null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:46:53 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: ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.ins Phases from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi Native data from ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.hkl Listing output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.lst Phases output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phs Poly-Ala trace output to ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.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 21 21 21 Allowed origin shift code: 4 52578 Reflections read from file ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.phi 52578 Reflections read from file ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.hkl 52578 Unique data, highest resolution = 2.600 Angstroms Anisotropic scaling: intensities multiplied by -0.000174h^2 -0.000077k^2 +0.000183l^2 +0.000000kl +0.000000hl +0.000000hk 6 Reflections with d > 2.800 and 0 in range 2.800 > d > 2.600 added Density sharpening factor set to 0.00 Fourier grid = 128 x 256 x 41 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.738 = 0.296, Contrast = 0.088, Connect. = 0.531 for dens.mod. cycle 1 = 0.300, Contrast = 0.232, Connect. = 0.582 for dens.mod. cycle 2 = 0.300, Contrast = 0.369, Connect. = 0.663 for dens.mod. cycle 3 = 0.300, Contrast = 0.431, Connect. = 0.688 for dens.mod. cycle 4 = 0.300, Contrast = 0.467, Connect. = 0.701 for dens.mod. cycle 5 = 0.300, Contrast = 0.490, Connect. = 0.710 for dens.mod. cycle 6 = 0.300, Contrast = 0.506, Connect. = 0.716 for dens.mod. cycle 7 = 0.300, Contrast = 0.517, Connect. = 0.720 for dens.mod. cycle 8 = 0.300, Contrast = 0.526, Connect. = 0.724 for dens.mod. cycle 9 = 0.300, Contrast = 0.532, Connect. = 0.726 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4298 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1205 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 24.470 1.863 0.936 0.906 1.000 0.750 CA 1.394 B: 12 24.154 1.897 0.979 0.878 1.000 1.000 CA 1.407 12 residues pruned to eliminate duplicates C: 25 23.893 1.838 1.065 0.521 0.917 0.583 CB 1.373 13 residues pruned to eliminate duplicates D: 11 18.390 1.811 0.677 0.898 1.000 0.800 CA 1.370 E: 12 10.882 1.662 0.726 0.916 0.909 0.909 N 0.889 F: 10 6.938 1.750 0.064 0.913 1.000 0.889 CB 0.880 G: 13 18.243 1.700 0.587 0.915 1.000 0.917 N 1.380 H: 28 21.686 1.831 0.896 0.509 0.926 0.556 CB 1.287 28 residues pruned to eliminate duplicates I: 23 14.397 1.681 0.768 0.544 0.818 0.591 CB 1.209 J: 18 17.729 1.701 0.653 0.926 1.000 0.882 CB 1.073 K: 12 17.902 1.697 0.840 0.879 0.909 0.818 CB 1.379 L: 12 23.036 1.849 0.775 0.917 1.000 0.727 CB 1.493 M: 13 13.948 1.600 0.444 0.850 1.000 0.750 N 1.291 N: 13 9.696 1.549 0.519 0.884 1.000 0.917 CB 0.859 O: 13 24.747 1.783 0.814 0.906 1.000 0.833 N 1.571 23 residues pruned to eliminate duplicates P: 12 18.841 1.689 1.065 0.855 0.909 0.727 CB 1.322 Q: 13 18.826 1.711 0.726 0.904 0.917 0.750 N 1.430 13 residues pruned to eliminate duplicates R: 14 21.115 1.672 0.767 0.904 1.000 0.923 CB 1.412 14 residues pruned to eliminate duplicates S: 12 13.227 1.682 0.747 0.845 1.000 0.818 CB 1.009 T: 7 4.856 1.620 0.691 0.498 1.000 0.667 CB 0.725 U: 14 18.847 1.732 0.706 0.859 1.000 0.846 CA 1.302 14 residues pruned to eliminate duplicates V: 12 14.992 1.724 0.593 0.850 1.000 0.909 CB 1.220 W: 13 21.448 1.746 0.850 0.895 0.917 0.667 N 1.499 X: 12 13.222 1.633 0.806 0.809 0.818 0.636 N 1.262 Y: 12 16.324 1.718 0.634 0.906 1.000 0.909 CB 1.246 12 residues pruned to eliminate duplicates Z: 13 20.170 1.753 0.856 0.921 1.000 0.917 CB 1.260 12 residues pruned to eliminate duplicates Z: 13 18.725 1.758 0.592 0.902 1.000 0.917 CB 1.377 Z: 13 21.681 1.828 0.921 0.845 1.000 0.750 CA 1.325 13 residues pruned to eliminate duplicates Z: 13 20.843 1.760 0.679 0.908 1.000 0.833 CB 1.446 13 residues pruned to eliminate duplicates Z: 13 23.461 1.783 0.722 0.886 1.000 0.917 N 1.593 12 residues pruned to eliminate duplicates Z: 11 5.318 1.596 0.302 0.385 0.900 0.500 CB 1.016 Z: 14 12.747 1.736 0.474 0.904 1.000 0.846 CB 0.984 Z: 13 12.530 1.632 0.482 0.944 1.000 1.000 CB 1.036 Z: 11 13.828 1.649 0.841 0.840 0.900 0.600 CB 1.194 Z: 12 13.893 1.680 1.029 0.841 1.000 0.818 CB 0.916 12 residues pruned to eliminate duplicates Z: 8 11.012 1.779 0.673 0.545 1.000 0.714 CB 1.339 Z: 14 18.131 1.699 0.856 0.915 0.923 0.538 CB 1.220 14 residues pruned to eliminate duplicates Z: 25 22.317 1.719 0.779 0.928 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 13 16.319 1.802 0.382 0.900 1.000 0.833 CB 1.351 Z: 14 10.557 1.644 0.133 0.944 1.000 1.000 CB 1.089 Z: 11 21.499 1.756 1.244 0.883 1.000 1.000 CB 1.247 10 residues pruned to eliminate duplicates Z: 12 20.519 1.790 0.651 0.913 1.000 0.818 CB 1.481 12 residues pruned to eliminate duplicates Z: 12 17.409 1.736 0.821 0.928 1.000 0.818 CB 1.163 Z: 10 5.226 1.606 0.497 0.410 0.778 0.444 CB 1.024 Z: 11 11.206 1.545 0.388 0.881 1.000 0.900 CA 1.196 Z: 25 20.103 1.760 0.792 0.692 0.917 0.542 CB 1.191 12 residues pruned to eliminate duplicates Z: 12 12.770 1.664 0.618 0.817 1.000 0.727 CB 1.087 Z: 15 15.206 1.686 0.619 0.875 0.857 0.571 CB 1.263 15 residues pruned to eliminate duplicates Z: 10 18.798 1.777 0.619 0.890 1.000 0.778 CB 1.568 10 residues pruned to eliminate duplicates 6 1.257 1.704 -0.174 0.464 0.400 0.400 CB 1.036 ? Z: 15 15.752 1.750 0.690 0.878 1.000 0.857 CB 1.033 13 residues pruned to eliminate duplicates Z: 13 16.496 1.676 0.545 0.837 1.000 0.750 CA 1.376 Z: 12 17.422 1.700 0.496 0.912 1.000 0.909 CB 1.463 Z: 11 29.657 1.973 1.149 0.900 1.000 0.900 CA 1.580 11 residues pruned to eliminate duplicates Z: 16 16.284 1.689 0.551 0.843 1.000 0.667 CB 1.194 Z: 10 8.030 1.487 0.936 0.795 1.000 0.778 CB 0.718 Z: 14 14.024 1.667 0.593 0.860 0.923 0.769 CB 1.166 14 residues pruned to eliminate duplicates Z: 12 18.779 1.749 0.552 0.899 1.000 1.000 CB 1.491 12 residues pruned to eliminate duplicates Z: 11 16.182 1.819 0.574 0.833 1.000 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 15 15.465 1.572 0.715 0.890 1.000 0.929 CB 1.103 12 residues pruned to eliminate duplicates Z: 12 19.643 1.646 1.086 0.883 1.000 1.000 N 1.248 11 residues pruned to eliminate duplicates Z: 14 7.206 1.481 0.238 0.813 0.923 0.769 CB 0.899 Z: 13 20.297 1.780 0.594 0.897 1.000 0.917 CB 1.477 13 residues pruned to eliminate duplicates Z: 11 16.348 1.732 0.970 0.886 1.000 0.600 CB 1.093 12 residues pruned to eliminate duplicates Z: 13 18.180 1.614 0.630 0.890 1.000 0.750 O 1.436 13 residues pruned to eliminate duplicates Z: 12 13.392 1.714 0.461 0.798 1.000 0.818 CB 1.242 12 residues pruned to eliminate duplicates Z: 17 11.164 1.621 0.218 0.900 1.000 0.938 CB 1.010 Z: 14 6.482 1.451 0.580 0.356 0.846 0.615 CB 1.083 Z: 6 10.462 1.774 0.557 0.798 1.000 0.600 CB 1.305 6 residues pruned to eliminate duplicates Z: 13 27.197 1.870 0.968 0.889 1.000 0.833 CA 1.536 13 residues pruned to eliminate duplicates Z: 7 4.578 1.527 0.269 0.394 0.833 0.500 N 1.294 Z: 13 8.710 1.571 0.527 0.909 0.917 0.667 CB 0.812 Z: 19 18.045 1.640 0.690 0.944 1.000 1.000 CB 1.062 13 residues pruned to eliminate duplicates Z: 25 18.485 1.675 0.576 0.874 1.000 0.833 CB 1.040 25 residues pruned to eliminate duplicates Z: 12 18.122 1.689 0.737 0.876 1.000 0.818 CB 1.353 12 residues pruned to eliminate duplicates Z: 11 9.620 1.573 0.495 0.902 1.000 0.800 CB 0.922 Z: 7 4.072 1.645 0.624 0.384 0.667 0.667 N 1.056 Z: 9 5.362 1.446 0.550 0.583 0.875 0.500 CB 0.892 Z: 17 12.167 1.692 0.842 0.612 0.875 0.562 CB 1.003 10 residues pruned to eliminate duplicates Z: 14 12.990 1.512 0.727 0.918 1.000 1.000 CB 0.973 Z: 11 13.975 1.613 0.456 0.915 1.000 0.700 CA 1.330 Z: 14 13.145 1.652 0.417 0.906 1.000 0.923 CB 1.108 14 residues pruned to eliminate duplicates Z: 12 18.312 1.758 0.495 0.926 1.000 1.000 O 1.473 12 residues pruned to eliminate duplicates Z: 15 16.276 1.611 0.796 0.778 0.929 0.857 CB 1.267 16 residues pruned to eliminate duplicates Z: 6 7.660 1.733 0.319 0.861 1.000 1.000 CB 1.101 6 residues pruned to eliminate duplicates Z: 20 15.474 1.570 0.612 0.927 1.000 0.895 CB 0.984 20 residues pruned to eliminate duplicates Z: 11 4.259 1.534 0.403 0.328 0.800 0.300 N 0.944 Z: 9 3.469 1.536 0.183 0.293 0.875 0.250 N 0.973 Z: 14 20.278 1.667 0.728 0.873 1.000 0.923 CB 1.422 14 residues pruned to eliminate duplicates Z: 12 23.433 1.798 0.862 0.879 1.000 0.818 CB 1.530 12 residues pruned to eliminate duplicates Z: 14 7.121 1.593 0.437 0.502 0.769 0.462 CB 1.120 Z: 12 15.124 1.700 0.597 0.891 1.000 0.909 CB 1.208 12 residues pruned to eliminate duplicates Z: 10 6.548 1.610 0.435 0.551 0.889 0.667 CB 1.012 7 residues pruned to eliminate duplicates Z: 7 7.583 1.624 0.380 0.769 1.000 0.667 CA 1.088 Z: 14 24.281 1.720 1.133 0.866 1.000 0.846 CA 1.344 14 residues pruned to eliminate duplicates Z: 9 2.189 1.427 0.067 0.307 0.750 0.375 CB 0.839 Z: 13 5.598 1.742 0.460 0.226 0.750 0.500 CB 1.168 Z: 13 16.161 1.664 0.705 0.892 1.000 0.917 N 1.182 11 residues pruned to eliminate duplicates Z: 14 15.719 1.839 0.606 0.899 1.000 0.769 CB 1.055 14 residues pruned to eliminate duplicates Z: 15 6.751 1.652 0.793 0.904 1.000 0.929 CB 0.434 Z: 6 2.592 1.355 0.391 0.297 0.800 0.800 N 0.964 Z: 24 24.628 1.740 0.825 0.943 1.000 0.870 CB 1.121 24 residues pruned to eliminate duplicates Z: 15 13.355 1.657 0.636 0.902 1.000 1.000 CB 0.939 15 residues pruned to eliminate duplicates Z: 18 16.285 1.627 0.643 0.907 1.000 0.824 CB 1.050 18 residues pruned to eliminate duplicates Z: 9 11.476 1.811 0.458 0.888 0.875 0.750 CB 1.266 10 residues pruned to eliminate duplicates Z: 7 6.750 1.606 0.717 0.659 1.000 1.000 CB 0.862 Z: 11 13.672 1.716 0.895 0.894 1.000 0.700 CB 0.954 6 1.254 1.385 0.607 0.610 0.800 0.600 CB 0.284 ? Z: 24 23.518 1.730 0.802 0.911 1.000 0.826 CB 1.115 24 residues pruned to eliminate duplicates Z: 13 10.037 1.819 0.438 0.909 0.917 0.833 CB 0.857 13 residues pruned to eliminate duplicates Z: 28 19.025 1.755 0.744 0.663 0.889 0.407 CB 1.157 26 residues pruned to eliminate duplicates Z: 11 23.607 1.842 1.045 0.905 1.000 1.000 CB 1.411 12 residues pruned to eliminate duplicates Z: 15 12.547 1.589 0.745 0.842 0.929 0.714 CB 0.970 16 residues pruned to eliminate duplicates Z: 13 11.091 1.770 0.714 0.494 0.917 0.417 CB 1.158 11 residues pruned to eliminate duplicates Z: 7 8.598 1.599 0.577 0.779 1.000 0.667 CA 1.088 7 residues pruned to eliminate duplicates Z: 10 15.723 1.805 0.931 0.872 0.778 0.667 CA 1.409 10 residues pruned to eliminate duplicates Z: 11 15.833 1.701 0.527 0.890 1.000 1.000 CA 1.386 12 residues pruned to eliminate duplicates Z: 8 7.009 1.491 0.172 0.810 1.000 0.714 CA 1.158 8 residues pruned to eliminate duplicates Z: 13 8.663 1.745 0.735 0.582 0.917 0.583 CB 0.833 12 residues pruned to eliminate duplicates Z: 12 6.104 1.432 0.779 0.444 0.727 0.545 CB 1.053 Z: 14 15.209 1.768 0.485 0.874 0.923 0.923 CB 1.267 14 residues pruned to eliminate duplicates Z: 17 6.702 1.668 0.393 0.219 0.812 0.562 CB 1.233 9 residues pruned to eliminate duplicates Z: 24 20.180 1.714 0.731 0.903 0.957 0.696 CB 1.057 24 residues pruned to eliminate duplicates Z: 6 7.880 1.670 0.643 0.701 0.800 0.400 N 1.336 6 residues pruned to eliminate duplicates Z: 11 24.025 1.897 1.020 0.801 1.000 0.700 CB 1.524 11 residues pruned to eliminate duplicates Z: 7 4.036 1.446 0.651 0.527 0.667 0.500 CA 1.008 Z: 24 23.810 1.743 0.792 0.920 1.000 0.826 CB 1.119 24 residues pruned to eliminate duplicates Z: 13 12.228 1.650 0.637 0.775 0.917 0.667 CB 1.119 12 residues pruned to eliminate duplicates Z: 11 16.474 1.682 0.725 0.848 1.000 0.800 CA 1.332 10 residues pruned to eliminate duplicates Z: 8 5.107 1.779 0.140 0.621 0.857 0.714 CB 0.991 Z: 13 23.896 1.810 0.752 0.855 1.000 0.750 CA 1.605 13 residues pruned to eliminate duplicates Z: 12 15.291 1.680 0.551 0.897 1.000 0.727 CB 1.266 12 residues pruned to eliminate duplicates Z: 23 13.084 1.653 0.614 0.607 0.818 0.773 CB 1.154 11 residues pruned to eliminate duplicates Z: 20 11.139 1.556 0.492 0.891 0.895 0.789 CB 0.884 Z: 12 17.746 1.656 1.224 0.870 1.000 0.909 CB 1.060 12 residues pruned to eliminate duplicates Z: 12 6.319 1.518 0.487 0.352 1.000 0.545 CB 0.991 Z: 6 7.589 1.595 0.897 0.631 0.800 0.800 CB 1.240 8 residues pruned to eliminate duplicates Z: 13 15.901 1.683 0.443 0.890 1.000 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 7 6.513 1.649 0.680 0.521 0.833 0.500 CB 1.129 Z: 10 15.073 1.504 1.122 0.818 0.889 0.667 CA 1.344 11 residues pruned to eliminate duplicates Z: 6 7.451 1.613 0.236 0.736 1.000 1.000 CA 1.352 5 residues pruned to eliminate duplicates Z: 7 7.039 1.543 0.387 0.788 1.000 0.500 CA 1.043 7 residues pruned to eliminate duplicates Z: 23 11.995 1.633 0.394 0.553 0.909 0.545 CB 1.174 23 residues pruned to eliminate duplicates Z: 9 8.356 1.720 0.622 0.605 0.750 0.625 CB 1.277 9 residues pruned to eliminate duplicates Z: 15 8.727 1.660 0.142 0.564 0.857 0.571 CB 1.349 15 residues pruned to eliminate duplicates Z: 12 18.766 1.746 0.768 0.859 0.909 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 11 10.732 1.499 0.445 0.884 1.000 0.900 CA 1.132 10 residues pruned to eliminate duplicates Z: 28 18.604 1.573 0.950 0.916 0.963 0.444 CB 0.856 Z: 12 15.997 1.653 0.526 0.897 1.000 0.818 CA 1.369 12 residues pruned to eliminate duplicates Z: 6 2.571 1.579 0.267 0.517 0.800 0.400 CB 0.707 Z: 11 9.818 1.632 0.736 0.666 0.900 0.600 CB 1.044 Z: 7 7.382 1.607 0.148 0.869 1.000 0.833 CB 1.193 Z: 7 7.011 1.722 0.951 0.463 0.833 0.667 CB 1.062 Z: 12 16.024 1.703 0.516 0.902 1.000 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 12 12.898 1.642 0.494 0.827 0.909 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 5.623 1.508 0.985 0.389 0.667 0.583 CB 0.915 Z: 7 4.508 1.619 -0.135 0.682 1.000 0.667 CB 1.112 Z: 17 15.812 1.693 0.834 0.571 0.812 0.688 CB 1.464 11 residues pruned to eliminate duplicates Z: 15 16.337 1.721 0.653 0.857 1.000 0.786 CB 1.131 15 residues pruned to eliminate duplicates Z: 10 14.232 1.769 0.366 0.860 1.000 0.889 CA 1.443 10 residues pruned to eliminate duplicates Z: 13 13.039 1.596 0.836 0.774 0.750 0.583 CB 1.344 12 residues pruned to eliminate duplicates Z: 12 11.454 1.618 0.640 0.852 0.909 0.727 CB 1.059 12 residues pruned to eliminate duplicates Z: 27 21.895 1.615 0.847 0.878 1.000 0.577 CB 1.045 27 residues pruned to eliminate duplicates Z: 26 11.584 1.699 0.624 0.433 0.960 0.400 CB 0.937 24 residues pruned to eliminate duplicates Z: 13 9.042 1.493 0.880 0.390 0.833 0.417 CB 1.254 3 residues pruned to eliminate duplicates Z: 6 2.699 1.615 0.121 0.296 0.800 0.400 CB 1.047 Z: 26 9.747 1.587 0.692 0.410 0.800 0.560 CB 0.998 18 residues pruned to eliminate duplicates Z: 8 9.674 1.513 0.608 0.742 1.000 0.429 N 1.210 Z: 12 12.517 1.687 0.425 0.869 0.909 0.818 CA 1.262 12 residues pruned to eliminate duplicates Z: 23 14.285 1.610 0.830 0.713 0.864 0.727 CB 0.986 24 residues pruned to eliminate duplicates Z: 11 15.882 1.733 0.445 0.846 1.000 0.600 CA 1.491 12 residues pruned to eliminate duplicates Z: 14 13.210 1.642 0.317 0.925 1.000 1.000 CB 1.190 14 residues pruned to eliminate duplicates Z: 12 8.626 1.658 0.482 0.645 0.909 0.727 CB 1.017 16 residues pruned to eliminate duplicates Z: 7 8.080 1.440 0.857 0.662 0.833 0.500 CB 1.274 6 residues pruned to eliminate duplicates Z: 15 11.750 1.764 0.385 0.920 1.000 1.000 CB 0.905 16 residues pruned to eliminate duplicates Z: 13 21.053 1.706 0.768 0.910 1.000 0.750 CA 1.429 13 residues pruned to eliminate duplicates