 1.936 0.438 0.365 0.733 0.467 CB 1.519 16 residues pruned to eliminate duplicates Z: 24 13.038 2.029 0.187 0.435 0.870 0.652 CA 1.389 24 residues pruned to eliminate duplicates Z: 11 5.391 2.013 0.151 0.418 0.600 0.500 CB 1.336 11 residues pruned to eliminate duplicates Z: 11 3.715 1.919 -0.031 0.398 0.600 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 23 15.182 2.040 0.394 0.443 0.864 0.682 CA 1.397 23 residues pruned to eliminate duplicates Z: 25 14.651 2.027 0.395 0.387 0.792 0.583 CA 1.505 25 residues pruned to eliminate duplicates Z: 24 14.880 2.045 0.436 0.377 0.870 0.565 CA 1.384 24 residues pruned to eliminate duplicates Z: 6 5.527 2.043 0.435 0.387 1.000 0.600 CA 0.950 7 residues pruned to eliminate duplicates Z: 7 6.463 1.764 0.331 0.455 1.000 0.333 CA 1.177 6 residues pruned to eliminate duplicates Z: 6 10.537 2.100 0.462 0.557 1.000 0.600 CB 1.453 7 residues pruned to eliminate duplicates Z: 6 3.884 1.498 0.239 0.492 1.000 1.000 CA 0.943 6 residues pruned to eliminate duplicates Z: 9 9.079 1.950 0.495 0.572 0.875 0.500 CB 1.174 9 residues pruned to eliminate duplicates Z: 15 8.029 2.001 0.198 0.452 0.857 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 14 6.590 2.028 0.020 0.470 0.923 0.615 CB 0.988 14 residues pruned to eliminate duplicates Z: 33 15.055 2.070 0.327 0.407 0.812 0.500 CB 1.315 52 residues pruned to eliminate duplicates Z: 15 8.127 1.982 0.111 0.527 0.857 0.714 CB 1.120 Z: 6 5.597 1.680 0.475 0.391 1.000 0.400 CA 1.133 6 residues pruned to eliminate duplicates Z: 14 8.474 1.840 0.226 0.532 0.846 0.692 CB 1.193 15 residues pruned to eliminate duplicates Z: 7 4.669 1.470 0.552 0.611 0.833 0.667 CA 0.902 8 residues pruned to eliminate duplicates 566 residues left after pruning, divided into chains as follows: A: 12 B: 7 C: 14 D: 15 E: 7 F: 9 G: 9 H: 12 I: 11 J: 9 K: 58 L: 46 M: 7 N: 58 O: 51 P: 61 Q: 97 R: 62 S: 8 T: 13 CC for partial structure against native data = 19.80 % ------------------------------------------------------------------------------ Global autotracing cycle 28 = 0.300, Contrast = 0.397, Connect. = 0.681 for dens.mod. cycle 1 = 0.300, Contrast = 0.459, Connect. = 0.703 for dens.mod. cycle 2 = 0.300, Contrast = 0.533, Connect. = 0.737 for dens.mod. cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.549, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.558, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.561, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.563, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6817 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1241 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 26.479 2.127 0.875 0.902 1.000 0.778 CA 1.579 B: 10 13.563 2.019 0.743 0.693 0.889 0.667 CB 1.212 C: 17 23.649 2.119 0.249 0.896 0.938 0.812 CA 1.707 D: 9 13.463 1.960 0.310 0.789 0.875 0.500 CB 1.644 E: 11 23.011 2.096 0.766 0.784 0.900 0.900 CA 1.701 11 residues pruned to eliminate duplicates F: 8 13.096 2.120 0.482 0.588 1.000 0.857 CA 1.448 G: 9 8.777 2.038 0.453 0.580 0.750 0.500 CA 1.294 10 residues pruned to eliminate duplicates H: 17 26.257 2.199 0.342 0.905 1.000 1.000 CA 1.584 17 residues pruned to eliminate duplicates I: 12 15.406 2.065 0.372 0.752 0.818 0.636 CA 1.600 12 residues pruned to eliminate duplicates J: 10 23.374 2.129 1.034 0.892 0.778 0.667 CA 1.662 10 residues pruned to eliminate duplicates K: 12 21.736 2.007 0.530 0.836 1.000 0.818 CA 1.597 12 residues pruned to eliminate duplicates L: 13 7.549 1.976 0.011 0.349 0.833 0.583 CA 1.542 M: 15 16.185 2.105 0.267 0.894 1.000 0.786 CB 1.164 N: 6 4.703 2.044 0.737 0.353 0.800 0.600 CB 0.868 O: 13 26.640 2.134 0.631 0.877 1.000 0.833 CA 1.605 13 residues pruned to eliminate duplicates P: 19 28.447 2.063 0.556 0.863 1.000 0.556 CA 1.532 17 residues pruned to eliminate duplicates Q: 16 8.502 1.978 0.146 0.394 0.800 0.400 CB 1.353 13 residues pruned to eliminate duplicates R: 9 8.412 1.616 0.563 0.720 0.750 0.500 N 1.287 S: 11 14.910 2.214 0.248 0.843 1.000 0.700 CB 1.271 11 residues pruned to eliminate duplicates T: 14 7.498 2.074 0.174 0.368 0.615 0.308 CB 1.599 14 residues pruned to eliminate duplicates U: 58 47.880 2.194 0.638 0.622 0.965 0.614 CB 1.631 19 residues pruned to eliminate duplicates V: 20 11.743 1.980 0.152 0.487 0.895 0.684 CA 1.339 W: 13 8.985 1.871 0.024 0.416 0.917 0.417 CB 1.614 9 residues pruned to eliminate duplicates X: 14 20.630 2.081 0.713 0.694 0.923 0.462 CA 1.456 Y: 19 23.328 2.017 0.534 0.847 0.889 0.611 CB 1.484 Z: 14 8.273 2.012 0.152 0.410 0.769 0.385 CB 1.413 14 residues pruned to eliminate duplicates Z: 11 11.568 1.765 0.411 0.675 0.900 0.500 CA 1.388 9 residues pruned to eliminate duplicates Z: 9 10.220 1.893 0.304 0.852 0.875 0.750 CA 1.238 Z: 10 11.302 1.748 0.284 0.790 1.000 0.333 CB 1.301 10 residues pruned to eliminate duplicates Z: 38 18.882 1.911 0.484 0.420 0.919 0.486 CA 1.294 9 residues pruned to eliminate duplicates Z: 14 13.238 2.071 0.338 0.563 0.923 0.692 CA 1.351 8 residues pruned to eliminate duplicates Z: 17 16.844 2.152 0.285 0.436 0.938 0.625 CB 1.735 Z: 15 10.938 2.049 0.698 0.346 0.786 0.429 CA 1.264 Z: 26 16.081 2.171 0.716 0.253 0.760 0.400 CA 1.507 Z: 16 26.815 2.208 0.457 0.867 1.000 0.733 CA 1.575 16 residues pruned to eliminate duplicates Z: 9 13.965 1.887 0.209 0.804 1.000 0.750 CB 1.660 11 residues pruned to eliminate duplicates Z: 11 13.558 2.233 -0.011 0.851 0.800 0.600 CA 1.796 11 residues pruned to eliminate duplicates Z: 10 3.887 1.784 0.328 0.216 0.667 0.444 CB 1.146 Z: 17 24.501 2.128 0.355 0.895 0.938 0.750 CA 1.625 17 residues pruned to eliminate duplicates Z: 14 12.320 2.074 0.794 0.430 0.769 0.538 CA 1.283 15 residues pruned to eliminate duplicates Z: 7 7.796 1.926 0.445 0.582 1.000 0.667 CB 1.057 Z: 16 16.135 1.781 0.759 0.554 1.000 0.667 CB 1.261 7 residues pruned to eliminate duplicates Z: 12 15.615 2.151 0.691 0.485 0.818 0.727 CA 1.606 12 residues pruned to eliminate duplicates Z: 29 21.312 2.108 0.512 0.490 0.857 0.500 CB 1.488 29 residues pruned to eliminate duplicates Z: 13 20.716 2.036 0.534 0.788 0.917 0.833 CB 1.622 13 residues pruned to eliminate duplicates Z: 21 17.429 2.044 0.266 0.631 0.950 0.500 CB 1.403 21 residues pruned to eliminate duplicates Z: 11 8.967 1.857 0.731 0.460 0.800 0.600 CA 1.149 11 residues pruned to eliminate duplicates Z: 17 20.590 1.944 0.546 0.901 1.000 0.875 CB 1.222 15 residues pruned to eliminate duplicates Z: 15 38.234 2.245 0.776 0.930 1.000 0.643 CA 1.793 16 residues pruned to eliminate duplicates Z: 19 29.050 2.099 0.526 0.873 1.000 0.833 CB 1.557 15 residues pruned to eliminate duplicates Z: 9 18.341 2.179 0.769 0.746 1.000 0.750 CB 1.350 9 residues pruned to eliminate duplicates Z: 15 10.893 1.852 0.444 0.377 0.857 0.429 CB 1.448 Z: 9 12.798 1.893 0.208 0.786 1.000 0.750 CB 1.540 9 residues pruned to eliminate duplicates Z: 19 12.851 1.781 0.477 0.349 0.944 0.778 CB 1.436 Z: 17 26.950 2.088 0.519 0.881 0.938 0.688 CA 1.640 17 residues pruned to eliminate duplicates Z: 15 9.627 2.042 0.702 0.375 0.714 0.500 CB 1.185 15 residues pruned to eliminate duplicates Z: 18 9.539 1.991 0.618 0.310 0.647 0.412 CB 1.370 6 residues pruned to eliminate duplicates Z: 11 9.378 1.877 0.584 0.814 0.800 0.600 CB 0.948 11 residues pruned to eliminate duplicates Z: 30 19.576 2.050 0.446 0.365 0.897 0.586 CA 1.582 17 residues pruned to eliminate duplicates Z: 18 8.778 1.827 0.639 0.351 0.706 0.353 CB 1.184 18 residues pruned to eliminate duplicates Z: 11 10.326 1.688 0.485 0.849 0.900 0.500 CA 1.073 9 residues pruned to eliminate duplicates Z: 16 5.598 1.998 -0.038 0.265 0.733 0.467 CB 1.341 16 residues pruned to eliminate duplicates Z: 10 18.470 2.193 0.387 0.890 1.000 0.444 CB 1.457 10 residues pruned to eliminate duplicates Z: 9 9.492 1.817 0.060 0.734 1.000 0.500 CB 1.412 9 residues pruned to eliminate duplicates Z: 7 6.922 1.907 0.287 0.601 0.833 0.833 CB 1.255 Z: 62 31.819 2.053 0.450 0.529 0.902 0.607 CA 1.474 46 residues pruned to eliminate duplicates Z: 12 20.834 1.964 0.665 0.897 1.000 0.727 CA 1.374 13 residues pruned to eliminate duplicates Z: 23 17.399 2.087 0.547 0.502 0.864 0.545 CB 1.327 20 residues pruned to eliminate duplicates Z: 13 22.162 2.193 0.254 0.864 1.000 0.750 CB 1.705 13 residues pruned to eliminate duplicates Z: 18 18.324 2.084 0.165 0.870 0.941 0.706 CB 1.420 18 residues pruned to eliminate duplicates Z: 7 5.078 1.778 -0.259 0.609 1.000 0.667 CB 1.419 Z: 16 16.872 2.039 0.568 0.492 0.933 0.667 CB 1.472 Z: 16 5.848 1.714 0.051 0.307 0.800 0.533 CB 1.298 14 residues pruned to eliminate duplicates Z: 9 6.416 1.741 0.558 0.334 1.000 0.125 CB 1.003 9 residues pruned to eliminate duplicates Z: 12 6.082 1.993 0.555 0.370 0.636 0.455 CB 1.069 12 residues pruned to eliminate duplicates Z: 13 10.842 1.695 0.425 0.592 1.000 0.750 CB 1.187 13 residues pruned to eliminate duplicates Z: 14 5.674 1.770 0.405 0.350 0.769 0.385 CA 0.968 14 residues pruned to eliminate duplicates Z: 11 20.871 2.312 0.452 0.884 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 6 5.599 1.779 0.439 0.414 0.800 0.400 CB 1.337 Z: 12 13.462 2.097 0.324 0.873 1.000 0.727 CB 1.065 12 residues pruned to eliminate duplicates Z: 22 9.105 1.939 0.028 0.298 0.952 0.667 CA 1.312 22 residues pruned to eliminate duplicates Z: 33 16.872 1.963 0.486 0.400 0.844 0.469 CA 1.346 33 residues pruned to eliminate duplicates Z: 17 12.156 2.080 -0.002 0.846 0.812 0.688 CB 1.339 17 residues pruned to eliminate duplicates Z: 17 13.376 1.955 0.265 0.563 0.875 0.625 CB 1.454 14 residues pruned to eliminate duplicates Z: 18 16.433 1.979 0.264 0.879 1.000 0.765 CB 1.156 18 residues pruned to eliminate duplicates Z: 13 25.532 2.009 0.904 0.878 0.917 0.417 C 1.526 11 residues pruned to eliminate duplicates Z: 7 12.836 1.781 0.496 0.856 1.000 0.667 CA 1.450 Z: 28 23.371 2.110 0.780 0.554 0.815 0.370 CA 1.394 28 residues pruned to eliminate duplicates Z: 12 21.160 2.248 0.440 0.913 1.000 0.818 CB 1.395 12 residues pruned to eliminate duplicates Z: 18 13.507 1.988 0.369 0.330 0.941 0.529 CA 1.540 18 residues pruned to eliminate duplicates Z: 19 15.449 2.081 0.560 0.393 0.833 0.444 CB 1.507 19 residues pruned to eliminate duplicates Z: 28 16.359 2.062 0.712 0.305 0.815 0.481 CA 1.359 29 residues pruned to eliminate duplicates Z: 17 9.226 1.951 0.189 0.399 0.812 0.312 CB 1.362 Z: 9 18.449 1.967 0.832 0.846 0.875 0.625 CA 1.537 11 residues pruned to eliminate duplicates 7 1.985 1.704 -0.114 0.388 0.667 0.333 CB 0.907 ? Z: 11 17.257 2.140 0.403 0.863 0.900 0.600 CB 1.481 11 residues pruned to eliminate duplicates Z: 11 5.471 1.921 0.319 0.393 0.800 0.600 CA 0.955 11 residues pruned to eliminate duplicates Z: 13 11.377 1.780 0.429 0.711 0.917 0.583 CB 1.164 13 residues pruned to eliminate duplicates Z: 38 31.912 2.021 0.724 0.532 0.973 0.649 CA 1.500 38 residues pruned to eliminate duplicates Z: 19 9.485 1.814 0.403 0.375 0.889 0.611 CA 1.130 14 residues pruned to eliminate duplicates Z: 16 11.171 1.839 0.476 0.460 0.933 0.467 CB 1.186 Z: 8 13.046 1.930 0.348 0.886 1.000 0.857 CA 1.367 4 residues pruned to eliminate duplicates Z: 12 17.122 2.212 0.091 0.882 1.000 0.545 CB 1.548 12 residues pruned to eliminate duplicates Z: 55 39.632 2.180 0.549 0.599 0.944 0.593 CA 1.539 55 residues pruned to eliminate duplicates Z: 19 15.344 1.890 0.279 0.901 1.000 0.944 CB 1.068 19 residues pruned to eliminate duplicates Z: 13 15.522 1.918 0.682 0.798 0.750 0.333 CB 1.426 13 residues pruned to eliminate duplicates Z: 6 9.542 1.652 0.668 0.845 0.800 0.600 CB 1.439 Z: 7 5.994 1.718 0.593 0.350 1.000 0.333 N 1.052 7 residues pruned to eliminate duplicates Z: 16 7.091 1.826 0.246 0.515 0.933 0.667 CB 0.849 Z: 44 23.329 2.048 0.358 0.462 0.884 0.558 CA 1.506 44 residues pruned to eliminate duplicates Z: 24 16.574 1.997 0.387 0.396 0.913 0.522 CA 1.526 28 residues pruned to eliminate duplicates Z: 17 19.595 2.104 0.346 0.861 0.875 0.375 CB 1.452 19 residues pruned to eliminate duplicates Z: 15 27.927 2.282 0.590 0.876 0.857 0.500 CA 1.744 15 residues pruned to eliminate duplicates Z: 34 13.865 1.964 0.345 0.402 0.788 0.424 CA 1.285 34 residues pruned to eliminate duplicates Z: 6 12.242 1.929 0.765 0.693 1.000 0.800 CB 1.347 Z: 9 10.689 1.805 0.562 0.828 1.000 0.625 CB 1.009 7 residues pruned to eliminate duplicates Z: 11 10.277 1.923 0.498 0.309 0.900 0.500 C 1.550 13 residues pruned to eliminate duplicates Z: 10 5.834 1.889 0.271 0.709 0.889 0.778 CB 0.754 13 residues pruned to eliminate duplicates Z: 15 18.645 2.088 0.570 0.889 1.000 0.786 CB 1.094 15 residues pruned to eliminate duplicates Z: 20 13.022 1.923 0.596 0.430 0.789 0.474 CA 1.326 20 residues pruned to eliminate duplicates Z: 13 12.091 2.025 0.298 0.899 1.000 0.750 CB 0.949 13 residues pruned to eliminate duplicates Z: 20 16.508 1.879 0.410 0.875 1.000 0.895 CB 1.039 20 residues pruned to eliminate duplicates Z: 17 20.104 1.909 0.527 0.932 0.938 0.750 CB 1.285 17 residues pruned to eliminate duplicates Z: 12 21.014 2.200 0.407 0.895 1.000 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 7 4.904 2.041 0.242 0.238 1.000 0.667 CB 1.070 7 residues pruned to eliminate duplicates Z: 31 13.178 1.879 0.478 0.377 0.800 0.400 CA 1.235 26 residues pruned to eliminate duplicates Z: 19 11.723 1.959 0.514 0.598 0.778 0.222 CA 1.091 19 residues pruned to eliminate duplicates Z: 16 16.417 1.970 0.671 0.492 0.867 0.533 CB 1.498 16 residues pruned to eliminate duplicates Z: 19 10.923 1.886 0.365 0.520 0.778 0.556 CB 1.261 18 residues pruned to eliminate duplicates Z: 6 8.909 1.780 0.407 0.712 1.000 0.600 CA 1.312 5 residues pruned to eliminate duplicates Z: 11 14.274 2.140 0.725 0.426 1.000 0.600 CB 1.320 12 residues pruned to eliminate duplicates Z: 16 32.214 2.248 0.573 0.916 0.933 0.600 CA 1.780 18 residues pruned to eliminate duplicates Z: 7 4.392 1.640 0.715 0.417 0.667 0.333 CA 1.043 Z: 7 6.082 1.777 0.132 0.562 0.833 0.667 CB 1.395 Z: 9 7.400 1.836 0.439 0.521 0.875 0.625 CB 1.108 9 residues pruned to eliminate duplicates Z: 27 7.891 1.847 0.158 0.310 0.846 0.538 CB 1.056 40 residues pruned to eliminate duplicates Z: 43 26.251 2.052 0.552 0.459 0.833 0.333 CA 1.591 36 residues pruned to eliminate duplicates Z: 63 40.584 2.108 0.587 0.563 0.935 0.500 CB 1.549 31 residues pruned to eliminate duplicates 6 1.582 1.502 -0.050 0.342 0.600 0.400 N 0.981 ? Z: 12 8.765 1.799 0.245 0.649 0.818 0.455 CB 1.255 10 residues pruned to eliminate duplicates Z: 18 15.248 1.944 0.404 0.807 0.824 0.588 CB 1.259 18 residues pruned to eliminate duplicates Z: 10 8.723 1.981 0.035 0.574 0.889 0.444 CB 1.485 Z: 29 15.588 1.960 0.418 0.333 0.857 0.357 CA 1.483 24 residues pruned to eliminate duplicates Z: 13 6.100 1.831 -0.005 0.468 0.750 0.583 CB 1.331 13 residues pruned to eliminate duplicates Z: 33 13.300 1.977 0.244 0.349 0.875 0.531 CA 1.288 33 residues pruned to eliminate duplicates Z: 28 19.848 2.053 0.398 0.395 0.926 0.407 CB 1.606 28 residues pruned to eliminate duplicates Z: 9 4.784 1.920 -0.026 0.546 0.875 0.625 CB 0.988 9 residues pruned to eliminate duplicates Z: 8 8.180 1.701 0.455 0.610 0.857 0.429 CA 1.313 Z: 27 12.699 1.880 0.275 0.325 0.808 0.538 CB 1.558 22 residues pruned to eliminate duplicates Z: 58 39.939 2.145 0.633 0.512 0.947 0.491 CB 1.575 58 residues pruned to eliminate duplicates Z: 26 15.916 1.914 0.274 0.570 0.920 0.720 CA 1.326 16 residues pruned to eliminate duplicates Z: 21 8.829 1.867 0.486 0.352 0.800 0.650 CB 1.044 21 residues pruned to eliminate duplicates Z: 11 12.790 2.117 0.046 0.849 1.000 0.500 CB 1.354 11 residues pruned to eliminate duplicates Z: 13 2.566 1.656 0.483 0.232 0.417 0.417 CB 0.989 13 residues pruned to eliminate duplicates Z: 6 4.243 1.692 0.426 0.313 0.800 0.400 CA 1.209 Z: 11 12.279 1.990 -0.003 0.883 1.000 1.000 CB 1.414 11 residues pruned to eliminate duplicates Z: 17 15.052 1.998 0.425 0.491 0.938 0.688 CB 1.423 16 residues pruned to eliminate duplicates Z: 9 16.201 2.026 0.684 0.768 1.000 0.875 CA 1.324 9 residues pruned to eliminate duplicates Z: 11 12.375 2.153 0.142 0.603 1.000 0.600 CA 1.442 11 residues pruned to eliminate duplicates Z: 9 12.680 2.112 0.326 0.624 1.000 0.625 CB 1.425 9 residues pruned to eliminate duplicates Z: 19 10.350 1.891 0.470 0.374 0.778 0.500 CA 1.291 19 residues pruned to eliminate duplicates Z: 21 11.677 1.944 0.348 0.444 0.850 0.500 CB 1.242 21 residues pruned to eliminate duplicates Z: 10 10.320 1.947 0.283 0.611 0.889 0.667 CB 1.394 10 residues pruned to eliminate duplicates Z: 53 33.236 2.071 0.511 0.548 0.923 0.596 CA 1.523 31 residues pruned to eliminate duplicates Z: 9 13.645 2.117 0.382 0.654 1.000 0.625 CB 1.429 10 residues pruned to eliminate duplicates Z: 33 24.763 2.123 0.634 0.531 0.812 0.469 CA 1.507 33 residues pruned to eliminate duplicates Z: 11 10.975 2.059 -0.028 0.774 1.000 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 11 8.061 1.834 0.428 0.504 0.800 0.500 CB 1.212 11 residues pruned to eliminate duplicates Z: 21 23.449 2.082 0.669 0.631 0.900 0.450 CA 1.481 21 residues pruned to eliminate duplicates Z: 9 8.860 1.893 0.210 0.760 0.875 0.625 CA 1.241 9 residues pruned to eliminate duplicates Z: 8 5.890 1.914 0.355 0.618 1.000 1.000 CB 0.768 Z: 23 12.448 1.993 0.413 0.368 0.864 0.591 CA 1.257 23 residues pruned to eliminate duplicates Z: 37 30.157 2.139 0.535 0.620 0.889 0.639 CB 1.537 37 residues pruned to eliminate duplicates Z: 17 10.002 1.782 0.430 0.424 0.875 0.500 CB 1.214 17 residues pruned to eliminate duplicates Z: 6 5.271 2.015 0.254 0.269 0.800 0.600 CA 1.517 7 residues pruned to eliminate duplicates Z: 12 13.958 1.913 0.382 0.804 0.909 0.818 CA 1.344 12 residues pruned to eliminate duplicates Z: 18 8.627 1.777 0.307 0.399 0.765 0.412 CB 1.310 14 residues pruned to eliminate duplicates Z: 7 8.574 1.941 0.496 0.635 1.000 0.500 CB 1.062 6 residues pruned to eliminate duplicates Z: 12 11.848 2.018 0.008 0.862 1.000 0.636 CB 1.289 12 residues pruned to eliminate duplicates Z: 28 10.653 1.898 0.280 0.396 0.815 0.407 CB 1.156 28 residues pruned to eliminate duplicates Z: 9 4.810 1.693 0.470 0.369 0.750 0.500 N 1.048 Z: 6 2.243 1.542 0.305 0.299 0.800 0.600 CA 0.779 Z: 10 8.527 1.840 0.363 0.493 0.889 0.444 CA 1.283 12 residues pruned to eliminate duplicates Z: 14 12.631 2.072 0.611 0.430 0.769 0.615 CA 1.468 14 residues pruned to eliminate duplicates Z: 7 11.761 1.986 0.645 0.631 0.833 0.833 CA 1.559 7 residues pruned to eliminate duplicates Z: 8 13.751 1.986 0.455 0.827 1.000 0.714 CA 1.356 8 residues pruned to eliminate duplicates Z: 47 16.030 1.940 0.425 0.388 0.761 0.478 CA 1.265 47 residues pruned to eliminate duplicates Z: 8 9.239 1.848 0.553 0.541 0.857 0.714 CB 1.363 8 residues pruned to eliminate duplicates Z: 7 14.626 2.012 0.497 0.697 1.000 0.833 CB 1.656 7 residues pruned to eliminate duplicates Z: 10 13.333 2.219 0.087 0.840 0.889 0.667 CB 1.548 10 residues pruned to eliminate duplicates Z: 6 5.628 1.914 0.176 0.390 0.800 0.600 CB 1.571 6 residues pruned to eliminate duplicates Z: 9 8.903 1.839 0.056 0.867 1.000 1.000 CA 1.186 9 residues pruned to eliminate duplicates Z: 12 10.587 1.870 0.384 0.595 1.000 0.636 CB 1.126 8 residues pruned to eliminate duplicates Z: 10 6.660 1.946 -0.122 0.694 1.000 0.889 CB 1.088 Z: 9 7.488 1.604 0.935 0.729 0.875 0.625 CB 0.793 9 residues pruned to eliminate duplicates Z: 39 37.248 2.178 0.636 0.646 0.947 0.737 CB 1.562 40 residues pruned to eliminate duplicates Z: 14 21.493 2.036 0.447 0.850 1.000 0.692 CA 1.499 14 residues pruned to eliminate duplicates Z: 6 6.843 1.477 0.625 0.704 1.000 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 17 23.196 2.075 0.533 0.881 0.875 0.562 CB 1.508 17 residues pruned to eliminate duplicates Z: 19 18.497 2.033 0.274 0.865 0.889 0.556 CB 1.388 19 residues pruned to eliminate duplicates Z: 24 13.613 2.041 0.309 0.465 0.870 0.565 CB 1.266 24 residues pruned to eliminate duplicates Z: 23 13.344 2.061 0.295 0.434 0.818 0.455 CB 1.395 23 residues pruned to eliminate duplicates Z: 32 20.374 2.073 0.610 0.527 0.839 0.613 CB 1.273 33 residues pruned to eliminate duplicates Z: 9 10.195 1.989 0.382 0.684 1.000 0.625 CB 1.107 9 residues pruned to eliminate duplicates Z: 7 10.092 1.796 0.539 0.828 1.000 0.667 CA 1.123 8 residues pruned to eliminate duplicates Z: 18 32.400 2.142 0.725 0.893 0.941 0.471 CA 1.621 18 residues pruned to eliminate duplicates Z: 9 11.563 1.639 0.566 0.873 1.000 0.625 CB 1.159 7 residues pruned to eliminate duplicates Z: 13 7.417 1.707 0.551 0.309 0.833 0.167 CB 1.199 13 residues pruned to eliminate duplicates Z: 17 11.364 1.806 0.443 0.456 0.938 0.625 CB 1.216 17 residues pruned to eliminate duplicates Z: 10 5.412 1.929 0.491 0.251 0.778 0.444 CB 1.074 10 residues pruned to eliminate duplicates Z: 20 19.714 1.959 0.206 0.868 0.947 0.737 CB 1.478 20 residues pruned to eliminate duplicates Z: 16 10.617 1.903 0.438 0.477 0.667 0.333 CB 1.537 10 residues pruned to eliminate duplicates Z: 8 5.393 1.988 0.254 0.190 0.857 0.571 CB 1.382 8 residues pruned to eliminate duplicates Z: 13 5.936 1.937 0.100 0.552 0.750 0.500 CA 1.019 13 residues pruned to eliminate duplicates Z: 30 15.418 1.934 0.359 0.378 0.862 0.552 CA 1.439 30 residues pruned to eliminate duplicates Z: 13 9.431 1.938 0.322 0.360 0.917 0.583 CB 1.349 13 residues pruned to eliminate duplicates 6 1.474 1.489 -0.266 0.607 1.000 0.600 CB 0.545 ? Z: 26 15.397 1.922 0.352 0.514 0.840 0.480 CB 1.392 26 residues pruned to eliminate duplicates Z: 9 5.536 1.715 0.148 0.500 0.750 0.500 CB 1.325 9 residues pruned to eliminate duplicates Z: 7 7.991 2.086 0.413 0.554 1.000 0.667 CB 1.050 10 residues pruned to eliminate duplicates Z: 33 13.056 1.852 0.310 0.361 0.812 0.500 CA 1.360 33 residues pruned to eliminate duplicates Z: 17 11.309 1.872 0.421 0.369 1.000 0.625 CB 1.222 17 residues pruned to eliminate duplicates Z: 14 6.321 1.794 0.091 0.319 0.923 0.538 CB 1.185 14 residues pruned to eliminate duplicates Z: 17 3.557 1.482 0.245 0.335 0.688 0.312 CB 0.839 Z: 17 14.073 2.035 0.434 0.431 0.938 0.500 CB 1.381 17 residues pruned to eliminate duplicates Z: 12 11.494 1.994 0.620 0.520 0.818 0.364 CA 1.285 12 residues pruned to eliminate duplicates Z: 59 36.217 2.173 0.427 0.553 0.914 0.672 CB 1.594 19 residues pruned to eliminate duplicates Z: 30 16.836 2.131 0.487 0.397 0.793 0.448 CA 1.387 30 residues pruned to eliminate duplicates Z: 7 11.927 2.003 0.454 0.767 1.000 0.500 CA 1.319 7 residues pruned to eliminate duplicates Z: 31 28.021 2.121 0.720 0.568 0.833 0.433 CA 1.575 31 residues pruned to eliminate duplicates Z: 7 6.097 2.020 0.321 0.487 1.000 1.000 CB 0.945 7 residues pruned to eliminate duplicates Z: 7 5.799 1.967 -0.195 0.565 0.833 0.500 CA 1.684 7 residues pruned to eliminate duplicates Z: 13 10.935 1.880 0.345 0.483 0.917 0.667 N 1.386 13 residues pruned to eliminate duplicates Z: 34 20.162 2.003 0.298 0.575 0.879 0.636 CA 1.430 34 residues pruned to eliminate duplicates Z: 16 8.250 1.792 0.321 0.460 0.800 0.467 CB 1.172 16 residues pruned to eliminate duplicates Z: 17 17.203 1.976 0.265 0.932 1.000 0.938 CB 1.202 15 residues pruned to eliminate duplicates Z: 6 4.435 1.397 0.476 0.568 1.000 0.600 CA 0.901 6 residues pruned to eliminate duplicates Z: 39 17.189 1.943 0.360 0.349 0.868 0.368 CA 1.432 32 residues pruned to eliminate duplicates Z: 9 2.500 1.533 -0.011 0.265 0.750 0.375 O 1.016 Z: 12 24.618 2.115 0.957 0.845 0.818 0.455 CA 1.629 12 residues pruned to eliminate duplicates Z: 34 15.559 1.964 0.247 0.327 0.909 0.364 CA 1.470 35 residues pruned to eliminate duplicates Z: 17 24.446 2.065 0.759 0.860 0.875 0.625 CB 1.413 17 residues pruned to eliminate duplicates Z: 6 8.914 1.995 0.339 0.719 1.000 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 10 11.050 1.855 0.413 0.746 0.889 0.778 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 4.788 1.599 -0.187 0.678 0.875 0.750 C 1.264 Z: 17 17.367 1.954 0.213 0.935 1.000 0.938 CB 1.277 17 residues pruned to eliminate duplicates Z: 14 9.532 1.906 0.377 0.534 0.769 0.385 CB 1.266 14 residues pruned to eliminate duplicates Z: 29 14.939 1.831 0.592 0.453 0.857 0.500 CA 1.186 29 residues pruned to eliminate duplicates Z: 13 9.410 1.804 0.295 0.565 1.000 0.583 CB 1.091 13 residues pruned to eliminate duplicates Z: 13 14.306 1.839 0.487 0.601 1.000 0.667 CA 1.371 13 residues pruned to eliminate duplicates Z: 9 5.617 1.773 0.108 0.385 0.750 0.625 CA 1.523 8 residues pruned to eliminate duplicates Z: 28 13.523 1.849 0.395 0.436 0.852 0.407 CB 1.266 46 residues pruned to eliminate duplicates Z: 37 15.530 1.936 0.336 0.350 0.889 0.583 CA 1.324 37 residues pruned to eliminate duplicates Z: 11 6.093 1.960 0.627 0.261 0.700 0.300 CB 1.135 11 residues pruned to eliminate duplicates Z: 17 26.340 2.154 0.591 0.812 0.875 0.438 CA 1.674 17 residues pruned to eliminate duplicates Z: 9 11.209 1.866 0.189 0.735 1.000 0.375 CA 1.446 9 residues pruned to eliminate duplicates Z: 6 4.213 1.823 0.426 0.622 0.800 0.600 CB 0.808 Z: 9 27.697 2.187 1.032 0.912 1.000 0.875 CA 1.560 15 residues pruned to eliminate duplicates Z: 11 15.632 1.960 0.874 0.879 0.900 0.600 CB 1.084 Z: 6 7.300 1.798 1.158 0.404 0.800 0.400 CA 1.163 6 residues pruned to eliminate duplicates Z: 6 4.236 1.674 0.354 0.296 1.000 0.600 N 1.050 Z: 18 13.775 1.961 0.358 0.474 0.941 0.588 CB 1.368 18 residues pruned to eliminate duplicates Z: 11 16.281 1.907 0.563 0.902 1.000 1.000 CB 1.232 11 residues pruned to eliminate duplicates Z: 12 11.646 1.936 0.231 0.834 0.909 0.727 CA 1.214 12 residues pruned to eliminate duplicates Z: 10 13.710 2.236 0.272 0.865 0.889 0.444 CB 1.325 10 residues pruned to eliminate duplicates Z: 8 7.308 1.833 0.200 0.740 0.714 0.571 CA 1.418 8 residues pruned to eliminate duplicates Z: 14 5.086 1.635 0.257 0.104 0.923 0.308 CB 1.232 9 residues pruned to eliminate duplicates Z: 39 15.665 1.919 0.292 0.409 0.868 0.500 CA 1.299 39 residues pruned to eliminate duplicates Z: 61 32.079 2.028 0.702 0.488 0.833 0.450 CB 1.457 51 residues pruned to eliminate duplicates Z: 21 7.789 1.915 0.116 0.215 0.850 0.400 CB 1.342 21 residues pruned to eliminate duplicates Z: 11 5.119 1.814 0.134 0.445 0.800 0.600 N 1.040 9 residues pruned to eliminate duplicates Z: 7 2.249 1.324 0.130 0.372 0.667 0.500 N 1.056 Z: 19 12.046 2.097 0.546 0.318 0.778 0.333 CA 1.376 19 residues pruned to eliminate duplicates Z: 21 14.740 1.935 0.222 0.512 0.900 0.550 CB 1.530 22 residues pruned to eliminate duplicates Z: 6 5.607 1.682 0.913 0.302 0.800 0.600 N 1.215 Z: 22 9.657 1.813 0.289 0.503 0.857 0.476 CA 1.049 22 residues pruned to eliminate duplicates Z: 9 5.060 1.660 -0.047 0.362 1.000 0.500 N 1.312 5 residues pruned to eliminate duplicates Z: 8 5.987 1.723 0.586 0.586 0.857 0.429 N 0.890 Z: 7 2.442 1.591 0.419 0.483 0.500 0.500 CB 0.898 Z: 8 5.827 1.992 0.293 0.441 0.571 0.286 CB 1.591 8 residues pruned to eliminate duplicates Z: 11 21.494 2.208 0.258 0.853 1.000 0.600 CB 1.810 Z: 22 13.212 2.008 0.181 0.367 0.952 0.476 CA 1.472 22 residues pruned to eliminate duplicates Z: 13 12.398 1.932 0.300 0.778 0.917 0.750 CB 1.215 Z: 11 8.721 1.714 1.209 0.603 0.800 0.700 N 0.826 Z: 24 15.191 2.100 0.312 0.383 0.826 0.565 CA 1.577 24 residues pruned to eliminate duplicates Z: 37 29.011 2.080 0.679 0.526 0.889 0.444 CA 1.518 33 residues pruned to eliminate duplicates Z: 23 20.062 2.116 0.752 0.424 0.864 0.500 CA 1.445 23 residues pruned to eliminate duplicates Z: 8 3.342 1.875 0.160 0.359 0.714 0.571 CB 0.946 Z: 10 15.167 2.282 0.189 0.864 1.000 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 7 2.427 1.345 0.279 0.513 1.000 0.833 CB 0.568 Z: 7 3.299 1.480 0.311 0.246 1.000 0.500 CB 0.931 Z: 23 20.049 1.813 0.760 0.534 0.864 0.545 N 1.499 23 residues pruned to eliminate duplicates Z: 8 4.222 1.702 0.444 0.396 0.857 0.429 N 0.845 6 1.737 1.682 -0.025 0.370 0.800 0.600 CB 0.681 ? Z: 24 15.565 2.015 0.658 0.395 0.870 0.522 CB 1.249 24 residues pruned to eliminate duplicates Z: 12 7.651 1.831 0.336 0.490 0.636 0.364 CA 1.496 8 residues pruned to eliminate duplicates Z: 9 6.683 1.771 0.641 0.481 0.750 0.500 CB 1.105 9 residues pruned to eliminate duplicates Z: 6 5.488 1.711 0.353 0.543 0.800 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 13 4.900 1.421 0.394 0.296 0.917 0.250 CB 0.978 Z: 14 6.501 1.799 0.370 0.405 0.692 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 16 8.488 2.010 0.401 0.312 0.867 0.400 CB 1.106 16 residues pruned to eliminate duplicates Z: 9 11.280 1.907 0.402 0.887 1.000 0.750 CB 1.075 9 residues pruned to eliminate duplicates Z: 16 9.935 1.971 0.272 0.306 0.867 0.533 CB 1.465 16 residues pruned to eliminate duplicates Z: 29 21.982 1.977 0.457 0.631 0.929 0.536 CA 1.373 29 residues pruned to eliminate duplicates Z: 36 25.827 2.095 0.384 0.707 0.857 0.629 CB 1.455 36 residues pruned to eliminate duplicates Z: 17 7.043 1.791 0.339 0.386 0.688 0.438 CA 1.205 17 residues pruned to eliminate duplicates Z: 18 18.808 1.933 0.290 0.897 1.000 0.706 CB 1.310 18 residues pruned to eliminate duplicates Z: 18 24.627 2.022 0.751 0.913 1.000 0.588 CB 1.194 13 residues pruned to eliminate duplicates Z: 8 3.973 1.664 0.178 0.429 0.857 0.429 CB 0.962 Z: 7 3.986 1.507 0.209 0.748 0.833 0.667 CA 0.859 7 residues pruned to eliminate duplicates Z: 18 8.330 1.737 0.270 0.588 0.765 0.412 CA 1.101 18 residues pruned to eliminate duplicates Z: 31 17.970 2.024 0.529 0.401 0.833 0.567 CB 1.413 31 residues pruned to eliminate duplicates Z: 19 13.469 2.072 0.456 0.404 0.889 0.556 CA 1.310 19 residues pruned to eliminate duplicates Z: 9 8.753 1.978 0.077 0.747 0.875 0.875 CA 1.331 9 residues pruned to eliminate duplicates Z: 12 15.620 1.747 0.523 0.912 1.000 0.909 CA 1.253 12 residues pruned to eliminate duplicates Z: 11 4.020 1.746 0.186 0.323 0.800 0.600 CB 0.933 11 residues pruned to eliminate duplicates Z: 6 2.344 1.552 0.500 0.298 0.600 0.400 N 0.941 Z: 19 7.543 1.691 0.499 0.280 0.778 0.500 CA 1.156 19 residues pruned to eliminate duplicates Z: 13 11.441 1.795 0.370 0.525 1.000 0.583 CB 1.310 13 residues pruned to eliminate duplicates Z: 22 15.114 1.902 0.353 0.401 0.905 0.476 CA 1.572 22 residues pruned to eliminate duplicates Z: 10 10.001 1.910 0.335 0.604 0.889 0.667 CB 1.332 10 residues pruned to eliminate duplicates Z: 9 5.912 1.777 0.346 0.334 0.875 0.500 CB 1.197 Z: 28 14.858 1.874 0.346 0.483 0.889 0.593 CA 1.297 28 residues pruned to eliminate duplicates Z: 20 25.558 2.029 0.768 0.924 0.947 0.474 CB 1.212 16 residues pruned to eliminate duplicates Z: 7 5.940 1.907 0.203 0.800 0.833 0.667 CB 0.976 7 residues pruned to eliminate duplicates Z: 9 13.428 1.788 0.422 0.843 1.000 0.625 CB 1.391 9 residues pruned to eliminate duplicates Z: 8 3.830 1.483 0.425 0.312 0.714 0.429 O 1.181 8 residues pruned to eliminate duplicates Z: 8 7.365 2.021 0.249 0.430 0.857 0.571 CA 1.384 8 residues pruned to eliminate duplicates Z: 20 15.292 1.967 0.055 0.777 1.000 0.895 CB 1.323 20 residues pruned to eliminate duplicates Z: 8 6.218 1.641 0.505 0.341 0.857 0.571 CA 1.321 11 residues pruned to eliminate duplicates Z: 38 21.790 2.070 0.667 0.361 0.811 0.514 CA 1.487 47 residues pruned to eliminate duplicates Z: 10 7.028 1.890 0.126 0.481 0.889 0.556 N 1.262 10 residues pruned to eliminate duplicates Z: 8 11.334 1.811 0.562 0.777 1.000 0.429 CA 1.186 8 residues pruned to eliminate duplicates Z: 26 21.461 1.929 0.434 0.608 0.960 0.760 CA 1.458 26 residues pruned to eliminate duplicates Z: 8 2.892 1.327 0.410 0.338 0.714 0.571 N 0.975 Z: 8 5.890 1.652 -0.210 0.741 1.000 0.571 CB 1.374 Z: 17 9.586 1.776 0.245 0.423 0.875 0.438 CA 1.341 17 residues pruned to eliminate duplicates Z: 24 19.593 2.002 0.352 0.563 0.957 0.652 CA 1.484 24 residues pruned to eliminate duplicates Z: 15 9.503 1.883 0.418 0.452 0.857 0.571 CB 1.167 15 residues pruned to eliminate duplicates Z: 21 15.599 2.054 0.493 0.459 0.850 0.550 CA 1.396 23 residues pruned to eliminate duplicates Z: 6 3.864 1.611 0.189 0.681 0.800 0.800 CA 0.955 Z: 15 14.456 2.035 0.437 0.550 0.929 0.714 CB 1.354 15 residues pruned to eliminate duplicates Z: 6 3.850 1.439 0.235 0.642 0.800 0.800 CA 1.061 Z: 15 12.115 1.991 0.251 0.865 1.000 0.857 CB 0.952 15 residues pruned to eliminate duplicates Z: 7 4.099 1.546 0.232 0.600 1.000 0.833 CB 0.798 Z: 9 6.311 1.534 0.560 0.571 0.875 0.750 N 0.995 9 residues pruned to eliminate duplicates Z: 7 2.202 1.494 0.009 0.561 1.000 0.833 N 0.562 Z: 13 12.585 1.831 0.318 0.583 0.917 0.750 CB 1.516 12 residues pruned to eliminate duplicates Z: 22 9.631 1.993 0.430 0.335 0.667 0.429 CA 1.325 22 residues pruned to eliminate duplicates Z: 9 5.465 1.884 0.287 0.373 0.875 0.500 CA 1.043 9 residues pruned to eliminate duplicates Z: 6 4.364 1.426 0.068 0.566 1.000 0.800 N 1.202 Z: 7 3.236 1.551 0.151 0.514 1.000 0.833 N 0.730 Z: 13 11.008 2.058 0.551 0.611 0.917 0.750 CB 0.978 10 residues pruned to eliminate duplicates Z: 15 6.450 2.026 -0.077 0.283 0.857 0.571 CB 1.373 15 residues pruned to eliminate duplicates Z: 8 9.092 1.723 0.661 0.691 0.714 0.429 CA 1.411 8 residues pruned to eliminate duplicates 7 1.707 1.393 0.220 0.369 0.833 0.500 CB 0.566 ? Z: 7 6.410 1.637 0.481 0.605 0.833 0.500 CB 1.172 Z: 15 6.649 1.818 0.094 0.348 0.786 0.429 CB 1.341 15 residues pruned to eliminate duplicates Z: 34 18.782 1.998 0.384 0.493 0.818 0.576 CA 1.455 40 residues pruned to eliminate duplicates Z: 22 9.371 1.901 0.141 0.474 0.762 0.524 CA 1.270 22 residues pruned to eliminate duplicates Z: 17 33.340 2.156 0.734 0.908 0.938 0.562 CB 1.690 17 residues pruned to eliminate duplicates Z: 9 12.250 1.862 0.646 0.808 0.875 0.625 CA 1.234 Z: 8 3.497 1.689 0.632 0.372 0.857 0.571 CB 0.641 8 residues pruned to eliminate duplicates Z: 6 3.405 1.228 1.175 0.669 0.800 0.800 C 0.609 Z: 25 14.372 1.762 0.433 0.461 0.833 0.542 CA 1.451 25 residues pruned to eliminate duplicates Z: 26 14.871 1.994 0.460 0.413 0.800 0.520 CA 1.400 25 residues pruned to eliminate duplicates Z: 27 14.923 1.979 0.634 0.344 0.846 0.615 CB 1.267 27 residues pruned to eliminate duplicates Z: 34 28.098 2.039 0.750 0.515 0.909 0.242 CA 1.486 44 residues pruned to eliminate duplicates Z: 6 5.179 1.634 0.293 0.757 0.800 0.600 CA 1.091 6 residues pruned to eliminate duplicates Z: 25 13.229 1.786 0.362 0.460 0.875 0.500 CB 1.321 25 residues pruned to eliminate duplicates Z: 6 2.257 1.386 0.147 0.299 0.800 0.600 CB 0.993 Z: 29 19.746 2.086 0.527 0.453 0.929 0.607 CB 1.324 29 residues pruned to eliminate duplicates Z: 32 20.967 2.096 0.516 0.441 0.806 0.419 CA 1.562 32 residues pruned to eliminate duplicates Z: 16 17.005 2.000 0.702 0.564 0.867 0.600 CA 1.399 16 residues pruned to eliminate duplicates Z: 13 7.377 1.548 0.787 0.250 0.833 0.583 C 1.232 Z: 30 26.928 1.956 0.654 0.579 0.931 0.552 CA 1.538 30 residues pruned to eliminate duplicates Z: 17 14.792 1.940 0.254 0.906 0.938 0.688 CB 1.153 16 residues pruned to eliminate duplicates Z: 18 19.713 1.792 0.610 0.864 0.941 0.647 CA 1.291 26 residues pruned to eliminate duplicates Z: 8 10.093 1.747 0.421 0.840 1.000 0.571 CA 1.146 8 residues pruned to eliminate duplicates Z: 7 4.209 1.791 -0.092 0.594 1.000 0.333 CB 0.966 7 residues pruned to eliminate duplicates Z: 6 3.464 1.396 0.184 0.523 1.000 0.600 CB 0.917 Z: 28 11.091 1.815 0.443 0.341 0.852 0.630 CA 1.137 28 residues pruned to eliminate duplicates Z: 8 5.576 1.905 0.471 0.321 0.714 0.286 N 1.282 8 residues pruned to eliminate duplicates Z: 41 24.540 2.079 0.286 0.616 0.850 0.650 CA 1.531 41 residues pruned to eliminate duplicates 6 1.098 1.622 0.565 0.296 0.800 0.600 CB 0.304 ? Z: 6 4.736 1.693 0.158 0.548 0.800 0.600 CB 1.289 Z: 6 2.589 1.208 0.106 0.397 1.000 0.400 CB 0.966 Z: 41 21.450 1.968 0.398 0.414 0.900 0.400 CB 1.497 41 residues pruned to eliminate duplicates Z: 19 12.844 1.732 0.319 0.453 0.889 0.611 O 1.564 19 residues pruned to eliminate duplicates Z: 11 9.872 1.899 0.228 0.607 1.000 0.400 CB 1.209 10 residues pruned to eliminate duplicates Z: 13 7.751 1.891 0.318 0.551 0.917 0.500 CB 0.932 14 residues pruned to eliminate duplicates Z: 9 4.720 1.419 0.237 0.449 1.000 0.750 CB 1.002 Z: 22 9.562 1.826 0.324 0.223 0.857 0.429 CB 1.392 22 residues pruned to eliminate duplicates Z: 7 2.727 1.577 0.447 0.608 0.667 0.667 CB 0.661 Z: 29 15.126 1.938 0.371 0.399 0.857 0.464 CA 1.396 29 residues pruned to eliminate duplicates Z: 9 11.114 2.041 0.190 0.425 1.000 0.625 CB 1.749 9 residues pruned to eliminate duplicates Z: 12 6.999 1.747 0.488 0.407 0.818 0.455 CB 1.094 12 residues pruned to eliminate duplicates Z: 9 9.964 1.885 0.181 0.814 0.750 0.250 CA 1.605 9 residues pruned to eliminate duplicates Z: 8 4.911 1.482 0.112 0.595 0.857 0.429 O 1.201 Z: 9 3.545 1.552 0.170 0.283 0.750 0.250 CB 1.176 Z: 13 5.192 1.420 0.479 0.281 0.750 0.250 N 1.218 13 residues pruned to eliminate duplicates Z: 6 5.108 1.560 0.566 0.401 0.800 0.400 N 1.296 Z: 10 5.524 1.677 0.286 0.378 0.889 0.333 CB 1.094 10 residues pruned to eliminate duplicates Z: 9 2.540 1.297 0.088 0.395 0.750 0.500 CA 0.948 Z: 12 9.281 1.639 0.559 0.563 0.909 0.727 CB 1.134 12 residues pruned to eliminate duplicates Z: 7 7.674 2.015 0.065 0.652 1.000 0.833 CA 1.268 Z: 12 11.773 2.074 0.839 0.282 0.909 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 31 11.408 1.787 0.508 0.293 0.833 0.433 CB 1.169 31 residues pruned to eliminate duplicates Z: 9 5.617 1.696 0.283 0.432 0.750 0.625 CA 1.306 10 residues pruned to eliminate duplicates Z: 10 3.386 1.664 0.067 0.342 0.667 0.556 N 1.132 10 residues pruned to eliminate duplicates Z: 7 6.950 1.552 0.414 0.748 0.833 0.500 C 1.243 Z: 11 6.092 1.697 0.325 0.451 0.800 0.600 CB 1.126 11 residues pruned to eliminate duplicates Z: 7 12.550 1.773 1.031 0.613 1.000 0.667 CB 1.279 7 residues pruned to eliminate duplicates Z: 22 7.413 1.622 0.279 0.411 0.762 0.476 CB 1.124 22 residues pruned to eliminate duplicates Z: 13 14.125 1.927 0.301 0.738 1.000 0.917 CB 1.314 13 residues pruned to eliminate duplicates Z: 6 3.872 1.546 0.217 0.449 1.000 0.600 CA 0.970 6 1.596 1.584 0.071 0.144 0.600 0.400 CB 1.088 ? Z: 8 2.138 1.420 0.255 0.290 0.571 0.286 N 1.004 8 residues pruned to eliminate duplicates Z: 8 8.805 1.796 0.714 0.743 0.857 0.857 N 1.014 9 residues pruned to eliminate duplicates Z: 6 2.640 1.688 -0.309 0.507 1.000 0.600 CB 1.005 6 residues pruned to eliminate duplicates Z: 40 25.355 2.064 0.687 0.476 0.795 0.385 CA 1.503 40 residues pruned to eliminate duplicates 6 1.899 1.369 0.035 0.204 0.800 0.400 CB 1.065 ? 6 1.224 1.237 -0.045 0.632 0.800 0.600 CB 0.511 ? Z: 6 3.312 1.604 0.086 0.373 1.000 0.400 C 0.974 Z: 22 14.535 1.863 0.609 0.387 0.810 0.524 CB 1.473 22 residues pruned to eliminate duplicates Z: 24 12.857 1.947 0.364 0.372 0.826 0.348 CB 1.401 18 residues pruned to eliminate duplicates Z: 20 16.072 2.032 0.642 0.474 0.895 0.579 CB 1.268 20 residues pruned to eliminate duplicates Z: 12 5.477 1.882 0.676 0.497 0.818 0.545 CB 0.642 12 residues pruned to eliminate duplicates Z: 7 3.931 1.240 0.581 0.449 1.000 0.667 N 0.863 Z: 6 2.101 1.511 0.070 0.473 0.600 0.400 CA 0.995 Z: 11 3.132 1.295 0.342 0.243 0.800 0.300 O 0.958 11 residues pruned to eliminate duplicates 6 0.723 1.246 0.132 0.414 0.400 0.400 C 0.627 ? Z: 7 3.697 1.564 0.008 0.537 0.833 0.333 N 1.107 Z: 21 9.995 1.906 0.370 0.300 0.800 0.500 CA 1.337 21 residues pruned to eliminate duplicates Z: 11 6.679 1.735 0.318 0.545 1.000 0.700 CB 0.883 11 residues pruned to eliminate duplicates Z: 7 5.705 1.590 0.429 0.545 0.833 0.833 CA 1.177 Z: 10 9.457 1.839 0.339 0.643 1.000 0.778 CA 1.120 10 residues pruned to eliminate duplicates Z: 9 13.047 1.959 0.365 0.799 1.000 0.875 CA 1.328 10 residues pruned to eliminate duplicates Z: 6 2.665 1.393 0.715 0.189 1.000 0.400 N 0.724 Z: 10 4.137 1.512 0.711 0.326 0.889 0.444 CB 0.726 6 residues pruned to eliminate duplicates Z: 11 4.395 1.355 0.642 0.330 0.800 0.600 CB 0.941 Z: 24 10.524 1.820 0.291 0.357 0.870 0.609 CA 1.253 19 residues pruned to eliminate duplicates Z: 49 27.860 2.075 0.432 0.567 0.854 0.604 CA 1.485 49 residues pruned to eliminate duplicates Z: 6 2.088 1.325 0.473 0.296 0.800 0.600 CA 0.752 Z: 7 8.924 1.522 1.000 0.663 1.000 0.333 CB 1.029 Z: 11 12.297 2.037 0.194 0.775 1.000 0.700 CB 1.255 11 residues pruned to eliminate duplicates Z: 23 22.473 2.062 0.385 0.683 1.000 0.727 CA 1.418 23 residues pruned to eliminate duplicates Z: 14 6.077 1.717 0.469 0.530 0.923 0.462 CA 0.703 14 residues pruned to eliminate duplicates Z: 9 6.155 2.057 -0.017 0.435 0.875 0.625 CA 1.316 9 residues pruned to eliminate duplicates Z: 61 36.111 2.102 0.558 0.617 0.883 0.617 CA 1.443 65 residues pruned to eliminate duplicates Z: 12 13.586 1.712 0.542 0.848 1.000 0.909 CA 1.151 12 residues pruned to eliminate duplicates Z: 7 3.910 1.414 0.423 0.262 1.000 0.333 N 1.041 Z: 9 4.865 1.674 0.635 0.345 0.750 0.500 CB 0.991 7 1.285 1.185 -0.148 0.402 0.667 0.500 C 0.864 ? Z: 8 3.146 1.717 0.287 0.602 1.000 0.571 CB 0.488 8 residues pruned to eliminate duplicates Z: 21 13.758 2.118 0.612 0.374 0.900 0.600 CB 1.145 21 residues pruned to eliminate duplicates Z: 12 10.513 1.697 0.493 0.782 1.000 0.818 CA 0.976 12 residues pruned to eliminate duplicates 6 0.928 1.449 0.354 0.313 0.600 0.400 CB 0.434 ? Z: 9 14.546 2.064 0.670 0.835 1.000 0.750 CA 1.118 9 residues pruned to eliminate duplicates Z: 18 9.468 1.769 0.254 0.426 0.882 0.529 CB 1.268 18 residues pruned to eliminate duplicates Z: 13 4.827 1.492 0.592 0.392 0.583 0.333 CB 1.128 4 residues pruned to eliminate duplicates Z: 25 15.850 1.828 0.524 0.548 0.917 0.667 CA 1.210 25 residues pruned to eliminate duplicates Z: 7 2.736 1.466 0.471 0.310 0.667 0.500 CB 0.960 Z: 14 7.894 1.830 0.353 0.289 0.846 0.615 CA 1.324 14 residues pruned to eliminate duplicates Z: 24 18.528 2.019 0.620 0.518 0.913 0.652 CB 1.271 24 residues pruned to eliminate duplicates Z: 7 6.206 1.718 0.438 0.409 0.833 0.833 CB 1.355 8 residues pruned to eliminate duplicates Z: 15 20.125 1.939 0.645 0.592 1.000 0.643 CA 1.544 39 residues pruned to eliminate duplicates 6 1.848 1.382 0.228 0.296 0.800 0.600 O 0.765 ? Z: 7 3.328 1.136 0.789 0.406 0.833 0.500 C 0.886 Z: 17 9.731 1.912 0.263 0.468 0.875 0.625 CB 1.189 17 residues pruned to eliminate duplicates Z: 19 14.068 1.930 0.377 0.360 0.944 0.667 CA 1.537 19 residues pruned to eliminate duplicates Z: 7 5.248 1.682 0.058 0.737 1.000 0.500 CB 0.973 7 residues pruned to eliminate duplicates Z: 8 9.809 1.902 0.093 0.894 1.000 0.714 N 1.279 8 residues pruned to eliminate duplicates Z: 26 13.944 1.966 0.247 0.301 0.920 0.480 CA 1.544 26 residues pruned to eliminate duplicates Z: 8 5.601 1.616 0.887 0.528 0.857 0.429 CB 0.787 8 residues pruned to eliminate duplicates Z: 21 19.352 2.137 0.311 0.621 0.950 0.600 CB 1.451 21 residues pruned to eliminate duplicates Z: 15 16.382 2.058 0.114 0.818 1.000 0.929 CB 1.449 15 residues pruned to eliminate duplicates Z: 15 11.043 2.035 0.342 0.341 0.857 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 19 12.362 1.837 0.323 0.507 0.944 0.556 CA 1.261 19 residues pruned to eliminate duplicates 6 1.822 1.239 0.052 0.424 0.800 0.400 CB 0.846 ? Z: 56 42.287 2.192 0.689 0.532 0.945 0.600 CA 1.578 56 residues pruned to eliminate duplicates Z: 7 6.597 1.310 0.766 0.570 1.000 0.167 CB 1.088 Z: 9 9.084 2.036 -0.081 0.855 1.000 1.000 CB 1.267 9 residues pruned to eliminate duplicates Z: 6 5.930 1.581 0.614 0.426 1.000 0.400 N 1.122 Z: 27 17.050 1.959 0.486 0.389 0.885 0.462 CA 1.460 24 residues pruned to eliminate duplicates Z: 7 3.425 1.557 0.297 0.372 0.833 0.167 CB 0.953 7 residues pruned to eliminate duplicates Z: 9 7.988 2.062 0.932 0.351 0.750 0.500 CB 1.111 9 residues pruned to eliminate duplicates Z: 17 14.552 1.950 0.507 0.690 0.875 0.625 CA 1.189 17 residues pruned to eliminate duplicates 6 1.059 1.436 0.515 0.564 1.000 0.800 CB 0.205 ? 6 0.745 1.166 -0.150 0.412 0.600 0.400 CB 0.615 ? Z: 9 2.514 1.403 0.002 0.334 0.750 0.750 CB 1.011 9 residues pruned to eliminate duplicates Z: 9 4.318 1.498 0.464 0.437 0.750 0.250 CB 0.991 9 residues pruned to eliminate duplicates Z: 12 7.106 1.550 0.298 0.560 1.000 0.364 CB 1.005 12 residues pruned to eliminate duplicates Z: 7 3.762 1.363 0.473 0.269 0.833 0.333 CB 1.194 7 residues pruned to eliminate duplicates Z: 42 29.069 2.070 0.614 0.481 0.902 0.537 CA 1.536 42 residues pruned to eliminate duplicates Z: 20 12.542 1.992 0.216 0.509 0.842 0.526 CB 1.398 20 residues pruned to eliminate duplicates Z: 8 8.185 1.749 0.472 0.802 0.857 0.571 CA 1.077 8 residues pruned to eliminate duplicates Z: 10 10.880 1.614 0.782 0.608 1.000 0.778 CB 1.138 10 residues pruned to eliminate duplicates Z: 9 13.776 2.010 0.709 0.551 0.875 0.750 CA 1.542 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 6.268 1.804 0.264 0.155 0.800 0.333 CB 1.354 17 residues pruned to eliminate duplicates Z: 6 4.185 1.543 0.769 0.370 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 10 3.357 1.799 0.648 0.180 0.556 0.111 CB 0.999 10 residues pruned to eliminate duplicates Z: 10 4.549 1.724 0.583 0.200 0.667 0.444 CB 1.191 10 residues pruned to eliminate duplicates Z: 14 5.908 1.827 0.401 0.250 0.692 0.462 CB 1.233 14 residues pruned to eliminate duplicates Z: 14 4.687 1.817 0.160 0.181 0.769 0.231 CB 1.176 14 residues pruned to eliminate duplicates Z: 9 10.467 1.668 0.274 0.769 1.000 0.625 CA 1.372 Z: 8 16.390 1.814 0.667 0.827 1.000 0.571 C 1.544 8 residues pruned to eliminate duplicates Z: 9 9.706 1.732 0.652 0.775 0.750 0.375 CA 1.254 9 residues pruned to eliminate duplicates Z: 11 5.023 1.504 0.560 0.409 0.700 0.500 CB 1.064 11 residues pruned to eliminate duplicates Z: 9 7.229 1.580 0.289 0.756 0.875 0.375 CA 1.142 9 residues pruned to eliminate duplicates Z: 16 10.975 2.052 0.335 0.405 0.733 0.533 CB 1.559 20 residues pruned to eliminate duplicates Z: 6 2.815 1.782 0.111 0.345 0.800 0.600 CA 0.941 6 residues pruned to eliminate duplicates Z: 6 4.234 1.958 -0.013 0.347 0.800 0.800 CB 1.447 6 residues pruned to eliminate duplicates Z: 12 7.100 2.153 -0.033 0.369 0.727 0.636 CB 1.626 12 residues pruned to eliminate duplicates Z: 11 8.213 2.106 0.081 0.407 0.800 0.400 CB 1.571 11 residues pruned to eliminate duplicates Z: 13 6.318 1.922 0.247 0.226 0.750 0.500 CB 1.398 13 residues pruned to eliminate duplicates Z: 10 7.929 2.108 0.201 0.376 0.778 0.556 CA 1.531 10 residues pruned to eliminate duplicates Z: 20 7.672 1.937 0.232 0.291 0.684 0.526 CB 1.364 40 residues pruned to eliminate duplicates Z: 13 8.711 2.137 0.270 0.361 0.833 0.333 CB 1.292 Z: 7 11.062 2.140 0.334 0.601 1.000 1.000 CA 1.437 7 residues pruned to eliminate duplicates Z: 13 14.353 1.923 0.629 0.584 0.833 0.583 CA 1.464 13 residues pruned to eliminate duplicates Z: 6 2.472 1.495 0.175 0.476 0.800 0.400 N 0.805 6 residues pruned to eliminate duplicates Z: 16 10.176 1.995 0.037 0.521 0.867 0.800 CA 1.435 16 residues pruned to eliminate duplicates Z: 17 13.267 1.987 0.299 0.560 0.938 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 10 5.274 1.779 0.301 0.326 0.778 0.222 CB 1.182 10 residues pruned to eliminate duplicates Z: 18 13.421 1.920 0.372 0.534 0.882 0.588 CB 1.354 18 residues pruned to eliminate duplicates Z: 10 3.922 1.714 0.255 0.261 0.667 0.444 CB 1.197 9 residues pruned to eliminate duplicates Z: 9 9.160 1.965 -0.068 0.710 0.875 0.500 N 1.672 9 residues pruned to eliminate duplicates Z: 42 26.239 2.125 0.416 0.487 0.951 0.463 CB 1.450 42 residues pruned to eliminate duplicates Z: 10 11.482 1.789 0.432 0.675 1.000 0.556 CA 1.271 10 residues pruned to eliminate duplicates Z: 10 13.894 1.941 0.369 0.715 1.000 0.778 CB 1.434 10 residues pruned to eliminate duplicates Z: 9 12.985 1.963 0.157 0.740 1.000 0.375 CB 1.631 9 residues pruned to eliminate duplicates Z: 6 3.316 1.728 0.053 0.339 0.800 0.000 CA 1.215 6 residues pruned to eliminate duplicates Z: 9 19.928 2.179 0.657 0.757 1.000 0.875 CB 1.553 11 residues pruned to eliminate duplicates Z: 7 3.208 1.396 1.053 0.326 0.667 0.500 N 0.830 7 residues pruned to eliminate duplicates Z: 9 19.506 2.119 0.777 0.736 1.000 0.625 CA 1.483 9 residues pruned to eliminate duplicates Z: 6 8.682 1.690 0.455 0.718 1.000 0.400 N 1.297 6 residues pruned to eliminate duplicates Z: 11 4.993 1.861 0.680 0.310 0.900 0.500 CA 0.693 17 residues pruned to eliminate duplicates Z: 11 4.961 1.879 0.655 0.229 0.800 0.300 CA 0.864 4 residues pruned to eliminate duplicates Z: 7 5.959 1.821 0.242 0.520 1.000 0.333 CA 1.054 7 residues pruned to eliminate duplicates Z: 12 4.784 1.740 0.403 0.235 0.818 0.182 CB 0.982 12 residues pruned to eliminate duplicates Z: 9 2.288 1.549 0.449 0.384 0.875 0.375 CB 0.466 9 residues pruned to eliminate duplicates Z: 14 5.481 1.832 0.621 0.207 0.692 0.308 CA 1.046 11 residues pruned to eliminate duplicates Z: 7 3.313 1.445 0.598 0.357 1.000 0.500 CB 0.683 9 residues pruned to eliminate duplicates Z: 6 5.958 1.458 0.656 0.438 1.000 0.600 C 1.177 6 residues pruned to eliminate duplicates Z: 11 11.891 1.979 0.460 0.651 0.900 0.700 CB 1.256 11 residues pruned to eliminate duplicates Z: 12 10.330 1.916 0.235 0.635 0.909 0.545 CB 1.275 12 residues pruned to eliminate duplicates Z: 13 10.319 1.833 0.322 0.577 1.000 0.833 CB 1.140 13 residues pruned to eliminate duplicates Z: 13 7.691 1.782 0.276 0.478 0.917 0.583 CB 1.089 13 residues pruned to eliminate duplicates Z: 21 9.163 1.809 0.147 0.379 0.900 0.400 CB 1.248 21 residues pruned to eliminate duplicates Z: 11 10.140 2.020 0.269 0.596 0.900 0.400 CB 1.268 11 residues pruned to eliminate duplicates Z: 9 14.810 2.113 0.439 0.680 1.000 0.500 CB 1.459 9 residues pruned to eliminate duplicates Z: 6 2.483 1.648 -0.130 0.574 1.000 0.400 CB 0.721 6 residues pruned to eliminate duplicates Z: 11 10.810 1.984 0.309 0.516 1.000 0.400 CB 1.295 11 residues pruned to eliminate duplicates Z: 10 11.036 2.052 0.316 0.602 0.889 0.444 CB 1.390 10 residues pruned to eliminate duplicates Z: 11 9.971 1.951 0.383 0.634 0.900 0.500 CB 1.146 11 residues pruned to eliminate duplicates Z: 7 4.149 2.153 0.094 0.083 1.000 0.500 CB 1.233 7 residues pruned to eliminate duplicates Z: 29 18.053 2.055 0.390 0.377 0.857 0.464 CB 1.589 29 residues pruned to eliminate duplicates Z: 19 12.148 2.094 0.371 0.283 0.778 0.444 CB 1.637 19 residues pruned to eliminate duplicates Z: 35 17.137 2.029 0.394 0.331 0.824 0.441 CA 1.518 42 residues pruned to eliminate duplicates Z: 6 7.389 1.959 0.281 0.515 1.000 0.400 CA 1.298 6 residues pruned to eliminate duplicates Z: 27 20.082 2.027 0.533 0.397 0.846 0.500 CB 1.670 27 residues pruned to eliminate duplicates Z: 31 18.670 2.051 0.322 0.388 0.900 0.467 CA 1.571 31 residues pruned to eliminate duplicates Z: 23 12.660 1.986 0.293 0.298 0.818 0.500 CA 1.611 23 residues pruned to eliminate duplicates Z: 30 19.696 2.044 0.449 0.346 0.931 0.517 CA 1.568 30 residues pruned to eliminate duplicates Z: 28 19.503 2.074 0.590 0.323 0.852 0.481 CA 1.623 28 residues pruned to eliminate duplicates Z: 28 17.469 2.048 0.440 0.365 0.852 0.519 CB 1.547 28 residues pruned to eliminate duplicates Z: 23 18.081 2.075 0.386 0.406 0.909 0.500 CA 1.626 23 residues pruned to eliminate duplicates Z: 28 18.276 2.018 0.436 0.401 0.889 0.593 CB 1.515 28 residues pruned to eliminate duplicates Z: 28 18.156 2.061 0.519 0.338 0.852 0.556 CB 1.564 28 residues pruned to eliminate duplicates Z: 29 17.346 1.999 0.328 0.385 0.893 0.500 CB 1.563 29 residues pruned to eliminate duplicates Z: 15 17.588 1.981 0.848 0.485 0.786 0.500 CA 1.658 15 residues pruned to eliminate duplicates Z: 26 18.791 2.076 0.387 0.369 0.920 0.520 CA 1.633 26 residues pruned to eliminate duplicates Z: 31 18.792 2.053 0.416 0.379 0.867 0.500 CB 1.550 31 residues pruned to eliminate duplicates Z: 38 15.073 1.980 0.306 0.293 0.865 0.432 CA 1.397 38 residues pruned to eliminate duplicates Z: 8 6.008 1.978 0.278 0.462 0.857 0.714 CA 1.090 8 residues pruned to eliminate duplicates Z: 11 9.248 1.983 0.365 0.494 1.000 0.700 CA 1.086 11 residues pruned to eliminate duplicates Z: 12 8.984 1.951 0.447 0.410 0.909 0.545 CA 1.160 12 residues pruned to eliminate duplicates Z: 14 6.902 1.687 0.534 0.428 0.846 0.538 CA 0.942 14 residues pruned to eliminate duplicates Z: 17 8.415 1.835 0.362 0.344 0.938 0.500 CA 1.063 17 residues pruned to eliminate duplicates Z: 17 8.338 1.924 0.442 0.300 0.812 0.375 CA 1.156 17 residues pruned to eliminate duplicates Z: 27 14.384 1.942 0.502 0.403 0.846 0.654 CA 1.266 27 residues pruned to eliminate duplicates Z: 17 7.586 1.853 0.395 0.264 0.875 0.438 CA 1.097 17 residues pruned to eliminate duplicates Z: 6 3.241 1.600 0.110 0.299 0.800 0.600 CA 1.277 6 residues pruned to eliminate duplicates Z: 7 5.355 1.789 0.417 0.355 0.833 0.500 CA 1.210 7 residues pruned to eliminate duplicates Z: 18 7.306 1.910 0.192 0.358 0.765 0.353 CA 1.186 18 residues pruned to eliminate duplicates Z: 22 14.537 1.987 0.426 0.416 0.905 0.524 CB 1.350 22 residues pruned to eliminate duplicates Z: 30 17.206 2.052 0.472 0.466 0.862 0.586 CA 1.270 30 residues pruned to eliminate duplicates Z: 7 7.195 1.466 0.685 0.529 1.000 0.833 CA 1.156 7 residues pruned to eliminate duplicates Z: 24 16.234 2.048 0.495 0.466 0.870 0.609 CB 1.316 24 residues pruned to eliminate duplicates Z: 29 13.630 1.909 0.562 0.401 0.857 0.643 CA 1.118 29 residues pruned to eliminate duplicates Z: 23 17.980 2.086 0.517 0.517 0.909 0.636 CB 1.311 23 residues pruned to eliminate duplicates Z: 23 14.953 2.053 0.368 0.493 0.864 0.636 CB 1.323 23 residues pruned to eliminate duplicates Z: 25 17.307 1.990 0.531 0.495 0.917 0.708 CB 1.271 25 residues pruned to eliminate duplicates Z: 24 13.817 1.958 0.675 0.389 0.826 0.478 CB 1.196 24 residues pruned to eliminate duplicates Z: 32 14.477 1.959 0.359 0.487 0.806 0.548 CB 1.227 28 residues pruned to eliminate duplicates Z: 6 5.589 1.690 0.572 0.573 0.800 0.600 CB 1.096 6 residues pruned to eliminate duplicates Z: 24 15.814 2.030 0.440 0.473 0.870 0.522 CB 1.333 28 residues pruned to eliminate duplicates Z: 6 3.407 1.702 0.501 0.403 0.800 0.400 CB 0.825 6 residues pruned to eliminate duplicates Z: 24 15.469 2.032 0.513 0.435 0.826 0.565 CB 1.359 24 residues pruned to eliminate duplicates Z: 13 8.309 1.983 0.321 0.443 0.833 0.667 CB 1.165 13 residues pruned to eliminate duplicates Z: 23 14.329 2.007 0.453 0.457 0.818 0.636 CA 1.338 23 residues pruned to eliminate duplicates Z: 13 8.638 2.032 0.423 0.368 0.833 0.500 CB 1.192 13 residues pruned to eliminate duplicates Z: 23 16.245 2.208 0.640 0.319 0.773 0.500 CB 1.511 23 residues pruned to eliminate duplicates Z: 32 19.763 2.117 0.591 0.404 0.839 0.645 CA 1.389 32 residues pruned to eliminate duplicates Z: 24 15.929 2.139 0.603 0.322 0.870 0.652 CA 1.355 24 residues pruned to eliminate duplicates Z: 14 11.900 2.075 0.506 0.342 0.923 0.538 CB 1.357 14 residues pruned to eliminate duplicates Z: 17 9.751 2.076 0.463 0.243 0.812 0.500 CA 1.329 17 residues pruned to eliminate duplicates Z: 17 7.978 2.061 0.451 0.189 0.812 0.375 CB 1.190 17 residues pruned to eliminate duplicates Z: 14 6.560 1.950 0.620 0.251 0.846 0.462 CA 0.906 14 residues pruned to eliminate duplicates Z: 31 16.341 2.117 0.498 0.402 0.800 0.667 CB 1.304 31 residues pruned to eliminate duplicates Z: 25 17.626 2.230 0.650 0.276 0.833 0.542 CB 1.511 25 residues pruned to eliminate duplicates Z: 27 19.977 2.191 0.591 0.428 0.885 0.500 CA 1.368 27 residues pruned to eliminate duplicates Z: 30 22.531 2.191 0.543 0.441 0.897 0.690 CA 1.467 30 residues pruned to eliminate duplicates Z: 22 19.834 2.275 0.741 0.321 0.905 0.619 CB 1.473 22 residues pruned to eliminate duplicates Z: 29 18.284 2.153 0.636 0.425 0.821 0.500 CB 1.292 29 residues pruned to eliminate duplicates Z: 25 14.884 2.226 0.591 0.249 0.792 0.542 CB 1.447 25 residues pruned to eliminate duplicates Z: 15 13.082 2.218 0.724 0.320 0.786 0.286 CA 1.419 15 residues pruned to eliminate duplicates Z: 25 15.649 2.192 0.706 0.267 0.792 0.458 CB 1.407 25 residues pruned to eliminate duplicates Z: 22 20.238 2.129 0.640 0.480 0.905 0.571 CA 1.425 22 residues pruned to eliminate duplicates Z: 19 14.541 2.256 0.676 0.322 0.833 0.500 CA 1.323 19 residues pruned to eliminate duplicates Z: 23 15.802 2.206 0.705 0.327 0.773 0.545 CA 1.402 23 residues pruned to eliminate duplicates Z: 29 18.994 2.117 0.616 0.418 0.857 0.643 CA 1.334 29 residues pruned to eliminate duplicates Z: 18 18.435 2.306 0.821 0.359 0.882 0.529 CA 1.406 18 residues pruned to eliminate duplicates Z: 32 28.060 2.163 0.529 0.603 0.871 0.742 CB 1.586 32 residues pruned to eliminate duplicates Z: 44 30.170 2.133 0.639 0.464 0.930 0.558 CA 1.468 44 residues pruned to eliminate duplicates Z: 44 27.306 2.148 0.451 0.490 0.884 0.558 CB 1.526 44 residues pruned to eliminate duplicates Z: 33 21.965 2.086 0.665 0.321 0.906 0.438 CA 1.504 33 residues pruned to eliminate duplicates Z: 21 22.278 2.124 0.398 0.673 0.950 0.850 CA 1.506 21 residues pruned to eliminate duplicates Z: 49 25.472 2.076 0.565 0.440 0.875 0.500 CA 1.375 49 residues pruned to eliminate duplicates Z: 48 27.670 2.094 0.559 0.421 0.915 0.660 CB 1.466 48 residues pruned to eliminate duplicates Z: 22 22.887 2.120 0.451 0.634 0.905 0.619 CB 1.583 22 residues pruned to eliminate duplicates Z: 41 27.312 2.174 0.597 0.494 0.850 0.575 CB 1.473 41 residues pruned to eliminate duplicates Z: 21 26.401 2.148 0.444 0.735 1.000 0.800 CB 1.541 21 residues pruned to eliminate duplicates Z: 47 28.960 2.138 0.610 0.432 0.870 0.587 CA 1.531 47 residues pruned to eliminate duplicates Z: 22 25.211 2.130 0.508 0.669 1.000 0.762 CA 1.465 22 residues pruned to eliminate duplicates Z: 25 22.157 2.034 0.307 0.591 1.000 0.625 CB 1.560 25 residues pruned to eliminate duplicates Z: 24 24.779 2.085 0.500 0.622 0.957 0.652 CA 1.539 24 residues pruned to eliminate duplicates Z: 24 23.963 2.076 0.566 0.562 0.957 0.522 CA 1.513 24 residues pruned to eliminate duplicates Z: 23 21.562 2.076 0.544 0.584 0.909 0.682 CB 1.455 23 residues pruned to eliminate duplicates Z: 22 24.466 2.132 0.529 0.606 0.952 0.762 CA 1.554 22 residues pruned to eliminate duplicates Z: 47 29.815 2.152 0.583 0.453 0.870 0.609 CB 1.558 47 residues pruned to eliminate duplicates Z: 24 22.250 2.125 0.398 0.610 0.913 0.696 CB 1.541 24 residues pruned to eliminate duplicates Z: 34 23.587 2.130 0.556 0.528 0.848 0.667 CA 1.420 34 residues pruned to eliminate duplicates Z: 37 25.180 2.160 0.459 0.517 0.861 0.611 CA 1.520 37 residues pruned to eliminate duplicates Z: 43 29.167 2.181 0.639 0.460 0.833 0.619 CB 1.574 43 residues pruned to eliminate duplicates Z: 42 23.088 2.082 0.440 0.474 0.829 0.610 CA 1.488 42 residues pruned to eliminate duplicates Z: 23 18.927 2.113 0.611 0.456 0.909 0.500 CA 1.364 23 residues pruned to eliminate duplicates Z: 29 21.459 2.148 0.751 0.411 0.893 0.500 CB 1.325 29 residues pruned to eliminate duplicates Z: 30 25.824 2.154 0.802 0.424 0.897 0.552 CB 1.491 39 residues pruned to eliminate duplicates Z: 32 20.285 2.097 0.707 0.344 0.839 0.419 CB 1.437 32 residues pruned to eliminate duplicates Z: 7 7.093 2.026 0.121 0.744 0.833 0.333 CB 1.229 Z: 12 19.706 2.186 0.392 0.766 1.000 0.636 CA 1.542 12 residues pruned to eliminate duplicates Z: 60 41.527 2.147 0.608 0.556 0.932 0.458 CB 1.592 75 residues pruned to eliminate duplicates Z: 10 16.817 2.209 0.284 0.864 1.000 0.556 CA 1.450 10 residues pruned to eliminate duplicates Z: 41 30.678 2.126 0.636 0.474 0.925 0.500 CB 1.548 41 residues pruned to eliminate duplicates Z: 33 24.904 2.198 0.562 0.484 0.906 0.594 CB 1.437 33 residues pruned to eliminate duplicates Z: 23 22.296 2.012 0.415 0.581 0.955 0.500 CB 1.617 23 residues pruned to eliminate duplicates Z: 55 42.172 2.169 0.612 0.579 0.981 0.611 CB 1.550 55 residues pruned to eliminate duplicates Z: 45 29.118 2.170 0.580 0.524 0.886 0.614 CB 1.411 45 residues pruned to eliminate duplicates Z: 57 38.255 2.097 0.666 0.518 0.929 0.429 CB 1.547 57 residues pruned to eliminate duplicates Z: 59 38.997 2.158 0.517 0.569 0.914 0.431 CB 1.602 59 residues pruned to eliminate duplicates Z: 34 22.776 2.182 0.429 0.517 0.909 0.515 CB 1.376 34 residues pruned to eliminate duplicates Z: 33 27.131 2.224 0.666 0.527 0.906 0.531 CB 1.391 33 residues pruned to eliminate duplicates Z: 60 43.411 2.207 0.594 0.587 0.932 0.576 CB 1.585 60 residues pruned to eliminate duplicates Z: 57 39.508 2.170 0.591 0.538 0.929 0.643 CB 1.586 60 residues pruned to eliminate duplicates Z: 7 4.693 2.058 0.262 0.359 0.667 0.333 CA 1.288 7 residues pruned to eliminate duplicates Z: 34 25.249 2.168 0.624 0.527 0.939 0.576 CB 1.294 34 residues pruned to eliminate duplicates Z: 60 43.775 2.219 0.611 0.570 0.932 0.542 CB 1.599 57 residues pruned to eliminate duplicates Z: 43 28.334 2.083 0.518 0.497 0.929 0.524 CB 1.493 43 residues pruned to eliminate duplicates Z: 34 29.506 2.236 0.605 0.504 0.970 0.485 CB 1.470 34 residues pruned to eliminate duplicates Z: 17 12.826 2.261 0.561 0.309 0.875 0.438 CB 1.284 17 residues pruned to eliminate duplicates Z: 58 41.937 2.181 0.599 0.538 0.947 0.561 CB 1.621 58 residues pruned to eliminate duplicates Z: 11 11.122 2.282 0.544 0.420 0.900 0.800 CB 1.205 11 residues pruned to eliminate duplicates Z: 27 17.261 2.114 0.631 0.335 0.808 0.538 CB 1.456 27 residues pruned to eliminate duplicates Z: 58 45.763 2.190 0.680 0.557 0.965 0.561 CB 1.616 58 residues pruned to eliminate duplicates Z: 56 42.259 2.205 0.741 0.543 0.945 0.473 CB 1.506 56 residues pruned to eliminate duplicates Z: 41 38.253 2.258 0.630 0.521 0.950 0.625 CB 1.694 41 residues pruned to eliminate duplicates Z: 63 41.594 2.175 0.552 0.572 0.935 0.548 CA 1.560 63 residues pruned to eliminate duplicates Z: 58 44.368 2.171 0.714 0.530 0.965 0.596 CB 1.588 58 residues pruned to eliminate duplicates Z: 58 43.173 2.200 0.666 0.547 0.930 0.526 CB 1.602 57 residues pruned to eliminate duplicates Z: 6 6.921 1.644 0.648 0.396 1.000 0.600 CB 1.275 Z: 26 24.776 2.071 0.543 0.560 1.000 0.560 CA 1.462 26 residues pruned to eliminate duplicates Z: 28 26.383 2.151 0.679 0.587 0.889 0.370 CA 1.455 28 residues pruned to eliminate duplicates Z: 42 33.283 2.101 0.461 0.627 1.000 0.537 CA 1.502 46 residues pruned to eliminate duplicates Z: 17 31.971 2.140 0.634 0.883 1.000 0.688 CA 1.653 17 residues pruned to eliminate duplicates Z: 60 41.199 2.186 0.570 0.547 0.949 0.525 CA 1.572 60 residues pruned to eliminate duplicates Z: 26 27.639 2.162 0.694 0.676 0.880 0.520 CA 1.459 26 residues pruned to eliminate duplicates Z: 28 