Z: 8 5.667 1.468 0.395 0.664 0.714 0.429 CA 1.258 8 residues pruned to eliminate duplicates Z: 25 20.720 1.702 0.640 0.920 1.000 0.917 CB 1.067 25 residues pruned to eliminate duplicates Z: 16 14.968 1.702 0.500 0.884 1.000 0.800 CB 1.094 16 residues pruned to eliminate duplicates Z: 14 11.947 1.527 0.762 0.775 0.923 0.769 CB 1.046 16 residues pruned to eliminate duplicates Z: 22 8.122 1.573 0.549 0.468 0.714 0.571 CB 1.052 14 residues pruned to eliminate duplicates Z: 7 2.993 1.332 0.948 0.319 0.667 0.500 N 0.862 Z: 9 3.936 1.531 0.186 0.284 0.875 0.750 CB 1.118 Z: 12 13.083 1.557 0.520 0.883 1.000 0.818 CB 1.205 12 residues pruned to eliminate duplicates Z: 13 15.526 1.572 0.982 0.913 1.000 0.667 CB 1.018 14 residues pruned to eliminate duplicates Z: 12 6.056 1.585 0.182 0.356 1.000 0.636 CB 1.138 8 residues pruned to eliminate duplicates Z: 14 9.250 1.457 0.308 0.865 1.000 0.923 CB 0.987 Z: 14 20.115 1.684 0.852 0.876 1.000 0.846 CB 1.300 16 residues pruned to eliminate duplicates Z: 10 9.882 1.451 0.350 0.909 1.000 0.889 CA 1.194 7 residues pruned to eliminate duplicates Z: 16 15.908 1.656 0.580 0.902 1.000 0.733 CB 1.120 16 residues pruned to eliminate duplicates Z: 13 16.017 1.732 0.834 0.875 1.000 0.667 CB 1.059 12 residues pruned to eliminate duplicates Z: 26 18.827 1.682 0.783 0.883 1.000 0.720 CB 0.908 26 residues pruned to eliminate duplicates Z: 8 3.316 1.416 0.328 0.550 0.714 0.286 CB 0.889 Z: 11 14.817 1.791 0.410 0.869 1.000 0.700 CA 1.355 11 residues pruned to eliminate duplicates Z: 9 2.637 1.487 0.205 0.365 0.625 0.625 CB 0.962 Z: 11 4.171 1.545 0.465 0.464 0.800 0.400 CB 0.756 Z: 24 22.449 1.725 0.788 0.927 1.000 0.870 CB 1.064 24 residues pruned to eliminate duplicates Z: 9 5.604 1.522 0.718 0.570 1.000 0.750 CB 0.708 Z: 9 6.200 1.608 0.350 0.316 1.000 0.500 CB 1.237 Z: 20 7.173 1.703 0.437 0.287 0.789 0.632 CB 1.082 13 residues pruned to eliminate duplicates Z: 16 16.699 1.690 0.500 0.896 1.000 0.667 CB 1.219 16 residues pruned to eliminate duplicates Z: 11 11.083 1.564 0.453 0.820 0.900 0.800 CB 1.298 Z: 18 16.550 1.726 0.720 0.942 0.941 0.941 CB 0.996 18 residues pruned to eliminate duplicates Z: 18 17.837 1.658 0.958 0.914 1.000 0.882 CB 0.942 18 residues pruned to eliminate duplicates Z: 11 12.483 1.661 0.835 0.765 0.900 0.500 CB 1.138 12 residues pruned to eliminate duplicates Z: 9 3.876 1.516 0.180 0.327 0.875 0.375 CB 1.059 Z: 11 7.742 1.411 0.447 0.765 0.900 0.600 CB 1.053 7 residues pruned to eliminate duplicates Z: 14 15.364 1.689 0.398 0.891 1.000 0.846 CB 1.297 14 residues pruned to eliminate duplicates Z: 16 9.061 1.540 0.414 0.693 0.933 0.733 CB 0.965 Z: 10 15.496 1.629 1.066 0.639 1.000 0.889 CB 1.346 Z: 10 10.713 1.631 0.542 0.641 0.889 0.556 N 1.400 8 residues pruned to eliminate duplicates Z: 11 10.789 1.531 0.387 0.843 1.000 0.600 CB 1.195 12 residues pruned to eliminate duplicates Z: 7 5.946 1.746 0.497 0.574 0.667 0.333 CB 1.297 Z: 9 10.860 1.644 0.459 0.830 0.875 0.875 CB 1.375 9 residues pruned to eliminate duplicates Z: 10 3.309 1.510 0.303 0.154 0.889 0.444 N 0.965 Z: 12 5.420 1.722 0.384 0.258 0.909 0.455 CB 0.995 12 residues pruned to eliminate duplicates Z: 12 9.969 1.496 0.557 0.896 0.818 0.636 CB 1.130 12 residues pruned to eliminate duplicates Z: 9 2.792 1.181 0.341 0.338 0.750 0.500 CB 0.991 Z: 13 19.760 1.785 0.686 0.873 0.917 0.833 CB 1.505 13 residues pruned to eliminate duplicates Z: 12 13.030 1.589 0.792 0.818 0.909 0.636 CA 1.152 12 residues pruned to eliminate duplicates Z: 6 5.457 1.623 0.134 0.697 0.800 0.800 CB 1.384 6 residues pruned to eliminate duplicates Z: 14 9.649 1.583 0.590 0.493 0.923 0.538 CB 1.160 14 residues pruned to eliminate duplicates Z: 18 18.981 1.716 0.937 0.942 0.941 0.941 CB 1.020 18 residues pruned to eliminate duplicates Z: 12 15.166 1.668 0.882 0.841 0.818 0.636 CA 1.327 12 residues pruned to eliminate duplicates Z: 23 11.171 1.521 0.295 0.932 1.000 1.000 CB 0.845 Z: 13 11.049 1.565 0.350 0.910 1.000 0.833 CB 1.071 11 residues pruned to eliminate duplicates Z: 13 8.341 1.375 0.506 0.890 1.000 0.917 CB 0.836 Z: 12 8.030 1.631 0.514 0.804 0.727 0.636 CB 1.034 12 residues pruned to eliminate duplicates Z: 9 5.406 1.391 0.704 0.876 1.000 0.750 CB 0.586 Z: 7 5.575 1.355 0.537 0.700 1.000 0.667 O 0.911 7 residues pruned to eliminate duplicates Z: 6 5.516 1.599 0.188 0.650 0.800 0.400 N 1.412 Z: 11 16.654 1.674 0.740 0.927 1.000 1.000 CB 1.267 11 residues pruned to eliminate duplicates Z: 8 7.097 1.587 0.510 0.804 1.000 0.857 CB 0.859 9 residues pruned to eliminate duplicates Z: 12 14.939 1.708 0.673 0.890 1.000 0.818 CB 1.134 12 residues pruned to eliminate duplicates Z: 13 22.199 1.754 0.721 0.933 1.000 1.000 CB 1.482 13 residues pruned to eliminate duplicates Z: 14 20.592 1.685 0.660 0.854 1.000 0.615 CA 1.508 14 residues pruned to eliminate duplicates Z: 19 15.139 1.714 0.796 0.641 0.889 0.722 CB 1.143 12 residues pruned to eliminate duplicates Z: 11 4.929 1.588 0.164 0.290 1.000 0.400 CB 1.067 11 residues pruned to eliminate duplicates Z: 12 9.434 1.643 0.415 0.809 0.909 0.818 CB 1.028 11 residues pruned to eliminate duplicates Z: 10 19.346 1.780 0.844 0.906 1.000 0.889 CB 1.397 10 residues pruned to eliminate duplicates Z: 11 3.296 1.526 0.366 0.304 0.700 0.400 CB 0.889 11 residues pruned to eliminate duplicates 7 1.423 1.418 1.049 0.162 0.333 0.167 C 0.907 ? Z: 14 13.799 1.567 0.435 0.863 1.000 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 9 2.197 1.407 -0.026 0.181 0.875 0.625 N 0.950 9 residues pruned to eliminate duplicates Z: 8 2.863 1.497 0.291 0.381 0.714 0.429 CB 0.891 6 residues pruned to eliminate duplicates Z: 8 4.408 1.313 0.918 0.856 0.857 0.429 CB 0.569 Z: 25 16.424 1.633 0.474 0.887 1.000 0.708 CB 1.004 25 residues pruned to eliminate duplicates Z: 15 14.940 1.679 0.796 0.911 1.000 0.571 CB 0.939 15 residues pruned to eliminate duplicates Z: 22 9.525 1.605 0.616 0.509 0.905 0.476 CB 0.877 12 residues pruned to eliminate duplicates Z: 16 5.042 1.468 0.217 0.318 0.800 0.267 CB 1.114 10 residues pruned to eliminate duplicates Z: 12 21.135 1.805 0.584 0.911 1.000 1.000 CB 1.580 12 residues pruned to eliminate duplicates Z: 9 2.864 1.427 0.339 0.228 0.750 0.250 CB 0.972 Z: 15 18.308 1.678 0.823 0.910 1.000 0.929 CB 1.134 13 residues pruned to eliminate duplicates Z: 11 24.754 1.822 1.054 0.897 1.000 0.900 CB 1.497 11 residues pruned to eliminate duplicates Z: 11 12.454 1.676 0.979 0.883 1.000 0.800 CB 0.858 11 residues pruned to eliminate duplicates Z: 7 2.789 1.472 0.136 0.374 0.667 0.500 CB 1.168 Z: 22 19.353 1.753 1.005 0.552 0.952 0.619 CB 1.199 33 residues pruned to eliminate duplicates Z: 25 22.677 1.701 0.538 0.930 1.000 0.958 CB 1.237 25 residues pruned to eliminate duplicates Z: 24 19.378 1.713 0.579 0.897 1.000 0.783 CB 1.070 24 residues pruned to eliminate duplicates Z: 15 8.961 1.740 0.580 0.593 0.857 0.643 CB 0.930 15 residues pruned to eliminate duplicates Z: 7 7.807 1.719 0.803 0.709 0.833 0.833 CB 1.020 6 1.877 1.291 0.098 0.286 0.800 0.600 O 0.942 ? Z: 7 2.949 1.445 0.720 0.417 0.833 0.333 CB 0.633 Z: 11 9.488 1.522 0.478 0.875 1.000 0.700 CB 0.970 11 residues pruned to eliminate duplicates Z: 24 15.081 1.657 0.522 0.577 0.913 0.435 CB 1.268 21 residues pruned to eliminate duplicates Z: 8 6.122 1.512 0.364 0.589 0.857 0.429 CA 1.202 Z: 16 9.227 1.585 0.340 0.659 0.867 0.667 CB 1.117 16 residues pruned to eliminate duplicates Z: 12 9.652 1.629 0.411 0.819 0.909 0.455 CB 1.056 12 residues pruned to eliminate duplicates Z: 6 3.245 1.567 -0.051 0.675 0.800 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 11 16.081 1.766 0.550 0.820 1.000 0.900 CA 1.407 11 residues pruned to eliminate duplicates Z: 25 20.961 1.721 0.561 0.933 1.000 0.875 CB 1.111 25 residues pruned to eliminate duplicates Z: 12 22.734 1.804 1.140 0.880 1.000 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 7 5.987 1.774 0.662 0.869 1.000 1.000 CB 0.606 7 1.289 1.507 0.008 0.291 0.667 0.167 CB 0.657 ? Z: 12 11.175 1.799 0.779 0.723 0.909 0.727 CB 0.947 12 residues pruned to eliminate duplicates Z: 13 14.899 1.530 0.838 0.845 1.000 0.917 CA 1.137 13 residues pruned to eliminate duplicates Z: 6 6.589 1.360 0.744 0.663 1.000 0.600 N 1.069 Z: 18 8.228 1.542 0.197 0.887 1.000 0.824 CB 0.779 Z: 17 12.568 1.550 0.590 0.871 0.938 0.750 CB 0.992 17 residues pruned to eliminate duplicates Z: 12 3.672 1.527 0.511 0.278 0.545 0.182 CB 1.130 12 residues pruned to eliminate duplicates Z: 9 6.209 1.535 0.689 0.562 0.875 0.625 CB 0.911 Z: 10 13.399 1.705 0.361 0.915 1.000 1.000 CA 1.360 10 residues pruned to eliminate duplicates Z: 9 2.494 1.405 0.404 0.180 0.625 0.500 CB 1.052 Z: 8 7.219 1.614 0.383 0.858 1.000 1.000 CB 0.900 8 residues pruned to eliminate duplicates Z: 9 6.011 1.611 0.990 0.879 0.875 0.750 CB 0.550 9 residues pruned to eliminate duplicates Z: 11 12.825 1.512 0.675 0.891 1.000 0.900 CB 1.151 Z: 10 9.487 1.519 0.724 0.793 0.889 0.778 CB 1.051 10 residues pruned to eliminate duplicates Z: 6 10.536 1.921 0.491 0.666 1.000 0.800 CB 1.410 6 residues pruned to eliminate duplicates Z: 6 3.057 1.552 0.259 0.512 1.000 0.600 CA 0.691 Z: 18 5.449 1.599 0.341 0.438 0.882 0.588 CB 0.744 18 residues pruned to eliminate duplicates Z: 8 2.304 1.312 -0.041 0.254 0.857 0.286 CB 1.071 Z: 12 11.702 1.597 0.702 0.805 0.909 0.545 CB 1.094 12 residues pruned to eliminate duplicates Z: 17 9.158 1.417 0.871 0.609 0.875 0.500 CB 0.890 17 residues pruned to eliminate duplicates Z: 16 16.729 1.685 0.459 0.894 1.000 0.933 CB 1.261 16 residues pruned to eliminate duplicates Z: 8 6.416 1.590 0.387 0.677 1.000 0.714 CB 0.935 Z: 15 16.088 1.732 0.444 0.905 1.000 1.000 CB 1.224 15 residues pruned to eliminate duplicates Z: 10 18.882 1.822 0.898 0.863 1.000 0.444 CB 1.336 11 residues pruned to eliminate duplicates 6 1.713 1.261 0.082 0.490 0.600 0.600 CB 0.945 ? Z: 10 2.221 1.398 0.319 0.332 0.667 0.556 CB 0.724 10 residues pruned to eliminate duplicates Z: 7 6.640 1.507 0.830 0.813 1.000 0.667 CB 0.749 Z: 18 14.251 1.499 0.680 0.898 1.000 0.706 CB 0.981 19 residues pruned to eliminate duplicates Z: 19 14.438 1.727 0.800 0.530 0.944 0.611 CB 1.126 21 residues pruned to eliminate duplicates Z: 14 12.630 1.587 0.389 0.938 1.000 1.000 CB 1.105 14 residues pruned to eliminate duplicates Z: 10 2.291 1.497 -0.051 0.377 0.889 0.556 CB 0.690 Z: 14 6.348 1.397 0.207 0.708 0.846 0.692 CB 1.022 14 residues pruned to eliminate duplicates Z: 9 7.720 1.641 0.368 0.864 1.000 0.875 CB 0.892 9 residues pruned to eliminate duplicates Z: 11 5.143 1.602 0.879 0.473 0.600 0.400 CB 0.925 11 residues pruned to eliminate duplicates Z: 9 5.638 1.540 0.412 0.842 1.000 0.625 CB 0.683 Z: 9 6.772 1.627 0.488 0.440 0.875 0.625 CB 1.202 10 residues pruned to eliminate duplicates Z: 15 14.720 1.772 0.669 0.848 0.929 0.929 CB 1.063 15 residues pruned to eliminate duplicates Z: 14 15.597 1.757 0.817 0.856 1.000 0.462 CB 0.999 14 residues pruned to eliminate duplicates Z: 12 12.819 1.563 0.686 0.864 1.000 0.545 CB 1.075 12 residues pruned to eliminate duplicates Z: 6 2.091 1.355 0.701 0.296 0.600 0.600 CB 0.849 6 residues pruned to eliminate duplicates Z: 12 9.506 1.590 -0.001 0.870 1.000 0.727 CB 1.318 12 residues pruned to eliminate duplicates Z: 26 11.802 1.566 0.399 0.875 0.960 0.920 CB 0.816 16 residues pruned to eliminate duplicates Z: 10 8.535 1.484 0.534 0.836 1.000 0.667 CB 0.936 10 residues pruned to eliminate duplicates Z: 8 8.082 1.626 0.259 0.820 1.000 0.571 CB 1.130 5 residues pruned to eliminate duplicates Z: 16 12.688 1.663 0.394 0.700 0.933 0.800 CB 1.261 15 residues pruned to eliminate duplicates Z: 14 22.247 1.674 0.787 0.864 1.000 0.846 O 1.511 13 residues pruned to eliminate duplicates Z: 13 19.058 1.709 0.628 0.901 1.000 0.833 O 1.411 13 residues pruned to eliminate duplicates Z: 10 5.432 1.331 0.564 0.503 1.000 0.444 CB 0.867 Z: 8 4.670 1.406 0.415 0.805 1.000 0.857 CB 0.680 9 residues pruned to eliminate duplicates Z: 11 14.550 1.643 0.509 0.875 1.000 0.900 N 1.350 11 residues pruned to eliminate duplicates Z: 12 14.992 1.725 0.869 0.871 0.909 0.727 CB 1.125 12 residues pruned to eliminate duplicates Z: 23 16.662 1.615 0.735 0.895 1.000 0.818 CB 0.909 23 residues pruned to eliminate duplicates Z: 25 15.273 1.675 0.691 0.500 0.917 0.500 CB 1.201 25 residues pruned to eliminate duplicates Z: 8 11.746 1.764 1.056 0.651 1.000 0.571 CB 1.063 6 residues pruned to eliminate duplicates Z: 6 3.578 1.490 0.473 0.487 0.800 0.600 CB 0.924 Z: 9 3.795 1.424 0.680 0.375 0.750 0.625 CB 0.854 Z: 7 4.504 1.591 0.492 0.550 0.833 0.667 CB 0.885 Z: 26 11.061 1.542 0.549 0.489 0.880 0.560 CB 1.064 26 residues pruned to eliminate duplicates Z: 23 15.861 1.697 0.611 0.651 0.909 0.773 CB 1.182 26 residues pruned to eliminate duplicates Z: 39 14.063 1.636 0.648 0.426 0.789 0.553 CB 1.158 53 residues pruned to eliminate duplicates Z: 6 7.749 1.716 0.888 0.830 0.800 0.400 CB 1.006 6 residues pruned to eliminate duplicates Z: 7 6.940 1.588 0.925 0.550 0.833 0.500 CB 1.059 8 residues pruned to eliminate duplicates Z: 12 14.234 1.697 0.343 0.853 1.000 0.818 CA 1.392 12 residues pruned to eliminate duplicates Z: 7 8.627 1.683 0.173 0.863 1.000 1.000 O 1.309 7 residues pruned to eliminate duplicates Z: 8 10.877 1.646 0.478 0.852 1.000 0.857 CB 1.251 8 residues pruned to eliminate duplicates Z: 11 10.607 1.570 0.584 0.892 1.000 0.800 CB 0.969 11 residues pruned to eliminate duplicates Z: 6 2.746 1.551 0.298 0.364 1.000 0.800 CB 0.706 6 residues pruned to eliminate duplicates Z: 7 7.179 1.617 0.682 0.461 1.000 0.667 N 1.122 Z: 8 8.989 1.654 1.087 0.540 1.000 0.714 CB 0.946 8 residues pruned to eliminate duplicates Z: 11 13.983 1.689 0.496 0.895 0.900 0.800 CB 1.393 11 residues pruned to eliminate duplicates Z: 10 5.443 1.606 0.613 0.380 0.889 0.556 CB 0.895 Z: 9 3.397 1.471 0.612 0.244 0.750 0.375 CB 0.907 Z: 10 3.595 1.575 0.497 0.302 0.556 0.333 CB 1.142 Z: 11 19.624 1.796 0.986 0.862 0.900 0.600 CB 1.419 11 residues pruned to eliminate duplicates Z: 22 14.026 1.606 0.697 0.888 1.000 0.857 CB 0.809 21 residues pruned to eliminate duplicates Z: 9 4.077 1.587 0.402 0.341 0.750 0.625 CB 1.027 Z: 10 4.447 1.531 0.184 0.428 0.778 0.667 N 1.133 Z: 11 7.757 1.478 0.710 0.861 0.900 0.800 CB 0.792 Z: 18 10.943 1.530 0.513 0.614 1.000 0.588 CB 1.030 13 residues pruned to eliminate duplicates Z: 12 5.631 1.449 0.276 0.764 0.818 0.545 CB 0.887 Z: 8 2.448 1.422 0.170 0.300 0.714 0.429 CB 0.974 Z: 26 18.762 1.600 0.781 0.938 1.000 0.840 CB 0.916 25 residues pruned to eliminate duplicates Z: 6 3.159 1.606 0.806 0.377 0.600 0.400 N 0.926 6 residues pruned to eliminate duplicates Z: 13 18.211 1.732 1.025 0.896 1.000 0.833 CB 1.073 13 residues pruned to eliminate duplicates Z: 10 9.134 1.509 0.412 0.873 1.000 1.000 CB 1.041 9 residues pruned to eliminate duplicates Z: 6 2.864 1.395 0.395 0.294 0.800 0.600 N 1.036 Z: 7 5.003 1.506 0.899 0.451 0.833 0.500 CB 0.901 7 residues pruned to eliminate duplicates Z: 7 2.162 1.384 0.665 0.373 0.667 0.333 CB 0.658 Z: 15 6.624 1.613 0.290 0.475 0.857 0.571 CB 1.018 15 residues pruned to eliminate duplicates Z: 10 11.841 1.597 1.085 0.492 1.000 0.444 CB 1.194 11 residues pruned to eliminate duplicates Z: 12 7.969 1.468 0.968 0.555 1.000 0.727 CB 0.789 10 residues pruned to eliminate duplicates Z: 6 7.765 1.524 1.117 0.797 0.800 0.600 CB 1.037 6 residues pruned to eliminate duplicates Z: 14 13.755 1.814 0.379 0.902 1.000 0.846 CB 1.088 14 residues pruned to eliminate duplicates Z: 18 17.145 1.685 0.649 0.895 1.000 0.706 CB 1.073 18 residues pruned to eliminate duplicates Z: 8 5.083 1.434 