28.475 2.154 0.636 0.629 0.926 0.481 CA 1.488 29 residues pruned to eliminate duplicates Z: 17 30.531 2.069 0.830 0.893 0.875 0.375 CB 1.654 18 residues pruned to eliminate duplicates Z: 59 40.501 2.184 0.599 0.563 0.931 0.500 CB 1.539 59 residues pruned to eliminate duplicates Z: 60 41.968 2.207 0.590 0.550 0.915 0.492 CB 1.619 60 residues pruned to eliminate duplicates Z: 29 27.773 2.116 0.750 0.610 0.857 0.500 CA 1.489 29 residues pruned to eliminate duplicates Z: 47 36.321 2.227 0.704 0.479 0.891 0.478 CB 1.618 47 residues pruned to eliminate duplicates Z: 27 20.758 1.935 0.590 0.565 0.923 0.462 CB 1.347 27 residues pruned to eliminate duplicates Z: 27 27.269 2.110 0.550 0.625 0.923 0.423 CA 1.574 27 residues pruned to eliminate duplicates Z: 59 41.954 2.213 0.629 0.564 0.897 0.534 CB 1.602 59 residues pruned to eliminate duplicates Z: 29 29.455 2.103 0.701 0.639 0.893 0.357 CA 1.530 29 residues pruned to eliminate duplicates Z: 7 3.285 1.967 0.287 0.372 0.667 0.333 CA 0.910 7 residues pruned to eliminate duplicates Z: 6 2.271 1.796 0.359 0.390 0.600 0.600 CA 0.779 6 residues pruned to eliminate duplicates Z: 9 7.859 1.935 0.330 0.407 0.750 0.125 CA 1.587 8 residues pruned to eliminate duplicates Z: 6 2.834 1.638 -0.019 0.424 0.800 0.200 N 1.067 6 residues pruned to eliminate duplicates Z: 17 9.665 2.021 0.103 0.377 0.875 0.375 CA 1.412 17 residues pruned to eliminate duplicates Z: 31 16.525 2.050 0.178 0.357 0.933 0.433 CA 1.561 31 residues pruned to eliminate duplicates Z: 28 11.741 1.893 0.131 0.304 0.926 0.519 CB 1.418 28 residues pruned to eliminate duplicates Z: 31 12.855 1.819 0.278 0.297 0.867 0.533 CB 1.462 31 residues pruned to eliminate duplicates Z: 13 5.305 1.844 0.000 0.289 0.833 0.333 CA 1.262 13 residues pruned to eliminate duplicates Z: 26 11.440 1.898 0.159 0.330 0.920 0.280 CA 1.363 26 residues pruned to eliminate duplicates Z: 9 3.585 1.889 0.086 0.350 0.750 0.125 CA 0.969 9 residues pruned to eliminate duplicates Z: 33 14.142 1.914 0.324 0.343 0.906 0.562 CA 1.291 33 residues pruned to eliminate duplicates Z: 25 15.995 1.902 0.328 0.387 1.000 0.583 CB 1.457 25 residues pruned to eliminate duplicates Z: 33 13.924 1.988 0.179 0.380 0.812 0.438 CA 1.469 33 residues pruned to eliminate duplicates Z: 25 12.050 1.957 0.239 0.336 0.833 0.583 CB 1.456 25 residues pruned to eliminate duplicates Z: 32 14.332 1.952 0.231 0.345 0.871 0.452 CB 1.454 32 residues pruned to eliminate duplicates Z: 24 11.589 1.984 0.277 0.330 0.783 0.348 CA 1.469 24 residues pruned to eliminate duplicates Z: 25 14.567 1.950 0.368 0.299 0.917 0.458 CB 1.523 25 residues pruned to eliminate duplicates Z: 25 15.181 1.948 0.436 0.362 0.917 0.500 CB 1.403 25 residues pruned to eliminate duplicates Z: 25 15.680 1.956 0.298 0.356 1.000 0.542 CA 1.472 25 residues pruned to eliminate duplicates Z: 33 16.696 1.995 0.330 0.344 0.875 0.469 CB 1.507 33 residues pruned to eliminate duplicates Z: 33 13.441 1.862 0.286 0.308 0.906 0.500 CA 1.354 33 residues pruned to eliminate duplicates Z: 21 12.055 1.946 0.338 0.324 0.900 0.600 CB 1.396 21 residues pruned to eliminate duplicates Z: 31 15.784 1.957 0.422 0.334 0.867 0.533 CA 1.433 31 residues pruned to eliminate duplicates Z: 21 13.888 1.974 0.352 0.377 0.950 0.500 CA 1.396 21 residues pruned to eliminate duplicates Z: 25 11.333 1.853 0.407 0.361 0.875 0.625 CB 1.177 25 residues pruned to eliminate duplicates Z: 41 15.511 1.902 0.255 0.335 0.875 0.425 CA 1.406 42 residues pruned to eliminate duplicates 6 1.802 1.473 0.071 0.411 0.600 0.600 CA 0.935 ? Z: 13 14.254 1.905 0.521 0.834 0.833 0.250 CA 1.278 13 residues pruned to eliminate duplicates Z: 21 19.246 2.016 0.831 0.544 0.850 0.250 CA 1.314 21 residues pruned to eliminate duplicates Z: 24 20.197 2.016 0.577 0.562 0.957 0.478 CA 1.304 24 residues pruned to eliminate duplicates Z: 21 21.086 2.000 0.891 0.572 0.800 0.400 CA 1.454 21 residues pruned to eliminate duplicates Z: 37 22.650 2.016 0.631 0.515 0.833 0.444 CA 1.358 37 residues pruned to eliminate duplicates Z: 13 15.160 2.085 0.728 0.595 0.750 0.500 CA 1.478 13 residues pruned to eliminate duplicates Z: 25 19.357 1.991 0.638 0.537 0.833 0.417 CA 1.402 25 residues pruned to eliminate duplicates Z: 56 36.019 2.139 0.524 0.588 0.891 0.545 CA 1.537 56 residues pruned to eliminate duplicates Z: 62 40.906 2.105 0.627 0.600 0.918 0.525 CA 1.514 52 residues pruned to eliminate duplicates Z: 6 2.417 1.226 0.668 0.430 1.000 0.400 CA 0.569 6 residues pruned to eliminate duplicates Z: 12 13.371 2.259 0.804 0.441 0.727 0.545 CA 1.446 12 residues pruned to eliminate duplicates Z: 40 31.526 2.181 0.470 0.615 0.897 0.718 CA 1.573 40 residues pruned to eliminate duplicates Z: 14 12.138 2.153 0.775 0.358 0.769 0.462 CA 1.335 14 residues pruned to eliminate duplicates Z: 13 14.143 2.273 0.694 0.414 0.750 0.500 CA 1.547 13 residues pruned to eliminate duplicates Z: 39 35.152 2.177 0.550 0.606 0.947 0.737 CB 1.613 39 residues pruned to eliminate duplicates Z: 6 3.214 1.819 0.166 0.295 0.800 0.600 CA 1.066 6 residues pruned to eliminate duplicates Z: 49 28.346 2.079 0.473 0.522 0.896 0.583 CA 1.460 45 residues pruned to eliminate duplicates Z: 21 18.011 1.982 0.173 0.796 1.000 0.700 CB 1.336 21 residues pruned to eliminate duplicates Z: 34 27.560 2.129 0.614 0.502 0.939 0.606 CA 1.484 34 residues pruned to eliminate duplicates Z: 55 30.068 2.084 0.529 0.571 0.870 0.444 CA 1.377 55 residues pruned to eliminate duplicates Z: 26 25.301 2.129 0.293 0.684 1.000 0.680 CB 1.552 26 residues pruned to eliminate duplicates Z: 57 33.856 2.064 0.567 0.599 0.857 0.554 CB 1.486 44 residues pruned to eliminate duplicates Z: 19 20.599 2.013 0.231 0.894 1.000 0.722 CB 1.406 19 residues pruned to eliminate duplicates Z: 31 22.681 2.075 0.431 0.611 0.900 0.600 CB 1.394 31 residues pruned to eliminate duplicates Z: 38 34.351 2.170 0.612 0.621 0.919 0.595 CB 1.568 38 residues pruned to eliminate duplicates Z: 41 31.027 2.102 0.645 0.556 0.850 0.675 CA 1.581 41 residues pruned to eliminate duplicates Z: 41 33.429 2.124 0.639 0.601 0.900 0.600 CB 1.532 41 residues pruned to eliminate duplicates Z: 39 34.025 2.194 0.686 0.616 0.842 0.632 CB 1.587 43 residues pruned to eliminate duplicates Z: 16 25.629 2.195 0.484 0.919 1.000 0.667 CB 1.432 16 residues pruned to eliminate duplicates Z: 28 33.450 2.084 0.669 0.711 1.000 0.630 CB 1.528 28 residues pruned to eliminate duplicates Z: 19 21.699 2.050 0.435 0.895 0.889 0.556 CB 1.402 19 residues pruned to eliminate duplicates Z: 27 30.060 2.146 0.603 0.728 0.923 0.615 CB 1.512 27 residues pruned to eliminate duplicates Z: 34 26.707 2.103 0.466 0.612 0.909 0.515 CB 1.492 34 residues pruned to eliminate duplicates Z: 62 35.193 2.085 0.591 0.585 0.852 0.541 CA 1.469 62 residues pruned to eliminate duplicates Z: 62 38.270 2.114 0.505 0.611 0.902 0.508 CA 1.537 62 residues pruned to eliminate duplicates Z: 24 17.885 1.975 0.631 0.579 0.739 0.391 CA 1.452 24 residues pruned to eliminate duplicates Z: 7 3.086 1.864 0.257 0.141 0.833 0.500 CA 1.006 7 residues pruned to eliminate duplicates Z: 51 28.400 2.050 0.503 0.531 0.820 0.500 CB 1.542 51 residues pruned to eliminate duplicates Z: 22 18.623 2.010 0.633 0.562 0.810 0.238 CA 1.440 22 residues pruned to eliminate duplicates Z: 9 5.368 1.861 0.330 0.328 0.750 0.250 CB 1.234 9 residues pruned to eliminate duplicates Z: 10 4.875 1.764 0.373 0.302 0.889 0.222 CA 0.941 10 residues pruned to eliminate duplicates Z: 22 16.339 1.964 0.492 0.575 0.810 0.381 CA 1.397 22 residues pruned to eliminate duplicates Z: 18 12.998 1.868 0.361 0.516 0.882 0.471 CB 1.383 18 residues pruned to eliminate duplicates Z: 22 19.583 1.895 0.569 0.606 0.952 0.238 CA 1.365 22 residues pruned to eliminate duplicates Z: 22 15.392 1.963 0.717 0.494 0.762 0.333 CA 1.316 22 residues pruned to eliminate duplicates Z: 37 22.183 2.026 0.686 0.461 0.833 0.389 CA 1.351 37 residues pruned to eliminate duplicates Z: 13 14.587 1.903 0.541 0.536 0.917 0.583 CB 1.512 14 residues pruned to eliminate duplicates Z: 6 3.177 1.397 0.472 0.454 0.800 0.200 CB 0.905 6 residues pruned to eliminate duplicates Z: 23 13.394 1.814 0.739 0.389 0.909 0.455 CB 1.120 23 residues pruned to eliminate duplicates Z: 21 11.672 1.832 0.667 0.352 0.750 0.350 CB 1.338 21 residues pruned to eliminate duplicates Z: 10 2.808 1.600 1.083 0.159 0.667 0.444 CB 0.640 10 residues pruned to eliminate duplicates Z: 9 3.124 1.675 0.654 0.212 0.750 0.250 CB 0.746 9 residues pruned to eliminate duplicates Z: 21 12.189 1.824 0.483 0.423 0.850 0.450 CB 1.285 20 residues pruned to eliminate duplicates Z: 6 6.787 1.651 0.415 0.555 1.000 0.600 C 1.232 6 residues pruned to eliminate duplicates Z: 9 7.774 1.900 0.183 0.516 0.875 0.375 CA 1.375 9 residues pruned to eliminate duplicates Z: 17 8.703 1.816 0.368 0.341 0.875 0.375 CA 1.190 17 residues pruned to eliminate duplicates Z: 28 14.499 1.922 0.301 0.426 0.889 0.519 CA 1.355 28 residues pruned to eliminate duplicates Z: 46 21.699 1.957 0.469 0.392 0.889 0.578 CB 1.418 54 residues pruned to eliminate duplicates Z: 6 3.950 1.613 0.364 0.421 0.800 0.000 CA 1.090 6 residues pruned to eliminate duplicates Z: 32 17.271 1.987 0.404 0.391 0.903 0.548 CA 1.382 32 residues pruned to eliminate duplicates Z: 30 17.529 1.946 0.379 0.399 0.966 0.586 CB 1.397 30 residues pruned to eliminate duplicates Z: 20 7.869 1.792 0.391 0.255 0.789 0.421 CA 1.215 20 residues pruned to eliminate duplicates Z: 35 15.287 1.974 0.374 0.410 0.853 0.471 CA 1.246 35 residues pruned to eliminate duplicates Z: 30 15.660 1.944 0.481 0.420 0.862 0.552 CB 1.274 30 residues pruned to eliminate duplicates Z: 45 20.455 1.942 0.426 0.433 0.886 0.591 CA 1.347 45 residues pruned to eliminate duplicates Z: 20 9.930 1.907 0.405 0.340 0.789 0.474 CA 1.282 20 residues pruned to eliminate duplicates Z: 41 16.965 1.929 0.266 0.412 0.875 0.475 CA 1.377 41 residues pruned to eliminate duplicates Z: 35 13.137 1.906 0.361 0.441 0.794 0.412 CA 1.163 35 residues pruned to eliminate duplicates Z: 30 17.873 1.941 0.465 0.415 0.966 0.552 CA 1.321 30 residues pruned to eliminate duplicates Z: 44 19.248 1.947 0.342 0.441 0.884 0.628 CA 1.352 44 residues pruned to eliminate duplicates Z: 61 24.728 1.945 0.587 0.411 0.850 0.517 CA 1.337 61 residues pruned to eliminate duplicates Z: 6 4.059 1.703 0.086 0.448 1.000 0.800 CA 1.035 6 residues pruned to eliminate duplicates Z: 32 14.260 1.963 0.347 0.346 0.839 0.581 CA 1.366 32 residues pruned to eliminate duplicates Z: 44 16.507 1.873 0.279 0.417 0.884 0.605 CA 1.296 44 residues pruned to eliminate duplicates Z: 34 17.205 1.976 0.430 0.402 0.879 0.545 CA 1.337 34 residues pruned to eliminate duplicates Z: 44 19.051 1.964 0.347 0.416 0.907 0.558 CA 1.322 44 residues pruned to eliminate duplicates Z: 33 16.208 1.947 0.422 0.365 0.844 0.562 CA 1.418 33 residues pruned to eliminate duplicates Z: 46 19.232 1.924 0.382 0.459 0.889 0.578 CB 1.265 46 residues pruned to eliminate duplicates Z: 33 14.707 1.844 0.469 0.436 0.938 0.406 CB 1.094 33 residues pruned to eliminate duplicates Z: 35 19.527 1.990 0.506 0.425 0.941 0.559 CA 1.283 35 residues pruned to eliminate duplicates Z: 47 17.935 1.869 0.378 0.409 0.870 0.543 CA 1.300 47 residues pruned to eliminate duplicates Z: 12 14.746 2.001 0.571 0.550 1.000 0.273 CA 1.347 12 residues pruned to eliminate duplicates Z: 12 11.442 1.965 0.474 0.545 0.818 0.364 CA 1.393 12 residues pruned to eliminate duplicates Z: 38 17.252 1.938 0.488 0.403 0.865 0.432 CA 1.260 38 residues pruned to eliminate duplicates Z: 24 13.057 2.045 0.415 0.351 0.870 0.391 CB 1.271 24 residues pruned to eliminate duplicates Z: 20 12.164 1.726 0.385 0.542 0.895 0.421 CA 1.252 20 residues pruned to eliminate duplicates Z: 13 8.755 1.899 0.250 0.518 0.833 0.167 CB 1.254 13 residues pruned to eliminate duplicates Z: 9 7.482 1.994 0.232 0.556 0.750 0.250 CB 1.359 9 residues pruned to eliminate duplicates 6 1.414 1.587 -0.156 0.333 0.600 0.200 CB 0.944 ? Z: 18 13.489 1.928 0.501 0.539 0.824 0.529 CB 1.321 18 residues pruned to eliminate duplicates Z: 20 25.625 2.105 0.842 0.664 0.895 0.526 CA 1.456 20 residues pruned to eliminate duplicates Z: 17 18.083 1.911 0.688 0.579 0.812 0.250 CB 1.599 17 residues pruned to eliminate duplicates Z: 18 19.879 2.021 0.622 0.552 0.882 0.176 CA 1.584 18 residues pruned to eliminate duplicates Z: 35 25.617 2.129 0.642 0.478 0.794 0.412 CA 1.619 35 residues pruned to eliminate duplicates Z: 23 23.307 2.030 0.613 0.618 0.909 0.409 CA 1.493 23 residues pruned to eliminate duplicates Z: 20 17.678 2.024 0.543 0.580 0.895 0.421 CA 1.343 20 residues pruned to eliminate duplicates Z: 23 25.191 2.018 0.881 0.606 0.864 0.364 CA 1.481 23 residues pruned to eliminate duplicates Z: 13 15.001 2.112 0.678 0.599 0.833 0.333 CA 1.335 13 residues pruned to eliminate duplicates Z: 41 29.177 2.070 0.573 0.508 0.900 0.450 CA 1.561 41 residues pruned to eliminate duplicates Z: 33 22.105 2.090 0.377 0.489 0.875 0.375 CA 1.569 33 residues pruned to eliminate duplicates Z: 79 30.702 2.048 0.469 0.432 0.846 0.436 CA 1.466 79 residues pruned to eliminate duplicates Z: 42 24.868 2.055 0.557 0.450 0.829 0.366 CA 1.541 42 residues pruned to eliminate duplicates Z: 47 24.200 2.063 0.507 0.477 0.826 0.370 CB 1.422 47 residues pruned to eliminate duplicates Z: 31 27.348 2.059 0.727 0.626 0.833 0.333 CA 1.496 31 residues pruned to eliminate duplicates Z: 39 28.456 2.117 0.505 0.511 0.921 0.368 CB 1.556 39 residues pruned to eliminate duplicates Z: 40 23.501 2.045 0.570 0.482 0.821 0.385 CA 1.455 40 residues pruned to eliminate duplicates Z: 43 26.953 2.091 0.482 0.484 0.857 0.381 CA 1.591 43 residues pruned to eliminate duplicates Z: 35 23.244 2.147 0.492 0.481 0.853 0.471 CA 1.488 35 residues pruned to eliminate duplicates Z: 48 26.945 2.109 0.489 0.484 0.809 0.362 CB 1.574 48 residues pruned to eliminate duplicates Z: 36 25.420 2.109 0.625 0.506 0.800 0.457 CA 1.558 36 residues pruned to eliminate duplicates Z: 34 24.751 2.118 0.533 0.496 0.848 0.364 CA 1.571 34 residues pruned to eliminate duplicates Z: 33 23.946 2.119 0.631 0.509 0.812 0.312 CA 1.494 33 residues pruned to eliminate duplicates Z: 18 12.091 2.098 0.320 0.304 0.882 0.412 CA 1.492 18 residues pruned to eliminate duplicates Z: 40 27.079 2.098 0.633 0.487 0.846 0.487 CA 1.516 39 residues pruned to eliminate duplicates Z: 8 6.329 1.942 -0.117 0.564 1.000 0.429 CB 1.311 8 residues pruned to eliminate duplicates Z: 40 28.789 2.110 0.641 0.471 0.872 0.385 CA 1.573 40 residues pruned to eliminate duplicates Z: 38 32.408 2.135 0.740 0.489 0.946 0.405 CA 1.533 38 residues pruned to eliminate duplicates Z: 47 23.184 2.014 0.555 0.462 0.739 0.370 CA 1.536 47 residues pruned to eliminate duplicates Z: 53 26.146 2.030 0.417 0.515 0.846 0.365 CB 1.468 52 residues pruned to eliminate duplicates Z: 9 12.294 1.673 0.861 0.825 1.000 0.500 CA 1.054 10 residues pruned to eliminate duplicates Z: 9 11.489 1.883 0.562 0.649 1.000 0.500 CA 1.202 9 residues pruned to eliminate duplicates Z: 27 19.195 2.084 0.482 0.423 0.885 0.538 CA 1.493 27 residues pruned to eliminate duplicates Z: 6 2.476 1.536 0.440 0.376 1.000 0.400 CB 0.572 4 residues pruned to eliminate duplicates Z: 25 14.263 1.959 0.148 0.444 0.875 0.417 CB 1.566 23 residues pruned to eliminate duplicates Z: 26 14.591 1.990 0.286 0.387 0.840 0.440 CB 1.530 26 residues pruned to eliminate duplicates Z: 18 16.209 1.995 0.476 0.470 0.941 0.529 CB 1.462 26 residues pruned to eliminate duplicates Z: 7 5.297 1.772 0.861 0.384 0.667 0.667 CA 1.113 7 residues pruned to eliminate duplicates Z: 15 12.685 1.844 0.573 0.406 0.857 0.500 CA 1.505 15 residues pruned to eliminate duplicates Z: 19 18.033 2.012 0.411 0.528 1.000 0.611 CB 1.457 19 residues pruned to eliminate duplicates Z: 6 7.755 1.924 0.908 0.453 1.000 0.800 CA 0.991 6 residues pruned to eliminate duplicates Z: 24 18.306 2.034 0.504 0.453 0.870 0.565 CB 1.507 19 residues pruned to eliminate duplicates Z: 23 15.526 2.007 0.407 0.387 0.864 0.455 CB 1.530 23 residues pruned to eliminate duplicates Z: 24 15.695 1.986 0.320 0.416 0.913 0.522 CB 1.493 24 residues pruned to eliminate duplicates Z: 25 12.860 1.969 0.265 0.384 0.833 0.417 CB 1.431 25 residues pruned to eliminate duplicates Z: 23 13.390 1.968 0.369 0.387 0.818 0.455 CB 1.461 23 residues pruned to eliminate duplicates Z: 20 16.011 2.007 0.412 0.463 0.895 0.474 CB 1.504 17 residues pruned to eliminate duplicates Z: 24 14.034 1.950 0.442 0.365 0.913 0.522 CB 1.318 24 residues pruned to eliminate duplicates Z: 25 13.689 1.991 0.248 0.389 0.833 0.542 CB 1.518 25 residues pruned to eliminate duplicates Z: 23 16.057 2.011 0.471 0.436 0.864 0.591 CB 1.431 23 residues pruned to eliminate duplicates Z: 25 13.976 1.990 0.348 0.390 0.792 0.458 CB 1.509 25 residues pruned to eliminate duplicates Z: 8 4.347 1.881 -0.122 0.530 0.857 0.429 CB 1.126 7 residues pruned to eliminate duplicates Z: 25 13.466 1.930 0.354 0.393 0.875 0.375 CB 1.345 25 residues pruned to eliminate duplicates Z: 8 5.768 1.884 0.059 0.608 1.000 0.429 CB 0.986 7 residues pruned to eliminate duplicates Z: 6 4.369 1.784 0.600 0.247 0.800 0.400 N 1.146 6 residues pruned to eliminate duplicates Z: 36 16.166 1.999 0.333 0.363 0.829 0.514 CB 1.434 36 residues pruned to eliminate duplicates Z: 41 17.450 1.916 0.365 0.426 0.800 0.450 CB 1.425 41 residues pruned to eliminate duplicates Z: 7 7.475 1.991 0.471 0.295 0.833 0.500 CB 1.573 7 residues pruned to eliminate duplicates Z: 12 8.242 1.815 0.319 0.475 0.909 0.636 CB 1.170 12 residues pruned to eliminate duplicates Z: 13 11.557 1.989 0.314 0.451 0.833 0.417 CA 1.610 13 residues pruned to eliminate duplicates Z: 36 17.589 1.939 0.493 0.360 0.886 0.571 CA 1.349 36 residues pruned to eliminate duplicates Z: 14 11.879 1.980 0.400 0.385 0.846 0.231 CB 1.588 14 residues pruned to eliminate duplicates Z: 11 11.215 1.982 0.482 0.502 0.800 0.300 CB 1.506 11 residues pruned to eliminate duplicates Z: 13 11.674 1.974 0.395 0.429 0.833 0.417 CB 1.581 13 residues pruned to eliminate duplicates Z: 19 13.464 2.050 0.302 0.474 0.833 0.500 CB 1.465 19 residues pruned to eliminate duplicates Z: 9 6.856 2.119 0.189 0.357 0.750 0.500 CB 1.497 9 residues pruned to eliminate duplicates Z: 24 16.984 2.049 0.467 0.423 0.913 0.696 CA 1.398 24 residues pruned to eliminate duplicates Z: 10 4.181 2.009 0.033 0.250 0.667 0.556 CB 1.343 10 residues pruned to eliminate duplicates Z: 37 18.335 2.023 0.384 0.414 0.806 0.500 CA 1.482 37 residues pruned to eliminate duplicates Z: 24 16.096 2.064 0.486 0.410 0.870 0.609 CA 1.383 24 residues pruned to eliminate duplicates Z: 7 5.752 1.790 0.260 0.395 0.833 0.667 CB 1.396 7 residues pruned to eliminate duplicates Z: 22 15.679 2.050 0.445 0.445 0.857 0.619 CA 1.425 22 residues pruned to eliminate duplicates Z: 24 13.865 1.990 0.350 0.420 0.870 0.565 CA 1.345 23 residues pruned to eliminate duplicates Z: 6 2.143 1.313 0.665 0.454 1.000 0.800 CB 0.460 6 residues pruned to eliminate duplicates Z: 25 13.646 2.056 0.448 0.386 0.708 0.458 CA 1.491 25 residues pruned to eliminate duplicates Z: 23 16.978 2.048 0.522 0.426 0.864 0.545 CA 1.452 23 residues pruned to eliminate duplicates Z: 10 5.803 2.096 0.541 0.245 0.667 0.444 CA 1.206 11 residues pruned to eliminate duplicates Z: 7 7.731 2.003 0.293 0.479 1.000 0.667 CB 1.245 6 residues pruned to eliminate duplicates Z: 10 9.525 1.969 0.587 0.574 0.889 0.667 CB 1.064 12 residues pruned to eliminate duplicates Z: 13 11.626 1.874 0.532 0.553 1.000 0.583 CB 1.110 11 residues pruned to eliminate duplicates Z: 14 7.771 2.085 0.051 0.462 0.923 0.846 CB 1.106 14 residues pruned to eliminate duplicates Z: 6 3.241 1.501 0.383 0.438 1.000 1.000 N 0.745 6 residues pruned to eliminate duplicates Z: 6 4.340 1.517 0.491 0.552 0.800 0.800 CA 1.020 6 residues pruned to eliminate duplicates 595 residues left after pruning, divided into chains as follows: A: 13 B: 8 C: 56 D: 8 E: 9 F: 10 G: 14 H: 7 I: 10 J: 15 K: 8 L: 9 M: 8 N: 9 O: 61 P: 7 Q: 58 R: 44 S: 61 T: 97 U: 26 V: 37 W: 8 X: 12 CC for partial structure against native data = 21.31 % ------------------------------------------------------------------------------ Global autotracing cycle 29 = 0.300, Contrast = 0.394, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.455, Connect. = 0.705 for dens.mod. cycle 2 = 0.300, Contrast = 0.530, Connect. = 0.739 for dens.mod. cycle 3 = 0.300, Contrast = 0.538, Connect. = 0.744 for dens.mod. cycle 4 = 0.300, Contrast = 0.547, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.552, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.560, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.563, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6859 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1234 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 20.451 2.115 0.707 0.877 0.889 0.667 CA 1.542 B: 8 14.832 2.281 0.519 0.629 0.857 0.714 CA 1.672 C: 12 18.244 2.002 0.813 0.817 0.727 0.727 CB 1.583 12 residues pruned to eliminate duplicates D: 17 27.302 2.035 0.529 0.908 1.000 0.812 CA 1.558 E: 15 26.943 2.156 0.556 0.912 1.000 0.929 CA 1.519 15 residues pruned to eliminate duplicates F: 17 30.400 2.218 0.577 0.880 0.938 0.562 CA 1.680 17 residues pruned to eliminate duplicates G: 8 14.496 2.016 0.370 0.840 0.857 0.857 CB 1.728 H: 8 12.314 2.177 0.472 0.615 1.000 0.857 CB 1.302 I: 18 28.034 2.116 0.482 0.873 1.000 0.647 CA 1.580 18 residues pruned to eliminate duplicates J: 9 12.621 1.944 0.233 0.861 1.000 0.875 CA 1.368 K: 17 29.603 2.202 0.552 0.859 1.000 0.625 CB 1.594 17 residues pruned to eliminate duplicates L: 12 3.912 1.908 -0.068 0.274 0.636 0.545 CB 1.347 M: 12 17.526 1.962 0.545 0.859 1.000 0.818 CA 1.283 11 residues pruned to eliminate duplicates N: 36 26.659 2.116 0.670 0.538 0.857 0.629 CB 1.434 8 residues pruned to eliminate duplicates O: 18 28.379 2.093 0.673 0.871 0.941 0.706 CA 1.523 18 residues pruned to eliminate duplicates P: 7 8.526 1.871 0.013 0.863 1.000 0.500 CA 1.347 Q: 11 12.899 2.050 0.494 0.552 1.000 0.600 CB 1.266 R: 9 6.209 2.067 0.188 0.558 0.625 0.625 CB 1.353 S: 10 19.387 2.091 0.570 0.874 0.889 0.444 CA 1.611 10 residues pruned to eliminate duplicates T: 10 11.892 1.681 0.537 0.725 0.889 0.556 CA 1.410 U: 18 18.551 1.873 0.339 0.874 0.941 0.529 CB 1.387 V: 41 18.872 1.962 0.271 0.442 0.925 0.575 CA 1.374 9 residues pruned to eliminate duplicates W: 11 18.552 2.153 0.500 0.920 1.000 0.600 CB 1.280 X: 19 17.554 2.048 0.112 0.885 1.000 0.722 CB 1.311 11 residues pruned to eliminate duplicates Y: 10 6.972 2.050 0.008 0.458 0.778 0.444 CA 1.510 9 residues pruned to eliminate duplicates Z: 16 8.596 1.976 0.110 0.384 0.733 0.533 CB 1.561 11 residues pruned to eliminate duplicates Z: 35 15.962 1.957 0.388 0.368 0.824 0.441 CA 1.410 Z: 10 7.963 1.839 0.062 0.863 1.000 0.889 CA 0.997 10 residues pruned to eliminate duplicates Z: 22 11.993 1.966 0.660 0.305 0.762 0.476 CA 1.307 Z: 9 10.316 2.108 0.273 0.551 0.875 0.375 CB 1.478 8 residues pruned to eliminate duplicates Z: 17 15.925 1.927 0.701 0.432 0.875 0.500 CB 1.489 Z: 9 10.775 1.946 0.135 0.838 1.000 0.875 CA 1.289 9 residues pruned to eliminate duplicates Z: 43 31.377 2.097 0.589 0.599 0.905 0.595 CB 1.462 40 residues pruned to eliminate duplicates Z: 9 17.465 2.144 0.657 0.729 1.000 0.625 CA 1.415 9 residues pruned to eliminate duplicates Z: 6 8.136 1.822 0.221 0.852 1.000 0.800 CA 1.209 6 residues pruned to eliminate duplicates Z: 18 18.392 2.087 0.309 0.895 1.000 0.706 CB 1.171 18 residues pruned to eliminate duplicates Z: 17 21.143 2.230 0.341 0.895 0.750 0.312 CB 1.688 17 residues pruned to eliminate duplicates Z: 59 41.912 2.136 0.594 0.541 0.966 0.586 CB 1.608 16 residues pruned to eliminate duplicates Z: 11 7.003 1.984 0.147 0.247 0.800 0.400 CB 1.628 12 residues pruned to eliminate duplicates Z: 10 10.528 1.768 0.371 0.874 0.889 0.444 CA 1.185 Z: 19 20.834 2.188 0.776 0.468 0.889 0.611 CB 1.469 19 residues pruned to eliminate duplicates Z: 13 7.191 2.089 -0.117 0.420 0.833 0.750 CB 1.468 13 residues pruned to eliminate duplicates Z: 37 27.853 2.164 0.540 0.558 0.861 0.639 CB 1.529 38 residues pruned to eliminate duplicates Z: 11 16.858 1.954 0.483 0.812 1.000 0.700 CA 1.402 11 residues pruned to eliminate duplicates Z: 10 13.019 1.742 0.481 0.719 1.000 0.556 CA 1.381 10 residues pruned to eliminate duplicates Z: 28 14.939 1.850 0.525 0.480 0.815 0.370 CA 1.276 15 residues pruned to eliminate duplicates Z: 28 11.277 1.904 0.363 0.304 0.778 0.444 CB 1.338 Z: 19 20.672 1.938 0.355 0.850 0.889 0.667 CB 1.546 19 residues pruned to eliminate duplicates Z: 11 8.811 1.938 0.395 0.448 0.900 0.500 CB 1.208 Z: 19 21.391 2.024 0.603 0.870 0.889 0.611 CB 1.275 19 residues pruned to eliminate duplicates Z: 10 7.306 1.965 0.533 0.289 0.778 0.556 CB 1.318 10 residues pruned to eliminate duplicates Z: 16 23.684 2.091 0.508 0.899 1.000 0.867 CA 1.386 16 residues pruned to eliminate duplicates Z: 9 11.379 1.842 0.096 0.755 1.000 0.750 CA 1.587 9 residues pruned to eliminate duplicates Z: 10 25.031 2.045 1.016 0.916 1.000 0.667 CB 1.429 10 residues pruned to eliminate duplicates Z: 11 17.641 1.994 0.371 0.884 1.000 0.800 CB 1.474 11 residues pruned to eliminate duplicates Z: 8 5.838 2.092 0.060 0.489 0.714 0.429 CB 1.409 8 residues pruned to eliminate duplicates Z: 14 12.317 1.825 0.291 0.485 1.000 0.462 N 1.473 Z: 40 29.345 2.156 0.424 0.604 0.897 0.641 CB 1.546 40 residues pruned to eliminate duplicates Z: 8 8.828 1.899 0.259 0.791 0.714 0.571 CB 1.514 8 residues pruned to eliminate duplicates Z: 9 7.032 1.969 0.171 0.409 0.750 0.500 CB 1.582 Z: 33 25.192 2.202 0.606 0.499 0.875 0.594 CB 1.440 34 residues pruned to eliminate duplicates Z: 17 9.311 1.885 0.247 0.530 0.812 0.562 CB 1.184 9 residues pruned to eliminate duplicates Z: 10 15.040 2.141 0.266 0.860 1.000 0.556 CB 1.360 10 residues pruned to eliminate duplicates Z: 30 20.385 2.119 0.617 0.439 0.828 0.586 CB 1.421 30 residues pruned to eliminate duplicates Z: 24 17.528 2.025 0.445 0.388 0.870 0.391 CA 1.616 24 residues pruned to eliminate duplicates Z: 58 40.411 2.128 0.627 0.574 0.930 0.667 CA 1.547 57 residues pruned to eliminate duplicates Z: 26 15.376 1.963 0.408 0.460 0.880 0.600 CB 1.317 Z: 11 13.132 1.798 0.587 0.853 0.900 0.800 CB 1.195 11 residues pruned to eliminate duplicates Z: 10 5.716 1.869 0.265 0.291 0.889 0.556 CA 1.146 Z: 9 11.034 2.006 0.329 0.833 0.750 0.750 CB 1.463 9 residues pruned to eliminate duplicates Z: 9 13.315 1.907 0.312 0.797 1.000 0.625 CB 1.451 10 residues pruned to eliminate duplicates Z: 14 18.407 2.103 0.423 0.839 1.000 0.538 CB 1.275 15 residues pruned to eliminate duplicates Z: 10 7.637 1.881 -0.007 0.660 1.000 0.556 CB 1.174 Z: 17 14.003 1.831 0.595 0.488 0.812 0.625 CB 1.493 17 residues pruned to eliminate duplicates Z: 18 19.682 2.052 0.213 0.934 1.000 0.647 CB 1.337 19 residues pruned to eliminate duplicates Z: 8 8.403 1.790 0.650 0.633 0.857 0.429 CB 1.107 Z: 9 18.113 1.900 0.801 0.875 1.000 0.875 CA 1.361 9 residues pruned to eliminate duplicates Z: 10 12.455 1.717 0.539 0.816 1.000 0.556 CB 1.194 9 residues pruned to eliminate duplicates Z: 17 24.484 2.108 0.623 0.875 0.938 0.750 CB 1.388 17 residues pruned to eliminate duplicates Z: 34 21.008 2.063 0.587 0.568 0.788 0.485 CA 1.327 37 residues pruned to eliminate duplicates Z: 44 19.480 1.955 0.264 0.450 0.884 0.395 CA 1.432 41 residues pruned to eliminate duplicates Z: 37 13.511 1.930 0.308 0.336 0.889 0.556 CA 1.200 37 residues pruned to eliminate duplicates Z: 13 23.227 2.193 0.313 0.906 1.000 1.000 CB 1.656 13 residues pruned to eliminate duplicates Z: 10 9.593 1.738 0.578 0.479 0.889 0.444 CA 1.340 8 residues pruned to eliminate duplicates Z: 14 11.228 2.095 0.613 0.345 0.846 0.385 CA 1.289 14 residues pruned to eliminate duplicates Z: 17 17.800 2.041 0.296 0.863 0.875 0.812 CB 1.410 17 residues pruned to eliminate duplicates Z: 11 9.385 1.833 0.570 0.326 0.800 0.600 N 1.561 Z: 17 11.564 2.103 0.313 0.346 0.875 0.562 CA 1.414 5 residues pruned to eliminate duplicates Z: 26 10.283 1.838 0.410 0.366 0.880 0.480 CA 1.040 25 residues pruned to eliminate duplicates Z: 19 6.765 1.815 0.224 0.297 0.722 0.278 CB 1.247 19 residues pruned to eliminate duplicates Z: 12 13.311 1.986 0.595 0.493 0.909 0.545 N 1.403 12 residues pruned to eliminate duplicates Z: 17 9.608 1.838 0.380 0.293 0.938 0.625 CB 1.273 16 residues pruned to eliminate duplicates Z: 24 13.375 2.033 0.359 0.378 0.870 0.565 CA 1.322 9 residues pruned to eliminate duplicates Z: 15 9.508 1.947 0.421 0.517 0.786 0.643 CA 1.150 9 residues pruned to eliminate duplicates Z: 16 15.191 2.118 0.246 0.860 0.800 0.400 CB 1.366 16 residues pruned to eliminate duplicates Z: 16 18.831 1.912 0.347 0.785 1.000 0.733 CA 1.470 16 residues pruned to eliminate duplicates Z: 19 22.953 2.049 0.474 0.941 1.000 0.778 CB 1.243 18 residues pruned to eliminate duplicates Z: 27 19.353 1.965 0.434 0.444 0.923 0.308 CA 1.545 23 residues pruned to eliminate duplicates Z: 15 9.384 1.813 0.352 0.519 0.929 0.786 CB 1.082 Z: 9 12.745 1.777 0.451 0.837 1.000 0.750 N 1.307 11 residues pruned to eliminate duplicates Z: 10 3.993 1.579 0.458 0.403 0.778 0.111 CB 0.824 10 residues pruned to eliminate duplicates Z: 9 6.957 1.773 0.315 0.392 1.000 0.625 CB 1.183 Z: 27 17.020 2.056 0.267 0.363 0.923 0.385 CB 1.607 27 residues pruned to eliminate duplicates Z: 35 22.268 2.108 0.592 0.464 0.882 0.471 CB 1.338 35 residues pruned to eliminate duplicates Z: 28 24.311 2.109 0.665 0.478 0.889 0.444 CA 1.533 27 residues pruned to eliminate duplicates Z: 21 9.779 1.957 0.232 0.387 0.800 0.550 CA 1.278 21 residues pruned to eliminate duplicates Z: 27 12.794 1.985 0.384 0.356 0.731 0.462 CA 1.460 25 residues pruned to eliminate duplicates Z: 16 27.805 2.208 0.460 0.888 1.000 0.533 CA 1.605 18 residues pruned to eliminate duplicates Z: 9 12.573 1.880 0.263 0.889 1.000 0.750 CB 1.347 9 residues pruned to eliminate duplicates Z: 12 20.478 2.095 0.669 0.827 0.909 0.727 CB 1.464 12 residues pruned to eliminate duplicates Z: 23 15.515 2.035 0.272 0.386 0.955 0.500 CA 1.511 24 residues pruned to eliminate duplicates Z: 10 5.669 1.740 0.366 0.313 0.889 0.333 CB 1.099 10 residues pruned to eliminate duplicates Z: 16 31.045 2.185 0.634 0.881 0.933 0.733 CA 1.742 16 residues pruned to eliminate duplicates Z: 15 23.244 2.122 0.540 0.857 0.929 0.571 CA 1.508 15 residues pruned to eliminate duplicates Z: 7 20.584 2.277 1.048 0.814 1.000 1.000 CA 1.372 7 residues pruned to eliminate duplicates Z: 14 10.054 1.930 0.449 0.392 0.923 0.308 CA 1.211 14 residues pruned to eliminate duplicates Z: 17 13.364 1.929 0.339 0.465 0.938 0.500 CB 1.430 17 residues pruned to eliminate duplicates Z: 14 19.701 2.051 0.362 0.842 1.000 0.462 CB 1.457 14 residues pruned to eliminate duplicates Z: 36 29.690 1.940 0.802 0.585 0.914 0.571 CA 1.447 27 residues pruned to eliminate duplicates Z: 16 16.324 2.086 0.199 0.885 1.000 0.733 CB 1.216 16 residues pruned to eliminate duplicates Z: 19 18.533 2.025 0.207 0.909 1.000 0.889 CA 1.268 19 residues pruned to eliminate duplicates Z: 19 20.124 2.036 0.272 0.893 1.000 0.778 CB 1.315 18 residues pruned to eliminate duplicates Z: 18 19.077 1.953 0.175 0.883 0.941 0.647 CB 1.549 18 residues pruned to eliminate duplicates Z: 10 7.490 1.715 0.177 0.669 0.889 0.556 CB 1.190 Z: 18 12.935 2.014 0.223 0.550 0.882 0.765 CB 1.375 18 residues pruned to eliminate duplicates Z: 17 18.517 1.923 0.802 0.652 0.875 0.375 CB 1.325 17 residues pruned to eliminate duplicates Z: 63 24.537 1.889 0.608 0.449 0.839 0.516 CA 1.288 42 residues pruned to eliminate duplicates Z: 11 10.001 1.854 0.174 0.576 1.000 0.600 N 1.350 Z: 9 14.912 1.854 0.768 0.835 1.000 0.750 CB 1.205 8 residues pruned to eliminate duplicates Z: 12 11.729 2.113 0.490 0.499 1.000 0.545 CA 1.125 12 residues pruned to eliminate duplicates Z: 10 9.021 1.896 0.120 0.661 1.000 0.778 CB 1.220 10 residues pruned to eliminate duplicates Z: 18 17.911 2.064 0.175 0.899 1.000 0.706 CB 1.280 18 residues pruned to eliminate duplicates Z: 35 19.581 2.007 0.451 0.342 0.912 0.471 CA 1.502 36 residues pruned to eliminate duplicates Z: 8 10.176 1.764 0.705 0.827 0.857 0.571 CB 1.124 8 residues pruned to eliminate duplicates Z: 22 10.970 1.918 0.228 0.381 0.810 0.524 CB 1.425 22 residues pruned to eliminate duplicates Z: 6 2.956 1.666 0.180 0.272 0.800 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 46 25.773 2.049 0.389 0.451 0.956 0.467 CA 1.485 46 residues pruned to eliminate duplicates Z: 7 3.367 1.722 -0.150 0.557 1.000 0.833 CB 0.889 Z: 10 7.245 1.895 0.308 0.317 0.778 0.444 CA 1.533 10 residues pruned to eliminate duplicates Z: 26 24.123 2.034 0.474 0.671 0.920 0.760 CB 1.493 20 residues pruned to eliminate duplicates Z: 38 23.560 2.072 0.557 0.520 0.865 0.676 CB 1.361 38 residues pruned to eliminate duplicates Z: 17 24.798 2.145 0.535 0.901 1.000 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 13 7.860 1.910 0.320 0.613 0.833 0.750 CB 0.970 9 residues pruned to eliminate duplicates Z: 42 27.025 2.111 0.590 0.540 0.805 0.512 CA 1.501 40 residues pruned to eliminate duplicates Z: 10 10.790 2.041 0.159 0.596 1.000 0.889 CB 1.388 Z: 25 31.665 2.082 0.817 0.602 1.000 0.708 CA 1.551 25 residues pruned to eliminate duplicates Z: 15 8.557 1.841 0.463 0.308 0.714 0.357 CA 1.471 15 residues pruned to eliminate duplicates Z: 14 5.842 1.851 -0.114 0.519 1.000 0.769 CB 0.969 14 residues pruned to eliminate duplicates Z: 12 12.144 1.767 0.806 0.815 0.909 0.545 CA 0.960 Z: 11 13.595 2.004 0.403 0.542 0.900 0.700 CA 1.631 11 residues pruned to eliminate duplicates Z: 14 18.046 2.010 0.414 0.806 1.000 0.538 CB 1.349 14 residues pruned to eliminate duplicates Z: 8 4.703 1.555 0.436 0.676 0.857 0.714 CB 0.790 Z: 10 12.458 1.988 0.667 0.620 1.000 0.556 CB 1.119 10 residues pruned to eliminate duplicates Z: 10 7.243 1.833 0.418 0.432 0.778 0.333 CB 1.281 10 residues pruned to eliminate duplicates Z: 9 9.450 1.967 0.623 0.347 0.875 0.500 CB 1.413 9 residues pruned to eliminate duplicates Z: 10 17.484 2.072 0.369 0.750 1.000 0.667 C 1.643 10 residues pruned to eliminate duplicates Z: 28 21.781 2.016 0.443 0.669 0.889 0.704 CB 1.386 27 residues pruned to eliminate duplicates Z: 14 7.469 1.781 0.196 0.466 0.846 0.538 CB 1.190 14 residues pruned to eliminate duplicates Z: 10 8.428 1.838 0.369 0.532 0.778 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 9 9.218 1.626 0.552 0.737 0.875 0.500 CA 1.193 9 residues pruned to eliminate duplicates Z: 50 37.967 2.115 0.537 0.614 0.959 0.612 CA 1.561 36 residues pruned to eliminate duplicates Z: 6 3.374 1.836 0.000 0.586 0.600 0.600 CB 1.262 Z: 37 25.436 2.091 0.523 0.512 0.833 0.444 CB 1.579 37 residues pruned to eliminate duplicates Z: 9 4.807 1.755 0.423 0.368 0.750 0.375 CA 1.046 9 residues pruned to eliminate duplicates Z: 17 28.386 2.148 0.574 0.883 0.938 0.562 CA 1.619 17 residues pruned to eliminate duplicates Z: 18 13.493 2.120 0.569 0.316 0.882 0.471 CA 1.367 18 residues pruned to eliminate duplicates Z: 33 26.338 2.177 0.468 0.518 0.938 0.625 CB 1.527 21 residues pruned to eliminate duplicates Z: 9 2.907 1.386 0.617 0.412 0.625 0.375 O 0.804 Z: 28 16.135 2.030 0.385 0.373 0.889 0.481 CA 1.423 28 residues pruned to eliminate duplicates Z: 44 28.111 2.144 0.646 0.433 0.907 0.581 CA 1.436 51 residues pruned to eliminate duplicates Z: 22 13.148 2.029 0.166 0.479 0.952 0.571 CB 1.301 22 residues pruned to eliminate duplicates Z: 34 11.287 1.882 0.152 0.306 0.848 0.545 CA 1.325 34 residues pruned to eliminate duplicates Z: 10 10.735 1.986 0.219 0.590 1.000 0.778 CB 1.357 10 residues pruned to eliminate duplicates Z: 7 3.296 1.907 -0.287 0.469 0.667 0.500 CB 1.531 7 residues pruned to eliminate duplicates Z: 20 12.195 1.960 0.279 0.382 0.947 0.526 CB 1.335 20 residues pruned to eliminate duplicates Z: 26 11.805 1.908 0.379 0.290 0.800 0.480 CA 1.419 26 residues pruned to eliminate duplicates Z: 16 25.283 2.164 0.541 0.899 1.000 0.733 CB 1.399 16 residues pruned to eliminate duplicates Z: 18 13.757 1.808 0.647 0.432 0.882 0.588 CB 1.362 17 residues pruned to eliminate duplicates Z: 26 24.001 2.102 0.508 0.600 0.920 0.720 CB 1.496 26 residues pruned to eliminate duplicates Z: 18 24.315 2.043 0.633 0.876 0.882 0.412 CB 1.456 18 residues pruned to eliminate duplicates Z: 13 7.492 1.906 0.281 0.505 0.833 0.583 CA 1.058 12 residues pruned to eliminate duplicates Z: 16 19.533 2.119 0.189 0.893 1.000 0.933 CA 1.437 16 residues pruned to eliminate duplicates Z: 26 18.841 1.983 0.429 0.495 1.000 0.680 CA 1.337 27 residues pruned to eliminate duplicates Z: 48 36.579 2.172 0.688 0.528 0.915 0.532 CB 1.547 48 residues pruned to eliminate duplicates 7 1.806 1.463 0.304 0.296 0.500 0.333 CB 0.970 ? Z: 18 22.050 1.988 0.361 0.821 0.941 0.706 CB 1.589 18 residues pruned to eliminate duplicates Z: 20 29.649 1.977 0.622 0.886 1.000 0.684 CA 1.531 20 residues pruned to eliminate duplicates Z: 6 3.205 1.748 0.389 0.287 0.600 0.600 CB 1.249 6 residues pruned to eliminate duplicates Z: 15 15.975 2.023 0.457 0.531 1.000 0.714 CA 1.405 16 residues pruned to eliminate duplicates Z: 11 9.728 1.862 0.159 0.670 0.900 0.600 CB 1.353 11 residues pruned to eliminate duplicates Z: 9 10.050 1.970 0.359 0.544 1.000 0.750 CA 1.271 9 residues pruned to eliminate duplicates Z: 10 9.537 1.934 0.347 0.668 1.000 0.667 CB 1.045 10 residues pruned to eliminate duplicates Z: 9 9.843 1.907 0.134 0.746 0.875 0.375 CB 1.475 9 residues pruned to eliminate duplicates Z: 8 10.600 1.867 0.188 0.798 1.000 0.857 CA 1.392 8 residues pruned to eliminate duplicates Z: 11 8.287 1.772 0.221 0.567 0.800 0.500 C 1.419 Z: 10 16.539 1.847 0.628 0.742 1.000 0.889 CB 1.477 10 residues pruned to eliminate duplicates Z: 11 6.256 1.816 0.301 0.458 0.800 0.600 CB 1.092 11 residues pruned to eliminate duplicates Z: 58 23.509 2.007 0.377 0.390 0.877 0.561 CB 1.443 59 residues pruned to eliminate duplicates Z: 11 9.054 1.939 0.247 0.574 1.000 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 10 14.246 2.001 0.360 0.670 1.000 0.556 CB 1.491 10 residues pruned to eliminate duplicates Z: 9 4.147 1.426 0.123 0.453 0.875 0.625 CB 1.098 Z: 16 23.246 2.142 0.518 0.909 1.000 0.800 CB 1.310 19 residues pruned to eliminate duplicates Z: 10 6.503 1.770 0.206 0.521 0.889 0.556 CB 1.119 10 residues pruned to eliminate duplicates Z: 10 10.113 1.818 0.469 0.683 0.889 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 20 11.449 1.819 0.397 0.278 1.000 0.737 CB 1.330 20 residues pruned to eliminate duplicates Z: 7 9.874 1.889 0.299 0.850 0.833 0.833 O 1.460 7 residues pruned to eliminate duplicates Z: 20 14.141 2.078 0.241 0.461 0.947 0.474 CA 1.382 21 residues pruned to eliminate duplicates Z: 6 3.939 1.824 -0.128 0.570 1.000 0.600 CB 1.034 6 residues pruned to eliminate duplicates Z: 20 13.149 1.914 0.477 0.345 1.000 0.684 CB 1.262 20 residues pruned to eliminate duplicates Z: 16 17.837 2.017 0.278 0.918 0.933 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 12 17.091 2.063 0.682 0.928 0.727 0.545 CB 1.430 12 residues pruned to eliminate duplicates Z: 17 12.170 1.811 0.665 0.457 0.938 0.688 CB 1.125 18 residues pruned to eliminate duplicates Z: 9 6.444 1.843 0.646 0.334 0.750 0.500 CA 1.201 9 residues pruned to eliminate duplicates Z: 9 14.159 1.956 0.430 0.858 0.875 0.875 CA 1.507 9 residues pruned to eliminate duplicates Z: 20 22.418 2.061 0.999 0.613 0.737 0.368 CA 1.523 20 residues pruned to eliminate duplicates Z: 48 22.197 1.965 0.510 0.438 0.830 0.447 CA 1.402 65 residues pruned to eliminate duplicates Z: 13 11.263 2.016 0.148 0.551 0.917 0.750 CB 1.458 15 residues pruned to eliminate duplicates Z: 23 11.929 1.977 0.333 0.417 0.773 0.500 CB 1.363 23 residues pruned to eliminate duplicates Z: 23 18.769 2.067 0.410 0.584 0.909 0.636 CB 1.394 23 residues pruned to eliminate duplicates Z: 20 14.410 2.061 0.224 0.462 0.947 0.579 CA 1.438 20 residues pruned to eliminate duplicates Z: 29 13.068 1.935 0.247 0.369 0.821 0.571 CA 1.433 29 residues pruned to eliminate duplicates Z: 11 12.291 1.906 0.586 0.675 0.900 0.600 CB 1.216 11 residues pruned to eliminate duplicates Z: 9 15.713 1.980 0.554 0.819 1.000 1.000 CA 1.368 9 residues pruned to eliminate duplicates Z: 15 17.447 2.076 0.306 0.889 0.929 0.714 CB 1.333 15 residues pruned to eliminate duplicates Z: 11 11.664 1.945 0.353 0.676 1.000 0.600 CB 1.191 14 residues pruned to eliminate duplicates Z: 7 4.031 1.538 0.169 0.521 0.833 0.500 CB 1.076 Z: 18 6.798 1.719 0.290 0.425 0.765 0.353 CB 1.051 18 residues pruned to eliminate duplicates Z: 6 6.447 1.597 0.757 0.623 0.800 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 12 8.273 1.622 0.494 0.485 0.727 0.455 CB 1.437 12 residues pruned to eliminate duplicates Z: 18 13.400 1.838 0.429 0.889 0.824 0.588 CA 1.081 18 residues pruned to eliminate duplicates Z: 17 23.679 2.145 0.429 0.937 1.000 0.875 CB 1.344 17 residues pruned to eliminate duplicates Z: 8 13.365 1.802 0.564 0.735 1.000 0.429 CA 1.451 Z: 14 11.833 1.835 0.578 0.410 0.923 0.538 N 1.350 14 residues pruned to eliminate duplicates Z: 29 14.998 1.882 0.290 0.406 0.893 0.429 CB 1.443 30 residues pruned to eliminate duplicates Z: 9 8.118 1.819 0.353 0.778 0.875 0.500 CB 1.043 9 residues pruned to eliminate duplicates Z: 23 16.199 2.118 0.535 0.455 0.909 0.545 CA 1.223 23 residues pruned to eliminate duplicates Z: 6 8.375 2.123 0.196 0.706 0.800 0.800 CA 1.528 6 residues pruned to eliminate duplicates Z: 15 10.434 1.947 0.245 0.446 0.786 0.500 CB 1.547 12 residues pruned to eliminate duplicates Z: 16 11.390 2.018 0.449 0.389 0.800 0.400 CA 1.414 16 residues pruned to eliminate duplicates Z: 8 3.884 1.772 0.276 0.426 0.714 0.286 CB 0.981 Z: 24 16.546 1.860 0.662 0.589 0.870 0.304 CA 1.178 24 residues pruned to eliminate duplicates Z: 10 3.303 1.391 0.444 0.284 0.667 0.333 N 1.049 Z: 10 7.767 1.989 0.315 0.465 0.889 0.667 CA 1.155 10 residues pruned to eliminate duplicates Z: 34 24.545 2.114 0.479 0.566 0.818 0.667 CA 1.566 34 residues pruned to eliminate duplicates Z: 9 16.691 2.103 0.477 0.747 1.000 0.875 CB 1.524 9 residues pruned to eliminate duplicates Z: 19 11.393 1.836 0.480 0.321 0.833 0.444 CA 1.446 19 residues pruned to eliminate duplicates Z: 11 11.641 1.846 0.517 0.554 0.900 0.700 CB 1.385 10 residues pruned to eliminate duplicates Z: 6 2.243 1.493 0.229 0.292 0.800 0.600 N 0.863 Z: 6 3.234 1.332 0.222 0.684 1.000 0.800 C 0.751 Z: 8 5.360 1.557 0.140 0.543 0.857 0.714 CB 1.276 8 residues pruned to eliminate duplicates Z: 10 5.029 1.808 0.661 0.206 0.778 0.667 CA 1.016 Z: 6 2.051 1.450 0.362 0.658 0.600 0.600 CB 0.669 6 residues pruned to eliminate duplicates Z: 8 9.579 1.790 0.315 0.651 0.857 0.571 CB 1.559 11 residues pruned to eliminate duplicates Z: 32 25.317 2.107 0.592 0.546 0.839 0.516 CA 1.546 32 residues pruned to eliminate duplicates Z: 35 20.973 2.003 0.604 0.470 0.882 0.500 CB 1.308 36 residues pruned to eliminate duplicates Z: 22 13.045 2.064 0.484 0.394 0.857 0.476 CB 1.213 22 residues pruned to eliminate duplicates Z: 7 6.384 1.954 0.273 0.344 0.833 0.667 CB 1.489 7 residues pruned to eliminate duplicates Z: 16 15.480 1.974 0.748 0.564 0.867 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 16 18.496 2.015 0.162 0.892 1.000 0.867 CB 1.466 15 residues pruned to eliminate duplicates Z: 9 6.864 1.747 0.599 0.488 0.875 0.875 CB 1.005 9 residues pruned to eliminate duplicates Z: 9 4.520 1.440 0.086 0.545 0.875 0.625 C 1.117 Z: 28 33.112 2.124 0.807 0.661 0.926 0.704 CA 1.544 28 residues pruned to eliminate duplicates Z: 10 7.676 1.977 0.022 0.544 1.000 0.444 CB 1.212 11 residues pruned to eliminate duplicates Z: 10 3.871 1.453 -0.032 0.557 0.889 0.778 CB 0.976 Z: 6 3.703 1.629 0.251 0.573 0.800 0.400 C 0.947 Z: 7 13.593 1.827 0.451 0.862 1.000 0.667 CB 1.538 7 residues pruned to eliminate duplicates Z: 13 6.719 1.628 0.198 0.608 0.750 0.417 CB 1.197 12 residues pruned to eliminate duplicates Z: 6 5.193 1.797 0.355 0.460 0.800 0.800 N 1.242 6 residues pruned to eliminate duplicates Z: 46 26.249 2.037 0.592 0.425 0.844 0.422 CA 1.545 46 residues pruned to eliminate duplicates Z: 11 8.607 1.862 0.360 0.576 0.900 0.500 CB 1.110 10 residues pruned to eliminate duplicates Z: 11 12.576 2.162 0.171 0.815 0.800 0.800 CB 1.493 11 residues pruned to eliminate duplicates Z: 19 20.233 1.802 0.586 0.903 1.000 0.778 CA 1.189 19 residues pruned to eliminate duplicates Z: 7 10.785 1.959 -0.034 0.900 1.000 1.000 CA 1.662 7 residues pruned to eliminate duplicates Z: 15 7.501 2.065 0.201 0.179 0.929 0.500 CB 1.283 15 residues pruned to eliminate duplicates Z: 24 19.936 1.985 0.422 0.631 0.913 0.652 CB 1.427 24 residues pruned to eliminate duplicates 6 1.742 1.436 0.150 0.527 0.800 0.600 CB 0.574 ? Z: 18 14.939 1.886 0.942 0.548 0.824 0.412 CB 1.146 18 residues pruned to eliminate duplicates Z: 18 14.587 2.003 0.438 0.379 0.882 0.529 CA 1.583 18 residues pruned to eliminate duplicates Z: 17 30.619 2.159 0.556 0.922 1.000 0.562 CA 1.602 17 residues pruned to eliminate duplicates Z: 8 6.148 1.760 0.340 0.417 0.857 0.429 CB 1.253 8 residues pruned to eliminate duplicates Z: 12 14.770 1.916 0.526 0.864 0.727 0.364 CA 1.536 12 residues pruned to eliminate duplicates Z: 13 13.872 1.931 0.378 0.799 0.917 0.750 CB 1.263 13 residues pruned to eliminate duplicates Z: 6 2.885 1.396 0.706 0.664 0.600 0.600 CB 0.776 6 residues pruned to eliminate duplicates Z: 6 3.410 1.685 0.364 0.500 0.800 0.600 CA 0.830 Z: 18 21.739 2.078 0.419 0.925 1.000 0.765 CB 1.254 18 residues pruned to eliminate duplicates Z: 6 4.846 1.893 -0.144 0.605 1.000 0.600 CA 1.211 8 residues pruned to eliminate duplicates Z: 25 11.727 1.997 0.225 0.348 0.833 0.500 CA 1.384 25 residues pruned to eliminate duplicates Z: 9 6.457 1.640 0.272 0.447 0.875 0.625 N 1.321 9 residues pruned to eliminate duplicates Z: 26 19.023 2.026 0.295 0.654 0.960 0.680 CB 1.309 26 residues pruned to eliminate duplicates Z: 10 16.213 1.940 0.546 0.873 1.000 0.889 CB 1.312 10 residues pruned to eliminate duplicates Z: 39 27.214 2.109 0.553 0.475 0.895 0.447 CA 1.544 39 residues pruned to eliminate duplicates Z: 8 3.584 1.674 -0.023 0.562 0.714 0.571 CB 1.092 7 residues pruned to eliminate duplicates Z: 12 7.661 1.818 0.223 0.364 0.818 0.636 CB 1.470 12 residues pruned to eliminate duplicates Z: 10 5.924 1.762 0.014 0.570 0.889 0.667 CA 1.162 10 residues pruned to eliminate duplicates Z: 10 3.440 1.587 0.171 0.095 0.778 0.333 CB 1.333 Z: 34 12.147 1.916 0.373 0.273 0.818 0.485 CA 1.272 34 residues pruned to eliminate duplicates Z: 7 4.299 1.545 0.662 0.337 0.833 0.500 CB 0.980 8 residues pruned to eliminate duplicates Z: 8 10.566 1.999 0.222 0.750 1.000 0.429 CA 1.308 8 residues pruned to eliminate duplicates Z: 6 6.420 1.858 0.246 0.644 1.000 0.400 CA 1.084 Z: 8 6.625 1.800 0.802 0.478 0.857 0.857 CA 0.921 18 residues pruned to eliminate duplicates Z: 11 20.687 2.026 0.805 0.788 0.800 0.400 CA 1.736 11 residues pruned to eliminate duplicates Z: 6 3.263 1.409 0.435 0.381 0.800 0.600 CA 1.024 Z: 7 2.512 1.702 0.241 0.292 0.667 0.500 CB 0.919 Z: 7 6.957 1.748 0.422 0.475 0.833 0.500 C 1.407 6 residues pruned to eliminate duplicates Z: 9 5.060 1.971 0.262 0.408 0.625 0.500 CB 1.268 Z: 15 22.691 2.140 0.424 0.903 0.929 0.571 CA 1.527 15 residues pruned to eliminate duplicates Z: 11 5.402 1.896 0.193 0.337 0.800 0.400 CB 1.127 11 residues pruned to eliminate duplicates Z: 12 7.968 1.885 0.461 0.498 0.818 0.727 CB 1.068 12 residues pruned to eliminate duplicates Z: 6 2.715 1.414 0.115 0.314 0.800 0.800 CB 1.181 Z: 24 12.392 2.008 0.380 0.307 0.826 0.522 CA 1.398 24 residues pruned to eliminate duplicates Z: 11 9.443 2.069 0.390 0.478 0.800 0.600 CA 1.327 11 residues pruned to eliminate duplicates Z: 7 5.343 1.527 -0.011 0.669 1.000 0.667 O 1.236 7 residues pruned to eliminate duplicates Z: 9 10.388 1.871 0.503 0.800 0.875 0.625 CA 1.148 Z: 7 13.801 2.011 1.024 0.595 1.000 0.833 CA 1.264 7 residues pruned to eliminate duplicates Z: 9 6.757 1.793 -0.030 0.845 0.875 0.875 CB 1.167 9 residues pruned to eliminate duplicates Z: 25 15.940 2.078 0.429 0.338 0.833 0.542 CB 1.570 25 residues pruned to eliminate duplicates Z: 27 12.095 1.904 0.337 0.347 0.885 0.615 CB 1.243 28 residues pruned to eliminate duplicates Z: 13 12.420 1.857 0.492 0.544 0.917 0.583 N 1.352 13 residues pruned to eliminate duplicates Z: 21 10.155 1.745 0.420 0.279 0.900 0.500 CB 1.307 18 residues pruned to eliminate duplicates Z: 11 6.624 1.756 0.370 0.451 0.800 0.600 CA 1.145 9 residues pruned to eliminate duplicates Z: 24 12.351 1.969 0.295 0.531 0.826 0.565 CB 1.186 24 residues pruned to eliminate duplicates Z: 23 14.039 1.920 0.356 0.423 0.955 0.545 CA 1.305 20 residues pruned to eliminate duplicates Z: 17 19.387 2.085 0.162 0.930 1.000 0.938 CB 1.399 17 residues pruned to eliminate duplicates Z: 9 2.521 1.645 -0.037 0.173 0.875 0.500 CB 0.955 9 residues pruned to eliminate duplicates Z: 9 13.143 2.019 0.321 0.762 1.000 0.875 CA 1.381 9 residues pruned to eliminate duplicates Z: 6 3.137 1.411 0.169 0.461 0.800 0.600 N 1.107 2 residues pruned to eliminate duplicates Z: 11 7.347 1.772 0.523 0.431 0.700 0.500 CA 1.320 7 residues pruned to eliminate duplicates Z: 10 5.616 1.595 0.614 0.336 0.889 0.667 CB 0.979 10 residues pruned to eliminate duplicates Z: 12 6.820 1.835 0.355 0.190 0.909 0.364 CA 1.319 12 residues pruned to eliminate duplicates Z: 9 8.379 1.745 0.118 0.823 0.875 0.625 CB 1.311 Z: 21 17.342 1.973 0.216 0.694 0.900 0.750 CB 1.505 21 residues pruned to eliminate duplicates Z: 20 16.753 1.968 0.636 0.572 0.842 0.368 CA 1.322 20 residues pruned to eliminate duplicates Z: 9 4.837 1.786 0.321 0.355 0.750 0.500 CA 1.130 9 residues pruned to eliminate duplicates Z: 18 13.321 1.984 0.379 0.478 0.824 0.412 CB 1.467 18 residues pruned to eliminate duplicates Z: 6 3.265 1.482 -0.051 0.666 0.800 0.600 CB 1.112 Z: 11 4.552 1.721 0.364 0.271 0.700 0.400 CB 1.136 11 residues pruned to eliminate duplicates Z: 10 3.611 1.670 0.058 0.373 0.889 0.667 CB 0.878 10 residues pruned to eliminate duplicates Z: 6 2.044 1.389 0.505 0.295 0.600 0.600 C 0.917 Z: 10 10.761 1.828 0.179 0.839 1.000 0.889 CA 1.242 10 residues pruned to eliminate duplicates Z: 33 15.127 2.027 0.308 0.305 0.875 0.531 CB 1.432 33 residues pruned to eliminate duplicates Z: 7 7.984 2.097 0.109 0.668 1.000 0.667 CA 1.200 7 residues pruned to eliminate duplicates Z: 15 7.479 1.929 0.184 0.299 0.857 0.357 CA 1.278 15 residues pruned to eliminate duplicates Z: 10 8.939 1.815 0.366 0.647 0.778 0.667 CA 1.347 10 residues pruned to eliminate duplicates Z: 8 10.036 2.039 0.198 0.895 1.000 0.571 CB 1.113 8 residues pruned to eliminate duplicates Z: 14 14.903 2.001 0.097 0.846 1.000 0.769 CA 1.400 14 residues pruned to eliminate duplicates Z: 24 31.675 2.098 0.792 0.682 0.957 0.478 CA 1.554 24 residues pruned to eliminate duplicates Z: 12 4.240 1.488 0.198 0.506 0.818 0.455 CB 0.871 Z: 10 11.126 1.940 0.406 0.600 0.889 0.556 CB 1.391 11 residues pruned to eliminate duplicates Z: 7 2.026 1.464 0.162 0.431 1.000 0.500 CB 0.523 Z: 10 24.493 2.078 0.798 0.897 1.000 0.889 CA 1.564 10 residues pruned to eliminate duplicates Z: 21 30.530 2.102 0.700 0.708 0.950 0.600 CA 1.666 21 residues pruned to eliminate duplicates Z: 17 10.193 1.965 0.179 0.331 0.938 0.688 CA 1.412 17 residues pruned to eliminate duplicates Z: 8 6.597 1.990 -0.047 0.648 0.857 0.429 CB 1.336 7 residues pruned to eliminate duplicates Z: 7 2.160 1.587 0.354 0.318 0.500 0.333 CB 1.003 Z: 8 8.366 1.577 0.223 0.798 1.000 0.714 N 1.263 8 residues pruned to eliminate duplicates Z: 10 7.242 1.803 0.310 0.489 0.778 0.333 CA 1.328 10 residues pruned to eliminate duplicates Z: 18 22.213 1.953 0.716 0.852 0.882 0.235 CB 1.348 18 residues pruned to eliminate duplicates Z: 10 7.460 1.555 0.519 0.559 0.889 0.556 CB 1.118 9 residues pruned to eliminate duplicates Z: 20 14.044 1.957 0.379 0.483 0.842 0.579 CB 1.442 20 residues pruned to eliminate duplicates Z: 10 5.294 1.723 0.413 0.349 0.667 0.333 CA 1.281 10 residues pruned to eliminate duplicates Z: 6 11.220 1.941 0.521 0.839 1.000 0.800 CB 1.270 6 residues pruned to eliminate duplicates Z: 14 11.384 1.970 0.291 0.320 0.923 0.846 CA 1.639 14 residues pruned to eliminate duplicates Z: 21 19.245 2.009 0.730 0.533 0.800 0.450 CA 1.499 21 residues pruned to eliminate duplicates Z: 8 6.012 1.787 0.344 0.522 0.714 0.571 CA 1.296 8 residues pruned to eliminate duplicates Z: 20 8.178 1.769 0.181 0.408 0.684 0.368 CA 1.444 20 residues pruned to eliminate duplicates Z: 7 5.729 1.717 0.277 0.619 0.833 0.333 CB 1.144 Z: 12 8.331 1.917 0.262 0.580 0.909 0.727 CA 1.057 12 residues pruned to eliminate duplicates Z: 17 26.173 2.110 0.658 0.915 1.000 0.750 CB 1.322 23 residues pruned to eliminate duplicates Z: 8 3.123 2.002 0.024 0.210 0.857 0.429 CA 0.946 8 residues pruned to eliminate duplicates Z: 11 20.311 2.151 0.879 0.846 0.700 0.600 CA 1.688 11 residues pruned to eliminate duplicates Z: 14 6.754 2.065 0.063 0.400 0.692 0.462 CB 1.369 14 residues pruned to eliminate duplicates Z: 24 15.347 1.920 0.393 0.453 0.826 0.565 CA 1.520 24 residues pruned to eliminate duplicates Z: 19 11.199 1.971 0.110 0.322 1.000 0.500 CB 1.467 19 residues pruned to eliminate duplicates Z: 8 3.592 1.564 -0.179 0.479 1.000 0.286 C 1.080 6 residues pruned to eliminate duplicates Z: 9 8.496 1.639 0.562 0.613 1.000 0.625 CB 1.054 9 residues pruned to eliminate duplicates Z: 10 12.601 1.716 0.433 0.854 0.889 0.556 N 1.419 10 residues pruned to eliminate duplicates Z: 14 6.516 2.038 -0.053 0.353 0.769 0.538 CB 1.427 14 residues pruned to eliminate duplicates Z: 33 18.905 2.009 0.439 0.472 0.906 0.500 CB 1.313 33 residues pruned to eliminate duplicates Z: 13 16.216 1.834 0.515 0.760 0.917 0.500 CA 1.458 13 residues pruned to eliminate duplicates Z: 6 6.921 1.761 0.521 0.448 1.000 0.600 CA 1.219 6 residues pruned to eliminate duplicates Z: 7 5.885 1.540 0.530 0.383 1.000 0.667 O 1.155 Z: 28 28.361 2.148 0.620 0.637 0.889 0.593 CA 1.552 28 residues pruned to eliminate duplicates Z: 8 6.309 1.702 0.091 0.752 0.857 0.857 CA 1.197 7 residues pruned to eliminate duplicates Z: 8 3.069 1.461 0.229 0.472 0.857 0.571 CA 0.775 Z: 8 3.067 1.666 -0.209 0.466 0.857 0.429 N 1.063 8 residues pruned to eliminate duplicates Z: 7 2.899 1.616 0.105 0.330 0.833 0.333 CA 0.958 7 residues pruned to eliminate duplicates Z: 13 7.156 1.718 0.025 0.559 0.917 0.583 CB 1.208 13 residues pruned to eliminate duplicates Z: 7 5.497 1.614 0.506 0.402 0.833 0.667 C 1.227 Z: 12 5.892 1.531 0.527 0.468 0.909 0.455 CB 0.864 Z: 6 4.739 1.509 0.240 0.595 1.000 0.600 CA 1.034 7 residues pruned to eliminate duplicates 6 1.558 1.287 0.982 0.453 0.600 0.600 CB 0.478 ? Z: 13 5.746 1.813 0.110 0.323 0.833 0.667 CA 1.201 13 residues pruned to eliminate duplicates 6 1.766 1.539 0.107 0.306 0.800 0.800 CB 0.719 ? Z: 6 4.021 1.821 0.185 0.286 0.800 0.400 CA 1.325 6 residues pruned to eliminate duplicates Z: 32 10.915 1.873 0.273 0.325 0.903 0.548 CB 1.103 32 residues pruned to eliminate duplicates Z: 20 14.782 2.029 -0.036 0.881 1.000 0.737 CB 1.255 20 residues pruned to eliminate duplicates Z: 11 14.305 1.756 0.745 0.846 0.900 0.500 CA 1.218 11 residues pruned to eliminate duplicates Z: 10 3.558 1.958 0.162 0.194 0.889 0.444 CB 0.845 10 residues pruned to eliminate duplicates Z: 19 13.258 1.945 0.271 0.684 0.889 0.556 CB 1.201 19 residues pruned to eliminate duplicates Z: 8 3.034 1.686 0.160 0.212 0.857 0.714 CA 0.961 8 residues pruned to eliminate duplicates Z: 20 10.362 1.795 0.568 0.336 0.789 0.421 CA 1.280 20 residues pruned to eliminate duplicates Z: 17 24.325 2.184 0.442 0.851 0.875 0.688 CB 1.633 17 residues pruned to eliminate duplicates Z: 9 3.274 1.439 0.026 0.545 0.875 0.750 CB 0.857 Z: 12 14.222 1.999 0.356 0.676 0.909 0.545 CA 1.480 14 residues pruned to eliminate duplicates Z: 6 6.820 1.562 0.548 0.736 1.000 0.800 CA 1.021 Z: 26 27.815 2.010 0.790 0.504 0.920 0.480 CB 1.675 26 residues pruned to eliminate duplicates Z: 25 18.805 2.009 0.334 0.589 0.917 0.667 CA 1.434 25 residues pruned to eliminate duplicates Z: 27 25.750 2.094 0.845 0.492 0.846 0.577 CA 1.557 28 residues pruned to eliminate duplicates Z: 10 5.488 1.424 0.548 0.420 1.000 0.556 CB 0.902 Z: 6 5.884 1.682 0.014 0.662 1.000 1.000 CB 1.328 6 residues pruned to eliminate duplicates Z: 18 12.057 1.885 0.567 0.447 0.765 0.529 CB 1.367 18 residues pruned to eliminate duplicates Z: 16 19.969 1.915 0.806 0.827 1.000 0.667 CA 1.124 24 residues pruned to eliminate duplicates Z: 6 2.320 1.488 1.090 0.355 0.600 0.600 CB 0.650 6 residues pruned to eliminate duplicates Z: 11 6.199 1.536 0.589 0.225 0.900 0.300 N 1.231 11 residues pruned to eliminate duplicates 6 1.624 1.364 -0.097 0.300 0.800 0.400 CB 0.921 ? Z: 27 13.998 1.882 0.292 0.479 0.962 0.654 CA 1.199 27 residues pruned to eliminate duplicates Z: 10 18.351 1.867 0.713 0.817 1.000 0.667 CA 1.452 10 residues pruned to eliminate duplicates Z: 10 11.531 1.969 0.318 0.738 0.889 0.667 CA 1.347 10 residues pruned to eliminate duplicates Z: 37 14.678 1.860 0.243 0.347 0.889 0.472 CB 1.405 28 residues pruned to eliminate duplicates Z: 9 10.408 1.667 0.560 0.671 1.000 0.750 CB 1.209 9 residues pruned to eliminate duplicates Z: 63 40.173 2.119 0.611 0.573 0.919 0.565 CB 1.516 63 residues pruned to eliminate duplicates Z: 7 3.497 1.502 -0.016 0.794 1.000 0.500 CB 0.747 7 residues pruned to eliminate duplicates 7 1.511 1.283 0.216 0.304 0.500 0.333 N 0.983 ? Z: 6 3.692 1.306 0.493 0.490 1.000 0.800 CB 0.855 Z: 17 21.758 2.111 0.350 0.865 1.000 0.688 CB 1.398 17 residues pruned to eliminate duplicates 6 1.804 1.201 0.014 0.294 1.000 1.000 N 0.834 ? 6 1.724 1.300 -0.059 0.340 0.800 0.600 C 0.939 ? Z: 19 12.355 1.884 0.557 0.452 0.833 0.500 CB 1.251 19 residues pruned to eliminate duplicates Z: 6 5.476 1.814 0.088 0.825 1.000 0.800 CA 0.936 6 residues pruned to eliminate duplicates Z: 34 14.969 1.893 0.378 0.348 0.848 0.545 CA 1.389 34 residues pruned to eliminate duplicates Z: 25 15.560 1.985 0.439 0.511 0.875 0.583 CB 1.256 23 residues pruned to eliminate duplicates 7 1.147 1.316 1.355 0.247 0.667 0.333 CB 0.303 ? Z: 8 5.878 1.797 0.246 0.723 1.000 0.571 CB 0.811 Z: 42 25.689 2.060 0.618 0.435 0.854 0.415 CA 1.507 42 residues pruned to eliminate duplicates Z: 29 19.694 2.037 0.586 0.482 0.929 0.571 CB 1.263 31 residues pruned to eliminate duplicates Z: 18 13.388 1.917 0.349 0.466 0.882 0.588 CB 1.473 18 residues pruned to eliminate duplicates Z: 34 18.368 1.960 0.436 0.411 0.909 0.545 CA 1.371 35 residues pruned to eliminate duplicates Z: 31 26.939 1.996 0.736 0.602 0.933 0.667 CA 1.381 31 residues pruned to eliminate duplicates Z: 9 2.812 1.565 0.184 0.260 0.625 0.500 CA 1.130 Z: 10 4.216 1.601 0.073 0.313 0.889 0.444 CB 1.131 5 residues pruned to eliminate duplicates Z: 9 3.877 1.322 0.363 0.388 0.875 0.500 CB 0.980 8 1.211 1.181 0.308 0.205 0.571 0.429 CB 0.736 ? Z: 17 9.626 1.779 0.335 0.418 0.938 0.562 CA 1.178 17 residues pruned to eliminate duplicates Z: 9 4.478 1.271 0.778 0.295 1.000 0.375 CB 0.881 Z: 13 4.125 1.893 0.075 0.289 0.667 0.500 CB 1.113 13 residues pruned to eliminate duplicates Z: 20 7.916 1.646 0.521 0.339 0.789 0.368 CA 1.095 20 residues pruned to eliminate duplicates Z: 6 7.264 1.609 1.057 0.709 1.000 0.800 N 0.812 8 1.647 1.228 0.311 0.211 0.571 0.286 C 0.951 ? Z: 19 14.082 1.925 0.475 0.523 1.000 0.889 CB 1.142 19 residues pruned to eliminate duplicates Z: 20 13.768 2.110 0.742 0.287 0.789 0.421 CA 1.382 20 residues pruned to eliminate duplicates Z: 15 9.462 1.936 0.147 0.488 0.786 0.429 CB 1.468 15 residues pruned to eliminate duplicates Z: 11 5.965 1.924 -0.009 0.552 0.800 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 9 2.197 1.460 0.127 0.367 0.750 0.375 CB 0.725 Z: 9 4.924 1.915 0.017 0.585 0.875 0.625 CB 0.941 9 residues pruned to eliminate duplicates Z: 14 11.985 1.992 0.545 0.666 0.846 0.615 CB 1.094 14 residues pruned to eliminate duplicates Z: 8 4.282 1.509 0.335 0.440 0.857 0.429 CA 0.997 6 1.140 1.447 0.201 0.283 0.600 0.200 CA 0.625 ? Z: 15 3.138 1.543 0.326 0.185 0.643 0.357 CB 0.931 20 residues pruned to eliminate duplicates Z: 11 17.084 2.072 0.494 0.803 1.000 0.600 CA 1.339 11 residues pruned to eliminate duplicates Z: 10 15.379 2.063 0.607 0.884 0.667 0.444 C 1.677 10 residues pruned to eliminate duplicates Z: 6 5.857 1.998 0.195 0.484 0.800 0.600 CB 1.394 6 residues pruned to eliminate duplicates Z: 19 18.735 2.029 0.256 0.845 0.944 0.722 CB 1.365 19 residues pruned to eliminate duplicates Z: 9 14.128 2.133 0.422 0.645 1.000 0.750 CA 1.438 9 residues pruned to eliminate duplicates Z: 17 23.051 2.077 0.428 0.873 0.938 0.812 CA 1.510 17 residues pruned to eliminate duplicates Z: 6 2.655 1.373 0.436 0.466 0.800 0.600 CB 0.779 Z: 13 6.116 1.698 0.124 0.362 0.833 0.417 CB 1.287 13 residues pruned to eliminate duplicates Z: 8 3.926 1.401 0.293 0.480 0.857 0.571 CB 0.975 Z: 6 6.231 1.571 1.162 0.751 1.000 0.800 CB 0.656 6 residues pruned to eliminate duplicates Z: 7 3.632 1.637 -0.257 0.607 1.000 0.667 C 1.102 7 residues pruned to eliminate duplicates Z: 6 3.968 1.208 0.984 0.479 0.800 0.800 C 0.945 Z: 14 10.237 1.827 0.430 0.570 0.923 0.538 CB 1.101 6 residues pruned to eliminate duplicates Z: 7 3.485 1.787 0.390 0.336 0.667 0.667 CA 1.028 7 residues pruned to eliminate duplicates Z: 13 4.035 1.628 0.247 0.332 0.667 0.333 CB 1.034 13 residues pruned to eliminate duplicates Z: 12 8.680 2.011 0.505 0.479 0.727 0.545 CB 1.215 12 residues pruned to eliminate duplicates Z: 8 5.537 1.838 0.199 0.546 0.857 0.714 CB 1.059 8 residues pruned to eliminate duplicates Z: 11 6.642 1.701 0.104 0.466 0.900 0.400 CB 1.287 11 residues pruned to eliminate duplicates Z: 8 6.963 1.877 0.209 0.458 0.857 0.571 CB 1.413 8 residues pruned to eliminate duplicates Z: 8 4.650 1.751 0.172 0.375 0.857 0.571 CB 1.142 Z: 36 22.155 1.857 0.676 0.555 0.857 0.486 CA 1.330 36 residues pruned to eliminate duplicates Z: 6 3.295 1.278 0.768 0.528 0.800 0.800 CB 0.793 6 residues pruned to eliminate duplicates Z: 60 45.117 2.186 0.666 0.580 0.949 0.593 CB 1.574 60 residues pruned to eliminate duplicates Z: 11 4.610 1.768 0.376 0.271 0.700 0.400 CB 1.110 11 residues pruned to eliminate duplicates Z: 7 5.191 1.624 0.763 0.622 0.833 0.667 CB 0.792 3 residues pruned to eliminate duplicates Z: 24 11.920 1.872 0.305 0.311 0.870 0.522 CA 1.442 24 residues pruned