0.663 0.472 0.857 0.429 CB 0.967 Z: 14 9.198 1.471 0.248 0.915 0.923 0.923 CB 1.063 13 residues pruned to eliminate duplicates Z: 10 7.085 1.665 0.518 0.294 0.889 0.444 N 1.323 10 residues pruned to eliminate duplicates Z: 13 12.827 1.600 0.517 0.852 1.000 0.833 CB 1.129 14 residues pruned to eliminate duplicates Z: 12 11.481 1.679 0.505 0.920 1.000 0.636 CB 0.964 12 residues pruned to eliminate duplicates Z: 19 6.454 1.554 0.339 0.315 0.833 0.444 CB 1.076 5 residues pruned to eliminate duplicates Z: 6 3.913 1.552 0.022 0.696 0.800 0.600 N 1.153 6 residues pruned to eliminate duplicates Z: 8 10.213 1.701 0.375 0.869 0.857 0.714 CB 1.405 8 residues pruned to eliminate duplicates Z: 14 6.303 1.567 0.341 0.447 0.769 0.538 CB 1.142 Z: 25 12.367 1.695 0.672 0.523 0.875 0.542 CB 0.995 22 residues pruned to eliminate duplicates Z: 14 16.173 1.805 0.715 0.885 1.000 0.923 CB 1.046 14 residues pruned to eliminate duplicates Z: 9 7.966 1.536 0.566 0.871 1.000 0.875 CB 0.854 Z: 10 11.962 1.640 0.277 0.871 1.000 0.778 CB 1.389 10 residues pruned to eliminate duplicates Z: 16 4.536 1.464 0.646 0.219 0.733 0.333 CB 0.922 Z: 8 7.073 1.499 0.779 0.555 0.857 0.571 CA 1.109 7 residues pruned to eliminate duplicates Z: 12 19.331 1.590 1.040 0.855 1.000 0.727 CA 1.327 10 residues pruned to eliminate duplicates Z: 12 9.436 1.664 0.513 0.879 1.000 0.727 CB 0.819 11 residues pruned to eliminate duplicates Z: 19 11.574 1.699 0.528 0.606 0.833 0.556 CB 1.140 19 residues pruned to eliminate duplicates Z: 10 13.234 1.472 0.904 0.878 1.000 0.889 CB 1.142 10 residues pruned to eliminate duplicates Z: 6 3.806 1.614 0.563 0.450 0.600 0.600 N 1.184 Z: 16 10.693 1.562 0.439 0.837 0.933 0.867 CB 0.985 16 residues pruned to eliminate duplicates Z: 6 2.930 1.513 0.309 0.255 0.800 0.800 CB 1.095 Z: 10 14.675 1.754 0.378 0.863 1.000 0.889 CB 1.484 10 residues pruned to eliminate duplicates Z: 18 17.002 1.790 1.070 0.664 0.941 0.647 CB 1.015 36 residues pruned to eliminate duplicates Z: 15 11.843 1.600 0.404 0.858 0.929 0.714 CB 1.117 15 residues pruned to eliminate duplicates Z: 22 13.113 1.567 0.662 0.890 0.952 0.667 CB 0.830 26 residues pruned to eliminate duplicates Z: 11 3.325 1.375 0.331 0.274 0.700 0.400 CB 1.062 Z: 18 18.264 1.692 0.647 0.927 1.000 0.941 CB 1.114 18 residues pruned to eliminate duplicates Z: 7 3.762 1.582 0.095 0.872 1.000 0.833 CB 0.646 Z: 10 6.319 1.629 0.584 0.381 0.889 0.444 N 1.042 9 residues pruned to eliminate duplicates Z: 8 7.586 1.605 0.462 0.709 0.857 0.429 CB 1.179 10 residues pruned to eliminate duplicates Z: 8 3.409 1.483 0.064 0.837 0.857 0.714 CB 0.713 8 residues pruned to eliminate duplicates Z: 13 7.620 1.538 0.491 0.601 0.833 0.583 CB 1.045 5 residues pruned to eliminate duplicates Z: 8 7.096 1.411 0.621 0.882 0.857 0.857 CB 0.990 Z: 20 12.527 1.462 0.546 0.835 0.947 0.737 CB 1.005 20 residues pruned to eliminate duplicates Z: 9 3.410 1.381 0.115 0.273 0.875 0.500 CB 1.158 Z: 7 8.649 1.434 1.068 0.811 1.000 0.667 CB 0.908 Z: 12 17.660 1.695 0.805 0.879 1.000 0.909 CA 1.262 12 residues pruned to eliminate duplicates Z: 10 7.469 1.708 0.349 0.860 0.778 0.444 CB 1.022 10 residues pruned to eliminate duplicates Z: 9 4.745 1.485 0.240 0.679 1.000 0.500 CB 0.773 9 residues pruned to eliminate duplicates Z: 13 16.342 1.617 1.010 0.913 0.917 0.917 CB 1.120 13 residues pruned to eliminate duplicates Z: 7 4.945 1.708 0.457 0.545 0.833 0.667 CB 0.931 7 residues pruned to eliminate duplicates Z: 12 14.333 1.553 0.624 0.872 0.909 0.818 CB 1.373 11 residues pruned to eliminate duplicates Z: 13 3.559 1.419 0.473 0.192 0.667 0.333 CB 1.066 13 residues pruned to eliminate duplicates Z: 14 6.708 1.599 0.311 0.365 0.846 0.615 CB 1.212 16 residues pruned to eliminate duplicates Z: 16 11.393 1.740 0.533 0.790 1.000 0.800 CB 0.855 16 residues pruned to eliminate duplicates Z: 16 3.931 1.405 0.516 0.245 0.600 0.333 N 1.066 Z: 9 9.398 1.521 0.702 0.850 1.000 0.875 CB 0.951 9 residues pruned to eliminate duplicates Z: 8 5.438 1.411 0.607 0.429 0.857 0.286 CB 1.139 Z: 11 5.590 1.474 0.775 0.396 0.800 0.400 CB 0.943 Z: 8 3.551 1.506 0.286 0.675 0.857 0.714 CB 0.688 Z: 7 4.195 1.471 0.861 0.348 0.833 0.333 N 0.886 6 1.520 1.174 0.638 0.616 0.800 0.800 CB 0.396 ? Z: 9 5.490 1.556 0.488 0.494 0.875 0.375 CB 0.964 9 residues pruned to eliminate duplicates Z: 15 10.551 1.544 0.441 0.938 1.000 1.000 CB 0.882 15 residues pruned to eliminate duplicates Z: 20 8.818 1.563 0.457 0.463 0.895 0.526 CB 1.031 12 residues pruned to eliminate duplicates Z: 6 8.288 1.491 0.420 0.867 1.000 1.000 N 1.281 Z: 7 3.943 1.522 0.071 0.634 0.833 0.667 CB 1.045 Z: 7 3.494 1.610 0.303 0.844 0.833 0.833 CB 0.607 Z: 11 12.642 1.677 0.564 0.877 0.900 0.900 CB 1.230 11 residues pruned to eliminate duplicates Z: 11 15.640 1.642 0.725 0.808 1.000 0.700 CA 1.335 11 residues pruned to eliminate duplicates 6 1.376 1.137 0.300 0.288 0.800 0.800 N 0.660 ? Z: 11 6.118 1.327 0.336 0.871 0.900 0.700 CB 0.884 11 residues pruned to eliminate duplicates Z: 6 6.359 1.581 0.426 0.794 1.000 0.600 CB 0.975 6 residues pruned to eliminate duplicates Z: 6 3.905 1.598 0.529 0.284 0.800 0.600 CB 1.140 6 residues pruned to eliminate duplicates Z: 14 12.313 1.593 0.498 0.808 0.923 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 9 4.634 1.639 0.335 0.354 0.750 0.625 CB 1.169 Z: 10 17.480 1.829 0.719 0.815 1.000 0.778 CA 1.410 10 residues pruned to eliminate duplicates Z: 13 15.864 1.699 0.566 0.923 1.000 0.833 CA 1.210 13 residues pruned to eliminate duplicates Z: 13 6.155 1.645 0.379 0.319 0.833 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 12 23.517 1.809 0.891 0.903 1.000 0.909 CA 1.478 12 residues pruned to eliminate duplicates Z: 12 9.067 1.611 0.580 0.698 0.909 0.727 CB 0.986 Z: 13 19.769 1.776 0.533 0.862 1.000 0.667 N 1.540 13 residues pruned to eliminate duplicates Z: 6 4.380 1.519 0.949 0.518 0.800 0.400 CB 0.812 Z: 9 4.609 1.475 0.690 0.292 0.750 0.500 CB 1.101 4 residues pruned to eliminate duplicates Z: 6 2.175 1.394 0.983 0.169 0.800 0.400 CB 0.658 Z: 7 2.502 1.354 0.675 0.327 0.667 0.333 CB 0.817 Z: 13 10.473 1.485 0.401 0.864 1.000 0.833 CB 1.065 13 residues pruned to eliminate duplicates 6 1.620 1.217 0.366 0.382 0.800 0.400 CB 0.618 ? Z: 8 3.124 1.604 0.184 0.286 0.714 0.714 CB 1.107 Z: 7 4.527 1.709 0.294 0.634 1.000 1.000 CB 0.737 7 residues pruned to eliminate duplicates Z: 7 3.384 1.311 0.876 0.374 0.833 0.500 CB 0.771 Z: 12 23.165 1.801 0.858 0.906 1.000 0.727 CA 1.485 12 residues pruned to eliminate duplicates Z: 12 15.838 1.684 0.826 0.759 1.000 0.636 CB 1.233 12 residues pruned to eliminate duplicates Z: 8 2.018 1.549 0.140 0.370 1.000 0.857 CB 0.497 8 residues pruned to eliminate duplicates Z: 6 2.294 1.454 0.383 0.459 0.600 0.600 CB 0.887 Z: 9 7.368 1.375 0.785 0.860 0.875 0.625 CB 0.892 8 residues pruned to eliminate duplicates Z: 12 10.918 1.655 0.481 0.669 0.909 0.727 CB 1.264 8 residues pruned to eliminate duplicates Z: 18 13.873 1.612 0.540 0.891 1.000 0.882 CB 0.974 18 residues pruned to eliminate duplicates Z: 12 4.562 1.411 0.872 0.360 0.636 0.364 CB 0.951 Z: 6 10.276 1.666 0.508 0.774 1.000 0.800 O 1.435 6 residues pruned to eliminate duplicates Z: 14 6.383 1.625 0.636 0.293 0.846 0.462 CB 0.992 Z: 23 10.776 1.757 0.639 0.515 0.864 0.636 CB 0.910 13 residues pruned to eliminate duplicates Z: 12 15.921 1.709 0.467 0.930 1.000 1.000 CB 1.339 12 residues pruned to eliminate duplicates Z: 26 17.050 1.705 0.670 0.508 0.960 0.680 CB 1.238 21 residues pruned to eliminate duplicates Z: 11 8.271 1.371 1.260 0.896 0.800 0.300 CB 0.756 7 residues pruned to eliminate duplicates Z: 6 2.901 1.482 0.545 0.272 0.800 0.200 CB 0.917 Z: 8 5.166 1.419 0.392 0.538 0.857 0.571 CB 1.111 8 residues pruned to eliminate duplicates Z: 6 3.126 1.546 0.185 0.602 0.800 0.400 CB 0.865 Z: 22 12.134 1.555 0.532 0.900 1.000 0.810 CB 0.794 22 residues pruned to eliminate duplicates Z: 23 13.246 1.709 0.512 0.552 0.909 0.636 CB 1.143 23 residues pruned to eliminate duplicates Z: 7 7.937 1.501 0.538 0.825 1.000 0.667 CB 1.060 Z: 14 21.215 1.540 1.151 0.901 1.000 0.846 N 1.268 13 residues pruned to eliminate duplicates Z: 24 17.648 1.655 0.667 0.916 1.000 0.957 CB 0.942 24 residues pruned to eliminate duplicates Z: 7 2.878 1.461 0.049 0.392 0.833 0.833 CB 1.032 8 residues pruned to eliminate duplicates Z: 11 7.761 1.434 0.412 0.902 0.900 0.900 CB 0.960 11 residues pruned to eliminate duplicates Z: 10 3.143 1.497 0.025 0.314 0.889 0.667 CB 0.942 Z: 9 6.993 1.571 0.230 0.875 0.875 0.750 CB 1.063 10 residues pruned to eliminate duplicates Z: 10 2.747 1.433 0.368 0.256 0.667 0.444 CB 0.927 10 residues pruned to eliminate duplicates Z: 7 2.401 1.423 0.497 0.465 0.833 0.667 CB 0.573 Z: 25 21.754 1.673 0.725 0.920 0.958 0.917 CB 1.131 25 residues pruned to eliminate duplicates Z: 25 12.595 1.488 0.477 0.869 0.875 0.792 CB 0.976 25 residues pruned to eliminate duplicates Z: 6 3.181 1.602 0.047 0.592 0.800 0.400 CB 0.971 Z: 8 3.242 1.398 0.800 0.423 0.857 0.429 CB 0.616 6 residues pruned to eliminate duplicates Z: 8 6.382 1.668 0.297 0.565 0.857 0.714 CB 1.222 8 residues pruned to eliminate duplicates 10 1.849 1.251 0.439 0.205 0.667 0.444 CB 0.728 ? Z: 13 11.346 1.513 0.469 0.830 0.917 0.833 CB 1.209 13 residues pruned to eliminate duplicates Z: 7 2.678 1.452 0.948 0.249 0.500 0.500 CB 1.032 Z: 8 7.085 1.454 0.484 0.587 1.000 0.571 CB 1.141 Z: 6 3.263 1.581 0.207 0.492 1.000 0.800 CB 0.771 6 residues pruned to eliminate duplicates Z: 10 11.630 1.564 0.467 0.773 1.000 0.889 CB 1.327 10 residues pruned to eliminate duplicates 8 1.685 1.366 0.223 0.212 0.571 0.429 CB 0.937 ? Z: 9 5.056 1.429 0.330 0.855 1.000 0.750 CB 0.694 9 residues pruned to eliminate duplicates Z: 12 14.976 1.718 0.843 0.855 0.818 0.364 CB 1.287 12 residues pruned to eliminate duplicates Z: 16 10.131 1.531 0.340 0.864 1.000 0.867 CB 0.935 16 residues pruned to eliminate duplicates Z: 8 5.941 1.643 0.413 0.306 1.000 0.714 CB 1.200 9 residues pruned to eliminate duplicates Z: 21 19.529 1.698 0.764 0.636 0.900 0.600 CB 1.426 19 residues pruned to eliminate duplicates Z: 11 9.627 1.511 0.542 0.619 1.000 0.900 CB 1.167 13 residues pruned to eliminate duplicates Z: 20 12.365 1.542 0.568 0.905 1.000 0.947 CB 0.835 20 residues pruned to eliminate duplicates Z: 11 7.361 1.496 0.428 0.850 0.900 0.500 CB 0.897 12 residues pruned to eliminate duplicates 6 1.218 1.417 0.368 0.507 0.600 0.600 CB 0.465 ? Z: 11 4.375 1.455 0.692 0.421 0.600 0.500 CB 1.018 7 residues pruned to eliminate duplicates Z: 10 11.350 1.627 0.639 0.889 0.889 0.667 N 1.149 10 residues pruned to eliminate duplicates Z: 7 8.262 1.540 0.619 0.809 1.000 0.833 CB 1.033 Z: 12 10.847 1.476 0.709 0.925 1.000 0.909 CB 0.910 10 residues pruned to eliminate duplicates Z: 9 3.893 1.491 0.124 0.472 0.875 0.500 CB 0.966 6 1.679 1.344 0.525 0.264 0.600 0.400 CB 0.800 ? Z: 8 6.645 1.388 0.596 0.889 0.857 0.714 CB 0.952 8 residues pruned to eliminate duplicates Z: 6 2.760 1.348 0.176 0.431 0.800 0.600 CB 1.044 Z: 10 9.735 1.589 0.624 0.603 0.889 0.667 CB 1.282 9 residues pruned to eliminate duplicates Z: 15 17.221 1.673 0.706 0.902 1.000 0.929 CB 1.151 15 residues pruned to eliminate duplicates Z: 16 7.375 1.505 0.800 0.644 0.800 0.267 CB 0.769 13 residues pruned to eliminate duplicates Z: 6 5.023 1.321 0.644 0.632 1.000 0.800 N 0.914 Z: 12 8.366 1.367 0.377 0.917 1.000 0.727 CB 0.946 9 residues pruned to eliminate duplicates Z: 7 6.758 1.323 0.645 0.809 1.000 0.667 CA 0.968 7 residues pruned to eliminate duplicates Z: 9 4.111 1.582 0.250 0.827 1.000 0.750 CB 0.554 7 residues pruned to eliminate duplicates Z: 16 16.920 1.715 0.681 0.840 0.933 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 6 2.753 1.652 0.666 0.865 1.000 1.000 CB 0.328 Z: 18 12.175 1.593 0.561 0.926 1.000 0.706 CB 0.833 18 residues pruned to eliminate duplicates Z: 11 6.105 1.504 0.944 0.361 0.700 0.300 CB 1.096 7 residues pruned to eliminate duplicates Z: 6 2.924 1.397 0.730 0.846 0.800 0.600 CB 0.502 Z: 10 3.783 1.539 0.223 0.406 0.889 0.556 CB 0.832 Z: 9 5.054 1.510 0.394 0.599 0.875 0.750 CB 0.882 Z: 11 4.127 1.271 0.149 0.798 0.900 0.800 CB 0.765 11 residues pruned to eliminate duplicates Z: 17 11.493 1.618 0.235 0.935 1.000 0.938 CB 1.002 13 residues pruned to eliminate duplicates Z: 7 4.464 1.446 0.553 0.549 0.833 0.833 N 0.928 Z: 8 4.030 1.626 0.197 0.247 0.857 0.429 CB 1.222 Z: 8 2.719 1.449 0.314 0.288 0.857 0.571 N 0.800 Z: 27 17.076 1.641 0.400 0.933 1.000 1.000 CB 1.018 27 residues pruned to eliminate duplicates 6 0.072 1.320 0.695 0.297 0.600 0.400 CB 0.030 ? Z: 7 4.145 1.512 0.071 0.584 0.833 0.667 CB 1.157 7 residues pruned to eliminate duplicates Z: 10 2.423 1.445 0.238 0.415 0.778 0.444 CB 0.634 Z: 6 3.031 1.448 -0.017 0.662 0.800 0.400 CB 1.025 Z: 8 3.945 1.544 0.036 0.824 0.714 0.429 CB 0.986 8 residues pruned to eliminate duplicates Z: 7 3.020 1.517 0.097 0.402 0.833 0.500 CB 0.986 7 residues pruned to eliminate duplicates Z: 12 13.988 1.638 0.809 0.888 1.000 0.727 CB 1.026 12 residues pruned to eliminate duplicates Z: 8 6.128 1.491 0.683 0.766 0.857 0.571 CB 0.851 7 residues pruned to eliminate duplicates Z: 15 6.388 1.541 0.519 0.373 0.786 0.429 CB 1.063 30 residues pruned to eliminate duplicates Z: 7 8.125 1.655 0.841 0.395 1.000 0.167 CB 1.216 7 residues pruned to eliminate duplicates Z: 12 12.326 1.621 0.480 0.835 1.000 0.727 CB 1.160 13 residues pruned to eliminate duplicates Z: 12 6.999 1.662 0.723 0.403 0.818 0.545 CB 0.997 12 residues pruned to eliminate duplicates Z: 8 2.839 1.359 0.181 0.542 0.857 0.429 CB 0.748 Z: 6 3.329 1.465 0.755 0.428 0.800 0.400 CB 0.780 Z: 9 4.680 1.435 0.414 0.589 0.750 0.375 CB 0.998 9 residues pruned to eliminate duplicates Z: 8 5.354 1.460 0.600 0.605 0.714 0.714 CB 1.097 8 residues pruned to eliminate duplicates Z: 23 10.881 1.530 0.570 0.869 0.909 0.773 CB 0.776 23 residues pruned to eliminate duplicates Z: 6 2.784 1.340 0.500 0.298 0.800 0.600 CB 0.971 Z: 9 7.750 1.464 0.640 0.803 0.875 0.375 CB 1.001 8 residues pruned to eliminate duplicates Z: 19 25.757 1.869 1.037 0.726 0.944 0.778 CB 1.377 19 residues pruned to eliminate duplicates Z: 12 6.888 1.589 0.694 0.544 0.909 0.636 CB 0.813 10 residues pruned to eliminate duplicates Z: 7 5.612 1.571 0.503 0.810 1.000 0.833 CB 0.741 7 residues pruned to eliminate duplicates Z: 10 7.064 1.655 0.644 0.391 0.778 0.778 CB 1.249 10 residues pruned to eliminate duplicates Z: 6 2.587 1.715 0.241 0.364 1.000 0.800 CB 0.629 6 residues pruned to eliminate duplicates Z: 8 5.787 1.650 0.307 0.478 0.857 0.286 CB 1.210 8 residues pruned to eliminate duplicates Z: 9 6.760 1.528 0.197 0.896 1.000 1.000 CB 0.936 9 residues pruned to eliminate duplicates 6 0.858 1.351 0.254 0.103 0.400 0.200 N 0.938 ? Z: 10 3.956 1.400 0.142 0.510 1.000 0.556 CB 0.816 9 residues pruned to eliminate duplicates Z: 16 13.789 1.721 0.436 0.872 1.000 0.667 CB 1.050 16 residues pruned to eliminate duplicates Z: 35 13.579 1.699 0.510 0.553 0.824 0.559 CB 1.047 44 residues pruned to eliminate duplicates Z: 9 5.444 1.573 0.650 0.469 0.750 0.375 CB 1.021 9 residues pruned to eliminate duplicates 11 1.648 1.312 0.410 0.361 0.600 0.200 CB 0.545 ? Z: 10 9.472 1.378 1.210 0.731 0.778 0.667 N 1.083 10 residues pruned to eliminate duplicates Z: 16 11.920 1.550 0.542 0.889 1.000 0.867 CB 0.927 16 residues pruned to eliminate duplicates Z: 18 12.778 1.480 0.601 0.917 0.941 0.941 CB 0.981 18 residues pruned to eliminate duplicates Z: 22 12.100 1.500 0.519 0.854 0.857 0.762 CB 0.999 21 residues pruned to eliminate duplicates Z: 15 5.625 1.538 0.435 0.420 0.857 0.643 