to eliminate duplicates Z: 6 2.868 1.564 -0.182 0.679 1.000 0.800 N 0.851 Z: 8 11.813 1.809 0.798 0.799 0.857 0.714 CA 1.233 Z: 19 9.323 1.792 0.414 0.359 0.889 0.556 CA 1.136 19 residues pruned to eliminate duplicates Z: 6 2.771 1.615 0.773 0.342 0.600 0.400 CB 0.856 Z: 6 2.393 1.188 0.467 0.486 0.800 0.400 O 0.779 Z: 6 6.330 1.822 0.565 0.515 0.800 0.400 CB 1.223 8 residues pruned to eliminate duplicates Z: 11 3.162 1.750 -0.204 0.248 0.800 0.400 CB 1.201 11 residues pruned to eliminate duplicates Z: 6 2.169 1.416 0.047 0.566 0.800 0.600 CB 0.767 Z: 11 8.293 1.977 -0.020 0.528 0.900 0.600 CA 1.462 11 residues pruned to eliminate duplicates Z: 8 8.248 1.875 0.320 0.651 0.857 0.857 CB 1.277 8 residues pruned to eliminate duplicates 6 1.796 1.358 -0.026 0.269 0.800 0.800 N 0.987 ? Z: 39 20.240 1.921 0.556 0.436 0.816 0.211 CA 1.438 39 residues pruned to eliminate duplicates Z: 12 4.414 1.420 0.290 0.466 0.727 0.455 CB 1.034 Z: 19 7.865 1.655 0.180 0.418 0.833 0.278 CB 1.240 19 residues pruned to eliminate duplicates Z: 16 15.992 2.140 0.540 0.494 0.933 0.667 CA 1.351 16 residues pruned to eliminate duplicates Z: 6 4.367 1.730 -0.192 0.608 1.000 0.600 CA 1.262 6 residues pruned to eliminate duplicates Z: 6 3.116 1.368 0.156 0.667 0.800 0.400 CB 0.945 6 residues pruned to eliminate duplicates Z: 18 14.147 2.011 0.616 0.385 0.824 0.529 CA 1.449 18 residues pruned to eliminate duplicates Z: 9 8.553 1.682 0.404 0.791 0.750 0.500 CB 1.322 8 residues pruned to eliminate duplicates Z: 9 3.892 1.338 0.390 0.531 0.875 0.500 CA 0.821 4 residues pruned to eliminate duplicates Z: 6 2.235 1.350 0.065 0.426 0.800 0.400 CA 0.939 Z: 6 4.039 1.501 0.382 0.424 0.800 0.600 CB 1.178 Z: 10 5.661 1.911 0.337 0.437 0.667 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 7 2.351 1.113 0.830 0.387 0.667 0.500 N 0.797 7 residues pruned to eliminate duplicates Z: 10 3.307 1.565 0.333 0.413 0.889 0.444 N 0.652 Z: 19 11.595 1.994 0.227 0.508 0.889 0.556 CB 1.246 19 residues pruned to eliminate duplicates Z: 6 4.528 1.737 0.266 0.390 0.800 0.200 CA 1.292 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 8.138 1.907 0.250 0.394 0.733 0.400 CB 1.345 16 residues pruned to eliminate duplicates Z: 16 8.625 1.763 0.406 0.415 0.800 0.400 CB 1.228 16 residues pruned to eliminate duplicates Z: 18 11.520 1.814 0.330 0.431 0.941 0.529 CB 1.322 15 residues pruned to eliminate duplicates Z: 16 11.097 1.864 0.397 0.506 1.000 0.467 CB 1.093 16 residues pruned to eliminate duplicates Z: 12 11.585 1.886 0.434 0.585 1.000 0.545 CA 1.191 12 residues pruned to eliminate duplicates Z: 14 10.203 1.889 0.351 0.545 0.846 0.462 CB 1.254 14 residues pruned to eliminate duplicates Z: 14 9.575 1.875 0.291 0.537 0.846 0.692 CB 1.250 14 residues pruned to eliminate duplicates Z: 17 10.913 1.837 0.395 0.468 0.812 0.500 CB 1.353 17 residues pruned to eliminate duplicates Z: 17 8.533 1.872 0.296 0.443 0.812 0.500 CB 1.147 17 residues pruned to eliminate duplicates Z: 14 7.861 1.810 0.263 0.455 0.846 0.462 CB 1.181 14 residues pruned to eliminate duplicates Z: 15 9.118 1.831 0.345 0.465 0.929 0.714 CB 1.104 15 residues pruned to eliminate duplicates Z: 12 8.394 1.784 0.289 0.507 0.727 0.455 CB 1.503 Z: 9 9.644 1.977 -0.075 0.863 0.875 0.750 CA 1.564 9 residues pruned to eliminate duplicates Z: 17 17.092 2.099 0.446 0.590 0.875 0.750 CB 1.476 17 residues pruned to eliminate duplicates Z: 18 18.395 2.045 0.363 0.572 1.000 0.588 CB 1.494 18 residues pruned to eliminate duplicates Z: 20 17.379 2.077 0.366 0.563 0.947 0.579 CB 1.395 25 residues pruned to eliminate duplicates Z: 10 10.660 1.920 0.262 0.812 0.778 0.556 CB 1.437 10 residues pruned to eliminate duplicates Z: 10 13.370 1.925 0.569 0.891 0.889 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 11 11.786 1.886 0.698 0.675 0.800 0.400 CB 1.238 11 residues pruned to eliminate duplicates Z: 9 14.670 1.931 0.968 0.681 0.875 0.500 CB 1.322 9 residues pruned to eliminate duplicates Z: 17 9.716 1.876 0.457 0.266 0.938 0.562 CB 1.238 17 residues pruned to eliminate duplicates Z: 12 10.160 2.136 0.654 0.330 0.818 0.636 CB 1.276 12 residues pruned to eliminate duplicates Z: 36 23.602 2.080 0.621 0.511 0.857 0.629 CB 1.366 36 residues pruned to eliminate duplicates Z: 19 19.423 2.068 0.925 0.467 0.833 0.444 CB 1.427 20 residues pruned to eliminate duplicates 6 1.871 1.940 -0.280 0.100 0.800 0.400 CA 1.248 ? Z: 7 4.539 1.505 1.351 0.437 0.833 0.500 CA 0.670 Z: 24 17.336 2.087 0.676 0.298 0.913 0.522 CA 1.418 31 residues pruned to eliminate duplicates Z: 33 19.485 2.089 0.590 0.363 0.875 0.469 CB 1.373 33 residues pruned to eliminate duplicates Z: 36 22.689 2.044 0.680 0.469 0.829 0.514 CB 1.390 36 residues pruned to eliminate duplicates Z: 18 14.905 2.020 0.488 0.534 0.824 0.412 CA 1.412 18 residues pruned to eliminate duplicates Z: 49 31.567 2.110 0.574 0.512 0.917 0.604 CB 1.478 49 residues pruned to eliminate duplicates Z: 45 23.281 2.016 0.667 0.333 0.864 0.614 CA 1.452 45 residues pruned to eliminate duplicates Z: 45 26.625 2.151 0.520 0.419 0.841 0.500 CA 1.588 45 residues pruned to eliminate duplicates Z: 24 20.000 1.946 0.405 0.645 0.913 0.696 CA 1.460 24 residues pruned to eliminate duplicates Z: 27 26.193 2.081 0.426 0.690 0.962 0.615 CA 1.513 27 residues pruned to eliminate duplicates Z: 23 25.881 2.108 0.458 0.622 1.000 0.727 CA 1.601 23 residues pruned to eliminate duplicates Z: 22 24.990 2.139 0.473 0.629 0.952 0.714 CB 1.609 22 residues pruned to eliminate duplicates Z: 27 26.579 2.086 0.393 0.742 1.000 0.769 CA 1.444 27 residues pruned to eliminate duplicates Z: 22 24.153 2.128 0.403 0.671 1.000 0.857 CA 1.508 22 residues pruned to eliminate duplicates Z: 22 23.404 2.140 0.361 0.690 0.952 0.762 CA 1.547 22 residues pruned to eliminate duplicates Z: 44 22.133 1.946 0.368 0.454 0.884 0.581 CB 1.503 44 residues pruned to eliminate duplicates Z: 18 17.468 1.990 0.391 0.622 0.941 0.647 CB 1.450 18 residues pruned to eliminate duplicates Z: 17 14.613 1.982 0.160 0.533 1.000 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 28 24.163 2.017 0.446 0.684 0.963 0.815 CA 1.399 28 residues pruned to eliminate duplicates Z: 19 18.188 2.020 0.335 0.563 0.944 0.611 CB 1.584 19 residues pruned to eliminate duplicates Z: 23 20.035 1.941 0.675 0.618 0.909 0.818 CA 1.292 23 residues pruned to eliminate duplicates Z: 19 17.861 2.108 0.419 0.581 0.889 0.667 CA 1.465 19 residues pruned to eliminate duplicates Z: 26 20.474 2.011 0.506 0.553 0.920 0.720 CB 1.396 26 residues pruned to eliminate duplicates Z: 21 23.688 2.116 0.385 0.672 0.950 0.850 CA 1.624 21 residues pruned to eliminate duplicates Z: 47 31.709 2.159 0.537 0.512 0.891 0.587 CB 1.562 47 residues pruned to eliminate duplicates Z: 17 18.319 2.023 0.496 0.664 0.938 0.750 CB 1.387 17 residues pruned to eliminate duplicates Z: 27 23.678 2.084 0.578 0.532 0.923 0.500 CB 1.483 27 residues pruned to eliminate duplicates Z: 27 26.514 2.075 0.534 0.697 0.923 0.692 CB 1.479 27 residues pruned to eliminate duplicates Z: 29 25.233 2.036 0.496 0.668 0.929 0.643 CB 1.444 29 residues pruned to eliminate duplicates Z: 27 28.433 2.086 0.520 0.694 1.000 0.731 CB 1.474 27 residues pruned to eliminate duplicates Z: 26 29.052 2.110 0.514 0.738 0.960 0.720 CB 1.530 26 residues pruned to eliminate duplicates Z: 42 28.085 2.070 0.533 0.570 0.854 0.463 CA 1.513 42 residues pruned to eliminate duplicates Z: 30 23.158 2.007 0.392 0.695 0.931 0.690 CB 1.383 30 residues pruned to eliminate duplicates Z: 10 5.223 1.810 0.537 0.354 0.778 0.556 CB 0.943 10 residues pruned to eliminate duplicates Z: 12 8.145 1.706 0.477 0.392 1.000 0.636 CA 1.093 11 residues pruned to eliminate duplicates Z: 6 3.254 1.405 0.405 0.425 0.800 0.600 CA 0.996 6 residues pruned to eliminate duplicates Z: 13 8.588 1.766 0.479 0.493 0.750 0.417 CA 1.274 13 residues pruned to eliminate duplicates Z: 8 9.147 2.065 0.230 0.455 0.857 0.714 CB 1.663 8 residues pruned to eliminate duplicates Z: 10 5.219 1.798 0.739 0.276 0.778 0.444 CB 0.921 5 residues pruned to eliminate duplicates Z: 6 4.221 1.379 0.999 0.206 1.000 0.400 CA 0.970 6 residues pruned to eliminate duplicates Z: 10 5.447 1.890 0.470 0.254 0.778 0.333 CB 1.114 10 residues pruned to eliminate duplicates Z: 6 6.178 1.628 0.689 0.313 1.000 0.400 CA 1.236 6 residues pruned to eliminate duplicates Z: 13 6.161 1.786 0.434 0.266 0.750 0.333 CB 1.208 24 residues pruned to eliminate duplicates Z: 8 16.467 1.900 0.634 0.788 1.000 0.714 CA 1.556 6 residues pruned to eliminate duplicates Z: 8 17.806 1.898 0.716 0.774 1.000 0.857 N 1.622 8 residues pruned to eliminate duplicates Z: 8 19.793 1.911 0.921 0.803 1.000 0.571 CA 1.564 8 residues pruned to eliminate duplicates Z: 18 10.077 1.974 0.231 0.601 0.647 0.412 CA 1.412 18 residues pruned to eliminate duplicates Z: 9 13.220 1.953 0.817 0.693 0.750 0.250 C 1.472 9 residues pruned to eliminate duplicates Z: 33 14.655 2.010 0.259 0.287 0.906 0.500 CB 1.437 49 residues pruned to eliminate duplicates Z: 11 8.013 2.150 0.191 0.397 0.800 0.300 CB 1.379 4 residues pruned to eliminate duplicates Z: 7 7.602 1.736 0.691 0.440 0.833 0.333 CB 1.350 8 residues pruned to eliminate duplicates Z: 6 3.814 1.470 0.646 0.479 0.800 0.600 CA 0.901 6 residues pruned to eliminate duplicates Z: 13 13.263 1.929 0.415 0.579 1.000 0.500 CA 1.300 13 residues pruned to eliminate duplicates Z: 9 9.314 2.140 0.217 0.576 0.875 0.750 CA 1.344 9 residues pruned to eliminate duplicates Z: 12 16.561 2.096 0.462 0.636 1.000 0.727 CA 1.434 12 residues pruned to eliminate duplicates Z: 17 12.990 1.947 0.445 0.506 0.875 0.562 CB 1.312 17 residues pruned to eliminate duplicates Z: 18 14.121 1.940 0.498 0.530 0.941 0.529 CB 1.216 22 residues pruned to eliminate duplicates Z: 8 7.896 1.800 0.533 0.478 0.857 0.286 CA 1.290 8 residues pruned to eliminate duplicates Z: 16 15.018 2.021 0.533 0.549 0.867 0.533 CB 1.378 16 residues pruned to eliminate duplicates Z: 18 14.272 1.973 0.361 0.572 0.882 0.647 CB 1.363 18 residues pruned to eliminate duplicates Z: 18 14.172 1.969 0.507 0.541 0.824 0.588 CB 1.350 18 residues pruned to eliminate duplicates Z: 11 13.026 1.797 0.620 0.635 0.900 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 9 12.956 1.855 0.368 0.833 1.000 0.500 CB 1.354 9 residues pruned to eliminate duplicates Z: 10 9.707 1.780 0.344 0.556 1.000 0.222 CA 1.281 10 residues pruned to eliminate duplicates Z: 11 11.274 1.867 0.218 0.623 1.000 0.600 CB 1.395 11 residues pruned to eliminate duplicates Z: 11 18.235 2.038 0.551 0.756 0.900 0.800 CB 1.613 9 residues pruned to eliminate duplicates Z: 6 4.453 1.569 0.423 0.310 1.000 0.400 N 1.102 6 residues pruned to eliminate duplicates Z: 11 17.076 2.016 0.509 0.712 1.000 0.700 CB 1.464 11 residues pruned to eliminate duplicates Z: 8 8.066 1.594 0.307 0.622 1.000 0.857 CA 1.305 8 residues pruned to eliminate duplicates Z: 9 19.461 2.214 0.681 0.720 1.000 0.625 CB 1.516 9 residues pruned to eliminate duplicates Z: 11 13.569 1.954 0.618 0.704 0.900 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 10 12.085 1.999 0.735 0.691 0.889 0.778 CB 1.098 10 residues pruned to eliminate duplicates Z: 12 5.445 1.783 0.374 0.343 0.727 0.455 CA 1.093 12 residues pruned to eliminate duplicates Z: 6 3.156 1.853 0.438 0.433 0.600 0.600 CB 0.946 6 residues pruned to eliminate duplicates Z: 11 6.633 1.800 0.507 0.385 0.900 0.500 CA 0.971 11 residues pruned to eliminate duplicates Z: 9 5.948 1.838 0.340 0.343 1.000 0.375 CA 1.013 9 residues pruned to eliminate duplicates Z: 14 9.026 1.761 0.190 0.441 1.000 0.538 CB 1.270 11 residues pruned to eliminate duplicates Z: 7 5.987 1.763 0.516 0.328 0.833 0.333 CA 1.325 7 residues pruned to eliminate duplicates Z: 16 8.792 1.620 0.484 0.443 0.867 0.467 CB 1.155 17 residues pruned to eliminate duplicates Z: 7 5.616 1.612 0.189 0.447 1.000 0.667 N 1.262 7 residues pruned to eliminate duplicates Z: 14 8.636 1.774 0.212 0.479 0.923 0.538 CB 1.233 14 residues pruned to eliminate duplicates Z: 12 12.493 1.899 0.331 0.617 1.000 0.545 CB 1.334 12 residues pruned to eliminate duplicates Z: 8 3.343 1.751 0.313 0.220 0.857 0.000 CB 0.891 7 residues pruned to eliminate duplicates Z: 41 18.470 2.005 0.370 0.326 0.900 0.450 CB 1.429 41 residues pruned to eliminate duplicates Z: 38 18.149 1.977 0.506 0.292 0.838 0.514 CB 1.510 38 residues pruned to eliminate duplicates Z: 35 13.689 1.920 0.260 0.288 0.794 0.294 CB 1.551 35 residues pruned to eliminate duplicates Z: 35 17.495 2.060 0.355 0.301 0.853 0.324 CB 1.573 35 residues pruned to eliminate duplicates Z: 15 8.606 2.092 0.148 0.209 0.929 0.286 CB 1.455 15 residues pruned to eliminate duplicates Z: 28 17.721 2.041 0.350 0.396 0.889 0.630 CA 1.554 28 residues pruned to eliminate duplicates Z: 26 14.528 2.062 0.283 0.348 0.760 0.400 CB 1.705 26 residues pruned to eliminate duplicates Z: 10 6.876 2.127 0.246 0.212 0.778 0.333 CB 1.561 10 residues pruned to eliminate duplicates Z: 33 19.858 2.049 0.445 0.369 0.875 0.312 CA 1.559 41 residues pruned to eliminate duplicates Z: 30 14.405 1.936 0.374 0.367 0.759 0.448 CA 1.529 29 residues pruned to eliminate duplicates Z: 31 18.350 2.056 0.418 0.369 0.900 0.500 CA 1.470 31 residues pruned to eliminate duplicates Z: 30 17.129 2.057 0.357 0.347 0.897 0.414 CA 1.501 30 residues pruned to eliminate duplicates Z: 35 18.156 2.042 0.411 0.326 0.853 0.441 CA 1.533 35 residues pruned to eliminate duplicates Z: 30 15.589 2.030 0.339 0.317 0.862 0.379 CB 1.512 30 residues pruned to eliminate duplicates Z: 34 16.720 2.033 0.282 0.304 0.909 0.485 CA 1.528 28 residues pruned to eliminate duplicates Z: 24 14.911 1.989 0.408 0.420 0.826 0.522 CA 1.461 24 residues pruned to eliminate duplicates Z: 29 17.530 2.039 0.380 0.421 0.821 0.429 CA 1.555 29 residues pruned to eliminate duplicates Z: 16 11.896 1.963 0.561 0.455 0.800 0.333 CA 1.313 16 residues pruned to eliminate duplicates Z: 30 16.716 2.020 0.375 0.407 0.828 0.483 CA 1.488 30 residues pruned to eliminate duplicates Z: 39 15.031 1.977 0.303 0.325 0.816 0.447 CB 1.406 39 residues pruned to eliminate duplicates Z: 27 20.654 2.088 0.502 0.401 0.885 0.654 CB 1.620 27 residues pruned to eliminate duplicates Z: 19 19.389 2.041 0.491 0.519 0.944 0.667 CA 1.560 19 residues pruned to eliminate duplicates Z: 16 8.893 1.916 0.314 0.283 0.867 0.467 CA 1.343 16 residues pruned to eliminate duplicates Z: 12 7.697 1.978 0.272 0.433 0.909 0.727 CA 1.087 12 residues pruned to eliminate duplicates Z: 15 9.064 1.892 0.264 0.361 0.929 0.714 CA 1.268 15 residues pruned to eliminate duplicates Z: 22 9.711 1.729 0.372 0.339 0.905 0.571 CA 1.176 22 residues pruned to eliminate duplicates Z: 42 13.505 1.974 0.257 0.341 0.854 0.488 CA 1.184 42 residues pruned to eliminate duplicates Z: 24 8.693 1.810 0.299 0.272 0.870 0.609 CA 1.149 24 residues pruned to eliminate duplicates Z: 26 10.557 1.883 0.419 0.305 0.800 0.520 CA 1.226 39 residues pruned to eliminate duplicates Z: 21 8.776 1.885 0.184 0.355 0.900 0.550 CA 1.143 21 residues pruned to eliminate duplicates Z: 19 10.079 1.873 0.456 0.378 0.944 0.556 CB 1.050 19 residues pruned to eliminate duplicates Z: 17 10.074 1.940 0.344 0.397 0.938 0.562 CA 1.148 17 residues pruned to eliminate duplicates Z: 6 3.904 1.680 0.204 0.420 1.000 0.600 CB 0.938 6 residues pruned to eliminate duplicates Z: 17 10.991 2.039 0.341 0.407 0.812 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 33 13.643 1.936 0.441 0.329 0.844 0.531 CA 1.235 33 residues pruned to eliminate duplicates Z: 28 13.010 2.025 0.270 0.403 0.815 0.407 CB 1.323 28 residues pruned to eliminate duplicates Z: 29 13.752 2.014 0.316 0.397 0.857 0.607 CB 1.276 29 residues pruned to eliminate duplicates Z: 25 15.209 2.027 0.363 0.457 0.875 0.583 CA 1.343 25 residues pruned to eliminate duplicates Z: 21 10.714 2.001 0.364 0.346 0.800 0.600 CB 1.296 21 residues pruned to eliminate duplicates Z: 10 12.508 2.064 0.333 0.530 1.000 0.778 CA 1.471 10 residues pruned to eliminate duplicates Z: 11 11.871 2.019 0.543 0.473 0.900 0.600 CB 1.377 11 residues pruned to eliminate duplicates Z: 12 10.054 2.087 0.323 0.492 0.818 0.455 CA 1.352 12 residues pruned to eliminate duplicates Z: 25 13.022 1.990 0.437 0.409 0.833 0.583 CB 1.227 25 residues pruned to eliminate duplicates Z: 18 11.430 2.022 0.225 0.409 0.941 0.588 CB 1.308 18 residues pruned to eliminate duplicates Z: 22 16.702 2.099 0.321 0.537 0.905 0.667 CA 1.401 22 residues pruned to eliminate duplicates Z: 32 14.619 1.941 0.451 0.433 0.871 0.419 CB 1.147 32 residues pruned to eliminate duplicates Z: 16 11.503 2.038 0.137 0.458 1.000 0.333 CA 1.338 16 residues pruned to eliminate duplicates Z: 24 17.120 2.077 0.476 0.471 0.870 0.609 CB 1.380 24 residues pruned to eliminate duplicates Z: 23 16.743 2.047 0.404 0.513 0.909 0.591 CB 1.349 23 residues pruned to eliminate duplicates Z: 24 17.190 2.063 0.471 0.464 0.870 0.652 CA 1.408 24 residues pruned to eliminate duplicates Z: 25 15.395 2.007 0.439 0.458 0.875 0.500 CA 1.297 25 residues pruned to eliminate duplicates Z: 29 13.907 1.983 0.318 0.406 0.857 0.464 CB 1.295 29 residues pruned to eliminate duplicates Z: 10 9.285 2.153 0.131 0.512 1.000 0.444 CA 1.256 10 residues pruned to eliminate duplicates Z: 9 8.932 1.863 0.274 0.815 0.875 0.500 CA 1.157 9 residues pruned to eliminate duplicates Z: 20 18.477 2.182 0.525 0.494 0.895 0.526 CB 1.432 20 residues pruned to eliminate duplicates Z: 34 20.929 2.115 0.505 0.451 0.848 0.545 CA 1.420 34 residues pruned to eliminate duplicates Z: 30 22.111 2.110 0.704 0.410 0.897 0.517 CB 1.400 30 residues pruned to eliminate duplicates Z: 29 20.982 2.126 0.731 0.378 0.893 0.536 CB 1.375 38 residues pruned to eliminate duplicates Z: 57 42.332 2.142 0.615 0.582 0.964 0.625 CA 1.566 57 residues pruned to eliminate duplicates Z: 58 40.541 2.180 0.622 0.543 0.930 0.561 CB 1.566 58 residues pruned to eliminate duplicates Z: 32 24.839 2.136 0.605 0.518 0.935 0.613 CB 1.366 32 residues pruned to eliminate duplicates Z: 58 45.075 2.197 0.591 0.591 0.965 0.579 CB 1.623 58 residues pruned to eliminate duplicates Z: 59 44.165 2.216 0.639 0.570 0.931 0.569 CA 1.604 59 residues pruned to eliminate duplicates Z: 59 44.963 2.191 0.627 0.570 0.966 0.517 CB 1.602 59 residues pruned to eliminate duplicates Z: 6 5.895 1.701 0.675 0.471 0.800 0.800 CA 1.191 6 residues pruned to eliminate duplicates Z: 63 43.030 2.128 0.612 0.550 0.935 0.548 CA 1.622 64 residues pruned to eliminate duplicates Z: 6 4.906 1.606 0.475 0.302 1.000 0.600 CA 1.155 6 residues pruned to eliminate duplicates Z: 59 44.959 2.194 0.613 0.589 0.948 0.517 CB 1.616 32 residues pruned to eliminate duplicates Z: 17 31.802 2.221 0.609 0.828 1.000 0.625 CA 1.677 18 residues pruned to eliminate duplicates Z: 18 26.573 2.138 0.575 0.830 0.882 0.647 CA 1.631 18 residues pruned to eliminate duplicates Z: 16 21.649 2.125 0.537 0.656 0.867 0.533 CA 1.708 16 residues pruned to eliminate duplicates Z: 29 36.622 2.086 0.782 0.642 0.964 0.571 CA 1.691 29 residues pruned to eliminate duplicates Z: 17 32.792 2.258 0.565 0.893 1.000 0.375 CA 1.665 17 residues pruned to eliminate duplicates Z: 28 20.196 1.980 0.547 0.514 0.889 0.407 CA 1.408 28 residues pruned to eliminate duplicates Z: 60 37.702 2.131 0.522 0.528 0.915 0.525 CB 1.608 60 residues pruned to eliminate duplicates Z: 26 23.694 2.064 0.683 0.558 0.920 0.440 CA 1.401 26 residues pruned to eliminate duplicates Z: 25 29.757 2.190 0.724 0.685 0.917 0.625 CA 1.482 25 residues pruned to eliminate duplicates Z: 16 28.360 2.188 0.810 0.702 0.933 0.333 CA 1.648 16 residues pruned to eliminate duplicates Z: 28 27.595 1.995 0.602 0.572 0.926 0.593 CA 1.673 28 residues pruned to eliminate duplicates Z: 29 26.502 2.108 0.675 0.599 0.857 0.536 CB 1.506 29 residues pruned to eliminate duplicates Z: 28 29.991 2.120 0.694 0.663 0.889 0.593 CA 1.554 28 residues pruned to eliminate duplicates Z: 28 29.082 2.148 0.605 0.649 0.926 0.630 CA 1.526 28 residues pruned to eliminate duplicates Z: 26 29.065 2.158 0.725 0.664 0.880 0.520 CA 1.525 26 residues pruned to eliminate duplicates Z: 7 5.459 1.794 0.556 0.437 0.667 0.333 CA 1.278 7 residues pruned to eliminate duplicates Z: 59 45.344 2.140 0.660 0.569 0.966 0.586 CB 1.623 56 residues pruned to eliminate duplicates Z: 13 16.882 1.965 0.444 0.828 1.000 0.833 CA 1.292 13 residues pruned to eliminate duplicates Z: 61 38.460 2.102 0.596 0.534 0.933 0.567 CA 1.534 42 residues pruned to eliminate duplicates Z: 11 18.102 2.175 0.232 0.849 1.000 0.700 CA 1.583 11 residues pruned to eliminate duplicates Z: 32 24.433 2.170 0.431 0.541 0.935 0.581 CB 1.451 32 residues pruned to eliminate duplicates Z: 66 39.781 2.088 0.578 0.523 0.923 0.554 CB 1.586 66 residues pruned to eliminate duplicates Z: 11 15.393 2.196 0.169 0.786 1.000 0.700 CA 1.474 11 residues pruned to eliminate duplicates Z: 38 24.717 2.086 0.574 0.451 0.919 0.514 CB 1.416 38 residues pruned to eliminate duplicates Z: 58 43.337 2.193 0.626 0.565 0.930 0.614 CA 1.626 58 residues pruned to eliminate duplicates Z: 57 38.704 2.183 0.622 0.535 0.893 0.536 CB 1.581 57 residues pruned to eliminate duplicates Z: 52 36.553 2.150 0.676 0.529 0.863 0.588 CB 1.600 52 residues pruned to eliminate duplicates Z: 32 25.072 2.188 0.513 0.533 0.903 0.581 CB 1.457 32 residues pruned to eliminate duplicates Z: 58 38.674 2.156 0.601 0.518 0.895 0.491 CB 1.629 58 residues pruned to eliminate duplicates Z: 60 40.384 2.177 0.574 0.546 0.915 0.661 CB 1.603 60 residues pruned to eliminate duplicates Z: 59 46.284 2.200 0.674 0.590 0.931 0.569 CA 1.625 59 residues pruned to eliminate duplicates Z: 9 6.124 1.924 0.341 0.417 0.625 0.375 CA 1.464 9 residues pruned to eliminate duplicates Z: 17 7.680 1.951 0.030 0.375 0.875 0.312 CA 1.248 17 residues pruned to eliminate duplicates Z: 9 9.416 1.920 0.340 0.519 0.875 0.250 CB 1.451 9 residues pruned to eliminate duplicates Z: 9 5.901 1.901 0.191 0.385 0.750 0.250 CB 1.389 9 residues pruned to eliminate duplicates Z: 8 5.896 1.927 0.175 0.492 0.714 0.571 CA 1.388 8 residues pruned to eliminate duplicates Z: 6 2.795 2.047 -0.106 0.299 0.600 0.000 CB 1.424 6 residues pruned to eliminate duplicates Z: 14 5.857 1.850 -0.070 0.262 0.923 0.385 CA 1.343 14 residues pruned to eliminate duplicates Z: 6 5.140 2.016 0.024 0.297 1.000 0.000 CA 1.397 6 residues pruned to eliminate duplicates Z: 26 13.259 2.004 0.219 0.300 0.920 0.560 CA 1.474 26 residues pruned to eliminate duplicates Z: 30 11.720 1.954 0.146 0.289 0.931 0.448 CA 1.324 30 residues pruned to eliminate duplicates Z: 18 10.207 1.878 0.182 0.313 1.000 0.353 CB 1.372 18 residues pruned to eliminate duplicates Z: 12 5.297 1.776 0.241 0.248 0.818 0.273 CA 1.184 12 residues pruned to eliminate duplicates Z: 10 3.886 1.884 -0.007 0.218 0.667 0.111 CA 1.445 10 residues pruned to eliminate duplicates Z: 8 5.106 1.904 0.129 0.341 1.000 0.429 CA 1.068 8 residues pruned to eliminate duplicates Z: 16 7.727 1.948 0.249 0.269 0.800 0.333 CB 1.333 16 residues pruned to eliminate duplicates Z: 34 13.158 1.912 0.216 0.319 0.848 0.455 CA 1.419 34 residues pruned to eliminate duplicates Z: 27 13.921 1.992 0.283 0.300 0.885 0.538 CA 1.510 27 residues pruned to eliminate duplicates Z: 32 16.872 2.028 0.277 0.344 0.903 0.516 CA 1.535 32 residues pruned to eliminate duplicates Z: 19 7.557 1.918 0.237 0.299 0.722 0.444 CA 1.300 19 residues pruned to eliminate duplicates Z: 25 12.738 1.953 0.256 0.282 0.917 0.417 CB 1.479 25 residues pruned to eliminate duplicates Z: 38 12.699 1.895 0.327 0.273 0.838 0.486 CA 1.282 38 residues pruned to eliminate duplicates Z: 24 16.005 2.022 0.335 0.307 1.000 0.565 CA 1.533 24 residues pruned to eliminate duplicates Z: 23 14.431 1.998 0.267 0.355 0.955 0.636 CA 1.489 23 residues pruned to eliminate duplicates Z: 16 13.046 1.923 0.407 0.340 1.000 0.867 CB 1.482 16 residues pruned to eliminate duplicates Z: 28 13.489 1.938 0.258 0.326 0.926 0.519 CA 1.392 28 residues pruned to eliminate duplicates Z: 21 13.428 1.991 0.356 0.355 0.900 0.550 CA 1.446 21 residues pruned to eliminate duplicates Z: 13 13.282 2.149 0.199 0.332 1.000 0.667 CA 1.789 13 residues pruned to eliminate duplicates Z: 43 15.707 1.945 0.193 0.339 0.929 0.524 CA 1.341 48 residues pruned to eliminate duplicates Z: 13 13.551 2.061 0.355 0.693 0.833 0.750 CB 1.409 13 residues pruned to eliminate duplicates Z: 38 30.728 2.162 0.531 0.570 0.919 0.622 CB 1.552 38 residues pruned to eliminate duplicates Z: 60 33.481 2.069 0.592 0.587 0.831 0.492 CA 1.466 63 residues pruned to eliminate duplicates Z: 12 14.626 1.957 0.381 0.802 0.909 0.636 CA 1.380 12 residues pruned to eliminate duplicates Z: 32 27.847 2.064 0.614 0.623 0.871 0.516 CB 1.535 32 residues pruned to eliminate duplicates Z: 30 24.822 2.061 0.523 0.660 0.931 0.690 CB 1.361 30 residues pruned to eliminate duplicates Z: 30 29.949 2.074 0.662 0.697 0.966 0.586 CB 1.396 30 residues pruned to eliminate duplicates Z: 26 36.354 2.159 0.684 0.767 1.000 0.600 CB 1.578 17 residues pruned to eliminate duplicates Z: 13 22.903 2.121 0.646 0.814 0.917 0.417 CB 1.573 13 residues pruned to eliminate duplicates Z: 29 22.907 2.078 0.468 0.682 0.929 0.571 CB 1.293 29 residues pruned to eliminate duplicates Z: 39 37.336 2.184 0.697 0.647 0.895 0.658 CB 1.593 39 residues pruned to eliminate duplicates Z: 39 32.749 2.132 0.709 0.616 0.868 0.605 CB 1.504 26 residues pruned to eliminate duplicates Z: 19 26.216 2.070 0.620 0.906 1.000 0.500 CB 1.310 19 residues pruned to eliminate duplicates Z: 40 26.553 2.014 0.556 0.630 0.872 0.538 CB 1.376 40 residues pruned to eliminate duplicates Z: 40 34.046 2.133 0.690 0.635 0.872 0.641 CB 1.529 40 residues pruned to eliminate duplicates Z: 28 30.650 2.159 0.647 0.718 0.926 0.593 CB 1.472 28 residues pruned to eliminate duplicates Z: 61 35.314 2.057 0.588 0.640 0.867 0.500 CB 1.413 61 residues pruned to eliminate duplicates Z: 46 31.594 2.127 0.624 0.584 0.844 0.489 CB 1.490 45 residues pruned to eliminate duplicates Z: 24 19.390 1.820 0.581 0.760 0.913 0.652 CB 1.221 24 residues pruned to eliminate duplicates Z: 49 40.951 2.089 0.693 0.673 0.938 0.500 CA 1.520 49 residues pruned to eliminate duplicates Z: 23 18.092 1.978 0.541 0.541 0.909 0.500 CA 1.338 22 residues pruned to eliminate duplicates Z: 6 4.436 1.900 0.280 0.373 0.800 0.200 CA 1.168 6 residues pruned to eliminate duplicates Z: 59 31.443 2.093 0.492 0.539 0.862 0.483 CA 1.475 22 residues pruned to eliminate duplicates Z: 12 15.462 1.868 0.776 0.762 0.818 0.091 CA 1.361 12 residues pruned to eliminate duplicates Z: 56 34.942 2.099 0.574 0.553 0.927 0.564 CB 1.460 59 residues pruned to eliminate duplicates Z: 11 15.436 1.942 0.696 0.839 0.900 0.400 CA 1.230 11 residues pruned to eliminate duplicates Z: 49 36.700 2.032 0.716 0.639 0.875 0.417 CB 1.524 49 residues pruned to eliminate duplicates Z: 20 17.910 1.997 0.584 0.632 0.842 0.263 CA 1.363 20 residues pruned to eliminate duplicates Z: 60 38.274 2.087 0.653 0.614 0.881 0.559 CB 1.471 60 residues pruned to eliminate duplicates Z: 29 18.183 2.016 0.578 0.515 0.857 0.464 CA 1.242 29 residues pruned to eliminate duplicates Z: 14 15.970 2.063 0.595 0.685 0.923 0.462 CA 1.230 14 residues pruned to eliminate duplicates Z: 22 16.176 1.998 0.516 0.580 0.905 0.381 CA 1.192 22 residues pruned to eliminate duplicates Z: 61 35.959 2.106 0.530 0.613 0.883 0.533 CB 1.465 54 residues pruned to eliminate duplicates Z: 10 13.553 1.958 0.812 0.517 0.889 0.222 CA 1.408 10 residues pruned to eliminate duplicates Z: 21 18.721 1.954 0.499 0.666 0.950 0.550 CA 1.290 21 residues pruned to eliminate duplicates Z: 16 18.282 2.041 0.778 0.616 0.933 0.467 CA 1.248 16 residues pruned to eliminate duplicates Z: 8 9.306 1.933 0.897 0.398 1.000 0.571 N 1.068 8 residues pruned to eliminate duplicates Z: 30 20.530 2.077 0.620 0.536 0.897 0.379 CA 1.220 30 residues pruned to eliminate duplicates Z: 19 17.280 1.891 0.811 0.660 0.778 0.333 CA 1.319 19 residues pruned to eliminate duplicates Z: 63 32.882 2.060 0.513 0.575 0.855 0.548 CA 1.458 63 residues pruned to eliminate duplicates Z: 33 22.597 2.052 0.656 0.503 0.844 0.375 CA 1.389 33 residues pruned to eliminate duplicates Z: 34 26.628 2.162 0.652 0.533 0.818 0.636 CB 1.535 34 residues pruned to eliminate duplicates Z: 41 25.310 2.058 0.560 0.516 0.875 0.650 CB 1.402 41 residues pruned to eliminate duplicates Z: 39 35.046 2.182 0.652 0.605 0.895 0.605 CA 1.595 39 residues pruned to eliminate duplicates Z: 41 28.187 2.116 0.563 0.562 0.850 0.675 CB 1.493 41 residues pruned to eliminate duplicates Z: 13 13.681 2.214 0.747 0.373 0.833 0.583 CA 1.404 13 residues pruned to eliminate duplicates Z: 35 22.160 2.088 0.639 0.507 0.765 0.412 CA 1.442 35 residues pruned to eliminate duplicates Z: 15 11.222 2.056 0.857 0.306 0.857 0.500 CA 1.137 15 residues pruned to eliminate duplicates Z: 32 21.131 2.139 0.640 0.407 0.806 0.516 CA 1.480 32 residues pruned to eliminate duplicates Z: 12 12.004 2.197 0.725 0.406 0.727 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 14 11.968 2.121 0.768 0.318 0.846 0.462 CA 1.278 14 residues pruned to eliminate duplicates Z: 56 33.831 2.109 0.586 0.597 0.836 0.564 CB 1.487 56 residues pruned to eliminate duplicates Z: 40 28.682 2.154 0.506 0.575 0.872 0.667 CB 1.511 40 residues pruned to eliminate duplicates Z: 39 26.190 2.130 0.393 0.583 0.895 0.711 CB 1.477 39 residues pruned to eliminate duplicates Z: 57 34.281 2.087 0.620 0.560 0.875 0.554 CB 1.460 57 residues pruned to eliminate duplicates Z: 7 7.798 1.699 0.798 0.439 0.833 0.500 CA 1.331 7 residues pruned to eliminate duplicates Z: 21 14.620 1.890 0.649 0.422 0.850 0.400 CB 1.338 28 residues pruned to eliminate duplicates Z: 6 2.108 1.549 0.039 0.455 0.600 0.000 CB 1.023 6 residues pruned to eliminate duplicates Z: 18 12.607 1.945 0.785 0.385 0.706 0.471 CB 1.410 18 residues pruned to eliminate duplicates Z: 25 16.263 1.965 0.445 0.507 0.792 0.542 CA 1.466 26 residues pruned to eliminate duplicates Z: 7 4.775 1.439 0.243 0.407 1.000 0.333 CB 1.201 7 residues pruned to eliminate duplicates Z: 33 16.757 1.973 0.418 0.395 0.844 0.531 CA 1.402 33 residues pruned to eliminate duplicates Z: 26 12.269 1.942 0.189 0.392 0.880 0.480 CA 1.353 26 residues pruned to eliminate duplicates Z: 23 12.253 1.935 0.485 0.349 0.818 0.409 CA 1.309 23 residues pruned to eliminate duplicates Z: 19 11.333 2.009 0.354 0.433 0.778 0.444 CB 1.353 19 residues pruned to eliminate duplicates Z: 47 20.414 1.947 0.442 0.384 0.826 0.500 CA 1.468 47 residues pruned to eliminate duplicates Z: 57 23.054 1.987 0.388 0.409 0.857 0.500 CA 1.433 57 residues pruned to eliminate duplicates Z: 16 11.227 1.973 0.418 0.437 0.800 0.400 CB 1.382 16 residues pruned to eliminate duplicates Z: 34 14.653 1.977 0.304 0.434 0.848 0.455 CA 1.248 34 residues pruned to eliminate duplicates Z: 45 16.695 1.936 0.244 0.414 0.909 0.477 CA 1.256 45 residues pruned to eliminate duplicates Z: 48 21.686 1.947 0.475 0.376 0.872 0.511 CA 1.441 48 residues pruned to eliminate duplicates Z: 36 15.979 1.941 0.496 0.367 0.829 0.514 CA 1.294 36 residues pruned to eliminate duplicates Z: 36 14.394 1.945 0.437 0.341 0.829 0.514 CA 1.250 36 residues pruned to eliminate duplicates Z: 