CB 0.863 15 residues pruned to eliminate duplicates Z: 16 9.212 1.580 0.586 0.619 0.800 0.600 CB 1.060 16 residues pruned to eliminate duplicates Z: 6 3.489 1.323 0.329 0.859 1.000 0.600 CB 0.653 Z: 8 4.368 1.529 0.501 0.587 0.857 0.714 CB 0.772 8 residues pruned to eliminate duplicates Z: 8 2.574 1.261 0.308 0.431 0.857 0.286 N 0.739 8 residues pruned to eliminate duplicates Z: 10 7.618 1.609 0.614 0.783 0.778 0.556 CB 0.980 10 residues pruned to eliminate duplicates Z: 12 7.547 1.562 0.541 0.527 0.818 0.636 CB 1.125 10 residues pruned to eliminate duplicates Z: 20 7.620 1.643 0.407 0.608 0.947 0.737 CB 0.720 20 residues pruned to eliminate duplicates Z: 7 3.232 1.387 0.711 0.250 0.833 0.333 CB 0.890 5 residues pruned to eliminate duplicates Z: 23 17.518 1.768 0.644 0.591 0.909 0.545 CB 1.296 26 residues pruned to eliminate duplicates Z: 9 5.316 1.564 0.322 0.587 0.875 0.750 CB 0.956 Z: 6 5.746 1.534 0.705 0.859 0.800 0.400 CB 0.903 6 residues pruned to eliminate duplicates Z: 25 16.424 1.679 0.854 0.624 0.833 0.667 CB 1.150 29 residues pruned to eliminate duplicates Z: 9 5.295 1.421 0.613 0.874 1.000 0.875 CB 0.594 8 residues pruned to eliminate duplicates Z: 31 10.705 1.687 0.488 0.336 0.867 0.567 CB 1.075 28 residues pruned to eliminate duplicates Z: 6 3.234 1.342 0.468 0.525 0.800 0.600 O 0.896 Z: 10 12.312 1.751 0.950 0.608 1.000 0.556 CB 1.084 8 residues pruned to eliminate duplicates Z: 10 6.781 1.592 0.745 0.511 0.778 0.556 CB 1.034 9 residues pruned to eliminate duplicates Z: 8 4.299 1.413 0.501 0.395 1.000 0.143 CB 0.856 Z: 13 5.893 1.536 0.426 0.367 0.917 0.583 CB 0.978 13 residues pruned to eliminate duplicates Z: 7 4.299 1.424 0.536 0.671 0.667 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 7 2.165 1.319 0.608 0.249 0.667 0.500 CB 0.834 Z: 13 7.705 1.461 0.733 0.887 1.000 0.667 CB 0.633 11 residues pruned to eliminate duplicates Z: 10 5.066 1.582 0.754 0.340 0.778 0.667 CB 0.932 Z: 13 8.980 1.523 0.529 0.810 0.833 0.750 CB 1.020 13 residues pruned to eliminate duplicates Z: 8 3.307 1.308 0.433 0.344 0.714 0.571 CA 1.106 Z: 10 10.466 1.540 0.594 0.812 0.889 0.889 CB 1.219 10 residues pruned to eliminate duplicates Z: 6 3.030 1.303 0.501 0.590 1.000 0.800 CB 0.636 Z: 7 2.211 1.193 1.055 0.359 0.500 0.500 N 0.858 Z: 9 9.632 1.538 0.572 0.916 1.000 0.750 CB 0.994 9 residues pruned to eliminate duplicates Z: 6 3.237 1.504 -0.022 0.428 1.000 0.800 CB 1.060 Z: 8 3.777 1.550 0.733 0.891 1.000 0.857 CB 0.382 Z: 6 3.206 1.434 0.054 0.326 1.000 0.200 CB 1.149 Z: 10 7.722 1.527 0.640 0.482 1.000 0.667 CA 1.047 10 residues pruned to eliminate duplicates 7 1.332 1.282 0.105 0.247 0.500 0.333 CB 1.027 ? Z: 11 13.626 1.713 0.902 0.872 1.000 0.400 CB 0.964 11 residues pruned to eliminate duplicates Z: 12 10.586 1.600 0.350 0.862 1.000 0.818 CB 1.084 12 residues pruned to eliminate duplicates Z: 10 3.743 1.443 0.594 0.337 0.778 0.222 N 0.833 Z: 10 2.211 1.326 0.435 0.230 0.556 0.333 CB 0.956 Z: 11 15.953 1.651 0.606 0.878 1.000 0.700 O 1.380 10 residues pruned to eliminate duplicates Z: 13 18.981 1.765 0.538 0.894 1.000 0.833 CA 1.448 13 residues pruned to eliminate duplicates Z: 13 9.870 1.592 0.497 0.565 1.000 0.667 CB 1.122 20 residues pruned to eliminate duplicates Z: 23 12.062 1.513 0.339 0.902 0.955 0.818 CB 0.948 22 residues pruned to eliminate duplicates Z: 16 5.454 1.426 0.726 0.284 0.800 0.600 CB 0.912 16 residues pruned to eliminate duplicates Z: 18 10.867 1.690 0.658 0.551 0.765 0.588 CB 1.171 23 residues pruned to eliminate duplicates Z: 8 3.352 1.506 0.135 0.272 1.000 0.429 CB 0.960 Z: 10 5.461 1.472 0.417 0.412 0.889 0.444 CB 1.076 Z: 8 3.384 1.480 0.119 0.337 0.857 0.429 CB 1.076 5 residues pruned to eliminate duplicates Z: 6 5.836 1.631 0.484 0.509 1.000 0.400 CB 1.068 Z: 6 7.547 1.555 0.319 0.849 1.000 1.000 CB 1.219 6 residues pruned to eliminate duplicates Z: 14 6.331 1.629 0.789 0.324 0.769 0.462 N 0.951 14 residues pruned to eliminate duplicates Z: 25 18.477 1.656 0.718 0.932 1.000 0.917 CB 0.926 25 residues pruned to eliminate duplicates Z: 9 4.691 1.387 0.333 0.880 1.000 0.875 CB 0.650 Z: 14 12.092 1.513 0.651 0.793 0.923 0.769 CB 1.124 14 residues pruned to eliminate duplicates Z: 18 11.952 1.656 0.642 0.529 0.824 0.471 CB 1.258 18 residues pruned to eliminate duplicates Z: 7 3.311 1.263 0.697 0.561 0.833 0.667 O 0.713 Z: 12 8.349 1.532 0.548 0.846 0.818 0.727 CA 0.964 12 residues pruned to eliminate duplicates 6 1.599 1.048 0.590 0.298 0.800 0.600 O 0.672 ? Z: 6 3.806 1.404 0.882 0.401 0.800 0.400 CB 0.894 Z: 17 9.168 1.521 0.472 0.461 0.938 0.625 N 1.137 17 residues pruned to eliminate duplicates Z: 37 13.065 1.606 0.523 0.609 0.917 0.694 CB 0.876 37 residues pruned to eliminate duplicates Z: 7 4.528 1.596 -0.166 0.883 1.000 1.000 CB 1.004 6 residues pruned to eliminate duplicates Z: 10 5.783 1.528 0.539 0.348 0.889 0.444 CB 1.088 Z: 7 2.708 1.501 0.346 0.750 0.833 0.667 CB 0.526 Z: 6 2.798 1.085 0.580 0.637 1.000 0.400 CB 0.642 Z: 12 14.621 1.568 0.725 0.880 1.000 0.727 CB 1.181 12 residues pruned to eliminate duplicates Z: 12 16.915 1.743 0.634 0.895 1.000 1.000 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 8.599 1.332 0.643 0.891 1.000 0.769 CB 0.784 12 residues pruned to eliminate duplicates Z: 26 18.051 1.619 0.749 0.914 1.000 0.920 CB 0.902 26 residues pruned to eliminate duplicates Z: 26 18.281 1.626 0.754 0.936 1.000 0.880 CB 0.893 26 residues pruned to eliminate duplicates Z: 9 4.728 1.474 0.063 0.690 1.000 0.625 CB 0.896 6 residues pruned to eliminate duplicates Z: 10 3.062 1.647 0.289 0.265 0.889 0.444 CB 0.708 10 residues pruned to eliminate duplicates Z: 6 2.240 1.408 -0.115 0.496 0.800 0.800 CB 1.009 Z: 6 3.486 1.404 0.296 0.563 0.800 0.600 CB 1.008 Z: 6 2.412 1.379 0.641 0.416 0.800 0.800 N 0.650 Z: 8 2.605 1.242 0.331 0.319 0.857 0.286 N 0.849 Z: 7 5.564 1.644 0.485 0.291 1.000 0.500 CB 1.176 Z: 17 5.767 1.504 0.367 0.288 0.812 0.438 CB 1.096 10 residues pruned to eliminate duplicates Z: 7 4.943 1.631 0.537 0.504 0.833 0.500 CB 0.963 Z: 12 18.181 1.847 0.542 0.845 1.000 0.818 CA 1.431 12 residues pruned to eliminate duplicates Z: 19 15.586 1.648 0.517 0.884 1.000 0.833 CB 1.062 19 residues pruned to eliminate duplicates Z: 8 3.647 1.596 0.482 0.380 0.714 0.429 CB 0.927 8 residues pruned to eliminate duplicates Z: 12 3.284 1.322 0.523 0.448 0.727 0.364 CB 0.713 4 residues pruned to eliminate duplicates Z: 8 6.508 1.611 0.944 0.585 0.714 0.571 CB 1.013 6 residues pruned to eliminate duplicates Z: 11 11.366 1.493 0.635 0.901 1.000 0.900 CB 1.051 13 residues pruned to eliminate duplicates Z: 9 2.116 1.337 0.373 0.303 0.625 0.625 CB 0.812 Z: 12 6.827 1.522 0.498 0.443 0.909 0.636 CB 1.053 12 residues pruned to eliminate duplicates 7 1.599 1.299 0.282 0.234 0.500 0.333 O 1.067 ? Z: 7 3.268 1.377 0.419 0.479 0.833 0.500 N 0.837 Z: 6 3.295 1.418 0.383 0.581 0.800 0.800 CB 0.869 7 0.907 1.373 0.201 0.264 0.500 0.167 CB 0.588 ? 1156 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 19 D: 6 E: 8 F: 23 G: 8 H: 11 I: 23 J: 24 K: 12 L: 25 M: 11 N: 13 O: 13 P: 23 Q: 8 R: 16 S: 18 T: 8 U: 29 V: 12 W: 8 X: 11 Y: 22 Z: 6 Z: 13 Z: 27 Z: 27 Z: 7 Z: 13 Z: 14 Z: 6 Z: 7 Z: 9 Z: 33 Z: 9 Z: 7 Z: 15 Z: 19 Z: 13 Z: 9 Z: 8 Z: 7 Z: 19 Z: 12 Z: 14 Z: 12 Z: 6 Z: 18 Z: 26 Z: 19 Z: 9 Z: 23 Z: 6 Z: 22 Z: 12 Z: 17 Z: 30 Z: 42 Z: 9 Z: 6 Z: 11 Z: 14 Z: 11 Z: 25 Z: 39 Z: 11 Z: 12 Z: 11 Z: 13 Z: 14 Z: 8 Z: 6 Z: 9 Z: 33 Z: 12 Z: 6 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 32.95 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.377, Connect. = 0.659 for dens.mod. cycle 1 = 0.300, Contrast = 0.442, Connect. = 0.683 for dens.mod. cycle 2 = 0.300, Contrast = 0.523, Connect. = 0.714 for dens.mod. cycle 3 = 0.300, Contrast = 0.536, Connect. = 0.718 for dens.mod. cycle 4 = 0.300, Contrast = 0.548, Connect. = 0.722 for dens.mod. cycle 5 = 0.300, Contrast = 0.554, Connect. = 0.725 for dens.mod. cycle 6 = 0.300, Contrast = 0.561, Connect. = 0.728 for dens.mod. cycle 7 = 0.300, Contrast = 0.564, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.567, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.569, Connect. = 0.732 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4550 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1177 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 21.085 1.821 0.654 0.888 1.000 0.846 CB 1.399 B: 11 15.357 1.734 0.621 0.857 1.000 0.900 CB 1.273 C: 9 6.094 1.838 0.612 0.375 0.750 0.375 CB 1.108 D: 14 10.602 1.500 0.393 0.840 0.923 0.923 CB 1.138 E: 13 19.315 1.865 0.534 0.902 0.917 0.833 CB 1.517 13 residues pruned to eliminate duplicates F: 14 21.387 1.779 0.691 0.901 1.000 0.692 CB 1.408 G: 12 16.273 1.649 0.558 0.909 1.000 0.909 N 1.356 H: 12 25.773 1.963 0.833 0.914 1.000 1.000 N 1.527 I: 10 17.949 1.841 0.546 0.891 1.000 0.889 CA 1.511 J: 13 25.939 1.920 0.847 0.895 1.000 0.917 CA 1.513 12 residues pruned to eliminate duplicates K: 13 16.050 1.736 0.337 0.858 1.000 0.917 CB 1.469 L: 8 6.675 1.831 0.882 0.380 0.857 0.714 CB 0.970 9 residues pruned to eliminate duplicates M: 10 17.257 2.010 0.468 0.868 0.889 0.667 CB 1.604 10 residues pruned to eliminate duplicates N: 15 18.130 1.904 0.362 0.877 1.000 0.929 CB 1.356 O: 13 25.312 1.915 0.867 0.871 1.000 0.750 CA 1.491 13 residues pruned to eliminate duplicates P: 11 14.193 1.808 0.782 0.862 0.900 0.900 CB 1.136 Q: 6 2.588 1.673 0.215 0.404 0.800 0.400 CB 0.787 R: 10 7.847 1.709 0.079 0.865 0.889 0.889 CB 1.169 S: 12 25.331 1.985 0.844 0.832 1.000 0.818 CA 1.566 12 residues pruned to eliminate duplicates T: 12 19.418 1.962 0.480 0.864 1.000 0.818 CA 1.478 12 residues pruned to eliminate duplicates U: 10 18.585 1.855 0.859 0.877 1.000 0.889 CB 1.304 V: 13 18.660 1.732 0.523 0.849 1.000 0.750 N 1.514 13 residues pruned to eliminate duplicates W: 25 20.929 1.755 0.754 0.875 0.958 0.542 CB 1.053 X: 25 21.159 1.750 0.740 0.891 0.958 0.708 CB 1.064 25 residues pruned to eliminate duplicates Y: 12 13.703 1.852 0.771 0.879 0.818 0.727 CB 1.117 12 residues pruned to eliminate duplicates Z: 13 15.401 1.842 0.737 0.839 0.833 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 13 20.912 1.885 0.602 0.909 1.000 0.917 CB 1.418 13 residues pruned to eliminate duplicates Z: 13 13.303 1.687 0.210 0.826 1.000 0.667 CB 1.419 13 residues pruned to eliminate duplicates Z: 11 13.786 1.782 0.593 0.825 1.000 0.600 CB 1.159 11 residues pruned to eliminate duplicates Z: 9 10.374 1.926 0.522 0.889 1.000 0.875 CB 0.901 Z: 13 17.569 1.774 0.554 0.900 1.000 0.750 CB 1.314 Z: 9 20.563 1.831 0.943 0.909 1.000 1.000 CA 1.450 10 residues pruned to eliminate duplicates Z: 14 10.387 1.683 0.602 0.904 0.846 0.692 CB 0.900 Z: 11 7.522 1.717 0.578 0.383 0.800 0.500 CB 1.243 Z: 23 20.952 1.829 0.563 0.916 0.955 0.864 CB 1.156 24 residues pruned to eliminate duplicates Z: 12 19.076 1.878 0.452 0.901 1.000 0.909 CB 1.505 11 residues pruned to eliminate duplicates Z: 10 14.601 1.640 0.562 0.887 1.000 0.889 CB 1.370 Z: 25 22.997 1.742 0.807 0.903 0.917 0.625 CB 1.160 25 residues pruned to eliminate duplicates Z: 12 23.733 1.970 0.743 0.908 1.000 1.000 CA 1.480 12 residues pruned to eliminate duplicates Z: 16 20.570 1.851 0.382 0.874 1.000 0.933 CB 1.510 16 residues pruned to eliminate duplicates Z: 15 18.034 1.869 0.302 0.896 1.000 0.786 CB 1.418 15 residues pruned to eliminate duplicates Z: 24 24.834 1.793 0.656 0.939 1.000 0.957 CB 1.212 24 residues pruned to eliminate duplicates Z: 13 16.186 1.796 0.510 0.916 0.917 0.917 CB 1.327 Z: 10 20.465 1.752 1.051 0.869 1.000 0.667 CB 1.387 8 residues pruned to eliminate duplicates Z: 11 17.523 1.850 0.440 0.892 1.000 1.000 CB 1.494 11 residues pruned to eliminate duplicates Z: 16 17.933 1.642 0.925 0.876 0.933 0.867 CB 1.140 Z: 12 17.589 1.855 0.898 0.836 0.818 0.727 CB 1.379 12 residues pruned to eliminate duplicates Z: 24 22.711 1.783 0.786 0.885 0.957 0.609 CB 1.122 24 residues pruned to eliminate duplicates Z: 7 10.686 1.794 0.320 0.677 1.000 0.833 N 1.566 Z: 11 15.101 1.746 0.465 0.896 1.000 0.900 CB 1.337 Z: 11 18.268 1.770 0.894 0.899 0.900 0.900 CA 1.368 9 residues pruned to eliminate duplicates Z: 13 19.027 1.804 0.659 0.884 1.000 0.750 CB 1.326 13 residues pruned to eliminate duplicates Z: 8 4.048 1.594 0.416 0.524 0.857 0.429 CB 0.773 Z: 13 24.749 1.882 0.880 0.903 1.000 1.000 CA 1.439 13 residues pruned to eliminate duplicates Z: 12 25.664 1.978 0.921 0.834 1.000 0.818 CA 1.525 12 residues pruned to eliminate duplicates Z: 12 14.094 1.623 0.523 0.839 1.000 0.727 CB 1.284 12 residues pruned to eliminate duplicates Z: 14 19.296 1.773 0.544 0.850 1.000 0.769 N 1.449 Z: 21 14.986 1.832 0.497 0.598 0.950 0.550 CB 1.171 8 residues pruned to eliminate duplicates Z: 10 22.096 1.962 0.798 0.871 1.000 0.778 CA 1.522 11 residues pruned to eliminate duplicates Z: 7 6.086 1.721 0.582 0.573 0.667 0.667 N 1.276 Z: 16 14.318 1.673 0.501 0.859 1.000 0.867 CB 1.083 16 residues pruned to eliminate duplicates Z: 15 13.190 1.604 0.562 0.780 0.929 0.643 N 1.184 13 residues pruned to eliminate duplicates Z: 13 18.449 1.851 0.534 0.887 1.000 0.833 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 19.974 1.841 0.548 0.915 1.000 0.917 CB 1.429 11 residues pruned to eliminate duplicates Z: 12 12.042 1.759 0.702 0.801 0.909 0.727 CB 1.025 12 residues pruned to eliminate duplicates Z: 14 21.323 1.769 0.588 0.878 1.000 0.846 N 1.527 14 residues pruned to eliminate duplicates Z: 17 13.554 1.619 0.405 0.832 0.938 0.812 CB 1.192 16 residues pruned to eliminate duplicates Z: 12 11.141 1.690 0.667 0.788 0.818 0.727 N 1.131 14 residues pruned to eliminate duplicates Z: 22 20.601 1.676 0.753 0.906 0.952 0.857 CB 1.142 16 residues pruned to eliminate duplicates Z: 10 12.486 1.750 0.502 0.826 1.000 0.778 CB 1.194 12 residues pruned to eliminate duplicates Z: 14 10.083 1.732 0.122 0.894 1.000 0.923 CB 1.033 Z: 11 14.829 1.720 0.552 0.851 0.900 0.500 N 1.445 11 residues pruned to eliminate duplicates Z: 13 14.735 1.704 0.677 0.885 0.917 0.750 CB 1.173 13 residues pruned to eliminate duplicates Z: 8 2.714 1.538 0.813 0.199 0.571 0.429 N 0.920 Z: 6 7.658 1.845 -0.145 0.838 1.000 1.000 CA 1.623 5 residues pruned to eliminate duplicates Z: 15 18.489 1.885 0.262 0.907 1.000 1.000 CB 1.476 15 residues pruned to eliminate duplicates Z: 12 19.706 1.874 0.620 0.899 1.000 0.909 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 13.532 1.790 0.348 0.860 1.000 0.545 CB 1.244 11 residues pruned to eliminate duplicates Z: 20 13.204 1.665 0.838 0.481 0.842 0.526 CB 1.198 Z: 12 27.938 1.977 0.995 0.880 1.000 0.818 CA 1.547 12 residues pruned to eliminate duplicates Z: 7 4.535 1.947 0.049 0.875 1.000 0.833 CB 0.659 Z: 6 3.500 1.560 0.576 0.586 0.800 0.600 CB 0.733 Z: 35 19.712 1.846 0.683 0.568 0.765 0.618 CB 1.333 34 residues pruned to eliminate duplicates Z: 12 17.248 1.793 0.827 0.832 1.000 0.455 CB 1.192 11 residues pruned to eliminate duplicates Z: 16 18.779 1.827 0.713 0.808 0.933 0.800 CB 1.269 Z: 15 11.791 1.695 0.490 0.880 1.000 0.857 CB 0.904 15 residues pruned to eliminate duplicates Z: 8 7.570 1.730 0.007 0.667 1.000 0.857 CB 1.407 8 residues pruned to eliminate duplicates Z: 12 20.791 1.816 0.759 0.846 1.000 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 14 7.153 1.616 0.592 0.813 0.615 0.154 CB 0.954 14 residues pruned to eliminate duplicates Z: 6 9.869 1.834 0.328 0.863 1.000 0.800 CA 1.329 6 residues pruned to eliminate duplicates 7 1.708 1.577 0.284 0.297 0.833 0.500 CB 0.519 ? Z: 21 16.687 1.907 0.736 0.570 0.850 0.550 CB 1.240 15 residues pruned to eliminate duplicates Z: 14 11.440 1.759 0.311 0.816 0.923 0.615 CB 1.133 Z: 13 16.160 1.727 0.380 0.911 1.000 1.000 CB 1.387 Z: 11 11.798 1.752 0.189 0.881 1.000 0.800 CA 1.297 11 residues pruned to eliminate duplicates Z: 12 26.542 1.973 0.932 0.864 1.000 0.818 CA 1.539 27 residues pruned to eliminate duplicates Z: 6 8.596 1.795 0.412 0.815 0.800 0.400 N 1.442 7 residues pruned to eliminate duplicates Z: 11 18.914 1.948 0.587 0.867 0.900 0.900 CB 1.572 11 residues pruned to eliminate duplicates Z: 24 18.966 1.721 0.720 0.873 0.870 0.739 CB 1.120 24 residues pruned to eliminate duplicates Z: 12 10.988 1.811 0.504 0.869 0.909 0.727 CB 0.977 Z: 13 15.041 1.771 0.367 0.844 1.000 0.583 CB 1.335 13 residues pruned to eliminate duplicates Z: 6 13.142 1.799 1.178 0.847 1.000 0.800 CB 1.114 Z: 16 11.557 1.758 0.259 0.885 1.000 0.933 CB 0.974 13 residues pruned to eliminate duplicates Z: 7 5.298 1.512 0.703 0.447 0.833 0.333 CB 1.064 Z: 12 11.347 1.791 0.658 0.549 0.818 0.636 N 1.342 12 residues pruned to eliminate duplicates Z: 12 11.774 1.592 0.558 0.877 1.000 0.545 CB 1.039 Z: 7 3.291 1.558 -0.047 0.410 0.833 0.500 CB 1.194 Z: 12 24.162 1.951 0.824 0.868 1.000 1.000 CA 1.496 12 residues pruned to eliminate duplicates Z: 7 5.828 1.661 0.500 0.822 0.833 0.500 CB 0.867 7 residues pruned to eliminate duplicates Z: 11 12.514 1.631 0.609 0.913 1.000 0.800 CB 1.067 11 residues pruned to eliminate duplicates Z: 18 11.686 1.712 0.246 0.907 1.000 0.941 CB 0.944 14 residues pruned to eliminate duplicates Z: 12 21.372 1.741 0.809 0.898 1.000 0.909 N 1.463 Z: 9 4.118 1.776 0.393 0.268 0.625 0.375 N 1.226 Z: 17 19.684 1.717 0.540 0.830 1.000 0.812 CB 1.399 16 residues pruned to eliminate duplicates Z: 13 10.939 1.461 0.627 0.926 1.000 0.917 CB 0.932 Z: 9 11.591 1.709 0.645 0.812 0.875 0.625 CB 1.270 Z: 14 17.146 1.725 0.545 0.829 0.923 0.538 CB 1.454 14 residues pruned to eliminate duplicates Z: 12 19.817 1.852 0.892 0.802 1.000 0.273 CB 1.310 12 residues pruned to eliminate duplicates Z: 12 20.252 1.827 0.743 0.901 1.000 0.909 CA 1.369 11 residues pruned to eliminate duplicates Z: 9 13.653 1.764 0.707 0.856 0.875 0.750 CB 1.351 9 residues pruned to eliminate duplicates Z: 14 7.514 1.742 0.515 0.349 0.769 0.615 CB 1.209 6 residues pruned to eliminate duplicates Z: 16 12.395 1.849 0.616 0.323 0.867 0.467 CB 1.502 Z: 16 13.991 1.868 0.653 0.615 0.933 0.533 CB 1.123 11 residues pruned to eliminate duplicates Z: 6 2.468 1.376 0.304 0.288 0.800 0.600 CA 0.975 Z: 19 8.716 1.708 0.421 0.476 0.833 0.611 CB 1.041 Z: 13 10.328 1.462 0.427 0.873 1.000 0.750 CB 1.040 13 residues pruned to eliminate duplicates Z: 8 8.511 1.716 0.270 0.838 1.000 0.571 CB 1.104 Z: 13 12.716 1.780 0.524 0.792 1.000 0.750 CB 1.047 Z: 12 10.652 1.830 0.116 0.909 1.000 0.909 CB 1.116 12 residues pruned to eliminate duplicates Z: 24 27.076 1.788 0.697 0.924 1.000 0.870 CB 1.308 25 residues pruned to eliminate duplicates Z: 23 16.561 1.575 0.637 0.879 0.955 0.682 CB 1.040 Z: 13 11.888 1.597 0.425 0.852 0.917 0.917 CB 1.217 14 residues pruned to eliminate duplicates Z: 11 12.582 1.488 0.705 0.878 1.000 0.800 CB 1.139 Z: 15 12.595 1.564 0.658 0.849 0.929 0.643 CB 1.036 14 residues pruned to eliminate duplicates Z: 9 4.587 1.766 0.458 0.455 0.750 0.500 CB 0.880 Z: 6 12.772 1.891 0.504 0.753 1.000 0.800 O 1.603 6 residues pruned to eliminate duplicates Z: 16 12.512 1.746 0.753 0.882 1.000 0.667 CB 0.764 16 residues pruned to eliminate duplicates Z: 12 13.583 1.709 0.423 0.846 1.000 0.727 CA 1.251 11 residues pruned to eliminate duplicates Z: 11 11.213 1.572 0.592 0.766 0.900 0.600 CB 1.243 11 residues pruned to eliminate duplicates Z: 13 4.105 1.571 0.377 0.141 0.667 0.333 CB 1.283 Z: 13 11.026 1.612 0.404 0.879 0.833 0.750 CB 1.224 13 residues pruned to eliminate duplicates Z: 12 20.875 1.860 0.690 0.927 1.000 1.000 CA 1.403 12 residues pruned to eliminate duplicates Z: 13 13.323 1.718 0.788 0.899 1.000 0.917 CB 0.895 9 residues pruned to eliminate duplicates Z: 12 17.679 1.751 0.664 0.785 1.000 0.727 CA 1.423 12 residues pruned to eliminate duplicates Z: 15 19.186 1.715 0.585 0.805 1.000 0.786 N 1.446 14 residues pruned to eliminate duplicates Z: 15 14.603 1.827 0.598 0.854 1.000 0.786 CB 0.987 15 residues pruned to eliminate duplicates Z: 6 6.406 1.603 0.178 0.714 1.000 1.000 CB 1.250 Z: 20 11.754 1.725 0.273 0.627 0.895 0.789 CB 1.218 18 residues pruned to eliminate duplicates Z: 13 18.222 1.806 0.358 0.906 1.000 0.833 O 1.525 13 residues pruned to eliminate duplicates Z: 12 13.728 1.804 0.190 0.894 1.000 0.818 CB 1.383 12 residues pruned to eliminate duplicates Z: 8 6.037 1.667 0.605 0.509 0.857 0.571 CB 0.986 Z: 9 6.515 1.704 0.266 0.890 1.000 1.000 CB 0.768 Z: 23 18.381 1.792 0.652 0.594 0.909 0.682 CB 1.331 17 residues pruned to eliminate duplicates Z: 13 17.586 1.623 0.868 0.919 1.000 0.917 CB 1.179 Z: 14 8.409 1.568 0.851 0.442 0.769 0.538 CB 1.109 15 residues pruned to eliminate duplicates Z: 12 14.604 1.762 0.459 0.875 1.000 0.909 CB 1.246 12 residues pruned to eliminate duplicates Z: 12 14.302 1.836 0.384 0.831 1.000 0.727 CB 1.275 12 residues pruned to eliminate duplicates Z: 7 6.230 1.797 -0.223 0.896 1.000 1.000 O 1.305 7 residues pruned to eliminate duplicates Z: 16 19.332 1.816 0.420 0.925 1.000 1.000 CB 1.359 16 residues pruned to eliminate duplicates Z: 31 12.738 1.779 0.506 0.263 0.867 0.567 CB 1.312 26 residues pruned to eliminate duplicates Z: 14 14.365 1.840 0.457 0.893 1.000 0.846 CB 1.067 14 residues pruned to eliminate duplicates Z: 11 7.116 1.646 0.902 0.560 0.800 0.600 CB 0.848 6 1.661 1.424 0.069 0.493 0.600 0.400 CB 0.819 ? Z: 12 18.171 1.784 0.596 0.872 1.000 0.636 CB 1.403 12 residues pruned to eliminate duplicates Z: 12 17.899 1.740 0.558 0.870 1.000 0.636 O 1.453 12 residues pruned to eliminate duplicates Z: 14 5.715 1.490 0.358 0.729 1.000 0.692 CB 0.637 Z: 9 4.040 1.633 0.750 0.888 1.000 1.000 CB 0.360 Z: 16 16.299 1.826 0.483 0.875 1.000 0.733 CB 1.130 16 residues pruned to eliminate duplicates Z: 11 23.151 1.966 0.869 0.908 1.000 0.800 CB 1.415 13 residues pruned to eliminate duplicates Z: 11 10.218 1.782 0.488 0.815 0.900 0.800 CB 1.030 10 residues pruned to eliminate duplicates Z: 16 16.990 1.693 0.637 0.896 1.000 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 13 12.814 1.646 0.704 0.887 0.833 0.833 CB 1.141 13 residues pruned to eliminate duplicates Z: 16 15.392 1.770 0.573 0.887 1.000 0.867 CB 1.030 16 residues pruned to eliminate duplicates Z: 17 13.450 1.742 0.531 0.857 1.000 0.875 CB 0.929 16 residues pruned to eliminate duplicates Z: 17 14.734 1.725 0.423 0.911 0.938 0.875 CB 1.135 11 residues pruned to eliminate duplicates Z: 15 16.470 1.668 0.459 0.889 1.000 0.786 CB 1.303 16 residues pruned to eliminate duplicates Z: 12 20.325 1.944 0.505 0.881 1.000 1.000 CB 1.517 11 residues pruned to eliminate duplicates Z: 20 8.923 1.648 0.481 0.557 0.842 0.526 CB 0.942 17 residues pruned to eliminate duplicates Z: 23 22.209 1.868 0.804 0.610 0.955 0.591 CB 1.326 23 residues pruned to eliminate duplicates Z: 10 12.693 1.724 0.434 0.863 0.889 0.667 N 1.412 Z: 12 14.288 1.736 0.759 0.881 0.909 0.727 CB 1.123 12 residues pruned to eliminate duplicates Z: 24 14.933 1.504 0.490 0.885 1.000 0.870 CB 1.003 Z: 7 5.455 1.455 0.460 0.822 1.000 0.833 CB 0.793 Z: 7 12.001 1.795 0.536 0.757 1.000 0.500 CA 1.415 7 residues pruned to eliminate duplicates Z: 8 14.632 1.948 0.336 0.745 1.000 1.000 CB 1.707 8 residues pruned to eliminate duplicates Z: 14 10.076 1.732 0.439 0.514 0.923 0.692 CB 1.198 10 residues pruned to eliminate duplicates Z: 7 3.676 1.510 0.354 0.478 0.833 0.667 CB 0.900 Z: 9 6.579 1.743 0.542 0.893 1.000 0.750 CB 0.621 Z: 16 12.868 1.664 1.090 0.516 0.733 0.600 CB 1.282 16 residues pruned to eliminate duplicates Z: 11 14.833 1.868 0.700 0.917 1.000 0.700 CB 1.043 Z: 6 9.043 1.881 0.975 0.639 0.800 0.600 CB 1.195 Z: 11 3.211 1.499 0.113 0.239 0.900 0.500 CB 0.915 5 residues pruned to eliminate duplicates Z: 19 7.519 1.658 0.415 0.362 0.778 0.444 CB 1.126 19 residues pruned to eliminate duplicates Z: 6 4.362 1.603 0.743 0.385 0.800 0.600 CB 0.986 Z: 7 2.556 1.496 0.663 0.321 0.667 0.500 CB 0.766 7 residues pruned to eliminate duplicates 6 1.631 1.497 0.825 0.113 0.600 0.200 N 0.726 ? Z: 13 21.346 1.930 0.421 0.924 1.000 1.000 CB 1.577 13 residues pruned to eliminate duplicates Z: 10 8.623 1.639 0.104 0.820 1.000 0.667 CB 1.203 11 residues pruned to eliminate duplicates Z: 12 16.656 1.777 0.551 0.807 1.000 0.636 CA 1.394 12 residues pruned to eliminate duplicates Z: 16 17.400 1.831 0.531 0.866 0.933 0.733 CB 1.257 16 residues pruned to eliminate duplicates Z: 8 3.922 1.661 0.466 0.375 0.857 0.571 CB 0.812 Z: 10 8.276 1.622 0.685 0.654 0.778 0.667 CB 1.124 7 residues pruned to eliminate duplicates 6 1.726 1.557 0.271 0.430 0.400 0.400 CA 1.048 ? 6 1.821 1.324 0.282 0.881 1.000 1.000 CB 0.347 ? Z: 16 12.363 1.640 0.329 0.897 1.000 0.800 CB 1.048 Z: 13 22.367 1.906 0.768 0.814 1.000 0.583 CA 1.458 13 residues pruned to eliminate duplicates 9 1.647 1.316 0.017 0.243 0.875 0.500 CB 0.669 ? Z: 10 21.642 1.827 0.971 0.852 1.000 0.778 CA 1.483 10 residues pruned to eliminate duplicates Z: 11 12.856 1.759 0.687 0.856 1.000 0.900 CB 1.010 10 residues pruned to eliminate duplicates Z: 13 14.541 1.767 0.710 0.875 0.917 0.833 CB 1.102 12 residues pruned to eliminate duplicates Z: 16 15.805 1.664 0.652 0.934 1.000 0.800 CB 1.035 16 residues pruned to eliminate duplicates Z: 31 13.446 1.735 0.591 0.496 0.867 0.600 CB 1.030 29 residues pruned to eliminate duplicates Z: 14 16.321 1.699 0.515 0.900 1.000 0.846 CB 1.256 13 residues pruned to eliminate duplicates Z: 15 10.274 1.688 0.527 0.467 0.857 0.500 CB 1.285 15 residues pruned to eliminate duplicates Z: 6 3.875 1.829 0.621 0.839 1.000 1.000 CB 0.436 Z: 21 13.866 1.812 0.580 0.491 0.800 0.600 CB 1.366 21 residues pruned to eliminate duplicates Z: 12 13.227 1.783 0.366 0.879 1.000 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 10 6.877 1.771 0.515 0.898 1.000 1.000 CB 0.611 9 residues pruned to eliminate duplicates Z: 16 17.430 1.838 0.588 0.910 0.933 0.933 CB 1.172 16 residues pruned to eliminate duplicates Z: 13 14.431 1.730 0.679 0.855 0.917 0.833 CB 1.155 13 residues pruned to eliminate duplicates Z: 11 9.534 1.673 0.257 0.901 0.900 0.800 CB 1.137 10 residues pruned to eliminate duplicates Z: 12 10.226 1.823 0.456 0.906 1.000 0.909 CB 0.826 12 residues pruned to eliminate duplicates Z: 14 14.322 1.687 0.752 0.845 0.923 0.692 CB 1.082 14 residues pruned to eliminate duplicates Z: 13 13.826 1.648 0.742 0.857 1.000 0.667 CB 1.024 13 residues pruned to eliminate duplicates Z: 13 16.029 1.699 0.571 0.897 1.000 1.000 CB 1.241 13 residues pruned to eliminate duplicates Z: 8 5.022 1.501 0.327 0.785 0.714 0.714 CB 1.038 Z: 6 4.869 1.833 0.409 0.543 0.800 0.400 CB 1.011 6 residues pruned to eliminate duplicates Z: 13 9.603 1.488 0.842 0.844 0.833 0.750 N 0.903 13 residues pruned to eliminate duplicates Z: 10 6.382 1.691 0.457 0.436 0.778 0.444 CB 1.187 5 residues pruned to eliminate duplicates Z: 12 7.675 1.757 0.346 0.373 1.000 0.636 CB 1.120 Z: 11 14.508 1.779 0.594 0.905 1.000 0.900 CB 1.152 11 residues pruned to eliminate duplicates Z: 18 15.184 1.657 0.697 0.647 0.941 0.588 CB 1.213 17 residues pruned to eliminate duplicates Z: 14 20.388 1.721 0.783 0.872 0.923 0.846 N 1.455 20 residues pruned to eliminate duplicates Z: 10 4.283 1.648 0.284 0.604 0.778 0.556 CB 0.785 10 residues pruned to eliminate duplicates Z: 13 11.887 1.491 0.564 0.918 1.000 0.833 CB 1.038 12 residues pruned to eliminate duplicates Z: 14 7.724 1.610 0.568 0.461 0.846 0.462 CB 1.044 Z: 13 10.692 1.606 0.233 0.856 1.000 0.750 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 8.467 1.645 0.326 0.914 1.000 1.000 CB 0.828 Z: 11 13.683 1.760 0.326 0.898 1.000 0.900 CB 1.327 11 residues pruned to eliminate duplicates Z: 7 4.880 1.553 0.513 0.521 0.833 0.167 CB 0.996 7 1.964 1.465 -0.199 0.358 0.833 0.333 O 0.957 ? Z: 10 17.533 1.806 0.882 0.745 1.000 0.667 N 1.381 10 residues pruned to eliminate duplicates Z: 9 3.272 1.514 0.433 0.393 0.875 0.500 CB 0.683 Z: 11 6.665 1.538 0.392 0.547 0.900 0.600 CB 1.044 Z: 8 9.750 1.766 0.953 0.469 0.857 0.714 CB 1.285 8 residues pruned to eliminate duplicates Z: 11 26.315 2.026 0.983 0.908 1.000 1.000 CB 1.471 11 residues pruned to eliminate duplicates Z: 28 11.538 1.733 0.415 0.464 0.926 0.630 CB 1.015 28 residues pruned to eliminate duplicates Z: 14 10.192 1.432 1.053 0.941 0.923 0.615 CB 0.723 Z: 12 12.338 1.796 0.147 0.849 1.000 0.636 CB 1.339 12 residues pruned to eliminate duplicates 6 1.865 1.334 0.729 0.297 0.600 0.400 CB 0.755 ? Z: 14 24.698 1.869 0.754 0.906 1.000 0.769 CB 1.486 17 residues pruned to eliminate duplicates Z: 19 11.906 1.724 0.441 0.862 0.889 0.667 CB 0.934 19 residues pruned to eliminate duplicates Z: 10 3.054 1.643 0.148 0.427 0.667 0.667 CB 0.873 Z: 11 4.708 1.372 0.303 0.434 0.800 0.300 CB 1.115 Z: 6 3.808 1.562 0.640 0.316 0.600 0.600 N 1.359 Z: 7 9.188 1.612 0.550 0.822 1.000 1.000 N 1.136 6 residues pruned to eliminate duplicates Z: 18 13.449 1.771 0.597 0.606 0.882 0.471 CB 1.183 18 residues pruned to eliminate duplicates Z: 20 16.525 1.832 0.615 0.600 0.895 0.684 CB 1.301 22 residues pruned to eliminate duplicates Z: 7 3.067 1.463 0.152 0.714 0.833 0.833 CB 0.734 Z: 13 14.818 1.829 0.401 0.852 0.917 0.750 CB 1.347 13 residues pruned to eliminate duplicates Z: 10 7.878 1.630 0.469 0.501 0.889 0.778 CB 1.233 10 residues pruned to eliminate duplicates Z: 6 4.112 1.440 0.619 0.493 0.800 0.800 CB 0.994 Z: 15 18.147 1.842 0.434 0.871 1.000 0.857 CB 1.340 15 residues pruned to eliminate duplicates Z: 11 9.796 1.580 0.496 0.802 1.000 0.700 CB 1.007 8 residues pruned to eliminate duplicates Z: 10 12.233 1.629 0.590 0.877 1.000 1.000 CB 1.143 Z: 12 8.582 1.559 0.219 0.735 0.909 0.545 CB 1.212 12 residues pruned to eliminate duplicates Z: 13 8.053 1.726 0.528 0.505 0.833 0.417 CB 1.053 16 residues pruned to eliminate duplicates Z: 6 5.040 1.447 0.496 0.580 1.000 0.600 CB 0.964 Z: 12 23.316 1.944 0.799 0.833 1.000 0.818 CA 1.508 12 residues pruned to eliminate duplicates Z: 9 8.158 1.537 0.864 0.276 1.000 0.750 N 1.298 Z: 17 16.651 1.631 0.699 0.916 1.000 0.875 CB 1.061 16 residues pruned to eliminate duplicates Z: 11 9.163 1.821 0.388 0.679 0.800 0.600 CB 1.215 11 residues pruned to eliminate duplicates Z: 8 4.580 1.468 0.676 0.402 0.857 0.286 CB 0.910 7 1.853 1.324 0.131 0.290 1.000 0.500 CB 0.640 ? Z: 10 7.211 1.540 0.390 0.832 0.889 0.889 CB 0.948 Z: 8 10.480 1.517 0.730 0.875 1.000 0.714 CB 1.098 Z: 6 7.145 1.686 0.320 0.674 1.000 0.800 CB 1.223 Z: 6 2.468 1.200 0.437 0.860 0.600 0.600 O 0.785 6 residues pruned to eliminate duplicates Z: 13 12.548 1.616 0.489 0.809 0.917 0.917 CB 1.255 13 residues pruned to eliminate duplicates Z: 17 7.840 1.599 0.428 0.429 0.750 0.500 CB 1.232 Z: 15 14.430 1.815 0.176 0.923 1.000 0.929 CB 1.270 15 residues pruned to eliminate duplicates Z: 11 17.916 1.882 0.519 0.896 1.000 0.900 CB 1.419 11 residues pruned to eliminate duplicates Z: 6 3.852 1.658 -0.127 0.816 1.000 0.600 CB 0.904 Z: 12 19.183 1.879 0.407 0.922 1.000 0.909 CB 1.539 12 residues pruned to eliminate duplicates Z: 24 20.434 1.711 0.638 0.922 0.913 0.652 CB 1.170 24 residues pruned to eliminate duplicates Z: 6 2.218 1.433 0.225 0.532 0.800 0.800 CB 0.685 Z: 14 10.683 1.747 0.332 0.881 0.923 0.692 CB 0.999 14 residues pruned to eliminate duplicates Z: 13 12.842 1.722 0.579 0.775 0.917 0.667 CB 1.166 13 residues pruned to eliminate duplicates Z: 10 5.070 1.535 0.463 0.281 0.889 0.333 CB 1.085 6 residues pruned to eliminate duplicates Z: 21 10.312 