48 18.050 1.941 0.322 0.371 0.809 0.468 CA 1.457 48 residues pruned to eliminate duplicates Z: 45 19.589 1.933 0.316 0.414 0.932 0.500 CA 1.363 45 residues pruned to eliminate duplicates Z: 11 9.389 1.902 0.421 0.671 0.900 0.700 CA 1.042 11 residues pruned to eliminate duplicates Z: 13 7.329 1.873 0.199 0.452 0.833 0.417 CA 1.186 13 residues pruned to eliminate duplicates Z: 15 11.053 1.856 0.212 0.548 0.929 0.429 CB 1.350 15 residues pruned to eliminate duplicates Z: 10 9.534 2.086 0.205 0.598 0.889 0.556 CA 1.295 10 residues pruned to eliminate duplicates Z: 8 6.555 1.999 0.002 0.670 1.000 0.429 CA 1.057 8 residues pruned to eliminate duplicates Z: 10 9.274 2.101 0.090 0.611 0.889 0.444 CA 1.367 10 residues pruned to eliminate duplicates Z: 22 12.588 1.777 0.544 0.517 0.952 0.429 CA 1.033 32 residues pruned to eliminate duplicates Z: 13 11.906 1.893 0.561 0.592 0.917 0.250 CA 1.163 13 residues pruned to eliminate duplicates Z: 17 12.651 1.888 0.519 0.597 0.812 0.312 CA 1.237 17 residues pruned to eliminate duplicates 6 1.563 1.726 0.130 0.285 0.400 0.200 CA 1.141 ? Z: 34 22.671 1.913 0.618 0.638 0.788 0.394 CA 1.423 34 residues pruned to eliminate duplicates Z: 18 15.224 1.915 0.585 0.497 0.824 0.294 CA 1.481 18 residues pruned to eliminate duplicates Z: 40 29.695 2.122 0.549 0.499 0.872 0.538 CA 1.661 41 residues pruned to eliminate duplicates Z: 11 23.795 1.940 1.077 0.831 0.900 0.300 CB 1.559 11 residues pruned to eliminate duplicates Z: 46 23.878 2.004 0.462 0.479 0.844 0.311 CA 1.470 46 residues pruned to eliminate duplicates Z: 47 27.415 2.044 0.555 0.496 0.848 0.413 CA 1.505 47 residues pruned to eliminate duplicates Z: 33 26.792 2.101 0.617 0.514 0.875 0.375 CA 1.572 33 residues pruned to eliminate duplicates Z: 17 21.444 2.091 0.962 0.579 0.875 0.312 CA 1.384 17 residues pruned to eliminate duplicates Z: 25 20.590 2.041 0.659 0.538 0.875 0.417 CA 1.366 25 residues pruned to eliminate duplicates Z: 15 16.485 2.028 0.715 0.676 0.786 0.286 CA 1.371 15 residues pruned to eliminate duplicates Z: 27 24.530 2.076 0.600 0.632 0.808 0.423 CA 1.584 27 residues pruned to eliminate duplicates Z: 39 22.896 2.072 0.491 0.462 0.842 0.421 CA 1.484 39 residues pruned to eliminate duplicates Z: 33 27.485 2.159 0.555 0.496 0.906 0.500 CA 1.603 33 residues pruned to eliminate duplicates Z: 47 26.462 2.051 0.548 0.485 0.804 0.370 CA 1.551 47 residues pruned to eliminate duplicates Z: 24 20.750 2.071 0.857 0.583 0.652 0.261 CA 1.593 24 residues pruned to eliminate duplicates Z: 23 27.127 2.034 0.812 0.567 0.909 0.364 CA 1.617 23 residues pruned to eliminate duplicates Z: 35 24.938 2.146 0.671 0.463 0.765 0.382 CA 1.619 35 residues pruned to eliminate duplicates Z: 27 14.955 2.071 0.539 0.274 0.846 0.500 CA 1.404 27 residues pruned to eliminate duplicates Z: 33 24.946 2.127 0.699 0.466 0.812 0.406 CA 1.554 33 residues pruned to eliminate duplicates Z: 39 28.165 2.103 0.539 0.457 0.947 0.447 CA 1.557 39 residues pruned to eliminate duplicates Z: 46 26.799 2.066 0.604 0.472 0.822 0.333 CA 1.508 46 residues pruned to eliminate duplicates Z: 25 15.398 2.102 0.449 0.355 0.833 0.500 CA 1.448 25 residues pruned to eliminate duplicates Z: 43 28.933 2.087 0.590 0.494 0.881 0.429 CA 1.538 43 residues pruned to eliminate duplicates Z: 33 26.770 2.119 0.609 0.463 0.875 0.469 CA 1.647 33 residues pruned to eliminate duplicates Z: 47 31.777 2.065 0.598 0.537 0.891 0.413 CA 1.537 47 residues pruned to eliminate duplicates Z: 47 25.810 2.037 0.658 0.465 0.783 0.348 CA 1.492 47 residues pruned to eliminate duplicates Z: 42 27.655 2.099 0.582 0.495 0.854 0.366 CA 1.531 42 residues pruned to eliminate duplicates Z: 35 25.070 2.136 0.687 0.493 0.765 0.471 CA 1.572 35 residues pruned to eliminate duplicates Z: 35 25.471 2.136 0.541 0.487 0.824 0.441 CB 1.633 35 residues pruned to eliminate duplicates Z: 39 25.328 2.121 0.548 0.488 0.789 0.368 CA 1.605 39 residues pruned to eliminate duplicates Z: 51 20.992 1.967 0.481 0.418 0.780 0.420 CB 1.423 51 residues pruned to eliminate duplicates Z: 51 31.815 2.043 0.700 0.531 0.860 0.480 CA 1.462 51 residues pruned to eliminate duplicates Z: 36 21.737 2.029 0.679 0.426 0.771 0.400 CA 1.510 36 residues pruned to eliminate duplicates Z: 38 27.743 2.112 0.687 0.468 0.838 0.459 CA 1.578 38 residues pruned to eliminate duplicates Z: 19 18.190 2.123 0.478 0.469 0.889 0.556 CB 1.586 19 residues pruned to eliminate duplicates Z: 9 8.893 1.671 0.624 0.836 0.875 0.750 CA 0.991 9 residues pruned to eliminate duplicates Z: 28 17.392 2.055 0.391 0.438 0.889 0.519 CA 1.404 26 residues pruned to eliminate duplicates Z: 9 7.943 1.874 0.322 0.638 0.875 0.500 CA 1.139 9 residues pruned to eliminate duplicates Z: 30 17.150 1.974 0.717 0.368 0.828 0.448 CA 1.308 30 residues pruned to eliminate duplicates Z: 27 13.044 1.959 0.296 0.416 0.808 0.500 CB 1.361 27 residues pruned to eliminate duplicates Z: 21 12.475 1.950 0.352 0.437 0.800 0.500 CB 1.413 21 residues pruned to eliminate duplicates Z: 27 13.738 1.909 0.384 0.430 0.808 0.500 CB 1.358 27 residues pruned to eliminate duplicates Z: 19 14.377 1.992 0.274 0.465 0.944 0.500 CB 1.465 19 residues pruned to eliminate duplicates Z: 17 16.875 2.039 0.349 0.521 0.938 0.562 CB 1.603 17 residues pruned to eliminate duplicates Z: 21 13.349 1.950 0.465 0.461 0.750 0.450 CB 1.451 21 residues pruned to eliminate duplicates Z: 15 11.998 1.922 0.439 0.467 0.857 0.500 CB 1.399 15 residues pruned to eliminate duplicates Z: 11 14.339 1.979 0.564 0.507 1.000 0.500 CB 1.455 11 residues pruned to eliminate duplicates Z: 16 15.481 2.043 0.358 0.460 1.000 0.467 CB 1.501 16 residues pruned to eliminate duplicates Z: 17 18.119 2.005 0.442 0.515 1.000 0.688 CB 1.544 17 residues pruned to eliminate duplicates Z: 14 17.146 2.060 0.347 0.565 1.000 0.692 CB 1.609 14 residues pruned to eliminate duplicates Z: 17 20.137 2.028 0.498 0.532 1.000 0.625 CB 1.606 28 residues pruned to eliminate duplicates Z: 6 7.646 1.867 0.958 0.286 0.800 0.200 CA 1.487 6 residues pruned to eliminate duplicates Z: 18 10.613 1.823 0.478 0.340 0.824 0.412 CB 1.381 18 residues pruned to eliminate duplicates Z: 29 14.930 1.908 0.360 0.396 0.786 0.500 CB 1.545 29 residues pruned to eliminate duplicates Z: 12 15.867 1.983 0.511 0.470 1.000 0.727 CB 1.645 14 residues pruned to eliminate duplicates Z: 8 4.619 1.897 -0.163 0.562 0.714 0.143 CB 1.450 8 residues pruned to eliminate duplicates Z: 20 11.084 1.832 0.475 0.295 0.789 0.368 CB 1.500 20 residues pruned to eliminate duplicates Z: 14 10.213 2.007 0.218 0.402 0.846 0.538 CA 1.518 14 residues pruned to eliminate duplicates Z: 22 11.205 1.912 0.347 0.395 0.714 0.429 CB 1.485 22 residues pruned to eliminate duplicates Z: 13 6.380 1.992 0.355 0.300 0.583 0.500 CB 1.463 13 residues pruned to eliminate duplicates Z: 8 6.599 2.056 0.027 0.459 0.714 0.429 N 1.725 8 residues pruned to eliminate duplicates Z: 14 5.968 1.915 0.139 0.316 0.615 0.462 CB 1.511 14 residues pruned to eliminate duplicates Z: 27 14.828 2.012 0.382 0.386 0.808 0.538 CA 1.460 26 residues pruned to eliminate duplicates Z: 6 3.400 1.439 0.503 0.481 0.800 0.600 N 0.896 6 residues pruned to eliminate duplicates Z: 37 19.169 2.025 0.472 0.400 0.833 0.528 CA 1.429 37 residues pruned to eliminate duplicates Z: 8 2.510 1.336 0.345 0.327 0.714 0.571 N 0.894 8 residues pruned to eliminate duplicates Z: 25 14.740 1.998 0.482 0.384 0.875 0.625 CA 1.314 25 residues pruned to eliminate duplicates Z: 6 3.661 1.483 0.072 0.466 1.000 1.000 CA 1.066 6 residues pruned to eliminate duplicates Z: 25 12.687 2.027 0.323 0.352 0.792 0.542 CA 1.431 25 residues pruned to eliminate duplicates Z: 6 4.765 1.911 0.391 0.314 0.800 0.200 CA 1.231 6 residues pruned to eliminate duplicates Z: 10 5.103 2.091 0.384 0.247 0.667 0.444 CA 1.180 10 residues pruned to eliminate duplicates Z: 39 21.657 1.997 0.430 0.417 0.895 0.658 CA 1.499 37 residues pruned to eliminate duplicates Z: 7 4.474 1.575 0.445 0.454 1.000 0.167 CB 0.842 7 residues pruned to eliminate duplicates Z: 6 6.333 2.051 0.194 0.334 1.000 0.600 CB 1.387 6 residues pruned to eliminate duplicates Z: 12 10.201 1.897 0.256 0.613 1.000 0.545 CB 1.160 12 residues pruned to eliminate duplicates Z: 14 11.771 1.926 0.447 0.462 0.846 0.385 CB 1.439 10 residues pruned to eliminate duplicates 579 residues left after pruning, divided into chains as follows: A: 11 B: 6 C: 13 D: 13 E: 8 F: 55 G: 10 H: 10 I: 10 J: 15 K: 10 L: 11 M: 11 N: 10 O: 61 P: 58 Q: 43 R: 60 S: 98 T: 19 U: 39 V: 8 CC for partial structure against native data = 20.37 % ------------------------------------------------------------------------------ Global autotracing cycle 30 = 0.300, Contrast = 0.397, Connect. = 0.683 for dens.mod. cycle 1 = 0.300, Contrast = 0.458, Connect. = 0.704 for dens.mod. cycle 2 = 0.300, Contrast = 0.531, Connect. = 0.738 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.553, Connect. = 0.751 for dens.mod. cycle 6 = 0.300, Contrast = 0.557, Connect. = 0.754 for dens.mod. cycle 7 = 0.300, Contrast = 0.560, Connect. = 0.756 for dens.mod. cycle 8 = 0.300, Contrast = 0.562, Connect. = 0.758 for dens.mod. cycle 9 = 0.300, Contrast = 0.564, Connect. = 0.759 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6894 peaks > 0.5 sigma used to seed fragment search Space for about 1221 unique residues taking solvent into account 1235 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 16.656 2.022 0.773 0.802 0.750 0.583 CA 1.373 B: 13 12.213 1.943 0.513 0.587 0.833 0.417 CB 1.324 C: 17 28.161 2.239 0.383 0.863 1.000 0.750 CB 1.667 D: 16 33.705 2.266 0.604 0.890 1.000 0.600 CA 1.722 17 residues pruned to eliminate duplicates E: 15 30.090 2.291 0.621 0.873 0.929 0.857 CA 1.698 15 residues pruned to eliminate duplicates F: 18 28.639 2.095 0.593 0.829 1.000 0.706 CA 1.565 17 residues pruned to eliminate duplicates G: 14 15.695 1.878 0.783 0.734 0.846 0.538 CA 1.245 14 residues pruned to eliminate duplicates H: 11 17.791 2.008 0.828 0.786 0.900 0.700 CA 1.324 11 residues pruned to eliminate duplicates I: 10 14.741 1.972 0.722 0.794 0.778 0.556 CA 1.438 J: 15 27.957 2.225 0.474 0.911 1.000 0.857 CA 1.614 15 residues pruned to eliminate duplicates K: 8 10.768 2.059 0.360 0.586 1.000 0.857 CB 1.338 L: 17 27.822 2.123 0.439 0.924 1.000 0.938 CB 1.599 17 residues pruned to eliminate duplicates M: 17 30.643 2.216 0.572 0.876 1.000 0.688 CA 1.598 17 residues pruned to eliminate duplicates N: 15 32.778 2.320 0.570 0.915 0.929 0.714 CA 1.831 15 residues pruned to eliminate duplicates O: 24 12.080 1.953 0.266 0.399 0.870 0.609 CB 1.304 P: 11 9.119 1.838 0.311 0.755 0.900 0.500 CA 1.060 Q: 18 23.393 2.164 0.406 0.931 1.000 0.647 CB 1.303 R: 25 15.074 2.024 0.407 0.470 0.875 0.458 CB 1.272 25 residues pruned to eliminate duplicates S: 19 16.382 2.199 0.799 0.342 0.833 0.500 CA 1.391 T: 10 5.573 1.511 0.666 0.455 0.778 0.333 CB 0.993 U: 10 5.896 1.972 0.064 0.433 0.778 0.444 CA 1.291 V: 10 11.658 1.930 0.214 0.797 0.889 0.444 CA 1.439 10 residues pruned to eliminate duplicates W: 12 14.358 2.186 0.571 0.471 0.909 0.545 CA 1.428 X: 9 15.226 1.841 0.739 0.843 0.875 0.750 CA 1.431 Y: 18 23.680 2.121 0.390 0.896 1.000 0.941 CA 1.396 18 residues pruned to eliminate duplicates Z: 17 8.093 1.879 0.203 0.368 0.875 0.438 CB 1.178 10 residues pruned to eliminate duplicates Z: 18 28.081 2.116 0.800 0.808 0.882 0.706 CA 1.549 18 residues pruned to eliminate duplicates Z: 9 9.955 1.668 0.499 0.820 1.000 0.750 CA 1.066 Z: 15 10.132 2.049 0.498 0.432 0.714 0.429 CA 1.324 15 residues pruned to eliminate duplicates Z: 10 18.064 1.966 0.651 0.872 1.000 0.667 CA 1.353 10 residues pruned to eliminate duplicates Z: 22 12.901 1.885 0.569 0.594 0.714 0.429 CB 1.219 Z: 16 8.934 1.945 0.157 0.425 0.800 0.333 CB 1.385 16 residues pruned to eliminate duplicates Z: 10 11.717 1.928 0.403 0.636 0.889 0.778 CA 1.430 Z: 18 24.162 2.065 0.541 0.819 0.882 0.588 CA 1.583 18 residues pruned to eliminate duplicates Z: 16 13.351 2.009 0.485 0.541 0.800 0.533 CA 1.386 8 residues pruned to eliminate duplicates Z: 31 15.801 2.023 0.299 0.336 0.967 0.400 CA 1.358 5 residues pruned to eliminate duplicates Z: 33 15.319 1.958 0.245 0.317 0.875 0.594 CB 1.555 10 residues pruned to eliminate duplicates Z: 13 7.370 2.019 0.568 0.386 0.667 0.583 CB 1.138 12 residues pruned to eliminate duplicates Z: 8 9.322 1.999 0.370 0.831 0.857 0.571 CA 1.128 11 residues pruned to eliminate duplicates Z: 53 44.004 2.226 0.573 0.603 0.962 0.673 CA 1.643 12 residues pruned to eliminate duplicates Z: 11 19.197 2.043 0.476 0.796 1.000 0.800 CB 1.553 13 residues pruned to eliminate duplicates Z: 22 13.857 2.064 0.471 0.433 0.762 0.524 CB 1.401 22 residues pruned to eliminate duplicates Z: 20 19.969 2.087 0.616 0.575 0.895 0.684 CA 1.412 20 residues pruned to eliminate duplicates Z: 17 8.902 1.805 0.387 0.427 0.875 0.500 CA 1.096 11 residues pruned to eliminate duplicates Z: 16 27.465 2.104 0.521 0.906 1.000 0.867 CB 1.576 16 residues pruned to eliminate duplicates Z: 13 9.683 1.702 0.220 0.875 1.000 0.833 CA 0.979 9 residues pruned to eliminate duplicates Z: 29 19.757 2.080 0.352 0.437 0.929 0.571 CB 1.525 10 residues pruned to eliminate duplicates Z: 11 14.784 2.099 0.428 0.839 0.900 0.900 CB 1.295 Z: 17 9.745 1.829 0.342 0.456 0.812 0.562 CB 1.279 Z: 16 25.319 2.135 0.605 0.842 0.933 0.667 CA 1.523 16 residues pruned to eliminate duplicates Z: 10 7.562 1.788 0.154 0.752 0.889 0.667 CA 1.098 10 residues pruned to eliminate duplicates Z: 17 19.972 2.074 0.327 0.874 0.938 0.938 CB 1.408 11 residues pruned to eliminate duplicates Z: 34 25.678 2.002 0.708 0.565 0.879 0.424 CA 1.397 30 residues pruned to eliminate duplicates Z: 19 19.064 2.090 0.323 0.901 0.889 0.722 CB 1.305 19 residues pruned to eliminate duplicates Z: 14 11.082 1.913 0.438 0.440 0.846 0.538 CB 1.405 Z: 10 13.131 1.978 0.074 0.907 1.000 0.778 CA 1.464 10 residues pruned to eliminate duplicates Z: 17 12.689 1.843 0.431 0.417 0.938 0.438 N 1.399 17 residues pruned to eliminate duplicates Z: 18 19.303 2.062 0.200 0.884 0.941 0.706 CB 1.452 18 residues pruned to eliminate duplicates Z: 9 11.982 2.035 0.074 0.889 0.875 0.875 CB 1.595 9 residues pruned to eliminate duplicates Z: 12 17.837 1.911 0.421 0.892 1.000 0.818 CB 1.423 13 residues pruned to eliminate duplicates Z: 7 11.950 1.962 0.446 0.815 0.833 0.667 CA 1.569 7 residues pruned to eliminate duplicates Z: 15 11.893 1.879 0.255 0.544 0.929 0.429 CA 1.391 15 residues pruned to eliminate duplicates Z: 43 15.730 1.887 0.330 0.416 0.857 0.452 CA 1.231 37 residues pruned to eliminate duplicates Z: 14 23.322 2.255 0.513 0.898 1.000 0.538 CB 1.356 14 residues pruned to eliminate duplicates Z: 8 14.837 2.008 0.475 0.907 0.857 0.714 CB 1.571 8 residues pruned to eliminate duplicates Z: 8 8.256 1.729 -0.022 0.868 1.000 0.857 CA 1.349 8 residues pruned to eliminate duplicates Z: 12 19.230 2.228 0.282 0.875 1.000 1.000 CB 1.477 12 residues pruned to eliminate duplicates Z: 11 20.738 2.216 0.409 0.881 1.000 0.800 CB 1.520 11 residues pruned to eliminate duplicates Z: 21 8.741 1.892 0.208 0.371 0.800 0.400 CB 1.228 15 residues pruned to eliminate duplicates Z: 24 16.691 2.088 0.404 0.494 0.913 0.609 CA 1.308 25 residues pruned to eliminate duplicates Z: 11 12.932 2.110 0.349 0.712 0.800 0.700 CB 1.482 11 residues pruned to eliminate duplicates Z: 19 22.688 2.040 0.377 0.904 0.944 0.778 CA 1.436 19 residues pruned to eliminate duplicates Z: 19 21.819 1.974 0.379 0.865 0.944 0.556 CB 1.466 17 residues pruned to eliminate duplicates Z: 15 11.731 2.047 0.635 0.373 0.643 0.500 CA 1.669 15 residues pruned to eliminate duplicates Z: 16 28.780 2.192 0.787 0.918 1.000 0.867 CB 1.338 18 residues pruned to eliminate duplicates Z: 16 14.677 2.011 0.357 0.562 0.933 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 16 8.850 1.789 0.588 0.350 0.800 0.400 CA 1.183 Z: 10 10.235 1.888 0.568 0.410 1.000 0.667 CB 1.267 Z: 55 43.492 2.204 0.632 0.554 0.963 0.611 CB 1.620 55 residues pruned to eliminate duplicates Z: 26 15.548 2.033 0.531 0.296 0.920 0.520 CB 1.364 26 residues pruned to eliminate duplicates Z: 9 7.955 1.974 0.253 0.422 0.875 0.500 CA 1.409 Z: 21 7.855 1.642 0.212 0.340 0.850 0.650 N 1.236 11 residues pruned to eliminate duplicates Z: 7 3.368 1.783 0.398 0.370 0.500 0.500 N 1.268 Z: 20 11.758 1.872 0.527 0.397 0.842 0.368 CB 1.249 17 residues pruned to eliminate duplicates Z: 27 13.657 1.957 0.470 0.356 0.846 0.385 CB 1.285 27 residues pruned to eliminate duplicates Z: 7 8.288 1.828 0.135 0.751 1.000 1.000 CB 1.304 7 residues pruned to eliminate duplicates Z: 6 4.189 1.696 0.510 0.348 0.800 0.400 CB 1.078 Z: 10 21.550 2.214 0.384 0.879 1.000 0.778 CB 1.699 10 residues pruned to eliminate duplicates Z: 25 12.819 1.943 0.415 0.369 0.875 0.667 CA 1.251 25 residues pruned to eliminate duplicates Z: 33 17.394 1.997 0.221 0.618 0.844 0.719 CB 1.336 24 residues pruned to eliminate duplicates Z: 17 14.409 1.985 0.296 0.519 1.000 0.625 CB 1.374 Z: 9 11.128 1.898 0.195 0.814 0.875 0.625 CA 1.509 9 residues pruned to eliminate duplicates Z: 18 15.791 1.917 0.132 0.866 0.882 0.706 CB 1.464 18 residues pruned to eliminate duplicates Z: 17 20.305 2.127 0.223 0.869 1.000 0.875 CB 1.425 17 residues pruned to eliminate duplicates Z: 18 19.871 2.104 0.262 0.897 0.941 0.706 CB 1.380 18 residues pruned to eliminate duplicates Z: 9 9.846 2.039 -0.097 0.862 0.875 0.625 CA 1.588 9 residues pruned to eliminate duplicates Z: 7 4.217 1.546 0.018 0.543 1.000 0.833 CB 1.050 Z: 10 6.907 2.004 0.180 0.396 0.778 0.444 CB 1.397 10 residues pruned to eliminate duplicates Z: 51 39.518 2.063 0.746 0.603 0.900 0.540 CA 1.564 18 residues pruned to eliminate duplicates Z: 24 15.550 2.116 0.843 0.280 0.826 0.348 CB 1.290 21 residues pruned to eliminate duplicates Z: 35 13.440 1.962 0.217 0.347 0.824 0.559 CB 1.384 36 residues pruned to eliminate duplicates Z: 17 21.409 2.119 0.533 0.843 0.938 0.750 CB 1.309 17 residues pruned to eliminate duplicates Z: 13 11.034 1.893 0.217 0.532 0.917 0.500 N 1.461 12 residues pruned to eliminate duplicates Z: 17 8.315 1.958 0.101 0.439 0.812 0.500 CA 1.265 17 residues pruned to eliminate duplicates Z: 13 10.649 1.865 0.289 0.576 0.917 0.583 CB 1.296 Z: 29 17.948 1.998 0.449 0.366 0.857 0.429 CA 1.578 10 residues pruned to eliminate duplicates Z: 9 14.830 1.932 0.646 0.872 0.875 0.875 CB 1.373 9 residues pruned to eliminate duplicates Z: 23 13.296 1.833 0.353 0.393 0.909 0.591 CA 1.407 28 residues pruned to eliminate duplicates Z: 44 37.716 2.158 0.808 0.516 0.930 0.651 CB 1.559 44 residues pruned to eliminate duplicates Z: 7 12.521 1.931 0.454 0.697 1.000 0.500 CB 1.521 7 residues pruned to eliminate duplicates Z: 24 14.988 2.085 0.398 0.321 0.913 0.435 CB 1.430 18 residues pruned to eliminate duplicates Z: 31 29.481 2.053 0.788 0.569 0.867 0.467 CA 1.583 31 residues pruned to eliminate duplicates Z: 20 21.658 2.104 0.556 0.645 0.947 0.526 CB 1.400 20 residues pruned to eliminate duplicates Z: 61 35.614 2.055 0.645 0.624 0.833 0.433 CB 1.452 63 residues pruned to eliminate duplicates Z: 33 14.744 1.928 0.392 0.326 0.906 0.500 CA 1.297 33 residues pruned to eliminate duplicates Z: 8 5.169 1.880 -0.017 0.557 0.714 0.714 CA 1.401 8 residues pruned to eliminate duplicates Z: 20 18.867 1.961 0.450 0.693 0.947 0.263 CA 1.347 22 residues pruned to eliminate duplicates Z: 19 7.497 1.875 0.029 0.334 0.833 0.556 CB 1.318 19 residues pruned to eliminate duplicates Z: 10 5.412 1.948 0.307 0.338 0.556 0.444 CB 1.521 10 residues pruned to eliminate duplicates Z: 27 23.426 2.198 0.540 0.478 0.846 0.577 CA 1.640 28 residues pruned to eliminate duplicates Z: 17 10.506 2.037 0.686 0.315 0.875 0.500 CA 1.072 17 residues pruned to eliminate duplicates Z: 10 20.004 1.892 0.815 0.895 1.000 0.444 CA 1.393 10 residues pruned to eliminate duplicates Z: 7 4.294 2.063 -0.064 0.274 1.000 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 26 17.517 2.022 0.219 0.535 0.880 0.720 CB 1.560 17 residues pruned to eliminate duplicates Z: 9 14.556 1.903 0.420 0.873 1.000 0.750 CA 1.387 9 residues pruned to eliminate duplicates Z: 18 16.848 2.004 0.063 0.893 0.941 0.824 CB 1.464 18 residues pruned to eliminate duplicates Z: 12 6.173 1.684 0.214 0.482 0.818 0.545 CB 1.133 12 residues pruned to eliminate duplicates Z: 11 15.279 1.971 0.787 0.521 1.000 0.700 CA 1.344 15 residues pruned to eliminate duplicates Z: 21 7.043 1.753 0.302 0.256 0.650 0.400 CB 1.404 10 residues pruned to eliminate duplicates Z: 20 27.793 1.974 0.732 0.910 0.947 0.632 CB 1.396 17 residues pruned to eliminate duplicates Z: 10 13.459 1.907 0.150 0.872 1.000 0.778 CA 1.491 10 residues pruned to eliminate duplicates Z: 11 9.589 1.880 0.457 0.445 0.900 0.600 CA 1.302 11 residues pruned to eliminate duplicates Z: 13 16.127 2.003 0.492 0.517 1.000 0.583 CB 1.531 13 residues pruned to eliminate duplicates Z: 13 9.657 1.869 0.433 0.427 0.917 0.667 CA 1.225 13 residues pruned to eliminate duplicates Z: 9 8.673 1.914 0.410 0.623 0.875 0.875 CB 1.156 9 residues pruned to eliminate duplicates Z: 11 12.259 2.162 0.511 0.496 0.900 0.600 CA 1.324 11 residues pruned to eliminate duplicates Z: 35 12.911 1.966 0.268 0.337 0.794 0.471 CA 1.337 35 residues pruned to eliminate duplicates Z: 17 12.841 2.002 0.269 0.589 0.875 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 17 20.343 2.113 0.176 0.883 1.000 0.812 CB 1.480 17 residues pruned to eliminate duplicates Z: 10 12.788 1.743 0.355 0.853 1.000 0.556 CA 1.335 8 residues pruned to eliminate duplicates Z: 45 25.083 2.076 0.554 0.526 0.750 0.386 CA 1.524 50 residues pruned to eliminate duplicates Z: 7 3.270 1.586 0.277 0.250 1.000 0.500 CB 0.879 7 residues pruned to eliminate duplicates Z: 14 31.322 2.280 0.572 0.880 1.000 0.769 CA 1.756 14 residues pruned to eliminate duplicates Z: 8 9.971 1.835 0.564 0.616 0.857 0.714 CB 1.373 8 residues pruned to eliminate duplicates Z: 8 5.353 1.822 0.535 0.522 0.857 0.571 CB 0.826 8 residues pruned to eliminate duplicates Z: 18 24.173 2.099 0.490 0.878 0.941 0.647 CB 1.445 18 residues pruned to eliminate duplicates Z: 11 10.624 1.570 0.694 0.709 0.900 0.600 N 1.160 11 residues pruned to eliminate duplicates Z: 15 7.259 1.863 0.186 0.402 0.786 0.429 CA 1.238 15 residues pruned to eliminate duplicates Z: 9 15.786 2.093 0.366 0.702 1.000 0.625 CB 1.624 Z: 10 17.615 2.112 0.648 0.859 0.889 0.889 CB 1.397 10 residues pruned to eliminate duplicates Z: 17 25.562 2.118 0.688 0.895 0.938 0.812 CB 1.367 17 residues pruned to eliminate duplicates Z: 32 17.843 1.982 0.511 0.311 0.935 0.419 CB 1.411 32 residues pruned to eliminate duplicates Z: 7 4.008 1.721 0.487 0.358 0.667 0.500 CA 1.119 Z: 34 26.393 2.102 0.701 0.497 0.848 0.515 CA 1.519 36 residues pruned to eliminate duplicates Z: 13 11.039 1.891 0.352 0.577 0.917 0.583 CB 1.262 13 residues pruned to eliminate duplicates Z: 8 8.433 1.655 0.315 0.820 0.857 0.714 N 1.295 8 residues pruned to eliminate duplicates Z: 7 7.968 1.717 0.498 0.490 1.000 0.833 CB 1.278 Z: 39 25.786 2.064 0.601 0.449 0.868 0.500 CA 1.536 39 residues pruned to eliminate duplicates Z: 12 24.294 2.039 0.586 0.914 1.000 0.727 CB 1.602 12 residues pruned to eliminate duplicates Z: 12 11.687 1.759 0.401 0.719 0.818 0.636 N 1.433 12 residues pruned to eliminate duplicates Z: 16 27.518 2.175 0.600 0.916 1.000 0.600 CB 1.442 16 residues pruned to eliminate duplicates Z: 33 24.957 2.119 0.527 0.489 0.906 0.531 CA 1.521 33 residues pruned to eliminate duplicates Z: 16 17.407 2.014 0.635 0.612 0.867 0.467 CB 1.416 16 residues pruned to eliminate duplicates Z: 8 8.638 1.684 0.286 0.662 1.000 0.571 CA 1.297 7 residues pruned to eliminate duplicates Z: 8 8.307 1.669 0.551 0.554 1.000 0.714 CA 1.150 Z: 47 21.183 2.047 0.516 0.463 0.761 0.348 CA 1.374 47 residues pruned to eliminate duplicates Z: 19 23.557 2.083 0.471 0.894 1.000 0.944 CA 1.299 27 residues pruned to eliminate duplicates Z: 15 11.080 2.006 0.412 0.520 0.786 0.643 CA 1.305 15 residues pruned to eliminate duplicates Z: 61 34.540 2.065 0.530 0.599 0.900 0.617 CB 1.426 42 residues pruned to eliminate duplicates Z: 9 2.747 1.696 0.538 0.185 0.625 0.375 CA 0.870 Z: 12 6.899 1.895 0.181 0.473 0.909 0.636 CA 1.051 11 residues pruned to eliminate duplicates Z: 6 3.947 1.539 0.336 0.474 0.800 0.600 CB 1.101 Z: 9 14.776 2.109 0.300 0.685 1.000 0.625 CB 1.608 9 residues pruned to eliminate duplicates Z: 13 9.179 1.881 0.299 0.539 0.833 0.583 CB 1.253 13 residues pruned to eliminate duplicates Z: 40 18.829 2.022 0.402 0.445 0.897 0.436 CA 1.255 43 residues pruned to eliminate duplicates Z: 23 14.383 2.058 0.381 0.498 0.864 0.636 CA 1.252 23 residues pruned to eliminate duplicates Z: 24 13.993 2.123 0.735 0.272 0.783 0.435 CB 1.311 24 residues pruned to eliminate duplicates Z: 10 5.007 1.994 0.623 0.250 0.667 0.556 CB 1.031 9 residues pruned to eliminate duplicates Z: 62 32.721 2.043 0.394 0.610 0.885 0.574 CA 1.497 27 residues pruned to eliminate duplicates Z: 13 10.808 2.013 0.403 0.503 0.750 0.500 CB 1.468 13 residues pruned to eliminate duplicates Z: 37 14.612 1.921 0.299 0.311 0.861 0.472 CB 1.397 35 residues pruned to eliminate duplicates Z: 18 28.845 2.041 0.632 0.860 0.941 0.529 CA 1.641 18 residues pruned to eliminate duplicates Z: 15 21.709 2.029 0.644 0.876 0.929 0.786 CB 1.361 15 residues pruned to eliminate duplicates Z: 11 8.710 1.753 0.333 0.543 0.800 0.400 CB 1.413 Z: 11 8.679 2.010 -0.064 0.650 0.900 0.400 N 1.409 11 residues pruned to eliminate duplicates Z: 18 14.152 2.140 0.703 0.309 0.824 0.471 CA 1.414 16 residues pruned to eliminate duplicates Z: 14 12.733 1.780 0.788 0.493 0.923 0.615 CB 1.211 14 residues pruned to eliminate duplicates Z: 10 4.283 1.873 0.003 0.286 0.778 0.444 CA 1.243 10 residues pruned to eliminate duplicates Z: 6 7.740 1.700 0.565 0.667 1.000 0.800 CB 1.115 Z: 13 8.554 1.685 0.189 0.551 0.917 0.583 CB 1.279 13 residues pruned to eliminate duplicates Z: 7 6.041 1.731 0.483 0.881 0.833 0.833 CB 0.835 Z: 18 23.399 2.112 0.596 0.928 0.941 0.588 CB 1.253 18 residues pruned to eliminate duplicates Z: 24 12.108 1.841 0.528 0.389 0.826 0.391 CB 1.223 24 residues pruned to eliminate duplicates Z: 10 5.429 1.825 0.042 0.682 1.000 0.778 CB 0.805 Z: 25 13.977 2.087 0.670 0.269 0.792 0.500 CA 1.345 30 residues pruned to eliminate duplicates Z: 6 4.043 1.613 0.191 0.755 1.000 0.800 CB 0.750 6 residues pruned to eliminate duplicates Z: 44 31.872 2.116 0.647 0.543 0.930 0.581 CB 1.438 44 residues pruned to eliminate duplicates Z: 9 10.119 1.925 0.107 0.851 0.875 0.625 CA 1.421 9 residues pruned to eliminate duplicates Z: 19 19.480 1.895 0.743 0.865 0.889 0.389 CB 1.146 19 residues pruned to eliminate duplicates Z: 22 27.882 2.155 0.567 0.622 1.000 0.714 CA 1.607 14 residues pruned to eliminate duplicates Z: 6 12.723 2.045 0.621 0.760 1.000 0.800 CA 1.362 6 residues pruned to eliminate duplicates Z: 19 25.955 2.017 0.508 0.860 1.000 0.500 CA 1.479 19 residues pruned to eliminate duplicates Z: 30 12.717 2.001 0.355 0.376 0.828 0.517 CB 1.202 30 residues pruned to eliminate duplicates Z: 9 8.492 1.880 -0.026 0.788 0.875 0.250 N 1.455 9 residues pruned to eliminate duplicates Z: 12 8.736 1.862 0.105 0.534 0.818 0.364 CB 1.514 12 residues pruned to eliminate duplicates Z: 32 23.769 2.128 0.570 0.523 0.871 0.710 CB 1.434 32 residues pruned to eliminate duplicates Z: 37 24.565 2.082 0.575 0.478 0.833 0.389 CA 1.532 37 residues pruned to eliminate duplicates Z: 9 2.860 1.496 0.142 0.394 0.750 0.500 CB 0.883 Z: 14 9.224 1.972 0.351 0.398 0.846 0.615 CB 1.263 14 residues pruned to eliminate duplicates Z: 17 8.834 1.867 0.447 0.374 0.750 0.438 CA 1.248 17 residues pruned to eliminate duplicates Z: 18 19.149 2.037 0.181 0.902 1.000 0.824 CA 1.377 18 residues pruned to eliminate duplicates Z: 19 25.090 2.016 0.607 0.882 0.944 0.778 CB 1.399 19 residues pruned to eliminate duplicates Z: 20 11.877 1.963 0.199 0.405 0.842 0.579 CA 1.518 20 residues pruned to eliminate duplicates Z: 9 12.854 1.901 0.628 0.777 0.875 0.625 CB 1.314 9 residues pruned to eliminate duplicates Z: 11 19.223 2.236 1.007 0.534 0.900 0.500 CA 1.456 18 residues pruned to eliminate duplicates Z: 17 9.262 1.819 0.284 0.488 0.875 0.562 CB 1.146 13 residues pruned to eliminate duplicates Z: 13 10.030 2.009 0.279 0.529 0.750 0.583 CA 1.460 13 residues pruned to eliminate duplicates Z: 9 3.942 1.596 0.457 0.368 0.750 0.375 CB 0.921 Z: 6 8.361 1.835 0.687 0.862 0.800 0.600 CA 1.109 5 residues pruned to eliminate duplicates Z: 21 23.637 2.053 0.514 0.610 0.950 0.700 CB 1.613 21 residues pruned to eliminate duplicates Z: 10 8.475 1.914 0.327 0.825 0.889 0.778 CA 0.944 10 residues pruned to eliminate duplicates Z: 7 3.961 1.375 0.356 0.370 1.000 0.500 C 0.997 Z: 9 7.259 1.729 0.349 0.396 0.875 0.375 CA 1.403 9 residues pruned to eliminate duplicates Z: 12 10.993 1.923 0.409 0.525 0.818 0.545 CB 1.459 12 residues pruned to eliminate duplicates Z: 8 2.800 1.680 -0.126 0.553 1.000 0.571 CB 0.685 8 residues pruned to eliminate duplicates Z: 16 9.203 1.889 0.250 0.347 0.933 0.333 CB 1.273 16 residues pruned to eliminate duplicates Z: 6 6.133 1.679 0.377 0.681 1.000 0.800 CA 1.005 6 residues pruned to eliminate duplicates Z: 8 8.414 1.980 0.261 0.562 1.000 0.857 CA 1.199 8 residues pruned to eliminate duplicates Z: 10 15.306 1.950 0.719 0.804 0.889 0.667 CA 1.313 10 residues pruned to eliminate duplicates Z: 7 3.191 1.638 -0.336 0.506 0.833 0.667 O 1.429 Z: 25 32.436 2.168 0.759 0.673 0.958 0.583 CA 1.545 25 residues pruned to eliminate duplicates Z: 11 3.219 1.795 0.104 0.325 0.700 0.300 CA 0.889 11 residues pruned to eliminate duplicates Z: 17 22.105 2.136 0.321 0.920 0.938 0.938 CA 1.471 17 residues pruned to eliminate duplicates Z: 17 6.985 1.586 0.298 0.404 0.875 0.750 CB 1.072 17 residues pruned to eliminate duplicates Z: 11 8.678 1.905 0.172 0.469 0.900 0.600 CB 1.410 8 residues pruned to eliminate duplicates Z: 7 2.922 1.848 0.178 0.265 0.667 0.333 CB 1.074 Z: 15 7.632 1.796 0.367 0.383 0.714 0.357 CA 1.318 15 residues pruned to eliminate duplicates Z: 29 18.473 2.074 0.449 0.455 0.893 0.536 CB 1.363 29 residues pruned to eliminate duplicates Z: 10 10.645 1.810 0.055 0.865 1.000 0.444 CA 1.360 10 residues pruned to eliminate duplicates Z: 15 9.371 1.811 0.137 0.426 0.857 0.429 CB 1.533 10 residues pruned to eliminate duplicates Z: 21 22.002 2.050 0.475 0.599 0.950 0.600 CB 1.558 21 residues pruned to eliminate duplicates Z: 13 6.701 1.928 0.312 0.337 0.833 0.333 CB 1.096 13 residues pruned to eliminate duplicates Z: 11 7.776 1.925 0.262 0.466 1.000 0.400 CA 1.047 11 residues pruned to eliminate duplicates Z: 11 15.102 2.077 0.216 0.892 1.000 0.900 CB 1.359 11 residues pruned to eliminate duplicates Z: 8 5.641 1.598 0.249 0.612 0.857 0.571 CA 1.120 8 residues pruned to eliminate duplicates Z: 10 11.918 1.967 0.472 0.542 1.000 0.556 CB 1.316 10 residues pruned to eliminate duplicates Z: 59 43.937 2.194 0.659 0.544 0.914 0.569 CB 1.661 59 residues pruned to eliminate duplicates Z: 31 25.733 2.106 0.581 0.550 0.867 0.533 CA 1.550 31 residues pruned to eliminate duplicates Z: 33 17.533 1.910 0.591 0.384 0.906 0.469 CB 1.274 33 residues pruned to eliminate duplicates Z: 11 9.913 1.906 0.354 0.476 