1.551 0.455 0.472 0.850 0.550 CB 1.237 7 residues pruned to eliminate duplicates Z: 8 5.274 1.524 0.077 0.884 1.000 1.000 CB 0.877 8 residues pruned to eliminate duplicates Z: 10 4.509 1.511 0.461 0.842 1.000 0.889 CB 0.508 8 residues pruned to eliminate duplicates Z: 12 3.495 1.669 0.136 0.425 0.636 0.455 CB 0.943 12 residues pruned to eliminate duplicates Z: 15 15.156 1.663 0.560 0.862 0.857 0.786 CB 1.337 15 residues pruned to eliminate duplicates Z: 16 12.996 1.799 0.852 0.496 0.933 0.733 CB 1.084 16 residues pruned to eliminate duplicates Z: 9 3.635 1.546 0.478 0.845 0.875 0.750 CB 0.478 Z: 8 4.689 1.579 0.657 0.584 0.857 0.714 CB 0.729 7 residues pruned to eliminate duplicates Z: 26 7.832 1.739 0.372 0.193 0.840 0.360 CB 1.128 26 residues pruned to eliminate duplicates Z: 13 7.393 1.492 0.509 0.519 0.833 0.667 CB 1.116 6 1.552 1.363 0.367 0.391 0.600 0.400 CB 0.697 ? Z: 16 8.035 1.710 0.686 0.913 1.000 0.800 CB 0.510 Z: 7 12.387 1.904 0.641 0.822 1.000 0.833 CB 1.225 7 residues pruned to eliminate duplicates Z: 11 12.415 1.681 0.486 0.820 1.000 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 21 18.605 1.670 0.678 0.907 1.000 0.850 CB 1.055 21 residues pruned to eliminate duplicates Z: 12 17.565 1.651 0.741 0.858 1.000 0.818 CB 1.356 11 residues pruned to eliminate duplicates Z: 6 2.270 1.390 0.309 0.481 0.600 0.400 C 0.948 Z: 12 11.964 1.615 0.362 0.888 1.000 1.000 CB 1.182 11 residues pruned to eliminate duplicates Z: 7 6.421 1.778 0.388 0.787 1.000 0.667 CB 0.825 6 residues pruned to eliminate duplicates Z: 11 16.693 1.774 0.518 0.908 1.000 0.900 CB 1.392 11 residues pruned to eliminate duplicates Z: 17 12.726 1.709 0.829 0.614 0.875 0.625 CB 1.044 22 residues pruned to eliminate duplicates Z: 9 11.855 1.555 0.612 0.915 1.000 1.000 CB 1.181 9 residues pruned to eliminate duplicates Z: 17 13.191 1.565 0.471 0.917 1.000 0.938 CB 1.011 17 residues pruned to eliminate duplicates Z: 9 10.159 1.563 0.552 0.859 1.000 0.875 CB 1.090 8 residues pruned to eliminate duplicates Z: 19 15.457 1.673 0.716 0.681 0.889 0.722 CB 1.209 14 residues pruned to eliminate duplicates Z: 8 4.248 1.635 0.714 0.764 1.000 0.857 CB 0.453 6 residues pruned to eliminate duplicates Z: 10 15.402 1.681 0.871 0.829 1.000 0.778 CB 1.228 23 residues pruned to eliminate duplicates Z: 11 9.031 1.945 0.428 0.719 0.900 0.700 CB 0.937 11 residues pruned to eliminate duplicates Z: 8 4.749 1.425 0.181 0.621 1.000 0.714 CB 0.952 Z: 14 11.786 1.742 0.491 0.870 0.923 0.692 CB 0.995 14 residues pruned to eliminate duplicates Z: 6 7.501 1.593 0.628 0.754 0.800 0.800 CB 1.289 Z: 15 14.908 1.687 0.654 0.905 1.000 0.786 CB 1.016 16 residues pruned to eliminate duplicates Z: 7 2.631 1.519 0.322 0.351 0.667 0.333 CB 0.943 Z: 13 24.089 1.803 0.792 0.854 1.000 0.583 N 1.590 13 residues pruned to eliminate duplicates Z: 12 11.781 1.670 0.439 0.868 1.000 0.727 CB 1.080 11 residues pruned to eliminate duplicates Z: 13 9.159 1.522 0.329 0.920 1.000 0.833 CB 0.920 13 residues pruned to eliminate duplicates Z: 8 6.338 1.698 0.361 0.743 0.857 0.857 CB 0.972 8 residues pruned to eliminate duplicates Z: 6 3.298 1.457 0.323 0.122 1.000 0.600 CB 1.231 Z: 13 11.538 1.693 0.363 0.918 1.000 1.000 CB 1.018 13 residues pruned to eliminate duplicates Z: 10 4.710 1.398 0.367 0.402 0.778 0.556 O 1.171 Z: 8 8.102 1.722 0.548 0.471 1.000 0.714 CB 1.183 8 residues pruned to eliminate duplicates Z: 8 7.622 1.622 0.504 0.598 1.000 0.714 CB 1.076 Z: 10 9.505 1.684 0.513 0.554 0.889 0.444 CA 1.328 10 residues pruned to eliminate duplicates Z: 10 8.118 1.627 0.421 0.814 1.000 0.889 CB 0.891 10 residues pruned to eliminate duplicates Z: 18 12.496 1.513 0.387 0.894 1.000 0.941 CB 1.036 4 residues pruned to eliminate duplicates Z: 6 2.089 1.580 0.862 0.877 1.000 1.000 CB 0.231 Z: 12 13.937 1.699 0.598 0.787 1.000 0.636 CA 1.202 12 residues pruned to eliminate duplicates Z: 6 9.688 1.793 0.656 0.845 0.800 0.600 CB 1.357 6 residues pruned to eliminate duplicates Z: 16 12.663 1.576 0.624 0.905 1.000 0.733 CB 0.909 16 residues pruned to eliminate duplicates Z: 13 14.828 1.656 0.636 0.852 1.000 0.667 CB 1.169 13 residues pruned to eliminate duplicates 6 1.718 1.247 0.256 0.872 1.000 0.800 CB 0.358 ? Z: 18 12.976 1.470 0.729 0.862 0.882 0.412 CB 1.030 17 residues pruned to eliminate duplicates Z: 8 2.394 1.342 0.681 0.212 0.571 0.429 O 0.986 Z: 23 23.182 1.795 0.618 0.907 1.000 0.818 CB 1.209 23 residues pruned to eliminate duplicates Z: 7 4.080 1.432 1.054 0.773 0.833 0.667 CB 0.534 7 residues pruned to eliminate duplicates Z: 13 9.832 1.530 0.775 0.840 1.000 0.667 CB 0.780 13 residues pruned to eliminate duplicates Z: 13 17.311 1.782 0.495 0.889 1.000 0.917 CB 1.351 13 residues pruned to eliminate duplicates Z: 7 3.861 1.453 0.731 0.360 0.667 0.667 CB 1.092 Z: 9 9.121 1.764 0.221 0.881 1.000 1.000 CB 1.084 9 residues pruned to eliminate duplicates Z: 9 8.317 1.570 0.748 0.459 1.000 0.500 CB 1.117 Z: 7 5.490 1.657 1.181 0.434 0.667 0.500 CB 0.996 Z: 13 15.979 1.821 0.325 0.907 1.000 0.917 CB 1.358 13 residues pruned to eliminate duplicates Z: 11 11.150 1.648 0.452 0.844 0.900 0.600 CB 1.218 11 residues pruned to eliminate duplicates Z: 8 8.501 1.465 0.599 0.771 1.000 0.571 CA 1.079 Z: 19 7.598 1.491 0.582 0.377 0.833 0.444 CB 1.039 19 residues pruned to eliminate duplicates Z: 9 2.948 1.376 0.688 0.316 0.625 0.375 CB 0.880 Z: 10 15.871 1.759 0.764 0.828 1.000 0.778 CB 1.283 10 residues pruned to eliminate duplicates Z: 9 6.300 1.673 -0.014 0.839 1.000 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 7 4.392 1.417 0.300 0.671 0.833 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 11 5.582 1.604 0.489 0.408 0.700 0.600 CB 1.163 7 residues pruned to eliminate duplicates Z: 10 6.190 1.517 0.536 0.836 1.000 0.889 CB 0.663 9 residues pruned to eliminate duplicates Z: 11 6.005 1.715 0.377 0.898 1.000 1.000 CB 0.575 10 residues pruned to eliminate duplicates Z: 15 8.719 1.772 0.617 0.361 0.857 0.571 CB 1.102 8 residues pruned to eliminate duplicates Z: 14 13.170 1.843 0.482 0.866 1.000 0.846 CB 0.980 14 residues pruned to eliminate duplicates Z: 10 10.896 1.656 0.917 0.638 0.889 0.778 CB 1.131 12 residues pruned to eliminate duplicates Z: 12 11.757 1.703 0.564 0.854 0.909 0.818 CB 1.082 12 residues pruned to eliminate duplicates Z: 18 15.910 1.867 0.440 0.767 0.941 0.824 CB 1.204 14 residues pruned to eliminate duplicates Z: 6 6.103 1.541 0.588 0.555 0.800 0.400 N 1.322 Z: 6 4.541 1.674 0.586 0.453 0.800 0.400 CB 1.003 5 residues pruned to eliminate duplicates Z: 9 3.446 1.662 0.089 0.282 0.750 0.500 CB 1.147 7 1.919 1.341 -0.092 0.401 0.833 0.500 CB 0.858 ? Z: 6 2.677 1.505 0.223 0.621 0.800 0.400 CB 0.725 Z: 9 6.815 1.540 0.703 0.802 0.875 0.625 CB 0.806 Z: 7 6.355 1.706 0.119 0.756 1.000 0.833 CB 1.082 6 residues pruned to eliminate duplicates Z: 11 3.202 1.588 0.247 0.201 0.700 0.400 CB 1.042 11 residues pruned to eliminate duplicates Z: 13 17.679 1.682 0.713 0.915 1.000 0.917 CB 1.252 13 residues pruned to eliminate duplicates Z: 10 4.330 1.876 0.235 0.388 0.667 0.444 CB 1.053 10 residues pruned to eliminate duplicates Z: 14 13.005 1.621 0.648 0.805 0.923 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 10 8.544 1.606 0.175 0.771 1.000 0.889 CB 1.187 10 residues pruned to eliminate duplicates Z: 12 10.961 1.615 0.497 0.879 1.000 0.364 CB 0.991 12 residues pruned to eliminate duplicates Z: 21 10.556 1.721 0.474 0.514 0.900 0.550 CB 1.019 17 residues pruned to eliminate duplicates Z: 12 8.255 1.765 0.305 0.522 1.000 0.727 CB 1.057 12 residues pruned to eliminate duplicates Z: 6 7.982 1.685 1.037 0.655 1.000 0.800 CB 0.900 Z: 16 15.650 1.745 0.759 0.856 1.000 0.667 CB 0.971 17 residues pruned to eliminate duplicates Z: 15 19.393 1.903 0.398 0.900 1.000 0.786 CB 1.391 13 residues pruned to eliminate duplicates 6 1.915 1.054 1.104 0.609 1.000 0.400 CB 0.348 ? Z: 12 9.952 1.768 0.295 0.863 1.000 0.909 CB 0.961 12 residues pruned to eliminate duplicates Z: 10 7.828 1.510 0.363 0.879 1.000 0.889 CB 0.919 9 residues pruned to eliminate duplicates Z: 6 7.578 1.717 0.538 0.833 0.800 0.800 CB 1.204 6 residues pruned to eliminate duplicates Z: 7 2.688 1.546 0.353 0.302 0.667 0.333 CB 0.981 Z: 11 10.885 1.661 0.438 0.902 1.000 0.900 CB 1.028 9 residues pruned to eliminate duplicates Z: 13 11.090 1.852 0.322 0.698 0.917 0.917 CB 1.191 14 residues pruned to eliminate duplicates Z: 6 3.383 1.691 0.255 0.801 1.000 1.000 CB 0.548 6 residues pruned to eliminate duplicates Z: 19 18.801 1.770 0.767 0.571 1.000 0.611 CB 1.324 17 residues pruned to eliminate duplicates Z: 13 16.367 1.714 0.360 0.924 1.000 0.917 CB 1.423 12 residues pruned to eliminate duplicates Z: 7 3.488 1.491 0.565 0.318 0.667 0.333 CB 1.119 Z: 10 17.366 1.778 0.848 0.814 0.889 0.778 CA 1.508 10 residues pruned to eliminate duplicates Z: 13 10.114 1.548 0.394 0.855 1.000 0.667 CB 0.999 13 residues pruned to eliminate duplicates Z: 6 5.432 1.681 0.462 0.859 1.000 1.000 CB 0.728 Z: 13 9.876 1.762 0.175 0.864 0.917 0.750 CB 1.101 13 residues pruned to eliminate duplicates Z: 12 10.944 1.539 0.571 0.846 1.000 0.909 CB 1.014 12 residues pruned to eliminate duplicates Z: 6 6.383 1.914 0.492 0.472 1.000 0.800 CB 1.028 8 residues pruned to eliminate duplicates Z: 14 15.281 1.864 0.528 0.890 1.000 0.846 CB 1.071 14 residues pruned to eliminate duplicates Z: 25 10.261 1.473 0.296 0.814 0.917 0.625 CB 0.911 25 residues pruned to eliminate duplicates Z: 11 11.637 1.753 0.240 0.871 1.000 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 7 5.157 1.220 0.859 0.633 1.000 0.667 O 0.819 Z: 10 6.430 1.404 0.540 0.503 0.889 0.667 O 1.112 7 residues pruned to eliminate duplicates Z: 7 3.853 1.629 0.403 0.397 0.667 0.667 CB 1.150 Z: 6 6.215 1.626 0.575 0.589 0.800 0.600 CB 1.246 Z: 7 3.545 1.521 0.106 0.491 0.833 0.667 N 1.043 7 residues pruned to eliminate duplicates Z: 25 17.691 1.637 0.532 0.904 0.958 0.833 CB 1.070 25 residues pruned to eliminate duplicates Z: 13 3.997 1.375 0.341 0.379 0.833 0.583 CB 0.854 13 residues pruned to eliminate duplicates Z: 8 5.133 1.539 0.174 0.565 0.857 0.571 N 1.176 Z: 18 14.407 1.729 0.492 0.873 0.941 0.647 CB 1.048 19 residues pruned to eliminate duplicates Z: 9 4.605 1.569 0.359 0.343 0.875 0.375 CB 1.035 7 residues pruned to eliminate duplicates Z: 13 7.875 1.571 0.192 0.763 0.833 0.667 CB 1.153 13 residues pruned to eliminate duplicates Z: 10 7.047 1.636 0.652 0.761 1.000 0.556 CB 0.689 Z: 10 12.334 1.823 0.198 0.874 1.000 0.778 CA 1.371 10 residues pruned to eliminate duplicates Z: 33 14.347 1.714 0.405 0.687 0.875 0.594 CB 1.014 33 residues pruned to eliminate duplicates Z: 7 6.467 1.947 0.530 0.650 0.833 0.833 CB 0.924 7 residues pruned to eliminate duplicates Z: 12 5.818 1.509 0.697 0.695 0.818 0.545 CB 0.701 Z: 6 2.129 1.460 0.238 0.333 0.600 0.400 CB 1.053 Z: 9 7.375 1.360 0.635 0.815 1.000 0.500 CB 0.892 8 residues pruned to eliminate duplicates Z: 13 15.713 1.563 0.702 0.858 1.000 0.417 CB 1.255 13 residues pruned to eliminate duplicates Z: 7 6.149 1.486 0.386 0.596 1.000 0.500 N 1.113 6 residues pruned to eliminate duplicates Z: 21 13.097 1.523 0.505 0.906 0.950 0.900 CB 0.957 21 residues pruned to eliminate duplicates Z: 6 6.489 1.556 0.407 0.718 1.000 0.800 CB 1.088 Z: 10 12.521 1.714 0.565 0.834 0.889 0.778 CB 1.313 10 residues pruned to eliminate duplicates Z: 9 12.924 1.741 0.560 0.897 1.000 1.000 CB 1.205 9 residues pruned to eliminate duplicates Z: 12 16.384 1.814 0.571 0.841 1.000 0.909 CA 1.293 12 residues pruned to eliminate duplicates Z: 14 12.755 1.819 0.635 0.705 0.923 0.846 CB 1.069 14 residues pruned to eliminate duplicates Z: 25 26.794 1.806 0.682 0.915 1.000 0.917 CB 1.272 31 residues pruned to eliminate duplicates Z: 7 9.341 1.866 0.393 0.887 1.000 1.000 CB 1.058 7 residues pruned to eliminate duplicates Z: 6 2.098 1.015 0.209 0.699 0.800 0.600 CB 0.797 Z: 8 4.309 1.499 0.616 0.423 1.000 0.571 CB 0.728 Z: 9 5.741 1.569 0.509 0.718 0.875 0.500 CB 0.804 9 residues pruned to eliminate duplicates Z: 20 10.648 1.677 0.416 0.598 0.842 0.632 CB 1.113 20 residues pruned to eliminate duplicates Z: 9 4.722 1.296 0.742 0.836 1.000 0.625 CB 0.554 Z: 9 7.299 1.526 0.284 0.829 1.000 1.000 CB 0.991 Z: 7 3.303 1.349 0.088 0.586 1.000 0.500 CB 0.846 Z: 8 2.683 1.567 0.399 0.314 0.714 0.429 CB 0.795 Z: 6 2.522 1.438 0.610 0.422 0.800 0.600 CB 0.660 6 residues pruned to eliminate duplicates Z: 9 9.873 1.728 0.534 0.892 0.875 0.750 CB 1.081 9 residues pruned to eliminate duplicates Z: 9 4.161 1.678 0.362 0.815 0.875 0.500 CB 0.560 Z: 12 5.473 1.390 0.143 0.843 1.000 0.727 CB 0.774 11 residues pruned to eliminate duplicates Z: 13 19.863 1.887 0.568 0.896 0.917 0.750 CB 1.515 18 residues pruned to eliminate duplicates Z: 10 5.303 1.769 0.355 0.378 0.778 0.556 CB 1.079 10 residues pruned to eliminate duplicates Z: 6 5.181 1.760 0.365 0.539 1.000 0.400 CB 0.927 6 residues pruned to eliminate duplicates 6 1.459 1.187 0.223 0.299 0.800 0.400 N 0.703 ? Z: 10 10.040 1.593 0.630 0.832 1.000 0.444 CB 0.967 Z: 9 4.297 1.455 0.074 0.405 0.875 0.500 O 1.228 9 residues pruned to eliminate duplicates Z: 11 5.982 1.575 0.632 0.368 1.000 0.600 CB 0.848 11 residues pruned to eliminate duplicates Z: 6 4.832 1.537 0.444 0.462 0.800 0.400 N 1.265 Z: 8 6.287 1.525 0.441 0.721 1.000 0.571 CB 0.886 Z: 12 17.002 1.829 0.764 0.880 1.000 0.727 CB 1.152 12 residues pruned to eliminate duplicates Z: 13 8.967 1.345 0.350 0.765 1.000 0.583 CB 1.127 Z: 15 6.151 1.523 0.386 0.399 0.857 0.500 CB 1.010 12 residues pruned to eliminate duplicates Z: 7 2.482 1.565 -0.188 0.329 0.833 0.333 CB 1.153 Z: 6 4.380 1.740 0.648 0.862 1.000 0.800 CB 0.502 Z: 8 8.357 1.416 0.900 0.792 1.000 0.714 CB 0.909 8 residues pruned to eliminate duplicates Z: 9 4.788 1.544 0.330 0.491 0.875 0.375 CB 0.951 8 residues pruned to eliminate duplicates Z: 7 7.089 1.407 0.482 0.796 1.000 0.667 N 1.071 Z: 6 2.747 1.562 0.630 0.291 0.600 0.400 CB 1.016 Z: 19 15.468 1.725 0.306 0.927 1.000 0.944 CB 1.135 25 residues pruned to eliminate duplicates Z: 10 5.089 1.518 0.524 0.322 0.778 0.444 CB 1.147 6 1.657 1.247 0.070 0.300 1.000 0.400 CB 0.694 ? Z: 6 2.275 1.570 0.531 0.296 0.600 0.600 CB 0.886 Z: 9 8.881 1.509 0.599 0.899 1.000 0.750 CB 0.930 10 residues pruned to eliminate duplicates Z: 16 22.241 1.810 0.574 0.905 1.000 0.933 CB 1.434 16 residues pruned to eliminate duplicates Z: 29 13.254 1.657 0.628 0.601 0.821 0.464 CB 1.027 29 residues pruned to eliminate duplicates Z: 11 9.354 1.523 0.255 0.925 1.000 1.000 CB 1.087 9 residues pruned to eliminate duplicates Z: 20 8.843 1.682 0.212 0.579 0.895 0.632 CB 1.031 20 residues pruned to eliminate duplicates Z: 6 6.783 1.368 0.861 0.666 1.000 0.800 CA 1.021 Z: 12 3.482 1.539 0.254 0.347 0.545 0.455 CB 1.177 13 residues pruned to eliminate duplicates Z: 18 12.248 1.625 0.751 0.543 0.882 0.647 CB 1.135 14 residues pruned to eliminate duplicates Z: 11 10.771 1.598 0.719 0.750 0.900 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 6 2.760 1.580 0.434 0.842 0.800 0.800 CB 0.507 5 residues pruned to eliminate duplicates Z: 24 13.286 1.620 0.551 0.930 1.000 0.783 CB 0.771 30 residues pruned to eliminate duplicates Z: 10 5.665 1.515 0.270 0.416 0.889 0.556 CB 1.205 Z: 10 6.876 1.564 0.070 0.916 1.000 1.000 CB 0.967 10 residues pruned to eliminate duplicates Z: 6 5.523 1.500 0.490 0.460 1.000 0.600 N 1.151 Z: 14 3.479 1.456 0.322 0.366 0.769 0.385 CB 0.753 Z: 8 8.492 1.591 0.557 0.852 1.000 1.000 CB 0.959 8 residues pruned to eliminate duplicates Z: 12 8.135 1.443 0.592 0.842 1.000 0.727 CB 0.796 12 residues pruned to eliminate duplicates Z: 6 4.016 1.110 0.758 0.647 1.000 0.600 C 0.802 Z: 7 9.053 1.635 0.566 0.866 1.000 1.000 CB 1.057 7 residues pruned to eliminate duplicates Z: 13 11.090 1.448 0.682 0.881 0.917 0.750 CB 1.038 13 residues pruned to eliminate duplicates Z: 8 9.805 1.699 0.278 0.706 1.000 0.714 CA 1.416 6 1.544 1.646 -0.273 0.729 0.800 0.800 CB 0.587 ? Z: 13 19.598 1.841 0.575 0.908 1.000 0.917 CB 1.386 13 residues pruned to eliminate duplicates Z: 10 7.932 1.637 0.415 0.877 1.000 0.889 CB 0.829 10 residues pruned to eliminate duplicates Z: 11 3.020 1.596 0.170 0.321 0.700 0.400 CB 0.890 Z: 10 3.629 1.507 0.265 0.158 0.778 0.222 O 1.239 10 residues pruned to eliminate duplicates Z: 12 3.528 1.529 0.687 0.393 0.818 0.636 CB 0.565 Z: 9 3.062 1.490 0.465 0.175 0.750 0.375 CB 0.979 Z: 13 7.634 1.526 0.770 0.405 0.833 0.333 CB 1.082 Z: 6 4.222 1.482 0.609 0.482 0.800 0.600 CB 1.008 Z: 9 5.883 1.603 0.676 0.377 0.750 0.625 N 1.177 Z: 9 8.769 1.524 0.495 0.812 1.000 1.000 CB 1.036 9 residues pruned to eliminate duplicates Z: 15 5.677 1.652 0.611 0.326 0.643 0.357 CB 1.073 15 residues pruned to eliminate duplicates Z: 25 18.423 1.635 0.509 0.916 0.958 0.833 CB 1.123 25 residues pruned to eliminate duplicates Z: 12 19.557 1.851 0.533 0.906 1.000 1.000 CB 1.478 12 residues pruned to eliminate duplicates Z: 15 7.148 1.637 0.540 0.433 0.786 0.571 CB 1.034 16 residues pruned to eliminate duplicates Z: 11 7.926 1.493 0.348 0.870 1.000 0.900 CB 0.909 10 residues pruned to eliminate duplicates Z: 17 7.919 1.412 0.643 0.878 0.875 0.625 CB 0.708 14 residues pruned to eliminate duplicates Z: 14 16.177 1.679 0.454 0.894 1.000 0.923 CB 1.319 14 residues pruned to eliminate duplicates Z: 26 9.830 1.579 0.422 0.381 0.800 0.440 N 1.242 22 residues pruned to eliminate duplicates Z: 10 3.354 1.543 0.216 0.309 0.778 0.556 CB 0.948 10 residues pruned to eliminate duplicates 8 1.586 1.290 0.149 0.280 0.571 0.429 CB 0.906 ? Z: 12 10.331 1.526 0.796 0.860 0.909 0.545 CB 0.919 11 residues pruned to eliminate duplicates Z: 12 15.129 1.670 0.548 0.869 0.909 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 6 3.384 1.335 0.267 0.502 1.000 0.600 N 0.893 Z: 7 9.154 1.545 0.461 0.846 1.000 1.000 O 1.229 7 residues pruned to eliminate duplicates Z: 10 8.114 1.412 0.882 0.757 1.000 0.667 CA 0.810 8 residues pruned to eliminate duplicates Z: 20 5.705 1.539 0.517 0.411 0.737 0.421 CB 0.835 20 residues pruned to eliminate duplicates Z: 12 9.218 1.577 0.545 0.801 0.909 0.545 CB 0.964 12 residues pruned to eliminate duplicates Z: 6 3.425 1.637 0.135 0.280 1.000 0.400 O 1.057 Z: 6 4.301 1.514 0.457 0.779 1.000 0.800 CB 0.682 Z: 10 6.366 1.520 0.062 0.908 1.000 1.000 CB 0.933 9 residues pruned to eliminate duplicates Z: 6 3.901 1.313 0.748 0.472 0.800 0.400 N 0.977 Z: 6 3.910 1.204 1.173 0.862 0.800 0.600 CB 0.613 Z: 15 22.745 1.826 0.543 0.913 1.000 0.857 CB 1.526 15 residues pruned to eliminate duplicates Z: 6 2.512 1.605 0.434 0.846 1.000 0.800 CB 0.363 Z: 21 11.182 1.651 0.492 0.622 0.900 0.400 CB 1.005 21 residues pruned to eliminate duplicates Z: 15 7.286 1.478 0.664 0.839 0.857 0.643 CB 0.690 15 residues pruned to eliminate duplicates Z: 6 3.314 1.381 0.866 0.523 0.800 0.600 CB 0.703 Z: 11 8.966 1.669 0.813 0.677 0.900 0.700 CB 0.884 19 residues pruned to eliminate duplicates Z: 15 17.150 1.715 0.761 0.903 0.929 0.714 CB 1.165 15 residues pruned to eliminate duplicates Z: 7 2.514 1.260 0.511 0.446 0.667 0.333 O 0.854 Z: 18 7.219 1.563 0.443 0.871 0.941 0.824 CB 0.602 18 residues pruned to eliminate duplicates 8 1.941 1.392 0.373 0.226 0.714 0.286 CB 0.740 ? Z: 10 7.227 1.593 0.378 0.601 0.889 0.556 CB 1.121 10 residues pruned to eliminate duplicates Z: 17 18.666 1.557 0.755 0.928 1.000 1.000 CB 1.196 17 residues pruned to eliminate duplicates Z: 11 14.689 1.751 0.675 0.774 0.900 0.700 CB 1.382 11 residues pruned to eliminate duplicates Z: 12 6.018 1.661 0.085 0.557 1.000 0.727 CB 0.953 9 residues pruned to eliminate duplicates Z: 9 2.619 1.441 0.273 0.133 0.875 0.250 N 0.911 Z: 10 2.770 1.471 0.510 0.160 0.667 0.222 O 0.945 6 residues pruned to eliminate duplicates Z: 12 23.341 1.924 0.673 0.918 1.000 0.909 CB 1.541 13 residues pruned to eliminate duplicates Z: 7 3.116 1.498 0.488 0.877 1.000 0.667 CB 0.414 Z: 13 15.871 1.752 0.430 0.866 1.000 0.917 CB 1.339 13 residues pruned to eliminate duplicates 6 1.775 1.434 -0.059 0.838 1.000 0.800 CB 0.439 ? Z: 8 2.965 1.585 0.052 0.434 0.714 0.286 CB 1.007 Z: 15 14.425 1.776 0.850 0.858 0.786 0.286 CB 1.100 15 residues pruned to eliminate duplicates Z: 7 2.506 1.482 0.673 0.788 1.000 0.833 CB 0.320 8 residues pruned to eliminate duplicates Z: 8 6.782 1.717 0.514 0.702 0.857 0.857 CA 0.956 8 residues pruned to eliminate duplicates Z: 8 13.855 1.630 0.854 0.891 1.000 0.714 CB 1.246 9 residues pruned to eliminate duplicates Z: 10 3.855 1.542 0.484 0.355 0.556 0.556 CB 1.182 6 1.756 1.521 0.305 0.387 0.600 0.400 CB 0.744 ? Z: 9 8.113 1.458 0.498 0.836 1.000 1.000 CB 0.983 9 residues pruned to eliminate duplicates Z: 8 4.557 1.529 0.380 0.348 0.857 0.571 O 1.123 Z: 9 8.034 1.597 0.300 0.840 1.000 1.000 CB 1.021 9 residues pruned to eliminate duplicates 6 0.689 1.166 0.123 0.296 0.600 0.600 N 0.493 ? Z: 8 2.466 1.214 0.439 0.276 0.714 0.429 O 0.962 Z: 9 2.044 1.421 0.327 0.310 0.875 0.500 CB 0.540 Z: 6 3.200 1.500 0.488 0.816 1.000 1.000 CB 0.487 6 residues pruned to eliminate duplicates Z: 6 3.874 1.613 0.399 0.499 1.000 0.800 CB 0.769 Z: 8 2.391 1.240 0.231 0.405 0.714 0.429 CB 0.916 Z: 8 3.795 1.793 0.283 0.767 1.000 0.857 CB 0.492 6 residues pruned to eliminate duplicates Z: 7 2.732 1.377 0.408 0.466 1.000 0.667 CB 0.596 Z: 7 6.599 1.462 0.292 0.801 1.000 0.833 CB 1.096 6 residues pruned to eliminate duplicates Z: 9 5.726 1.394 0.552 0.488 1.000 0.250 CB 0.947 8 residues pruned to eliminate duplicates Z: 9 2.504 1.414 0.329 0.306 0.625 0.375 CB 0.935 Z: 13 4.066 1.428 0.627 0.307 0.667 0.333 N 0.939 Z: 9 2.994 1.650 0.341 0.062 0.750 0.375 CB 1.134 2 residues pruned to eliminate duplicates Z: 13 11.116 1.791 0.116 0.906 1.000 1.000 CB 1.142 13 residues pruned to eliminate duplicates Z: 7 9.456 1.669 0.527 0.708 1.000 0.667 CB 1.254 7 residues pruned to eliminate duplicates Z: 9 3.721 1.229 0.433 0.472 0.875 0.500 CB 0.878 Z: 18 11.683 1.517 0.521 0.930 1.000 0.882 CB 0.859 18 residues pruned to eliminate duplicates Z: 14 13.365 1.555 0.580 0.873 1.000 0.769 O 1.099 14 residues pruned to eliminate duplicates Z: 13 6.494 1.520 0.307 0.761 0.917 0.417 CB 0.816 13 residues pruned to eliminate duplicates Z: 11 12.735 1.586 0.590 0.908 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 19 16.285 1.733 0.491 0.917 1.000 0.944 CB 1.048 19 residues pruned to eliminate duplicates 8 1.885 1.508 -0.115 0.355 0.714 0.714 CB 0.874 ? Z: 13 8.928 1.599 0.297 0.501 0.917 0.667 N 1.356 11 residues pruned to eliminate duplicates Z: 15 12.247 1.578 0.600 0.858 1.000 0.643 CB 0.955 15 residues pruned to eliminate duplicates Z: 10 3.757 1.744 0.008 0.270 0.889 0.444 CB 1.040 12 residues pruned to eliminate duplicates Z: 7 2.019 1.282 0.580 0.245 0.833 0.667 N 0.655 6 1.511 1.361 0.749 0.159 0.600 0.400 N 0.718 ? Z: 14 9.818 1.619 0.713 0.554 0.769 0.538 CB 1.211 20 residues pruned to eliminate duplicates Z: 6 3.190 1.562 0.050 0.349 1.000 0.800 CA 1.025 Z: 6 2.193 1.216 0.638 0.186 0.800 0.400 O 0.897 Z: 9 4.764 1.445 0.476 0.452 0.875 0.125 CB 0.948 6 residues pruned to eliminate duplicates Z: 6 2.181 1.381 0.316 0.294 0.800 0.600 N 0.844 Z: 6 3.428 1.569 0.200 0.448 0.800 0.800 CB 1.073 Z: 8 3.435 1.538 0.669 0.785 0.857 0.429 N 0.459 8 residues pruned to eliminate duplicates Z: 8 12.447 1.773 0.890 0.848 1.000 0.571 CB 1.041 8 residues pruned to eliminate duplicates Z: 13 11.303 1.703 0.433 0.828 1.000 0.667 CB 1.006 13 residues pruned to eliminate duplicates Z: 6 3.670 1.429 0.236 0.656 1.000 0.600 CB 0.804 Z: 15 12.046 1.729 0.288 0.802 0.929 0.643 CB 1.196 15 residues pruned to eliminate duplicates 6 1.241 1.091 0.499 0.271 0.600 0.400 N 0.733 ? Z: 12 3.967 1.585 0.219 0.402 0.727 0.364 CB 0.943 7 residues pruned to eliminate duplicates Z: 8 10.011 1.842 -0.037 0.873 1.000 1.000 O 1.554 8 residues pruned to eliminate duplicates Z: 7 5.721 1.627 0.642 0.674 1.000 0.667 CB 0.745 Z: 6 2.228 1.446 0.146 0.451 0.800 0.800 CB 0.790 Z: 14 18.103 1.669 0.888 0.840 1.000 0.538 CB 1.190 13 residues pruned to eliminate duplicates Z: 12 8.271 1.463 0.585 0.794 0.909 0.636 CB 0.914 11 residues pruned to eliminate duplicates Z: 7 7.499 1.552 0.905 0.655 1.000 0.833 CB 0.896 Z: 6 6.465 1.612 0.597 0.745 1.000 0.800 CB 0.902 6 residues pruned to eliminate duplicates Z: 14 12.221 1.758 0.404 0.876 0.923 0.692 CB 1.081 10 residues pruned to eliminate duplicates Z: 6 5.581 1.457 0.615 0.483 1.000 0.600 N 1.079 Z: 11 3.474 1.462 0.322 0.224 0.800 0.400 CB 0.981 Z: 11 8.686 1.634 0.504 0.716 0.700 0.500 CB 1.313 11 residues pruned to eliminate duplicates Z: 9 4.532 1.573 0.663 0.800 0.875 0.750 CB 0.538 9 residues pruned to eliminate duplicates Z: 7 5.214 1.429 0.288 0.826 0.833 0.667 N 1.046 6 residues pruned to eliminate duplicates Z: 23 16.993 1.601 0.689 0.864 0.955 0.727 CB 1.029 23 residues pruned to eliminate duplicates Z: 8 6.664 1.382 0.390 0.770 1.000 0.857 CB 1.032 Z: 19 17.472 1.782 0.794 0.619 0.833 0.500 N 1.382 19 residues pruned to eliminate duplicates Z: 28 18.353 1.765 0.674 0.607 0.926 0.667 CB 1.166 28 residues pruned to eliminate duplicates Z: 14 9.657 1.642 0.474 0.495 0.923 0.615 CB 1.205 32 residues pruned to eliminate duplicates Z: 10 3.635 1.489 0.526 0.264 0.667 0.333 CB 1.048 Z: 6 2.550 1.505 0.014 0.385 0.800 0.600 CB 1.056 Z: 14 8.119 1.610 0.001 0.916 1.000 1.000 CB 0.987 14 residues pruned to eliminate duplicates Z: 26 14.290 1.725 0.561 0.622 0.840 0.600 CB 1.127 14 residues pruned to eliminate duplicates Z: 6 6.869 1.452 0.322 0.821 1.000 1.000 O 1.211 Z: 10 4.129 1.445 0.646 0.745 0.667 0.333 CB 0.697 10 residues pruned to eliminate duplicates Z: 18 9.506 1.573 0.682 0.760 0.824 0.412 CB 0.840 18 residues pruned to eliminate duplicates Z: 7 5.178 1.406 0.605 0.495 1.000 0.833 O 0.941 8 residues pruned to eliminate duplicates Z: 6 2.156 1.299 0.422 0.400 0.800 0.400 CB 0.725 Z: 6 3.312 1.410 0.228 0.643 0.800 0.800 CB 0.936 6 residues pruned to eliminate duplicates Z: 11 3.388 1.267 0.155 0.235 1.000 0.300 O 0.995 8 residues pruned to eliminate duplicates Z: 6 4.339 1.569 0.551 0.477 0.800 0.600 CA 1.021 6 residues pruned to eliminate duplicates Z: 6 5.310 1.778 0.742 0.363 0.600 0.400 N 1.481 Z: 7 4.206 1.538 0.125 0.456 1.000 0.667 CB 1.038 Z: 13 12.433 1.651 0.459 0.863 0.917 0.833 CB 1.193 13 residues pruned to eliminate duplicates Z: 9 3.595 1.751 0.201 0.823 0.875 0.875 CB 0.522 9 residues pruned to eliminate duplicates Z: 8 6.409 1.363 0.437 0.798 1.000 0.429 N 0.953 Z: 9 2.332 1.410 0.572 0.514 0.875 0.625 CB 0.419 Z: 12 8.227 1.415 0.690 0.778 0.909 0.727 CB 0.893 6 residues pruned to eliminate duplicates Z: 13 6.780 1.667 -0.028 0.884 1.000 0.667 CB 0.872 13 residues pruned to eliminate duplicates Z: 9 3.653 1.712 0.263 0.360 1.000 0.500 CB 0.695 Z: 6 4.054 1.243 1.022 0.520 0.800 0.400 N 0.884 Using tripeptides from previous cycle as seeds Z: 15 12.341 1.616 0.564 0.899 1.000 0.714 CB 0.933 15 residues pruned to eliminate duplicates Z: 10 10.724 1.642 0.627 0.782 1.000 0.667 CB 1.043 10 residues pruned to eliminate duplicates Z: 13 8.590 1.602 0.709 0.736 0.667 0.417 CB 1.099 13 residues pruned to eliminate duplicates Z: 13 9.724 1.609 0.497 0.611 1.000 0.500 CB 1.049 13 residues pruned to eliminate duplicates Z: 12 12.726 1.752 0.467 0.902 1.000 0.727 CB 1.064 12 residues pruned to eliminate duplicates Z: 15 11.520 1.650 0.539 0.753 0.857 0.571 CB 1.129 15 residues pruned to eliminate duplicates Z: 11 14.647 1.840 0.676 0.884 1.000 0.900 CB 1.085 11 residues pruned to eliminate duplicates Z: 14 15.464 1.717 0.716 0.868 0.923 0.692 CB 1.153 14 residues pruned to eliminate duplicates Z: 15 15.537 1.646 0.653 0.933 1.000 0.786 CB 1.065 14 residues pruned to eliminate duplicates Z: 13 13.710 1.721 0.702 0.918 0.917 0.667 CB 1.040 13 residues pruned to eliminate duplicates Z: 14 13.778 1.744 0.619 0.862 0.923 0.846 CB 1.076 14 residues pruned to eliminate duplicates Z: 16 17.997 1.691 0.671 0.818 1.000 0.800 CB 1.247 16 residues pruned to eliminate duplicates Z: 14 16.979 1.809 0.663 0.752 0.923 0.615 CB 1.355 14 residues pruned to eliminate duplicates Z: 13 14.504 1.787 0.467 0.791 0.917 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 12 16.876 1.789 0.454 0.891 1.000 1.000 CB 1.407 12 residues pruned to eliminate duplicates Z: 14 13.675 1.770 0.726 0.668 0.769 0.538 N 1.381 14 residues pruned to eliminate duplicates Z: 13 17.854 1.790 0.632 0.912 1.000 0.917 CB 1.250 13 residues pruned to eliminate duplicates Z: 14 15.648 1.766 0.716 0.784 0.923 0.615 N 1.209 14 residues pruned to eliminate duplicates Z: 13 16.118 1.816 0.738 0.785 0.917 0.583 N 1.252 13 residues pruned to eliminate duplicates Z: 14 15.265 1.795 0.655 0.790 1.000 0.615 CB 1.105 14 residues pruned to eliminate duplicates Z: 17 17.135 1.807 0.472 0.891 1.000 0.875 CB 1.158 17 residues pruned to eliminate duplicates Z: 18 17.128 1.754 0.601 0.861 0.941 0.706 CB 1.155 18 residues pruned to eliminate duplicates Z: 19 22.125 1.738 0.786 0.921 1.000 0.889 CB 1.182 19 residues pruned to eliminate duplicates Z: 8 8.729 1.615 0.501 0.855 1.000 1.000 CB 1.004 8 residues pruned to eliminate duplicates Z: 20 18.452 1.682 0.744 0.926 0.947 0.737 CB 1.068 20 residues pruned to eliminate duplicates Z: 20 18.573 1.718 0.639 0.918 1.000 0.789 CB 1.068 20 residues pruned to eliminate duplicates Z: 19 19.333 1.738 0.784 0.901 1.000 0.722 CB 1.049 19 residues pruned to eliminate duplicates Z: 18 19.775 1.746 0.774 0.926 1.000 0.882 CB 1.086 18 residues pruned to eliminate duplicates Z: 10 3.880 1.492 0.472 0.385 0.778 0.556 CB 0.856 Z: 6 2.591 1.227 0.732 0.258 0.800 0.400 CB 0.898 Z: 8 7.886 1.439 0.639 0.568 1.000 0.286 CB 1.183 8 residues pruned to eliminate duplicates Z: 11 14.371 1.714 0.529 0.846 1.000 0.900 N 1.288 11 residues pruned to eliminate duplicates Z: 11 12.196 1.673 0.314 0.857 1.000 0.900 N 1.293 11 residues pruned to eliminate duplicates Z: 15 9.471 1.727 0.365 0.577 1.000 0.571 CB 0.997 15 residues pruned to eliminate duplicates Z: 10 11.702 1.783 0.459 0.778 0.889 0.889 CB 1.320 10 residues pruned to eliminate duplicates Z: 12 8.924 1.784 0.161 0.714 1.000 0.818 CB 1.070 12 residues pruned to eliminate duplicates Z: 11 9.010 1.722 0.306 0.720 0.900 0.900 CB 1.153 11 residues pruned to eliminate duplicates Z: 15 9.702 1.718 0.450 0.538 0.786 0.643 CB 1.276 15 residues pruned to eliminate duplicates Z: 13 7.591 1.666 0.194 0.636 0.833 0.750 CB 1.164 13 residues pruned to eliminate duplicates Z: 10 10.731 1.717 0.316 0.794 0.889 0.889 N 1.376 10 residues pruned to eliminate duplicates Z: 15 11.785 1.734 0.451 0.690 1.000 0.786 CB 1.052 10 residues pruned to eliminate duplicates Z: 13 10.904 1.704 0.306 0.738 0.917 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 18 11.757 1.768 0.491 0.564 0.941 0.647 CB 1.081 18 residues pruned to eliminate duplicates Z: 20 12.648 1.727 0.485 0.538 1.000 0.684 CB 1.090 21 residues pruned to eliminate duplicates Z: 8 5.568 1.176 0.694 0.518 1.000 1.000 N 1.037 Z: 11 11.405 1.647 0.168 0.881 1.000 1.000 CB 1.358 11 residues pruned to eliminate duplicates Z: 10 13.493 1.652 0.482 0.844 1.000 0.778 CB 1.366 10 residues pruned to eliminate duplicates Z: 18 12.641 1.738 0.364 0.693 0.882 0.706 CB 1.229 18 residues pruned to