0.900 0.500 CA 1.383 11 residues pruned to eliminate duplicates Z: 11 7.982 2.130 0.502 0.400 0.700 0.500 CB 1.252 11 residues pruned to eliminate duplicates Z: 9 5.814 1.630 0.738 0.197 0.875 0.375 CB 1.190 9 residues pruned to eliminate duplicates Z: 6 2.442 1.553 0.167 0.342 0.800 0.400 CB 0.895 6 residues pruned to eliminate duplicates Z: 27 26.578 2.113 0.724 0.557 0.923 0.577 CA 1.466 27 residues pruned to eliminate duplicates Z: 27 24.577 2.087 0.445 0.566 0.923 0.654 CB 1.623 27 residues pruned to eliminate duplicates Z: 12 7.481 1.821 0.056 0.496 0.909 0.636 CB 1.295 10 residues pruned to eliminate duplicates Z: 7 8.069 1.914 0.385 0.743 1.000 0.833 CB 0.999 7 residues pruned to eliminate duplicates Z: 12 6.920 1.846 0.617 0.398 0.727 0.364 CB 1.070 12 residues pruned to eliminate duplicates Z: 11 10.421 1.859 0.624 0.469 1.000 0.600 CB 1.126 12 residues pruned to eliminate duplicates Z: 8 4.053 1.462 -0.084 0.644 0.857 0.714 C 1.166 8 residues pruned to eliminate duplicates Z: 9 3.567 1.638 -0.054 0.432 0.875 0.625 CA 0.997 9 residues pruned to eliminate duplicates Z: 9 11.312 2.014 0.353 0.523 1.000 0.750 CB 1.435 9 residues pruned to eliminate duplicates Z: 11 6.364 1.796 0.402 0.382 0.800 0.700 CA 1.132 11 residues pruned to eliminate duplicates Z: 21 14.378 1.867 0.533 0.481 0.850 0.450 CB 1.347 21 residues pruned to eliminate duplicates Z: 37 22.493 1.941 0.674 0.514 0.889 0.611 CB 1.280 37 residues pruned to eliminate duplicates Z: 7 6.747 1.920 -0.118 0.753 1.000 0.833 CB 1.298 7 residues pruned to eliminate duplicates Z: 11 6.678 1.653 0.529 0.488 0.800 0.700 N 1.057 11 residues pruned to eliminate duplicates Z: 39 19.566 1.987 0.305 0.439 0.868 0.500 CB 1.502 40 residues pruned to eliminate duplicates Z: 17 27.627 2.036 0.582 0.849 0.938 0.250 CA 1.695 17 residues pruned to eliminate duplicates Z: 16 10.933 1.882 0.288 0.515 0.933 0.600 CB 1.229 13 residues pruned to eliminate duplicates Z: 11 11.837 2.014 0.276 0.670 0.800 0.600 N 1.556 11 residues pruned to eliminate duplicates Z: 6 2.610 1.537 0.258 0.346 0.600 0.400 CA 1.190 Z: 30 11.630 1.968 0.195 0.314 0.828 0.448 CB 1.363 30 residues pruned to eliminate duplicates Z: 14 9.100 2.113 0.273 0.372 0.692 0.538 CB 1.554 14 residues pruned to eliminate duplicates Z: 24 10.551 1.799 0.248 0.364 0.913 0.652 CB 1.242 24 residues pruned to eliminate duplicates Z: 9 5.844 1.220 0.627 0.846 1.000 0.875 N 0.773 Z: 18 19.464 2.061 0.432 0.575 0.941 0.471 CB 1.581 15 residues pruned to eliminate duplicates Z: 32 13.967 1.928 0.257 0.383 0.903 0.387 CA 1.299 32 residues pruned to eliminate duplicates Z: 11 4.187 1.552 0.341 0.375 0.700 0.500 CB 1.039 10 residues pruned to eliminate duplicates Z: 6 10.509 1.930 1.053 0.421 1.000 0.800 CA 1.289 6 residues pruned to eliminate duplicates Z: 8 14.894 1.964 0.281 0.887 1.000 0.429 CA 1.612 8 residues pruned to eliminate duplicates Z: 10 14.143 1.840 0.360 0.893 1.000 0.667 CB 1.352 10 residues pruned to eliminate duplicates Z: 8 8.787 1.616 0.677 0.651 1.000 0.571 CA 1.065 7 residues pruned to eliminate duplicates Z: 9 9.092 1.873 0.115 0.891 0.875 0.875 CB 1.265 9 residues pruned to eliminate duplicates Z: 7 4.207 1.618 0.344 0.411 0.833 0.667 CA 1.040 Z: 8 6.909 1.583 0.571 0.626 0.714 0.571 C 1.305 8 residues pruned to eliminate duplicates Z: 12 6.001 1.570 0.635 0.324 0.818 0.545 CA 1.046 Z: 18 14.294 1.976 0.832 0.605 0.706 0.353 CA 1.227 18 residues pruned to eliminate duplicates Z: 10 5.690 1.755 0.363 0.382 0.667 0.556 CA 1.348 10 residues pruned to eliminate duplicates Z: 30 31.177 2.060 0.648 0.657 0.931 0.552 CA 1.583 30 residues pruned to eliminate duplicates Z: 8 5.500 1.852 0.628 0.443 0.571 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 19 23.671 1.905 0.634 0.920 1.000 0.444 CB 1.262 19 residues pruned to eliminate duplicates Z: 44 27.423 2.083 0.481 0.514 0.930 0.674 CB 1.437 44 residues pruned to eliminate duplicates Z: 11 5.690 1.749 0.113 0.526 0.900 0.400 CA 1.001 11 residues pruned to eliminate duplicates Z: 16 7.479 1.692 0.143 0.401 0.867 0.467 CB 1.278 16 residues pruned to eliminate duplicates Z: 8 3.369 1.611 0.427 0.396 0.714 0.429 CB 0.865 7 residues pruned to eliminate duplicates Z: 8 4.661 1.607 -0.073 0.715 1.000 0.714 N 0.973 Z: 9 8.805 1.846 0.363 0.828 0.875 0.625 CA 1.065 9 residues pruned to eliminate duplicates Z: 17 15.755 2.088 0.340 0.576 0.875 0.500 CA 1.495 17 residues pruned to eliminate duplicates 6 1.906 1.130 0.705 0.392 0.600 0.400 CB 0.826 ? Z: 59 42.026 2.217 0.570 0.548 0.914 0.603 CB 1.656 59 residues pruned to eliminate duplicates Z: 20 13.717 1.990 0.287 0.462 0.895 0.632 CA 1.426 20 residues pruned to eliminate duplicates Z: 8 4.811 1.782 0.179 0.602 0.857 0.857 CB 0.916 8 residues pruned to eliminate duplicates Z: 22 17.932 2.204 0.632 0.337 0.905 0.619 CA 1.437 22 residues pruned to eliminate duplicates Z: 6 5.308 1.661 0.028 0.774 1.000 0.600 N 1.090 6 residues pruned to eliminate duplicates Z: 16 18.636 2.005 0.524 0.528 0.933 0.600 CA 1.642 16 residues pruned to eliminate duplicates Z: 19 21.845 2.164 0.340 0.654 0.944 0.611 CB 1.630 19 residues pruned to eliminate duplicates Z: 10 6.519 1.765 0.014 0.632 0.889 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 8 4.929 1.751 0.392 0.492 0.857 0.857 CB 0.899 8 residues pruned to eliminate duplicates Z: 8 5.039 1.520 0.325 0.440 0.857 0.429 CB 1.174 Z: 7 6.105 1.921 0.195 0.773 0.833 0.500 CA 1.024 7 residues pruned to eliminate duplicates Z: 17 9.485 1.854 0.413 0.455 0.875 0.562 CB 1.084 17 residues pruned to eliminate duplicates Z: 34 25.236 2.112 0.668 0.515 0.939 0.606 CB 1.309 34 residues pruned to eliminate duplicates Z: 6 2.769 1.669 0.067 0.440 1.000 0.800 CB 0.740 6 residues pruned to eliminate duplicates Z: 9 6.481 1.657 0.508 0.472 1.000 0.750 CA 0.943 9 residues pruned to eliminate duplicates Z: 6 3.410 1.825 0.622 0.290 0.800 0.800 CA 0.816 6 residues pruned to eliminate duplicates Z: 6 2.514 1.441 0.570 0.337 0.600 0.400 CA 0.989 Z: 33 22.475 2.029 0.637 0.555 0.781 0.344 CA 1.451 33 residues pruned to eliminate duplicates Z: 7 4.421 1.690 -0.019 0.684 0.833 0.667 CB 1.104 7 residues pruned to eliminate duplicates Z: 7 6.483 1.428 0.866 0.649 1.000 0.667 CB 0.865 Z: 20 20.342 2.019 0.344 0.671 0.947 0.737 CB 1.550 20 residues pruned to eliminate duplicates Z: 25 14.756 1.825 0.270 0.615 0.875 0.625 CB 1.332 25 residues pruned to eliminate duplicates Z: 28 16.841 1.931 0.461 0.459 0.926 0.444 CA 1.294 28 residues pruned to eliminate duplicates Z: 10 14.624 1.895 0.282 0.863 1.000 0.667 CA 1.472 11 residues pruned to eliminate duplicates Z: 14 7.487 1.639 0.555 0.427 0.846 0.154 CA 1.039 14 residues pruned to eliminate duplicates Z: 32 28.601 2.212 0.579 0.520 0.968 0.613 CB 1.489 32 residues pruned to eliminate duplicates Z: 17 25.283 2.157 0.565 0.811 0.938 0.375 CA 1.525 17 residues pruned to eliminate duplicates Z: 23 14.006 1.897 0.368 0.388 1.000 0.636 CB 1.296 23 residues pruned to eliminate duplicates Z: 32 25.858 2.086 0.742 0.518 0.806 0.484 CA 1.557 32 residues pruned to eliminate duplicates Z: 21 9.903 1.859 0.235 0.272 0.850 0.550 CB 1.470 21 residues pruned to eliminate duplicates Z: 8 4.626 1.546 0.072 0.547 0.857 0.429 CA 1.175 Z: 20 26.533 2.048 0.734 0.909 0.947 0.737 CB 1.284 19 residues pruned to eliminate duplicates Z: 6 6.120 1.667 0.624 0.544 0.800 0.800 CB 1.210 Z: 6 4.852 1.736 0.790 0.369 0.600 0.400 CB 1.339 6 residues pruned to eliminate duplicates Z: 9 7.519 1.870 -0.019 0.633 1.000 0.875 CB 1.279 10 residues pruned to eliminate duplicates Z: 8 6.746 1.526 0.466 0.495 0.857 0.571 CA 1.337 Z: 9 2.417 1.736 0.097 0.096 0.875 0.375 CA 0.860 9 residues pruned to eliminate duplicates Z: 17 6.291 1.518 0.496 0.386 0.812 0.438 CB 0.962 17 residues pruned to eliminate duplicates Z: 18 19.012 2.035 0.283 0.841 1.000 0.706 CB 1.317 18 residues pruned to eliminate duplicates Z: 15 12.856 1.937 0.503 0.373 1.000 0.429 CA 1.352 15 residues pruned to eliminate duplicates Z: 12 8.566 1.858 0.259 0.359 0.818 0.545 CB 1.571 12 residues pruned to eliminate duplicates Z: 31 15.698 1.929 0.388 0.381 0.900 0.567 CA 1.351 31 residues pruned to eliminate duplicates Z: 9 6.312 1.556 0.139 0.831 1.000 0.875 CB 0.946 Z: 6 6.713 1.654 0.391 0.877 1.000 1.000 CB 0.948 6 residues pruned to eliminate duplicates Z: 8 7.400 2.001 0.647 0.587 0.714 0.571 CA 1.094 8 residues pruned to eliminate duplicates Z: 10 9.612 1.867 0.518 0.428 0.778 0.556 CB 1.567 10 residues pruned to eliminate duplicates Z: 6 4.578 1.723 -0.146 0.849 1.000 1.000 CA 1.032 6 residues pruned to eliminate duplicates Z: 8 6.437 1.662 0.062 0.715 0.857 0.714 N 1.324 Z: 17 5.420 1.350 0.360 0.459 0.875 0.625 O 0.879 Z: 9 14.984 2.255 0.160 0.876 1.000 1.000 CB 1.471 9 residues pruned to eliminate duplicates 6 1.848 1.591 0.028 0.492 0.800 0.600 CB 0.637 ? Z: 9 9.166 1.702 0.185 0.766 1.000 0.875 CB 1.269 Z: 10 9.173 1.622 0.467 0.636 0.889 0.667 CB 1.273 10 residues pruned to eliminate duplicates Z: 23 14.737 2.185 0.698 0.237 0.818 0.500 CB 1.405 23 residues pruned to eliminate duplicates Z: 8 14.681 1.984 0.565 0.866 0.857 0.857 CB 1.527 8 residues pruned to eliminate duplicates Z: 6 3.684 1.661 0.464 0.445 0.600 0.400 CB 1.196 Z: 8 2.962 1.495 0.552 0.209 0.571 0.429 CA 1.191 8 residues pruned to eliminate duplicates Z: 8 6.644 1.698 -0.080 0.715 0.857 0.571 N 1.544 8 residues pruned to eliminate duplicates Z: 8 2.365 1.443 0.146 0.171 0.857 0.286 C 0.940 Z: 36 17.559 1.973 0.451 0.402 0.914 0.457 CA 1.257 36 residues pruned to eliminate duplicates Z: 31 16.000 1.959 0.697 0.343 0.833 0.567 CB 1.250 31 residues pruned to eliminate duplicates Z: 45 15.436 1.889 0.371 0.300 0.795 0.432 CB 1.411 50 residues pruned to eliminate duplicates Z: 7 2.359 1.934 0.204 0.284 0.667 0.333 CB 0.791 7 residues pruned to eliminate duplicates 6 1.597 1.593 0.247 0.601 1.000 0.600 CB 0.327 ? Z: 9 3.523 1.822 0.168 0.479 0.875 0.750 CB 0.683 Z: 6 4.791 1.645 0.231 0.437 1.000 0.600 C 1.130 Z: 6 4.456 1.356 0.789 0.417 0.800 0.400 CB 1.120 Z: 11 13.048 1.751 0.894 0.837 1.000 0.600 CB 0.930 11 residues pruned to eliminate duplicates Z: 10 12.477 1.721 0.687 0.732 1.000 0.778 CA 1.162 10 residues pruned to eliminate duplicates Z: 9 14.733 1.973 0.448 0.846 0.875 0.875 CB 1.549 9 residues pruned to eliminate duplicates Z: 26 15.387 1.967 0.442 0.465 0.880 0.440 CA 1.277 26 residues pruned to eliminate duplicates Z: 36 26.751 2.090 0.472 0.587 0.886 0.571 CA 1.527 35 residues pruned to eliminate duplicates Z: 46 26.986 2.093 0.485 0.499 0.911 0.378 CA 1.422 46 residues pruned to eliminate duplicates Z: 23 17.458 2.057 0.449 0.520 1.000 0.636 CB 1.225 23 residues pruned to eliminate duplicates Z: 7 2.370 1.519 0.550 0.239 0.667 0.500 CB 0.834 Z: 21 8.051 1.904 0.207 0.367 0.750 0.400 CA 1.204 21 residues pruned to eliminate duplicates Z: 7 4.177 1.782 -0.217 0.612 1.000 0.667 C 1.098 Z: 7 2.320 1.921 -0.332 0.289 0.833 0.667 CB 1.122 7 residues pruned to eliminate duplicates 6 1.836 1.243 0.151 0.455 0.800 0.600 N 0.751 ? Z: 8 6.743 1.977 -0.205 0.860 0.857 0.286 CB 1.390 8 residues pruned to eliminate duplicates Z: 10 8.677 1.890 0.668 0.336 0.778 0.444 C 1.411 10 residues pruned to eliminate duplicates Z: 28 19.485 2.077 0.474 0.392 0.889 0.556 CA 1.545 28 residues pruned to eliminate duplicates Z: 16 9.256 1.752 0.313 0.443 0.867 0.600 CB 1.271 17 residues pruned to eliminate duplicates Z: 11 8.422 1.790 0.028 0.607 1.000 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 8 17.854 1.990 0.460 0.902 1.000 1.000 CB 1.656 8 residues pruned to eliminate duplicates Z: 19 11.654 1.910 0.420 0.456 0.833 0.556 CB 1.272 19 residues pruned to eliminate duplicates Z: 7 2.902 1.345 0.448 0.259 1.000 0.333 CA 0.801 7 residues pruned to eliminate duplicates 6 1.061 0.950 0.138 0.748 0.800 0.800 CB 0.440 ? Z: 11 8.052 1.918 0.526 0.306 0.800 0.500 CB 1.350 11 residues pruned to eliminate duplicates Z: 10 8.335 2.065 0.466 0.343 0.778 0.444 CB 1.400 10 residues pruned to eliminate duplicates Z: 9 7.554 1.872 0.255 0.639 1.000 0.625 CA 0.998 9 residues pruned to eliminate duplicates 7 1.758 1.195 0.931 0.435 0.667 0.500 CB 0.499 ? 11 1.756 1.435 0.247 0.337 0.600 0.300 CB 0.618 ? Z: 11 11.946 1.756 0.598 0.739 0.800 0.400 CB 1.358 11 residues pruned to eliminate duplicates Z: 18 12.597 1.877 0.430 0.433 0.824 0.647 CA 1.482 18 residues pruned to eliminate duplicates Z: 10 3.340 1.624 0.274 0.185 0.667 0.222 N 1.178 10 residues pruned to eliminate duplicates Z: 11 23.357 2.059 0.676 0.872 1.000 0.800 CB 1.560 11 residues pruned to eliminate duplicates Z: 6 2.033 1.501 0.121 0.410 0.800 0.600 CB 0.742 Z: 7 7.817 1.766 0.863 0.469 0.833 0.500 CB 1.201 Z: 6 3.820 1.339 0.928 0.744 1.000 1.000 O 0.532 Z: 8 7.815 1.645 0.255 0.615 1.000 0.571 C 1.283 Z: 6 2.246 1.388 0.633 0.277 0.800 0.600 CA 0.713 6 residues pruned to eliminate duplicates Z: 10 6.175 1.855 0.245 0.403 0.889 0.444 CA 1.110 10 residues pruned to eliminate duplicates Z: 11 3.955 1.686 0.003 0.459 1.000 0.600 CB 0.771 10 residues pruned to eliminate duplicates Z: 7 8.689 1.907 0.718 0.830 0.500 0.167 CA 1.629 7 residues pruned to eliminate duplicates Z: 14 9.211 1.751 0.289 0.612 0.846 0.769 CB 1.202 14 residues pruned to eliminate duplicates Z: 6 3.519 1.505 0.512 0.312 1.000 0.600 C 0.851 Z: 9 7.302 1.902 0.383 0.637 0.750 0.625 CB 1.151 9 residues pruned to eliminate duplicates Z: 11 7.278 1.584 0.628 0.444 0.900 0.600 CA 1.050 11 residues pruned to eliminate duplicates Z: 29 16.195 1.918 0.317 0.426 0.857 0.571 CA 1.526 29 residues pruned to eliminate duplicates Z: 24 25.372 2.124 0.627 0.607 0.870 0.609 CA 1.590 24 residues pruned to eliminate duplicates Z: 25 15.893 2.066 0.489 0.462 0.875 0.500 CB 1.253 25 residues pruned to eliminate duplicates Z: 9 5.311 1.788 0.384 0.432 0.750 0.625 CB 1.085 9 residues pruned to eliminate duplicates Z: 22 7.714 1.754 0.173 0.331 0.810 0.476 CB 1.217 22 residues pruned to eliminate duplicates Z: 21 18.298 2.188 0.684 0.364 0.900 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 17 9.033 1.669 0.229 0.419 0.938 0.438 CB 1.277 11 residues pruned to eliminate duplicates Z: 12 7.656 1.764 0.521 0.450 0.818 0.727 CB 1.107 12 residues pruned to eliminate duplicates Z: 10 13.628 1.880 0.592 0.775 1.000 0.556 CA 1.191 10 residues pruned to eliminate duplicates Z: 43 31.943 2.093 0.726 0.502 0.881 0.524 CA 1.546 43 residues pruned to eliminate duplicates Z: 40 13.692 1.806 0.395 0.276 0.821 0.462 CA 1.367 40 residues pruned to eliminate duplicates Z: 13 6.907 1.842 0.242 0.535 0.833 0.667 CA 1.011 13 residues pruned to eliminate duplicates Z: 12 5.960 1.573 0.282 0.465 0.909 0.455 CB 1.016 Z: 11 15.251 1.834 0.572 0.540 1.000 0.800 C 1.609 11 residues pruned to eliminate duplicates Z: 10 7.267 1.897 0.642 0.330 0.889 0.556 CB 1.054 10 residues pruned to eliminate duplicates Z: 16 20.366 2.071 0.623 0.562 1.000 0.867 CB 1.473 16 residues pruned to eliminate duplicates Z: 13 15.104 1.966 0.325 0.857 1.000 0.750 CA 1.233 13 residues pruned to eliminate duplicates Z: 7 3.235 1.373 0.278 0.391 0.833 0.333 O 1.014 Z: 8 6.065 1.553 0.529 0.515 1.000 0.714 CA 0.951 15 residues pruned to eliminate duplicates Z: 16 14.533 2.029 0.276 0.622 0.933 0.667 CB 1.383 16 residues pruned to eliminate duplicates Z: 9 5.995 1.707 0.265 0.452 0.875 0.500 CA 1.179 9 residues pruned to eliminate duplicates Z: 14 8.693 1.799 0.283 0.397 0.769 0.692 C 1.514 14 residues pruned to eliminate duplicates Z: 8 2.462 1.297 0.110 0.424 0.857 0.429 CB 0.817 Z: 6 3.022 1.166 0.349 0.778 1.000 0.800 CA 0.672 Z: 16 6.063 1.566 0.248 0.506 0.867 0.600 CB 0.918 Z: 19 11.414 1.792 0.316 0.485 0.944 0.500 CA 1.227 19 residues pruned to eliminate duplicates Z: 9 16.157 1.952 0.807 0.863 1.000 0.750 CA 1.188 9 residues pruned to eliminate duplicates 6 1.618 1.492 0.104 0.100 0.600 0.400 CB 1.220 ? Z: 8 11.775 2.009 0.333 0.842 1.000 1.000 CA 1.238 8 residues pruned to eliminate duplicates Z: 11 3.990 1.683 -0.031 0.563 0.800 0.600 CB 0.910 11 residues pruned to eliminate duplicates Z: 10 8.473 1.444 0.906 0.670 0.889 0.889 CB 0.986 8 residues pruned to eliminate duplicates Z: 9 6.361 1.911 0.011 0.725 1.000 0.750 CB 0.951 14 residues pruned to eliminate duplicates Z: 16 15.240 1.989 0.481 0.498 1.000 0.467 CB 1.339 16 residues pruned to eliminate duplicates Z: 11 3.323 1.543 0.414 0.215 0.700 0.600 N 0.962 11 residues pruned to eliminate duplicates Z: 35 15.472 1.997 0.231 0.445 0.824 0.529 CA 1.387 35 residues pruned to eliminate duplicates Z: 6 6.658 1.832 0.133 0.630 0.800 0.800 N 1.586 6 residues pruned to eliminate duplicates Z: 11 14.957 2.023 0.576 0.567 1.000 0.600 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 4.636 1.869 0.255 0.120 0.800 0.300 CB 1.259 11 residues pruned to eliminate duplicates Z: 6 6.151 1.628 0.437 0.682 1.000 0.400 N 0.994 Z: 12 10.581 1.810 0.383 0.439 0.909 0.545 CA 1.493 12 residues pruned to eliminate duplicates Z: 47 38.360 2.182 0.670 0.535 0.913 0.522 CB 1.643 41 residues pruned to eliminate duplicates Z: 21 12.245 1.948 0.219 0.415 0.850 0.400 CB 1.483 21 residues pruned to eliminate duplicates Z: 27 15.896 1.938 0.592 0.432 0.769 0.615 CA 1.410 27 residues pruned to eliminate duplicates Z: 11 23.510 2.119 0.622 0.921 0.900 0.800 CB 1.690 11 residues pruned to eliminate duplicates Z: 9 5.630 1.796 0.309 0.311 0.750 0.375 CB 1.392 9 residues pruned to eliminate duplicates Z: 15 7.038 1.859 0.133 0.246 0.857 0.571 CA 1.396 15 residues pruned to eliminate duplicates Z: 24 24.411 2.075 0.439 0.581 1.000 0.609 CB 1.577 24 residues pruned to eliminate duplicates Z: 6 2.293 1.510 -0.051 0.537 0.800 0.400 CB 0.863 Z: 6 3.079 1.416 0.201 0.485 0.800 0.600 CB 1.028 Z: 6 3.756 1.256 0.227 0.628 1.000 1.000 O 0.966 Z: 8 3.785 1.364 0.498 0.313 0.857 0.714 CA 1.005 Z: 22 11.760 1.904 0.427 0.411 0.810 0.571 CB 1.281 22 residues pruned to eliminate duplicates Z: 10 13.071 1.801 0.393 0.874 0.889 0.556 CA 1.422 10 residues pruned to eliminate duplicates Z: 16 5.774 1.758 0.064 0.438 0.800 0.667 CB 1.062 16 residues pruned to eliminate duplicates 6 1.476 1.443 0.045 0.402 0.800 0.400 CB 0.607 ? Z: 20 13.989 1.903 0.699 0.646 0.684 0.368 CB 1.266 20 residues pruned to eliminate duplicates Z: 6 2.271 1.291 0.422 0.505 0.800 0.600 CB 0.688 Z: 31 15.062 1.893 0.167 0.571 0.867 0.567 CB 1.341 31 residues pruned to eliminate duplicates Z: 6 4.688 1.578 -0.045 0.677 1.000 0.800 CA 1.182 5 residues pruned to eliminate duplicates 6 1.879 1.318 0.239 0.284 1.000 0.400 CA 0.656 ? 6 0.457 1.326 0.206 0.252 0.600 0.400 CB 0.283 ? Z: 56 35.527 2.119 0.710 0.542 0.873 0.600 CA 1.454 56 residues pruned to eliminate duplicates Z: 10 4.575 1.668 0.052 0.274 0.889 0.222 CB 1.264 10 residues pruned to eliminate duplicates Z: 11 8.774 1.802 0.425 0.431 0.800 0.600 CA 1.451 11 residues pruned to eliminate duplicates Z: 13 16.985 1.822 0.922 0.847 0.833 0.333 CB 1.248 13 residues pruned to eliminate duplicates Z: 6 4.573 1.390 0.129 0.741 1.000 0.600 N 1.050 6 residues pruned to eliminate duplicates Z: 7 3.133 1.382 0.406 0.508 0.833 0.333 CB 0.783 Z: 23 11.540 1.928 0.248 0.332 0.909 0.682 CB 1.353 23 residues pruned to eliminate duplicates Z: 7 9.427 2.143 0.815 0.339 1.000 0.500 CB 1.179 7 residues pruned to eliminate duplicates Z: 7 2.027 1.518 0.176 0.519 0.500 0.500 CA 0.910 Z: 12 7.778 1.968 0.178 0.517 0.818 0.545 CA 1.215 12 residues pruned to eliminate duplicates Z: 14 10.677 1.800 0.434 0.438 0.846 0.462 CA 1.445 14 residues pruned to eliminate duplicates Z: 8 3.127 1.412 -0.014 0.461 0.857 0.714 CB 1.030 Z: 7 5.174 1.693 0.289 0.782 1.000 0.833 N 0.754 5 residues pruned to eliminate duplicates Z: 58 42.230 2.184 0.609 0.562 0.947 0.579 CB 1.582 58 residues pruned to eliminate duplicates Z: 7 3.728 1.486 0.476 0.672 1.000 1.000 CB 0.592 7 residues pruned to eliminate duplicates Z: 6 7.102 1.888 0.341 0.570 1.000 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 9 3.242 1.268 0.314 0.380 0.750 0.625 C 1.042 Z: 9 2.253 1.658 0.318 0.308 0.625 0.375 CB 0.722 Z: 8 7.224 1.577 0.413 0.548 1.000 0.571 CA 1.169 9 residues pruned to eliminate duplicates Z: 11 3.016 1.174 0.281 0.318 0.800 0.300 CA 0.968 Z: 7 4.555 1.517 -0.116 0.504 1.000 0.667 CB 1.381 Z: 7 3.746 1.635 0.070 0.703 0.833 0.833 CB 0.873 Z: 17 7.037 1.601 0.479 0.410 0.750 0.438 CB 1.088 17 residues pruned to eliminate duplicates Z: 9 7.130 1.955 0.558 0.271 0.875 0.500 CB 1.227 9 residues pruned to eliminate duplicates Z: 10 3.792 1.411 0.247 0.419 0.889 0.667 CA 0.880 Z: 19 10.537 2.117 0.320 0.389 0.833 0.500 CA 1.200 19 residues pruned to eliminate duplicates Z: 10 7.994 1.755 0.332 0.457 1.000 0.444 CB 1.191 10 residues pruned to eliminate duplicates 7 1.696 1.253 0.685 0.262 0.667 0.500 N 0.645 ? Z: 8 6.700 1.562 0.125 0.579 1.000 1.000 CB 1.336 Z: 33 11.922 1.862 0.390 0.386 0.844 0.594 CB 1.089 33 residues pruned to eliminate duplicates Z: 6 2.713 1.322 0.173 0.296 1.000 0.400 C 0.982 Z: 6 2.137 1.631 -0.083 0.107 1.000 0.400 CA 1.053 6 residues pruned to eliminate duplicates Z: 18 21.925 2.173 0.620 0.523 0.941 0.706 CA 1.569 18 residues pruned to eliminate duplicates Z: 26 11.275 1.816 0.404 0.266 0.800 0.440 CB 1.444 26 residues pruned to eliminate duplicates Z: 14 5.335 1.679 0.163 0.349 0.769 0.308 N 1.161 14 residues pruned to eliminate duplicates Z: 6 6.274 1.692 0.233 0.689 1.000 0.800 N 1.131 6 residues pruned to eliminate duplicates Z: 10 4.815 1.658 0.346 0.301 0.889 0.556 CA 1.009 10 residues pruned to eliminate duplicates 6 1.245 1.432 -0.115 0.228 0.600 0.200 CB 1.005 ? Z: 6 2.810 1.532 0.066 0.349 0.800 0.600 CB 1.133 6 1.758 1.438 0.141 0.360 0.800 0.400 N 0.697 ? Z: 7 3.414 1.437 0.192 0.394 0.833 0.500 CA 1.093 Z: 11 15.553 1.834 0.692 0.789 0.900 0.600 CA 1.366 11 residues pruned to eliminate duplicates Z: 15 32.486 2.323 0.615 0.910 0.929 0.286 CA 1.767 15 residues pruned to eliminate duplicates Z: 15 7.348 1.948 0.351 0.242 0.857 0.357 CB 1.172 15 residues pruned to eliminate duplicates Z: 15 11.540 2.034 0.091 0.489 1.000 0.500 CA 1.404 17 residues pruned to eliminate duplicates Z: 18 13.167 2.056 0.190 0.437 0.882 0.647 CB 1.578 18 residues pruned to eliminate duplicates 6 1.582 1.151 0.512 0.100 0.800 0.400 CB 0.847 ? Z: 10 14.169 1.758 0.691 0.845 1.000 0.889 CA 1.181 10 residues pruned to eliminate duplicates Z: 18 13.221 1.882 0.295 0.480 0.941 0.647 CB 1.427 18 residues pruned to eliminate duplicates Z: 18 9.572 1.767 0.445 0.403 0.941 0.529 CB 1.069 18 residues pruned to eliminate duplicates Z: 16 10.240 1.912 0.481 0.457 0.800 0.600 CA 1.220 16 residues pruned to eliminate duplicates Z: 10 15.164 1.869 0.566 0.893 1.000 0.778 CA 1.240 10 residues pruned to eliminate duplicates Z: 6 3.633 1.722 0.245 0.400 0.800 0.400 CA 1.053 6 residues pruned to eliminate duplicates Z: 6 2.827 1.289 0.402 0.421 0.800 0.400 CA 0.950 Z: 6 3.777 1.503 0.227 0.459 0.800 0.400 CB 1.193 Z: 8 3.341 1.436 0.767 0.400 0.571 0.429 CB 0.967 Z: 38 26.690 2.071 0.609 0.550 0.892 0.514 CA 1.406 42 residues pruned to eliminate duplicates Z: 6 2.929 1.592 -0.108 0.392 1.000 0.600 CB 1.034 Z: 16 9.515 2.061 0.387 0.350 0.800 0.467 CA 1.265 16 residues pruned to eliminate duplicates Z: 14 15.839 1.880 0.723 0.877 0.846 0.615 CB 1.164 14 residues pruned to eliminate duplicates Z: 9 5.867 1.847 0.489 0.484 0.750 0.750 CB 1.022 9 residues pruned to eliminate duplicates Z: 7 5.561 1.827 0.106 0.702 1.000 0.333 N 0.934 7 residues pruned to eliminate duplicates Z: 14 7.161 1.434 0.617 0.310 0.923 0.308 N 1.145 Using tripeptides from previous cycle as seeds 6 1.924 1.227 0.594 0.384 1.000 0.400 CA 0.498 ? Z: 6 4.074 1.602 0.459 0.349 1.000 0.800 CA 0.918 6 residues pruned to eliminate duplicates Z: 13 8.035 1.915 0.406 0.385 0.750 0.417 CA 1.299 13 residues pruned to eliminate duplicates Z: 21 8.541 1.824 0.196 0.369 0.750 0.350 CA 1.344 21 residues pruned to eliminate duplicates Z: 12 10.513 1.991 0.386 0.395 0.909 0.364 CA 1.411 12 residues pruned to eliminate duplicates Z: 10 10.995 1.886 0.650 0.439 0.889 0.667 CA 1.410 12 residues pruned to eliminate duplicates Z: 6 4.799 1.435 0.729 0.316 1.000 0.600 CA 1.060 6 residues pruned to eliminate duplicates Z: 6 8.481 1.781 0.486 0.485 1.000 1.000 CA 1.454 8 residues pruned to eliminate duplicates Z: 6 4.766 1.500 0.719 0.366 1.000 0.400 CB 0.955 6 residues pruned to eliminate duplicates Z: 14 10.075 1.852 0.440 0.520 0.846 0.462 CB 1.214 14 residues pruned to eliminate duplicates Z: 14 8.171 1.838 0.390 0.465 0.846 0.692 CB 1.087 14 residues pruned to eliminate duplicates Z: 14 9.971 1.897 0.306 0.496 0.923 0.462 CB 1.214 14 residues pruned to eliminate duplicates Z: 9 11.074 2.025 0.074 0.842 0.875 0.500 CA 1.533 9 residues pruned to eliminate duplicates Z: 30 19.942 2.126 0.605 0.465 0.793 0.414 CB 1.418 30 residues pruned to eliminate duplicates Z: 20 15.117 2.062 0.569 0.504 0.789 0.421 CA 1.353 20 residues pruned to eliminate duplicates Z: 32 21.314 2.077 0.719 0.413 0.935 0.516 CB 1.255 32 residues pruned to eliminate duplicates Z: 34 23.126 2.103 0.575 0.525 0.848 0.606 CB 1.397 34 residues pruned to eliminate duplicates Z: 30 25.382 2.140 0.661 0.433 0.966 0.517 CB 1.472 31 residues pruned to eliminate duplicates Z: 9 14.104 2.106 0.280 0.711 0.875 0.625 CB 1.746 9 residues pruned to eliminate duplicates Z: 12 15.197 2.026 0.312 0.685 0.909 0.727 CB 1.600 12 residues pruned to eliminate duplicates Z: 32 21.048 2.122 0.638 0.469 0.806 0.516 CB 1.392 32 residues pruned to eliminate duplicates Z: 19 18.261 2.112 0.550 0.562 0.833 0.500 CB 1.485 19 residues pruned to eliminate duplicates Z: 12 7.637 2.147 0.402 0.292 0.909 0.364 CB 1.063 12 residues pruned to eliminate duplicates Z: 22 17.041 2.214 0.694 0.316 0.857 0.476 CB 1.416 22 residues pruned to eliminate duplicates Z: 26 13.795 2.041 0.622 0.283 0.840 0.440 CB 1.266 26 residues pruned to eliminate duplicates Z: 23 16.453 2.214 0.785 0.279 0.864 0.591 CB 1.319 23 residues pruned to eliminate duplicates Z: 24 18.013 2.112 0.792 0.284 0.913 0.522 CB 1.385 24 residues pruned to eliminate duplicates Z: 25 15.667 2.102 0.645 0.322 0.875 0.583 CB 1.286 25 residues pruned to eliminate duplicates Z: 23 13.059 2.131 0.634 0.256 0.818 0.545 CB 1.292 23 residues pruned to eliminate duplicates Z: 22 19.252 2.189 0.950 0.307 0.905 0.571 CB 1.348 22 residues pruned to eliminate duplicates Z: 20 19.285 2.257 0.647 0.352 0.895 0.474 CA 1.561 20 residues pruned to eliminate duplicates Z: 33 19.928 2.009 0.581 0.460 0.906 0.531 CB 1.275 33 residues pruned to eliminate duplicates Z: 25 13.650 2.097 0.526 0.251 0.875 0.583 CB 1.325 25 residues pruned to eliminate duplicates Z: 30 18.778 2.099 0.751 0.369 0.793 0.379 CA 1.377 30 residues pruned to eliminate duplicates Z: 26 15.953 2.073 0.862 0.227 0.800 0.440 CA 1.421 26 residues pruned to eliminate duplicates Z: 31 20.982 2.127 0.820 0.374 0.800 0.433 CA 1.415 31 residues pruned to eliminate duplicates Z: 31 20.134 2.140 0.749 0.400 0.767 0.533 CB 1.425 31 residues pruned to eliminate duplicates Z: 41 27.623 2.060 0.463 0.480 0.925 0.675 CA 1.599 41 residues pruned to eliminate duplicates Z: 37 27.040 2.127 0.545 0.459 0.861 0.500 CA 1.661 37 residues pruned to eliminate duplicates Z: 40 28.936 2.138 0.556 0.545 0.872 0.667 CA 1.529 40 residues pruned to eliminate duplicates Z: 25 24.840 2.075 0.450 0.599 0.958 0.625 CA 1.600 25 residues pruned to eliminate duplicates Z: 43 29.796 2.170 0.618 0.473 0.929 0.690 CA 1.450 43 residues pruned to eliminate duplicates Z: 50 28.386 2.103 0.600 0.470 0.816 0.510 CA 1.521 50 residues pruned to eliminate duplicates Z: 25 22.221 2.066 0.428 0.583 0.958 0.667 CA 1.481 25 residues pruned to eliminate duplicates Z: 49 31.505 2.113 0.604 0.495 0.917 0.625 CA 1.471 49 residues pruned to eliminate duplicates Z: 92 29.296 2.005 0.472 0.415 0.857 0.429 CA 1.326 112 residues pruned to eliminate duplicates Z: 20 21.256 2.052 0.335 0.822 1.000 0.737 CA 1.346 20 residues pruned to eliminate duplicates Z: 28 26.160 2.085 0.354 0.711 0.963 0.815 CB 1.528 28 residues pruned to eliminate duplicates Z: 24 27.668 2.105 0.588 0.608 0.957 0.565 CB 1.629 24 residues pruned to eliminate duplicates Z: 29 26.530 2.033 0.430 0.650 1.000 0.786 CA 1.500 29 residues pruned to eliminate duplicates Z: 37 25.566 2.083 0.483 0.465 0.917 0.583 CA 1.559 37 residues pruned to eliminate duplicates Z: 24 23.331 2.124 0.476 0.566 0.957 0.696 CB 1.522 24 residues pruned to eliminate duplicates Z: 28 20.379 2.020 0.431 0.514 0.889 0.630 CA 1.506 28 residues pruned to eliminate duplicates Z: 49 30.815 2.087 0.623 0.453 0.917 0.583 CA 1.502 49 residues pruned to eliminate duplicates Z: 27 21.579 2.013 0.542 0.529 0.885 0.500 CB 1.498 27 residues pruned to eliminate duplicates Z: 24 27.049 2.097 0.588 0.604 0.957 0.652 CB 1.603 24 residues pruned to eliminate duplicates Z: 50 24.062 2.021 0.522 0.424 0.816 0.367 CB 1.481 50 residues pruned to eliminate duplicates Z: 27 27.067 2.131 0.401 0.700 0.962 0.615 CB 1.541 27 residues pruned to eliminate duplicates Z: 25 25.011 2.135 0.481 0.699 0.875 0.667 CB 1.538 25 residues pruned to eliminate duplicates Z: 48 30.988 2.140 0.669 0.504 0.894 0.596 CB 1.411 48 residues pruned to eliminate duplicates Z: 57 37.760 2.095 0.647 0.565 0.911 0.554 CB 1.508 57 residues pruned to eliminate duplicates Z: 44 33.078 2.099 0.566 0.571 0.930 0.628 CB 1.540 44 residues pruned to eliminate duplicates Z: 28 30.689 2.052 0.645 0.775 0.963 0.741 CB 1.425 28 residues pruned to eliminate duplicates Z: 28 30.817 2.075 0.605 0.756 0.926 0.704 CB 1.531 28 residues pruned to eliminate duplicates Z: 13 10.304 1.765 0.580 0.429 1.000 0.667 CA 1.148 10 residues pruned to eliminate duplicates Z: 6 2.669 1.785 0.544 0.258 0.800 0.400 CB 0.714 6 residues pruned to eliminate duplicates Z: 9 15.522 1.991 0.944 0.546 1.000 0.625 CA 1.356 12 residues pruned to eliminate duplicates Z: 6 3.352 1.456 0.993 0.201 0.800 0.600 CA 0.921 6 residues pruned to eliminate duplicates Z: 11 7.012 1.872 0.751 0.243 0.900 0.400 CB 1.012 11 residues pruned to eliminate duplicates Z: 12 5.183 1.872 0.451 0.220 0.727 0.364 CB 1.099 12 residues pruned to eliminate duplicates Z: 11 6.303 1.756 0.482 0.397 0.800 0.700 CB 1.067 11 residues pruned to eliminate duplicates Z: 11 5.021 1.945 0.409 0.234 0.700 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 10 6.922 1.558 0.920 0.448 0.778 0.444 CA 1.046 10 residues pruned to eliminate duplicates Z: 15 9.643 1.974 0.510 0.374 0.786 0.571 CB 1.259 15 residues pruned to eliminate duplicates Z: 13 8.548 2.123 0.316 0.345 0.750 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 16 18.916 2.030 0.503 0.592 1.000 0.467 CA 1.465 16 residues pruned to eliminate duplicates Z: 14 12.356 1.911 0.396 0.515 0.923 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 11 11.414 2.135 0.278 0.602 0.900 0.500 CA 1.333 11 residues pruned to eliminate duplicates Z: 16 13.267 2.039 0.379 0.517 0.800 0.533 CA 1.497 16 residues pruned to eliminate duplicates Z: 14 11.877 2.089 0.141 0.540 0.923 0.615 CB 1.439 14 residues pruned to eliminate duplicates Z: 13 11.533 1.974 0.466 0.596 0.833 0.500 CA 1.260 13 residues pruned to eliminate duplicates Z: 12 15.116 2.132 0.470 0.614 0.909 0.636 CA 1.435 12 residues pruned to eliminate duplicates Z: 13 12.834 2.117 0.519 0.543 0.750 0.667 CA 1.473 13 residues pruned to eliminate duplicates Z: 15 12.319 2.059 0.415 0.546 0.786 0.643 CA 1.375 15 residues pruned to eliminate duplicates Z: 16 14.882 2.070 0.395 0.571 0.867 0.600 CA 1.434 16 residues pruned to eliminate duplicates Z: 15 11.277 1.927 0.415 0.540 0.857 0.500 CB 1.241 15 residues pruned to eliminate duplicates Z: 17 13.855 1.970 0.563 0.543 0.938 0.500 CB 1.150 17 residues pruned to eliminate duplicates Z: 16 13.623 2.022 0.438 0.551 0.867 0.600 CB 1.327 16 residues pruned to eliminate duplicates Z: 11 13.224 1.901 0.393 0.658 0.900 0.500 CA 1.516 11 residues pruned to eliminate duplicates Z: 8 17.490 1.987 0.743 0.864 1.000 0.571 CA 1.399 8 residues pruned to eliminate duplicates Z: 13 9.503 1.806 0.523 0.552 0.750 0.250 CA 1.265 13 residues pruned to eliminate duplicates Z: 12 10.678 1.795 0.192 0.739 0.818 0.091 CB 1.484 12 residues pruned to eliminate duplicates Z: 11 14.666 1.904 0.448 0.764 0.900 0.600 N 1.478 10 residues pruned to eliminate duplicates Z: 10 12.116 1.902 0.328 0.821 0.778 0.222 CA 1.556 10 residues pruned to eliminate duplicates Z: 11 9.584 1.916 0.264 0.636 0.800 0.500 CB 1.377 11 residues pruned to eliminate duplicates Z: 14 12.536 1.839 0.440 0.643 0.769 0.385 CB 1.493 14 residues pruned to eliminate duplicates Z: 10 18.336 2.120 0.437 0.749 1.000 0.556 CB 1.606 10 residues pruned to eliminate duplicates Z: 10 18.617 2.125 0.380 0.760 1.000 0.556 CB 1.680 10 residues pruned to eliminate duplicates Z: 7 5.782 1.782 -0.016 0.562 0.833 0.667 CA 1.521 7 residues pruned to eliminate duplicates Z: 11 17.139 2.111 0.468 0.716 0.900 0.500 CB 1.597 11 residues pruned to eliminate duplicates Z: 11 21.603 2.135 0.550 0.758 1.000 0.700 CB 1.642 11 residues pruned to eliminate duplicates Z: 6 6.222 1.800 0.267 0.653 0.800 0.200 CB 1.323 Z: 11 4.965 1.688 0.153 0.380 1.000 0.500 CB 0.916 6 residues pruned to eliminate duplicates Z: 6 4.080 1.908 0.546 0.447 0.600 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 11 4.568 1.822 0.600 0.259 0.700 0.500 CA 0.932 11 residues pruned to eliminate duplicates Z: 10 5.258 1.899 0.650 0.270 0.667 0.333 CA 1.089 10 residues pruned to eliminate duplicates Z: 6 5.620 1.604 0.598 0.387 1.000 0.800 CA 1.106 6 residues pruned to eliminate duplicates Z: 10 10.494 1.998 0.130 0.656 0.889 0.667 N 1.507 10 residues pruned to eliminate duplicates Z: 12 14.025 1.967 0.513 0.577 0.909 0.455 CB 1.451 16 residues pruned to eliminate duplicates Z: 6 3.569 1.459 0.399 0.353 0.800 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 35 18.081 2.064 0.301 0.335 0.882 0.441 CA 1.567 35 residues pruned to eliminate duplicates Z: 31 14.431 2.024 0.347 0.266 0.800 0.267 CB 1.577 31 residues pruned to eliminate duplicates Z: 31 17.925 2.053 0.443 0.328 0.833 0.367 CB 1.601 31 residues pruned to eliminate duplicates Z: 16 9.775 2.089 0.294 0.204 1.000 0.267 CB 1.325 16 residues pruned to eliminate duplicates Z: 7 5.440 2.049 0.307 0.419 0.833 0.000 CB 1.083 7 residues pruned to eliminate duplicates Z: 51 21.823 2.063 0.374 0.356 0.840 0.460 CB 1.514 51 residues pruned to eliminate duplicates Z: 45 22.196 2.064 0.441 0.352 0.886 0.523 CA 1.489 51 residues pruned to eliminate duplicates Z: 6 4.440 1.501 0.720 0.295 0.800 0.600 C 1.208 6 residues pruned to eliminate duplicates Z: 20 14.541 2.071 0.452 0.354 0.842 0.474 CB 1.542 20 residues pruned to eliminate duplicates Z: 34 18.238 2.006 0.423 0.377 0.909 0.545 CB 1.395 30 residues pruned to eliminate duplicates Z: 6 4.920 1.852 0.307 0.473 1.000 1.000 CA 0.935 6 residues pruned to eliminate duplicates Z: 12 8.056 1.983 0.188 0.495 1.000 0.727 CA 1.036 12 residues pruned to eliminate duplicates Z: 12 8.979 1.920 0.394 0.527 0.909 0.636 CA 1.083 12 residues pruned to eliminate duplicates Z: 16 8.357 1.844 0.329 0.404 0.933 0.667 CA 1.044 16 residues pruned to eliminate duplicates Z: 20 7.352 1.926 0.244 0.315 0.789 0.421 CA 1.095 20 residues pruned to eliminate duplicates Z: 12 8.346 1.971 0.430 0.421 0.909 0.727 CA 1.067 12 residues pruned to eliminate duplicates Z: 19 10.181 1.943 0.447 0.365 0.889 0.667 CA 1.110 19 residues pruned to eliminate duplicates Z: 18 9.570 1.948 0.269 0.375 0.882 0.471 CB 1.215 18 residues pruned to eliminate duplicates Z: 21 8.080 1.896 0.283 0.291 0.900 0.400 CA 1.043 21 residues pruned to eliminate duplicates Z: 7 3.606 1.949 0.217 0.266 0.833 0.167 CB 0.973 7 residues pruned to eliminate duplicates Z: 7 4.892 1.853 0.301 0.384 0.833 0.333 CB 1.124 7 residues pruned to eliminate duplicates Z: 29 18.220 2.100 0.450 0.423 0.893 0.536 CA 1.372 29 residues pruned to eliminate duplicates Z: 6 4.671 1.703 0.557 0.453 0.800 0.600 CA 1.034 6 residues pruned to eliminate duplicates Z: 28 13.541 1.997 0.376 0.411 0.852 0.519 CA 1.223 28 residues pruned to eliminate duplicates Z: 22 12.500 2.043 0.290 0.437 0.905 0.619 CA 1.221 22 residues pruned to eliminate duplicates Z: 22 15.506 2.109 0.420 0.443 0.905 0.571 CB 1.324 22 residues pruned to eliminate duplicates Z: 24 15.272 2.075 0.386 0.472 0.870 0.478 CA 1.310 24 residues pruned to eliminate duplicates Z: 24 16.197 2.083 0.332 0.507 0.913 0.522 CB 1.323 23 residues pruned to eliminate duplicates 6 1.837 1.259 0.425 0.315 0.800 0.400 CA 0.703 ? Z: 6 4.794 1.607 0.449 0.386 1.000 1.000 CA 1.040 6 residues pruned to eliminate duplicates Z: 10 6.899 2.073 0.445 0.454 0.667 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 6 2.558 1.895 -0.013 0.157 0.800 0.200 CB 1.164 Z: 6 2.165 1.630 0.346 0.274 0.600 0.200 CB 0.950 6 residues pruned to eliminate duplicates Z: 46 32.539 2.139 0.662 0.487 0.911 0.533 CB 1.516 37 residues pruned to eliminate duplicates Z: 7 2.541 1.602 0.723 0.299 0.500 0.500 CA 0.941 Z: 18 30.816 2.234 0.601 0.847 0.941 0.706 CA 1.648 18 residues pruned to eliminate duplicates Z: 29 32.526 2.120 0.758 0.640 0.929 0.500 CA 1.558 29 residues pruned to eliminate duplicates Z: 29 28.088 2.139 0.593 0.625 0.929 0.679 CA 1.492 29 residues pruned to eliminate duplicates Z: 30 34.200 2.125 0.687 0.652 1.000 0.621 CA 1.537 30 residues pruned to eliminate duplicates Z: 60 40.417 2.103 0.610 0.572 0.932 0.576 CB 1.555 60 residues pruned to eliminate duplicates Z: 27 32.791 2.167 0.730 0.641 0.962 0.577 CA 1.564 27 residues pruned to eliminate duplicates Z: 22 26.485 2.165 0.692 0.648 0.952 0.524 CA 1.443 22 residues pruned to eliminate duplicates Z: 30 32.726 2.086 0.688 0.624 1.000 0.517 CA 1.536 30 residues pruned to eliminate duplicates Z: 23 27.575 2.210 0.672 0.611 0.955 0.591 CA 1.501 23 residues pruned to eliminate duplicates Z: 30 28.256 2.095 0.576 0.589 0.966 0.621 CA 1.512 30 residues pruned to eliminate duplicates Z: 29 33.323 2.172 0.620 0.615 0.964 0.714 CA 1.665 29 residues pruned to eliminate duplicates Z: 61 41.802 2.157 0.641 0.550 0.950 0.600 CB 1.528 61 residues pruned to eliminate duplicates Z: 29 23.662 2.117 0.496 0.595 0.893 0.464 CA 1.444 29 residues pruned to eliminate duplicates Z: 25 31.490 2.159 0.742 0.664 0.917 0.542 CA 1.602 25 residues pruned to eliminate duplicates Z: 29 24.933 2.121 0.569 0.603 0.893 0.643 CA 1.437 29 residues pruned to eliminate duplicates Z: 25 29.566 2.175 0.584 0.652 0.917 0.583 CA 1.659 25 residues pruned to eliminate duplicates Z: 61 44.976 2.160 0.589 0.571 0.967 0.533 CB 1.634 61 residues pruned to eliminate duplicates Z: 57 43.761 2.230 0.565 0.546 0.964 0.589 CB 1.662 64 residues pruned to eliminate duplicates Z: 14 15.948 1.943 0.431 0.672 0.923 0.692 CB 1.470 14 residues pruned to eliminate duplicates Z: 63 45.594 2.159 0.691 0.536 0.919 0.532 CA 1.665 63 residues pruned to eliminate duplicates Z: 58 39.048 2.172 0.590 0.551 0.912 0.544 CB 1.561 58 residues pruned to eliminate duplicates Z: 60 43.269 2.175 0.608 0.539 0.949 0.610 CA 1.634 60 residues pruned to eliminate duplicates Z: 28 30.234 2.136 0.482 0.671 0.926 0.593 CA 1.695 17 residues pruned to eliminate duplicates Z: 59 45.407 2.184 0.677 0.555 0.931 0.586 CB 1.658 59 residues pruned to eliminate duplicates Z: 33 23.745 2.168 0.460 0.503 0.906 0.562 CB 1.459 33 residues pruned to eliminate duplicates Z: 33 25.285 2.204 0.581 0.510 0.875 0.531 CB 1.452 11 residues pruned to eliminate duplicates Z: 12 21.062 2.019 0.696 0.890 1.000 0.727 CA 1.335 12 residues pruned to eliminate duplicates Z: 60 44.914 2.179 0.708 0.523 0.932 0.542 CA 1.647 12 residues pruned to eliminate duplicates Z: 12 21.296 2.197 0.326 0.864 1.000 0.727 CB 1.615 12 residues pruned to eliminate duplicates Z: 20 21.322 2.109 0.425 0.691 0.947 0.579 CB 1.443 20 residues pruned to eliminate duplicates Z: 59 40.252 2.165 0.510 0.556 0.948 0.621 CB 1.614 47 residues pruned to eliminate duplicates Z: 16 18.629 2.112 0.402 0.721 0.933 0.467 CB 1.425 16 residues pruned to eliminate duplicates Z: 59 47.657 2.209 0.653 0.573 0.966 0.534 CB 1.654 59 residues pruned to eliminate duplicates Z: 20 14.544 2.115 0.895 0.333 0.842 0.579 CB 1.187 20 residues pruned to eliminate duplicates Z: 60 46.376 2.184 0.678 0.580 0.915 0.508 CB 1.666 63 residues pruned to eliminate duplicates Z: 7 5.914 1.761 0.359 0.526 0.833 0.333 N 1.179 6 residues pruned to eliminate duplicates Z: 18 9.745 1.900 0.133 0.445 0.882 0.235 CA 1.316 16 residues pruned to eliminate duplicates Z: 9 6.366 2.042 0.248 0.525 0.625 0.375 N 1.380 9 residues pruned to eliminate duplicates Z: 8 8.381 2.025 0.334 0.458 0.857 0.286 N 1.429 10 residues pruned to eliminate duplicates Z: 8 4.539 2.099 0.258 0.437 0.429 0.286 CB 1.619 8 residues pruned to eliminate duplicates Z: 42 16.114 1.951 0.176 0.379 0.854 0.463 CA 1.460 42 residues pruned to eliminate duplicates Z: 18 8.956 1.944 0.136 0.356 0.765 0.353 CA 1.503 18 residues pruned to eliminate duplicates Z: 38 14.582 1.987 0.095 0.353 0.892 0.568 CA 1.448 38 residues pruned to eliminate duplicates Z: 27 10.429 1.844 0.155 0.386 0.808 0.308 CB 1.342 27 residues pruned to eliminate duplicates Z: 8 4.529 1.892 0.028 0.279 1.000 0.714 CA 1.130 8 residues pruned to eliminate duplicates Z: 36 14.307 1.966 0.195 0.338 0.886 0.514 CB 1.387 40 residues pruned to eliminate duplicates Z: 7 2.593 1.436 0.490 0.354 0.667 0.500 CB 0.869 7 residues pruned to eliminate duplicates Z: 32 15.676 1.973 0.229 0.369 0.903 0.548 CB 1.479 32 residues pruned to eliminate duplicates Z: 35 12.456 1.899 0.227 0.297 0.882 0.500 CB 1.303 35 residues pruned to eliminate duplicates Z: 26 13.490 1.909 0.349 0.282 0.880 0.560 CA 1.522 26 residues pruned to eliminate duplicates Z: 31 13.168 2.004 0.213 0.328 0.867 0.633 CB 1.378 31 residues pruned to eliminate duplicates Z: 33 15.738 2.004 0.327 0.322 0.875 0.594 CB 1.454 31 residues pruned to eliminate duplicates Z: 17 11.375 1.996 0.296 0.320 0.938 0.750 CB 1.430 17 residues pruned to eliminate duplicates Z: 39 14.537 1.900 0.336 0.307 0.842 0.395 CA 1.367 36 residues pruned to eliminate duplicates Z: 28 15.624 1.928 0.360 0.359 0.889 0.630 CA 1.503 28 residues pruned to eliminate duplicates Z: 34 13.659 1.951 0.233 0.310 0.879 0.606 CB 1.389 34 residues pruned to eliminate duplicates Z: 27 14.070 1.990 0.361 0.330 0.885 0.615 CB 1.387 29 residues pruned to eliminate duplicates Z: 32 14.030 1.957 0.259 0.311 0.871 0.452 CB 1.448 32 residues pruned to eliminate duplicates Z: 34 16.604 1.973 0.347 0.347 0.909 0.636 CB 1.411 34 residues pruned to eliminate duplicates Z: 36 14.936 1.950 0.308 0.318 0.857 0.543 CB 1.412 36 residues pruned to eliminate duplicates Z: 7 4.238 2.080 0.055 0.459 0.833 0.667 CB 0.987 7 residues pruned to eliminate duplicates Z: 11 4.583 1.889 0.108 0.318 0.800 0.600 CB 1.058 11 residues pruned to eliminate duplicates Z: 8 4.340 2.048 0.325 0.325 0.714 0.571 CB 1.026 8 residues pruned to eliminate duplicates Z: 33 13.210 2.006 0.295 0.330 0.812 0.594 CB 1.333 33 residues pruned to eliminate duplicates Z: 36 14.023 1.978 0.199 0.347 0.857 0.571 CB 1.377 36 residues pruned to eliminate duplicates Z: 11 6.084 1.885 0.402 0.333 0.800 0.400 CA 1.092 10 residues pruned to eliminate duplicates Z: 42 14.810 1.857 0.198 0.332 0.902 0.512 CA 1.384 42 residues pruned to eliminate duplicates Z: 21 14.927 1.991 0.511 0.617 0.800 0.450 CA 1.241 16 residues pruned to eliminate duplicates Z: 11 14.040 1.884 0.737 0.779 0.900 0.200 CA 1.178 11 residues pruned to eliminate duplicates Z: 20 14.732 1.968 0.470 0.666 0.789 0.316 CA 1.269 20 residues pruned to eliminate duplicates Z: 60 32.230 2.049 0.573 0.598 0.831 0.525 CB 1.427 28 residues pruned to eliminate duplicates Z: 7 4.679 1.441 0.692 0.392 0.833 0.667 CB 1.054 Z: 6 5.585 1.636 0.478 0.569 0.800 0.400 CA 1.208 Z: 6 2.120 1.597 0.279 0.166 0.800 0.200 CA 0.871 Z: 41 30.566 2.149 0.457 0.574 0.900 0.675 CA 1.597 32 residues pruned to eliminate duplicates Z: 6 8.340 1.452 1.186 0.544 1.000 0.600 CA 1.125 6 residues pruned to eliminate duplicates Z: 61 37.329 2.092 0.634 0.603 0.867 0.550 CB 1.474 61 residues pruned to eliminate duplicates Z: 38 26.977 2.044 0.707 0.534 0.892 0.703 CB 1.378 38 residues pruned to eliminate duplicates Z: 61 36.904 2.089 0.611 0.579 0.867 0.583 CB 1.515 61 residues pruned to eliminate duplicates Z: 51 29.395 2.086 0.498 0.540 0.860 0.560 CB 1.488 51 residues pruned to eliminate duplicates Z: 42 31.775 2.157 0.503 0.585 0.902 0.610 CB 1.562 42 residues pruned to eliminate duplicates Z: 59 33.232 2.093 0.447 0.593 0.879 0.638 CA 1.500 21 residues pruned to eliminate duplicates Z: 6 2.648 1.363 0.704 0.100 0.800 0.400 C 1.062 6 residues pruned to eliminate duplicates Z: 41 26.111 2.153 0.543 0.485 0.850 0.550 CA 1.485 41 residues pruned to eliminate duplicates Z: 28 19.017 2.011 0.616 0.523 0.852 0.630 CB 1.291 28 residues pruned to eliminate duplicates Z: 45 26.794 2.101 0.474 0.520 0.841 0.568 CB 1.521 44 residues pruned to eliminate duplicates Z: 18 16.176 2.111 0.118 0.800 0.882 0.706 CB 1.448 18 residues pruned to eliminate duplicates Z: 32 25.759 2.046 0.528 0.606 0.935 0.581 CB 1.430 32 residues pruned to eliminate duplicates Z: 36 22.708 1.984 0.368 0.590 0.914 0.657 CA 1.419 36 residues pruned to eliminate duplicates Z: 35 23.600 2.035 0.358 0.566 0.882 0.588 CB 1.557 35 residues pruned to eliminate duplicates Z: 29 25.865 2.097 0.421 0.675 0.893 0.643 CA 1.563 29 residues pruned to eliminate duplicates Z: 28 31.220 2.150 0.641 0.706 0.963 0.593 CB 1.466 28 residues pruned to eliminate duplicates Z: 32 24.988 2.058 0.502 0.642 0.903 0.613 CB 1.407 32 residues pruned to eliminate duplicates Z: 28 27.545 2.114 0.513 0.694 0.926 0.667 CB 1.499 28 residues pruned to eliminate duplicates Z: 43 30.861 2.111 0.512 0.573 0.881 0.571 CB 1.578 43 residues pruned to eliminate duplicates Z: 48 30.330 2.075 0.492 0.578 0.894 0.553 CB 1.484 48 residues pruned to eliminate duplicates Z: 17 21.564 2.134 0.288 0.871 0.938 0.625 CB 1.526 17 residues pruned to eliminate duplicates Z: 60 40.069 2.102 0.655 0.615 0.898 0.593 CB 1.496 60 residues pruned to eliminate duplicates Z: 29 27.690 2.082 0.608 0.673 0.893 0.679 CB 1.493 29 residues pruned to eliminate duplicates Z: 43 33.844 2.094 0.627 0.603 0.905 0.595 CB 1.536 43 residues pruned to eliminate duplicates Z: 31 25.470 2.097 0.505 0.651 0.833 0.600 CB 1.536 31 residues pruned to eliminate duplicates Z: 43 31.186 2.031 0.564 0.660 0.905 0.476 CB 1.444 43 residues pruned to eliminate duplicates Z: 21 20.635 2.087 0.470 0.683 0.900 0.550 CB 1.412 21 residues pruned to eliminate duplicates Z: 59 34.013 2.070 0.540 0.634 0.862 0.483 CB 1.434 59 residues pruned to eliminate duplicates Z: 51 27.752 2.030 0.448 0.594 0.820 0.480 CB 1.489 51 residues pruned to eliminate duplicates Z: 44 32.407 1.984 0.649 0.644 0.907 0.349 CB 1.455 44 residues pruned to eliminate duplicates Z: 8 7.180 1.744 0.481 0.459 1.000 0.429 CB 1.096 Z: 62 37.158 2.106 0.513 0.603 0.902 0.557 CA 1.501 62 residues pruned to eliminate duplicates Z: 21 22.583 1.962 0.817 0.629 0.900 0.250 CB 1.393 29 residues pruned to eliminate duplicates Z: 23 16.129 1.910 0.646 0.529 0.909 0.364 CA 1.170 23 residues pruned to eliminate duplicates Z: 21 20.221 1.929 0.782 0.657 0.900 0.400 CA 1.263 21 residues pruned to eliminate duplicates Z: 20 17.804 1.897 0.820 0.586 0.947 0.368 CA 1.151 20 residues pruned to eliminate duplicates Z: 62 33.457 1.989 0.649 0.586 0.836 0.475 CA 1.438 62 residues pruned to eliminate duplicates Z: 18 13.462 1.855 0.507 0.442 0.941 0.529 CB 1.317 Z: 8 5.910 1.491 0.827 0.459 0.857 0.286 CB 0.997 8 residues pruned to eliminate duplicates Z: 12 11.602 1.950 0.230 0.540 0.909 0.636 N 1.543 12 residues pruned to eliminate duplicates Z: 17 13.690 1.917 0.478 0.437 0.875 0.625 CB 1.474 16 residues pruned to eliminate duplicates Z: 6 2.878 1.572 0.083 0.312 0.800 0.600 CA 1.164 6 residues pruned to eliminate duplicates Z: 29 13.787 1.910 0.427 0.352 0.821 0.429 CB 1.366 48 residues pruned to eliminate duplicates Z: 19 12.791 1.868 0.429 0.433 0.889 0.556 CB 1.361 Z: 26 11.821 1.789 0.592 0.346 0.760 0.560 CA 1.291 45 residues pruned to eliminate duplicates Z: 23 11.265 1.826 0.521 0.342 0.818 0.364 CB 1.255 Z: 6 3.119 1.665 0.132 0.317 0.800 0.600 CA 1.132 Z: 6 3.427 1.500 0.452 0.323 1.000 0.600 CB 0.855 6 residues pruned to eliminate duplicates Z: 36 17.867 1.991 0.467 0.420 0.857 0.486 CA 1.310 36 residues pruned to eliminate duplicates Z: 42 18.689 1.992 0.466 0.429 0.878 0.488 CA 1.226 42 residues pruned to eliminate duplicates Z: 25 13.299 1.962 0.430 0.325 0.917 0.542 CA 1.280 25 residues pruned to eliminate duplicates Z: 17 13.053 2.072 0.417 0.394 0.875 0.625 CA 1.422 17 residues pruned to eliminate duplicates Z: 23 12.674 2.036 0.284 0.349 0.864 0.545 CA 1.409 23 residues pruned to eliminate duplicates Z: 19 9.243 1.912 0.206 0.376 0.833 0.444 CA 1.294 19 residues pruned to eliminate duplicates Z: 38 18.261 1.965 0.490 0.438 0.892 0.405 CA 1.225 38 residues pruned to eliminate duplicates Z: 43 15.557 1.940 0.384 0.400 0.810 0.476 CA 1.228 43 residues pruned to eliminate duplicates Z: 30 15.678 1.901 0.377 0.355 0.931 0.483 CB 1.397 30 residues pruned to eliminate duplicates Z: 19 15.190 1.950 0.440 0.434 0.944 0.556 CA 1.445 19 residues pruned to eliminate duplicates Z: 48 18.596 1.909 0.430 0.379 0.851 0.553 CA 1.329 48 residues pruned to eliminate duplicates Z: 46 15.515 1.885 0.439 0.333 0.911 0.444 CA 1.122 46 residues pruned to eliminate duplicates Z: 36 18.989 1.999 0.443 0.385 0.914 0.457 CA 1.376 36 residues pruned to eliminate duplicates Z: 28 17.545 2.052 0.471 0.444 0.889 0.519 CA 1.332 28 residues pruned to eliminate duplicates Z: 30 14.258 1.965 0.384 0.364 0.862 0.655 CA 1.308 30 residues pruned to eliminate duplicates Z: 44 17.071 1.926 0.370 0.414 0.884 0.535 CA 1.221 44 residues pruned to eliminate duplicates Z: 27 13.792 1.982 0.461 0.400 0.808 0.462 CA 1.285 27 residues pruned to eliminate duplicates Z: 36 20.012 2.018 0.471 0.427 0.886 0.400 CA 1.388 36 residues pruned to eliminate duplicates Z: 24 12.262 2.007 0.343 0.295 0.870 0.348 CB 1.372 24 residues pruned to eliminate duplicates Z: 34 19.361 2.057 0.430 0.405 0.909 0.545 CA 1.392 34 residues pruned to eliminate duplicates Z: 12 10.944 1.982 0.316 0.596 0.909 0.455 CA 1.270 12 residues pruned to eliminate duplicates Z: 41 19.024 2.004 0.349 0.417 0.900 0.475 CA 1.347 41 residues pruned to eliminate duplicates Z: 14 7.521 1.869 0.341 0.434 0.692 0.231 CA 1.286 14 residues pruned to eliminate duplicates Z: 14 7.979 1.823 0.290 0.553 0.846 0.308 CB 1.056 14 residues pruned to eliminate duplicates Z: 9 10.925 2.066 0.493 0.629 0.875 0.250 CA 1.267 9 residues pruned to eliminate duplicates Z: 12 9.743 1.752 0.518 0.676 0.909 0.364 CA 1.033 12 residues pruned to eliminate duplicates Z: 13 15.272 1.940 0.573 0.541 1.000 0.417 CA 1.389 13 residues pruned to eliminate duplicates Z: 11 9.812 1.874 0.519 0.591 0.900 0.400 CA 1.110 11 residues pruned to eliminate duplicates Z: 10 11.819 1.793 0.618 0.737 0.778 0.444 CA 1.411 10 residues pruned to eliminate duplicates Z: 21 22.314 2.018 0.614 0.677 0.850 0.300 CB 1.532 21 residues pruned to eliminate duplicates Z: 45 29.143 2.137 0.563 0.501 0.886 0.455 CA 1.483 45 residues pruned to eliminate duplicates Z: 32 25.247 2.077 0.603 0.569 0.839 0.290 CA 1.518 32 residues pruned to eliminate duplicates Z: 42 24.117 2.088 0.580 0.443 0.854 0.463 CA 1.418 42 residues pruned to eliminate duplicates Z: 21 17.452 2.057 0.725 0.620 0.750 0.450 CA 1.309 21 residues pruned to eliminate duplicates Z: 18 20.400 2.110 0.636 0.605 0.765 0.471 CA 1.695 18 residues pruned to eliminate duplicates Z: 18 13.270 1.850 0.303 0.535 0.882 0.471 N 1.462 18 residues pruned to eliminate duplicates Z: 23 16.314 2.034 0.464 0.566 0.773 0.455 CB 1.419 23 residues pruned to eliminate duplicates Z: 47 22.838 2.042 0.465 0.469 0.804 0.326 CA 1.444 47 residues pruned to eliminate duplicates Z: 51 25.008 2.042 0.508 0.517 0.780 0.440 CA 1.448 51 residues pruned to eliminate duplicates Z: 37 26.101 2.096 0.748 0.472 0.806 0.528 CA 1.515 37 residues pruned to eliminate duplicates Z: 20 19.794 1.975 0.821 0.611 0.895 0.263 CA 1.271 20 residues pruned to eliminate duplicates Z: 19 14.849 1.992 0.855 0.678 0.667 0.333 CA 1.205 19 residues pruned to eliminate duplicates Z: 41 23.093 2.081 0.564 0.432 0.800 0.325 CA 1.505 41 residues pruned to eliminate duplicates Z: 18 19.477 2.030 0.681 0.672 0.824 0.235 CA 1.435 18 residues pruned to eliminate duplicates Z: 23 19.379 1.963 0.635 0.515 0.818 0.273 CA 1.549 23 residues pruned to eliminate duplicates Z: 38 23.754 2.101 0.593 0.444 0.838 0.351 CA 1.475 38 residues pruned to eliminate duplicates Z: 40 25.968 2.067 0.584 0.511 0.846 0.410 CA 1.484 40 residues pruned to eliminate duplicates Z: 49 22.548 2.005 0.665 0.434 0.750 0.375 CA 1.392 49 residues pruned to eliminate duplicates Z: 45 27.482 2.104 0.544 0.552 0.795 0.455 CA 1.524 45 residues pruned to eliminate duplicates Z: 41 26.124 2.063 0.613 0.469 0.850 0.375 CA 1.507 41 residues pruned to eliminate duplicates Z: 35 25.969 2.098 0.533 0.484 0.912 0.559 CA 1.542 35 residues pruned to eliminate duplicates Z: 35 23.539 2.065 0.645 0.503 0.853 0.412 CA 1.389 35 residues pruned to eliminate duplicates Z: 37 26.690 2.127 0.625 0.479 0.889 0.528 CA 1.479 37 residues pruned to eliminate duplicates Z: 24 14.737 1.962 0.335 0.440 0.826 0.391 CA 1.511 24 residues pruned to eliminate duplicates Z: 24 18.386 2.142 0.482 0.328 0.913 0.522 CA 1.598 24 residues pruned to eliminate duplicates Z: 38 29.676 2.121 0.542 0.557 0.892 0.541 CA 1.582 38 residues pruned to eliminate duplicates Z: 34 24.293 2.117 0.625 0.469 0.879 0.576 CA 1.443 34 residues pruned to eliminate duplicates Z: 35 27.163 2.129 0.755 0.474 0.853 0.588 CA 1.500 35 residues pruned to eliminate duplicates Z: 33 22.135 2.138 0.570 0.419 0.875 0.469 CA 1.450 33 residues pruned to eliminate duplicates Z: 53 27.312 1.996 0.701 0.531 0.769 0.346 CA 1.406 53 residues pruned to eliminate duplicates Z: 50 30.368 2.073 0.585 0.542 0.878 0.490 CA 1.445 50 residues pruned to eliminate duplicates Z: 38 26.651 2.013 0.652 0.465 0.892 0.486 CA 1.530 38 residues pruned to eliminate duplicates Z: 33 21.366 2.123 0.591 0.431 0.812 0.562 CA 1.478 33 residues pruned to eliminate duplicates Z: 46 30.804 2.113 0.503 0.534 0.933 0.489 CA 1.498 46 residues pruned to eliminate duplicates Z: 36 29.178 2.083 0.640 0.499 0.914 0.514 CA 1.580 36 residues pruned to eliminate duplicates Z: 37 28.616 2.137 0.587 0.543 0.833 0.444 CA 1.618 37 residues pruned to eliminate duplicates Z: 22 16.992 2.080 0.420 0.464 0.952 0.524 CA 1.367 22 residues pruned to eliminate duplicates Z: 28 17.364 2.042 0.628 0.354 0.852 0.444 CA 1.381 28 residues pruned to eliminate duplicates Z: 37 26.716 2.096 0.661 0.505 0.861 0.556 CA 1.478 37 residues pruned to eliminate duplicates Z: 50 30.374 2.074 0.633 0.554 0.816 0.388 CA 1.490 50 residues pruned to eliminate duplicates Z: 25 12.648 1.893 0.413 0.394 0.875 0.500 CB 1.233 20 residues pruned to eliminate duplicates Z: 9 5.422 1.406 0.383 0.455 1.000 0.625 CB 1.032 9 residues pruned to eliminate duplicates Z: 19 13.976 1.990 0.372 0.515 0.889 0.556 CB 1.337 19 residues pruned to eliminate duplicates Z: 15 12.783 1.905 0.616 0.421 0.857 0.429 CB 1.405 15 residues pruned to eliminate duplicates Z: 16 14.015 2.006 0.350 0.489 0.867 0.467 CB 1.558 16 residues pruned to eliminate duplicates Z: 18 15.964 1.986 0.461 0.469 0.941 0.412 CB 1.463 25 residues pruned to eliminate duplicates Z: 7 5.192 1.752 0.624 0.290 0.833 0.500 CA 1.132 7 residues pruned to eliminate duplicates Z: 13 11.704 1.861 0.553 0.470 0.917 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 16 15.516 2.032 0.338 0.496 1.000 0.533 CB 1.480 21 residues pruned to eliminate duplicates Z: 6 3.952 1.439 0.482 0.207 1.000 0.400 O 1.172 6 residues pruned to eliminate duplicates Z: 17 15.413 2.015 0.330 0.507 0.938 0.688 CB 1.522 17 residues pruned to eliminate duplicates Z: 17 17.621 2.041 0.334 0.536 1.000 0.688 CB 1.561 17 residues pruned to eliminate duplicates Z: 6 3.131 1.313 0.342 0.345 1.000 0.200 CA 0.940 6 residues pruned to eliminate duplicates Z: 17 15.800 2.003 0.419 0.507 0.938 0.625 CB 1.473 17 residues pruned to eliminate duplicates Z: 6 2.249 1.356 0.420 0.352 0.800 0.800 CB 0.767 6 residues pruned to eliminate duplicates Z: 40 23.042 1.966 0.398 0.451 0.897 0.590 CA 1.573 42 residues pruned to eliminate duplicates Z: 7 6.363 1.677 1.000 0.209 0.833 0.167 N 1.310 7 residues pruned to eliminate duplicates Z: 13 13.034 1.950 0.563 0.407 0.917 0.583 CB 1.485 13 residues pruned to eliminate duplicates Z: 12 11.390 2.001 0.497 0.373 0.818 0.545 CB 1.606 12 residues pruned to eliminate duplicates Z: 17 12.868 1.896 0.410 0.466 0.875 0.438 CB 1.424 17 residues pruned to eliminate duplicates Z: 37 19.625 2.004 0.401 0.402 0.861 0.528 CA 1.500 37 residues pruned to eliminate duplicates Z: 13 10.784 2.007 0.400 0.409 0.833 0.667 CB 1.463 13 residues pruned to eliminate duplicates Z: 18 11.705 1.824 0.351 0.442 0.941 0.471 CB 1.300 18 residues pruned to eliminate duplicates Z: 25 11.897 1.889 0.169 0.395 0.833 0.333 CA 1.475 25 residues pruned to eliminate duplicates Z: 10 11.383 2.017 0.548 0.449 0.889 0.556 CB 1.440 10 residues pruned to eliminate duplicates Z: 27 12.138 1.973 0.260 0.335 0.769 0.385 CB 1.490 27 residues pruned to eliminate duplicates Z: 36 18.794 2.017 0.336 0.418 0.829 0.457 CA 1.550 36 residues pruned to eliminate duplicates Z: 26 13.554 1.947 0.195 0.446 0.880 0.480 CB 1.399 26 residues pruned to eliminate duplicates Z: 24 11.608 1.937 0.224 0.327 0.826 0.348 CB 1.494 24 residues pruned to eliminate duplicates Z: 41 19.871 1.989 0.301 0.452 0.875 0.575 CA 1.457 41 residues pruned to eliminate duplicates Z: 25 14.727 2.047 0.401 0.380 0.875 0.583 CA 1.362 25 residues pruned to eliminate duplicates Z: 34 19.442 2.050 0.387 0.432 0.848 0.606 CA 1.505 34 residues pruned to eliminate duplicates Z: 23 14.693 2.051 0.400 0.422 0.909 0.682 CA 1.302 23 residues pruned to eliminate duplicates Z: 38 16.399 1.966 0.315 0.385 0.838 0.568 CA 1.407 38 residues pruned to eliminate duplicates Z: 37 17.801 2.042 0.288 0.421 0.833 0.583 CA 1.470 37 residues pruned to eliminate duplicates Z: 23 15.203 2.042 0.504 0.410 0.909 0.591 CA 1.275 23 residues pruned to eliminate duplicates Z: 37 17.846 2.008 0.410 0.419 0.833 0.583 CA 1.372 37 residues pruned to eliminate duplicates Z: 35 18.060 2.017 0.436 0.412 0.824 0.559 CA 1.424 35 residues pruned to eliminate duplicates Z: 23 15.620 2.055 0.389 0.444 0.909 0.773 CA 1.360 23 residues pruned to eliminate duplicates Z: 37 20.405 2.034 0.412 0.417 0.861 0.556 CA 1.499 37 residues pruned to eliminate duplicates Z: 22 11.624 1.906 0.577 0.354 0.810 0.429 CA 1.221 22 residues pruned to eliminate duplicates Z: 43 19.469 1.941 0.459 0.398 0.833 0.524 CA 1.418 43 residues pruned to eliminate duplicates Z: 25 13.995 1.975 0.433 0.394 0.833 0.542 CA 1.354 25 residues pruned to eliminate duplicates Z: 11 4.581 1.910 0.482 0.187 0.600 0.200 CA 1.241 11 residues pruned to eliminate duplicates Z: 21 13.577 2.031 0.264 0.447 0.850 0.600 CA 1.468 21 residues pruned to eliminate duplicates Z: 26 13.403 1.965 0.398 0.425 0.800 0.640 CA 1.318 26 residues pruned to eliminate duplicates Z: 18 7.917 1.927 0.315 0.432 0.706 0.588 CA 1.152 18 residues pruned to eliminate duplicates Z: 25 13.119 2.023 0.519 0.385 0.750 0.542 CA 1.313 25 residues pruned to eliminate duplicates Z: 9 7.320 2.127 0.698 0.253 0.750 0.500 CA 1.270 9 residues pruned to eliminate duplicates Z: 25 12.199 2.075 0.360 0.334 0.792 0.500 CA 1.337 25 residues pruned to eliminate duplicates Z: 14 13.536 1.927 0.523 0.460 0.923 0.615 CB 1.445 10 residues pruned to eliminate duplicates Z: 10 12.672 1.988 0.571 0.561 0.889 0.667 CB 1.434 10 residues pruned to eliminate duplicates Z: 10 8.695 1.955 0.240 0.626 1.000 0.889 CB 1.061 10 residues pruned to eliminate duplicates Z: 11 11.038 1.882 0.918 0.490 0.800 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 11 9.792 1.887 0.543 0.475 0.900 0.600 CB 1.211 11 residues pruned to eliminate duplicates Z: 10 12.439 1.991 0.458 0.561 1.000 0.667 CB 1.346 10 residues pruned to eliminate duplicates 590 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 9 D: 12 E: 13 F: 10 G: 6 H: 13 I: 136 J: 10 K: 9 L: 15 M: 11 N: 11 O: 11 P: 10 Q: 62 R: 58 S: 44 T: 60 U: 7 V: 18 W: 40 X: 12 CC for partial structure against native data = 20.84 % ------------------------------------------------------------------------------ Global autotracing cycle 31 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.397, Connect. = 0.684 for dens.mod. cycle 1 = 0.317, Contrast = 0.457, Connect. = 0.705 for dens.mod. cycle 2 = 0.318, Contrast = 0.554, Connect. = 0.749 for dens.mod. cycle 3 = 0.318, Contrast = 0.555, Connect. = 0.751 for dens.mod. cycle 4 = 0.318, Contrast = 0.569, Connect. = 0.756 for dens.mod. cycle 5 = 0.318, Contrast = 0.572, Connect. = 0.758 for dens.mod. cycle 6 = 0.318, Contrast = 0.579, Connect. = 0.761 for dens.mod. cycle 7 = 0.318, Contrast = 0.581, Connect. = 0.763 for dens.mod. cycle 8 = 0.318, Contrast = 0.585, Connect. = 0.765 for dens.mod. cycle 9 = 0.318, Contrast = 0.586, Connect. = 0.766 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.22 - 3.35 - 2.93 - 2.66 - 2.47 - 2.32 - 2.20 - 2.11 - 2.03 - 1.95 0.705 0.733 0.719 0.671 0.616 0.643 0.639 0.581 0.529 0.509 0.896 0.913 0.906 0.871 0.804 0.833 0.822 0.765 0.702 0.655 N 7099 7113 7067 7192 7066 7283 7367 6641 6937 7041 Estimated mean FOM = 0.635 Pseudo-free CC = 62.77 % Best trace (cycle 2 with CC 27.71%) was saved as ./2ii1-1.9-parrot-mrncs/2ii1-1.9-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.7 - Setup, data input and phasing 53.7 - FFTs and peak-searches 221.2 - Sphere of influence 4.8 - Rest of density modification 0.0 - Alpha-helix search 22380.9 - Tripeptide search 67801.6 - Chain tracing 0.0 - NCS analysis 415.0 - B-value refinement for trace 1.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 20:44:53 Total time: 90882.36 secs + TimeTaking 1538.82