eliminate duplicates Z: 11 6.568 1.398 0.401 0.745 1.000 0.500 CB 0.852 11 residues pruned to eliminate duplicates Z: 21 12.497 1.748 0.372 0.610 0.900 0.750 CB 1.167 22 residues pruned to eliminate duplicates Z: 10 11.078 1.629 0.281 0.860 1.000 1.000 CB 1.301 10 residues pruned to eliminate duplicates Z: 22 8.977 1.701 0.320 0.590 0.810 0.619 CB 0.989 22 residues pruned to eliminate duplicates Z: 19 13.551 1.756 0.476 0.695 0.889 0.722 CB 1.160 18 residues pruned to eliminate duplicates Z: 12 13.151 1.605 0.583 0.786 0.909 0.727 CB 1.335 11 residues pruned to eliminate duplicates Z: 14 10.383 1.657 0.518 0.775 0.923 0.769 CB 0.973 12 residues pruned to eliminate duplicates Z: 14 12.515 1.586 0.641 0.737 0.846 0.538 CB 1.275 14 residues pruned to eliminate duplicates Z: 11 11.561 1.802 0.409 0.758 1.000 0.800 CB 1.145 11 residues pruned to eliminate duplicates Z: 15 9.935 1.592 0.374 0.644 1.000 0.500 CB 1.061 15 residues pruned to eliminate duplicates Z: 23 13.456 1.753 0.467 0.570 0.955 0.682 CB 1.092 14 residues pruned to eliminate duplicates Z: 12 8.670 1.834 0.407 0.855 1.000 0.818 CB 0.747 12 residues pruned to eliminate duplicates Z: 20 10.796 1.660 0.734 0.517 0.789 0.474 CB 1.071 15 residues pruned to eliminate duplicates Z: 14 11.165 1.740 0.517 0.797 1.000 0.769 CB 0.904 14 residues pruned to eliminate duplicates Z: 13 10.293 1.846 0.566 0.723 0.917 0.583 CB 0.916 13 residues pruned to eliminate duplicates Z: 12 8.980 1.828 0.536 0.751 0.818 0.545 CB 0.942 12 residues pruned to eliminate duplicates Z: 14 9.192 1.720 0.533 0.716 0.923 0.538 CB 0.861 14 residues pruned to eliminate duplicates Z: 15 10.988 1.789 0.787 0.641 0.929 0.357 CB 0.867 15 residues pruned to eliminate duplicates Z: 24 11.917 1.724 0.597 0.471 0.826 0.478 CB 1.125 24 residues pruned to eliminate duplicates Z: 21 15.025 1.757 0.829 0.574 0.950 0.600 CB 1.025 23 residues pruned to eliminate duplicates 6 1.524 1.085 0.927 0.428 0.800 0.600 N 0.439 ? Z: 8 5.961 1.360 0.815 0.490 0.857 0.286 CB 1.076 Z: 13 10.120 1.616 0.238 0.860 0.917 0.833 CB 1.172 13 residues pruned to eliminate duplicates Z: 12 11.317 1.749 0.543 0.793 1.000 0.909 CB 0.978 12 residues pruned to eliminate duplicates Z: 25 17.779 1.721 0.525 0.738 0.958 0.500 CB 1.166 32 residues pruned to eliminate duplicates Z: 15 10.670 1.647 0.431 0.885 0.929 0.643 CB 0.940 15 residues pruned to eliminate duplicates Z: 27 14.288 1.642 0.481 0.605 0.923 0.538 CB 1.130 27 residues pruned to eliminate duplicates Z: 16 12.351 1.685 0.603 0.742 1.000 0.467 CB 0.951 16 residues pruned to eliminate duplicates Z: 13 11.872 1.643 0.743 0.773 1.000 0.667 CB 0.940 13 residues pruned to eliminate duplicates Z: 9 9.279 1.753 0.618 0.774 0.875 0.625 CB 1.038 9 residues pruned to eliminate duplicates Z: 11 10.749 1.678 0.745 0.863 0.900 0.300 CB 0.946 11 residues pruned to eliminate duplicates Z: 14 12.337 1.644 0.727 0.646 0.923 0.231 CB 1.140 14 residues pruned to eliminate duplicates Z: 21 16.555 1.711 0.681 0.658 0.900 0.600 CB 1.235 21 residues pruned to eliminate duplicates Z: 20 12.163 1.575 0.546 0.701 0.895 0.579 CB 1.066 20 residues pruned to eliminate duplicates Z: 23 18.328 1.687 0.750 0.731 0.955 0.409 CB 1.127 23 residues pruned to eliminate duplicates Z: 12 6.420 1.402 0.214 0.606 0.909 0.364 N 1.131 12 residues pruned to eliminate duplicates Z: 21 14.696 1.701 0.610 0.707 0.800 0.500 CB 1.243 21 residues pruned to eliminate duplicates Z: 13 9.041 1.713 0.507 0.516 0.833 0.583 CB 1.194 13 residues pruned to eliminate duplicates Z: 9 8.726 1.586 0.453 0.665 0.875 0.500 CB 1.313 9 residues pruned to eliminate duplicates Z: 23 17.922 1.708 0.736 0.759 0.909 0.545 CB 1.125 23 residues pruned to eliminate duplicates Z: 12 8.401 1.650 0.483 0.576 0.818 0.364 CB 1.176 12 residues pruned to eliminate duplicates Z: 12 10.299 1.728 0.496 0.604 0.818 0.545 CB 1.330 12 residues pruned to eliminate duplicates Z: 14 9.168 1.633 0.484 0.569 0.769 0.615 CB 1.276 14 residues pruned to eliminate duplicates Z: 13 13.381 1.846 0.439 0.745 0.917 0.583 CB 1.274 13 residues pruned to eliminate duplicates Z: 17 16.370 1.716 0.676 0.699 0.938 0.625 CB 1.266 13 residues pruned to eliminate duplicates Z: 13 18.584 1.793 0.665 0.897 1.000 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 14 13.179 1.792 0.448 0.720 0.846 0.769 CB 1.365 14 residues pruned to eliminate duplicates Z: 17 11.495 1.680 0.548 0.614 0.875 0.438 CB 1.133 17 residues pruned to eliminate duplicates Z: 13 16.175 1.777 0.480 0.830 1.000 0.750 CB 1.335 13 residues pruned to eliminate duplicates Z: 13 19.579 1.776 0.612 0.844 1.000 0.917 CB 1.469 13 residues pruned to eliminate duplicates Z: 16 11.754 1.640 0.392 0.695 0.867 0.667 CB 1.283 16 residues pruned to eliminate duplicates Z: 15 16.876 1.729 0.579 0.696 1.000 0.786 CB 1.381 15 residues pruned to eliminate duplicates Z: 14 17.233 1.788 0.691 0.794 0.923 0.769 CB 1.323 15 residues pruned to eliminate duplicates Z: 25 20.625 1.786 0.468 0.914 1.000 0.875 CB 1.136 25 residues pruned to eliminate duplicates Z: 14 14.813 1.844 0.430 0.832 0.923 0.769 CB 1.267 14 residues pruned to eliminate duplicates Z: 14 17.732 1.815 0.616 0.858 1.000 0.769 CB 1.235 14 residues pruned to eliminate duplicates Z: 14 17.910 1.779 0.567 0.841 1.000 0.769 CB 1.329 14 residues pruned to eliminate duplicates Z: 15 16.706 1.690 0.652 0.854 1.000 0.857 CB 1.182 15 residues pruned to eliminate duplicates Z: 16 15.162 1.732 0.743 0.777 0.933 0.667 CB 1.088 16 residues pruned to eliminate duplicates Z: 13 17.443 1.735 0.791 0.879 0.917 0.583 CB 1.282 13 residues pruned to eliminate duplicates Z: 14 14.914 1.706 0.687 0.823 1.000 0.692 CB 1.087 14 residues pruned to eliminate duplicates Z: 15 11.258 1.693 0.641 0.687 0.857 0.286 CB 1.065 15 residues pruned to eliminate duplicates Z: 25 13.099 1.564 0.660 0.709 0.875 0.667 CB 0.973 25 residues pruned to eliminate duplicates Z: 26 26.371 1.738 0.745 0.892 1.000 0.800 CB 1.249 26 residues pruned to eliminate duplicates Z: 25 24.471 1.768 0.750 0.896 0.917 0.542 CB 1.261 25 residues pruned to eliminate duplicates Z: 16 15.731 1.745 0.599 0.834 0.933 0.733 CB 1.169 16 residues pruned to eliminate duplicates Z: 9 5.644 1.472 0.930 0.476 0.750 0.625 N 0.960 9 residues pruned to eliminate duplicates Z: 27 23.509 1.693 0.837 0.882 0.962 0.808 CB 1.116 27 residues pruned to eliminate duplicates Z: 26 22.673 1.705 0.827 0.894 0.960 0.560 CB 1.088 26 residues pruned to eliminate duplicates Z: 20 13.982 1.638 0.589 0.742 0.895 0.737 CB 1.109 18 residues pruned to eliminate duplicates Z: 22 30.582 1.836 0.860 0.926 1.000 0.762 CB 1.371 36 residues pruned to eliminate duplicates Z: 24 29.923 1.844 0.803 0.916 1.000 0.913 CB 1.325 24 residues pruned to eliminate duplicates Z: 24 17.416 1.721 0.703 0.785 0.870 0.652 CB 1.108 24 residues pruned to eliminate duplicates Z: 21 21.383 1.789 0.923 0.787 0.900 0.650 CB 1.199 21 residues pruned to eliminate duplicates Z: 26 21.440 1.699 0.820 0.863 0.920 0.520 CB 1.105 26 residues pruned to eliminate duplicates Z: 18 8.631 1.587 0.500 0.679 0.824 0.471 CB 0.906 18 residues pruned to eliminate duplicates Z: 8 7.988 1.604 0.337 0.734 0.857 0.714 CB 1.332 7 residues pruned to eliminate duplicates Z: 10 7.934 1.567 0.408 0.777 0.778 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 13 7.125 1.605 0.203 0.541 0.833 0.417 CB 1.228 13 residues pruned to eliminate duplicates Z: 14 8.952 1.602 0.250 0.629 0.846 0.615 CB 1.297 15 residues pruned to eliminate duplicates Z: 8 8.358 1.547 0.542 0.663 0.857 0.714 CB 1.329 8 residues pruned to eliminate duplicates Z: 14 9.388 1.614 0.308 0.611 0.846 0.615 CB 1.313 14 residues pruned to eliminate duplicates Z: 11 13.155 1.590 0.565 0.838 1.000 0.600 CB 1.250 11 residues pruned to eliminate duplicates Z: 31 16.714 1.716 0.390 0.644 0.900 0.600 CB 1.243 31 residues pruned to eliminate duplicates Z: 11 10.337 1.656 0.192 0.741 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 12 15.423 1.742 0.407 0.922 1.000 0.545 CA 1.333 11 residues pruned to eliminate duplicates Z: 11 16.608 1.774 0.495 0.894 1.000 0.700 CA 1.420 11 residues pruned to eliminate duplicates Z: 13 11.840 1.585 0.367 0.854 0.917 0.500 N 1.271 13 residues pruned to eliminate duplicates Z: 17 8.218 1.582 0.272 0.607 0.875 0.688 CB 1.054 12 residues pruned to eliminate duplicates Z: 11 13.251 1.679 0.431 0.920 0.900 0.500 N 1.365 11 residues pruned to eliminate duplicates Z: 13 9.781 1.641 0.226 0.727 0.917 0.750 CB 1.247 15 residues pruned to eliminate duplicates Z: 11 12.774 1.737 0.490 0.866 0.900 0.700 N 1.270 11 residues pruned to eliminate duplicates Z: 16 9.671 1.644 0.669 0.607 0.867 0.667 CB 0.949 16 residues pruned to eliminate duplicates Z: 12 9.679 1.634 0.597 0.860 0.818 0.636 CB 1.005 12 residues pruned to eliminate duplicates Z: 12 15.733 1.671 0.760 0.883 1.000 0.636 CB 1.166 14 residues pruned to eliminate duplicates Z: 13 14.593 1.642 0.586 0.894 1.000 0.750 N 1.161 12 residues pruned to eliminate duplicates Z: 15 7.852 1.348 0.601 0.859 0.929 0.786 CB 0.771 19 residues pruned to eliminate duplicates Z: 10 9.982 1.361 0.702 0.862 1.000 0.889 CB 1.055 10 residues pruned to eliminate duplicates Z: 8 4.946 1.309 0.960 0.801 1.000 0.429 CB 0.560 8 residues pruned to eliminate duplicates Z: 6 4.461 1.520 0.670 0.667 0.800 0.800 CB 0.842 6 residues pruned to eliminate duplicates Z: 6 4.031 1.441 0.733 0.489 0.800 0.600 CB 0.913 6 residues pruned to eliminate duplicates Z: 10 3.983 1.483 0.185 0.379 0.778 0.333 CB 1.105 Z: 17 14.305 1.731 0.567 0.789 0.938 0.625 CB 1.091 17 residues pruned to eliminate duplicates Z: 9 4.643 1.646 0.262 0.465 0.750 0.500 CB 1.092 9 residues pruned to eliminate duplicates Z: 8 5.008 1.796 0.476 0.396 0.571 0.429 N 1.394 13 residues pruned to eliminate duplicates Z: 17 18.316 1.770 0.505 0.880 1.000 0.688 CB 1.245 22 residues pruned to eliminate duplicates Z: 16 18.312 1.736 0.735 0.886 1.000 0.867 CB 1.133 15 residues pruned to eliminate duplicates Z: 15 18.505 1.854 0.762 0.933 1.000 0.857 CB 1.056 15 residues pruned to eliminate duplicates Z: 14 18.377 1.857 0.879 0.841 0.923 0.538 CB 1.180 14 residues pruned to eliminate duplicates Z: 16 18.506 1.868 0.673 0.802 0.933 0.733 CB 1.259 16 residues pruned to eliminate duplicates Z: 17 20.155 1.810 0.747 0.819 0.938 0.688 CB 1.289 17 residues pruned to eliminate duplicates Z: 18 15.361 1.778 0.610 0.748 0.824 0.647 CB 1.267 18 residues pruned to eliminate duplicates Z: 18 20.292 1.769 0.659 0.789 1.000 0.647 CB 1.301 18 residues pruned to eliminate duplicates Z: 16 24.174 1.766 0.882 0.912 1.000 0.867 CB 1.329 16 residues pruned to eliminate duplicates Z: 17 20.187 1.763 0.683 0.911 1.000 0.750 CB 1.206 17 residues pruned to eliminate duplicates Z: 14 18.839 1.885 0.722 0.934 1.000 0.923 CB 1.123 14 residues pruned to eliminate duplicates Z: 16 16.331 1.758 0.813 0.780 0.933 0.400 CB 1.108 14 residues pruned to eliminate duplicates Z: 17 19.203 1.779 0.706 0.914 1.000 0.875 CB 1.119 19 residues pruned to eliminate duplicates Z: 15 20.922 1.788 0.956 0.898 1.000 0.571 CB 1.144 15 residues pruned to eliminate duplicates Z: 8 4.617 1.610 0.670 0.490 0.857 0.429 CB 0.764 8 residues pruned to eliminate duplicates Z: 9 9.307 1.625 0.765 0.546 1.000 0.625 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 4.209 1.509 0.461 0.419 1.000 0.400 CB 0.929 6 residues pruned to eliminate duplicates Z: 14 4.133 1.397 0.548 0.326 0.769 0.385 CB 0.834 14 residues pruned to eliminate duplicates Z: 15 18.440 1.899 0.440 0.855 0.929 0.714 CB 1.432 15 residues pruned to eliminate duplicates Z: 15 22.718 1.868 0.577 0.864 1.000 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 14 20.279 1.907 0.380 0.897 1.000 1.000 CB 1.530 14 residues pruned to eliminate duplicates Z: 14 12.821 1.894 0.111 0.824 0.923 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 15 16.509 1.869 0.373 0.814 0.929 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 12 19.201 1.861 0.634 0.823 0.909 0.818 CB 1.584 12 residues pruned to eliminate duplicates Z: 13 18.756 1.936 0.515 0.892 0.917 0.917 CB 1.447 13 residues pruned to eliminate duplicates Z: 12 16.114 1.830 0.480 0.837 0.909 0.909 N 1.476 12 residues pruned to eliminate duplicates Z: 20 14.019 1.797 0.357 0.641 0.842 0.684 CB 1.373 20 residues pruned to eliminate duplicates Z: 15 18.376 1.853 0.413 0.833 0.929 0.929 CB 1.516 15 residues pruned to eliminate duplicates Z: 14 18.971 1.944 0.338 0.901 1.000 0.923 CB 1.444 14 residues pruned to eliminate duplicates Z: 16 14.853 1.798 0.465 0.772 0.867 0.800 N 1.321 16 residues pruned to eliminate duplicates Z: 18 16.282 1.762 0.402 0.741 0.941 0.647 CB 1.368 18 residues pruned to eliminate duplicates Z: 19 19.022 1.787 0.637 0.759 0.944 0.667 CB 1.289 19 residues pruned to eliminate duplicates Z: 7 9.385 1.897 0.587 0.575 1.000 0.667 CB 1.184 7 residues pruned to eliminate duplicates Z: 23 10.856 1.592 0.747 0.409 0.864 0.500 N 1.060 23 residues pruned to eliminate duplicates Z: 11 7.646 1.780 0.639 0.427 0.800 0.800 N 1.117 11 residues pruned to eliminate duplicates Z: 10 6.698 1.814 0.817 0.361 0.778 0.556 CB 1.012 10 residues pruned to eliminate duplicates Z: 11 5.264 1.714 0.693 0.320 0.900 0.500 CB 0.778 11 residues pruned to eliminate duplicates Z: 18 19.393 1.837 0.976 0.635 0.882 0.647 CB 1.294 23 residues pruned to eliminate duplicates Z: 12 19.433 1.810 0.944 0.775 0.909 0.818 CA 1.436 11 residues pruned to eliminate duplicates Z: 10 18.092 1.882 0.601 0.866 1.000 1.000 CA 1.466 10 residues pruned to eliminate duplicates Z: 17 18.092 1.772 0.671 0.662 1.000 0.562 CA 1.315 17 residues pruned to eliminate duplicates Z: 15 19.358 1.823 0.920 0.751 0.929 0.786 CB 1.272 15 residues pruned to eliminate duplicates Z: 19 16.096 1.809 0.635 0.596 0.944 0.722 CB 1.240 19 residues pruned to eliminate duplicates Z: 9 15.778 1.833 0.881 0.873 0.875 0.875 N 1.347 9 residues pruned to eliminate duplicates Z: 13 20.178 1.806 0.789 0.736 1.000 0.667 CA 1.458 13 residues pruned to eliminate duplicates Z: 13 18.907 1.857 0.840 0.821 0.917 0.833 CA 1.319 13 residues pruned to eliminate duplicates Z: 26 15.161 1.650 0.741 0.547 0.920 0.680 CB 1.097 26 residues pruned to eliminate duplicates Z: 9 25.893 1.890 1.270 0.825 1.000 0.875 CA 1.610 9 residues pruned to eliminate duplicates Z: 6 3.919 1.625 0.635 0.765 0.800 0.600 CB 0.652 Z: 7 4.200 1.345 0.536 0.793 1.000 0.500 CB 0.642 6 residues pruned to eliminate duplicates Z: 19 19.006 1.762 0.554 0.935 1.000 0.944 CB 1.140 19 residues pruned to eliminate duplicates Z: 24 16.254 1.671 0.588 0.880 1.000 0.652 CB 0.925 24 residues pruned to eliminate duplicates Z: 26 16.929 1.678 0.483 0.905 1.000 0.720 CB 0.969 26 residues pruned to eliminate duplicates Z: 19 19.713 1.777 0.678 0.922 1.000 0.889 CB 1.096 19 residues pruned to eliminate duplicates Z: 20 19.383 1.754 0.761 0.936 1.000 0.842 CB 1.003 20 residues pruned to eliminate duplicates Z: 21 14.025 1.713 0.672 0.781 0.900 0.450 CB 0.950 21 residues pruned to eliminate duplicates Z: 20 14.378 1.694 0.705 0.897 0.947 0.632 CB 0.863 20 residues pruned to eliminate duplicates Z: 17 12.663 1.793 0.683 0.771 0.812 0.562 CB 1.016 17 residues pruned to eliminate duplicates Z: 17 16.371 1.822 0.625 0.854 1.000 0.625 CB 1.021 17 residues pruned to eliminate duplicates Z: 12 9.898 1.717 0.762 0.796 1.000 0.455 CB 0.761 12 residues pruned to eliminate duplicates Z: 16 12.499 1.792 0.622 0.857 1.000 0.600 CB 0.818 16 residues pruned to eliminate duplicates Z: 18 18.279 1.782 0.753 0.886 0.941 0.765 CB 1.088 17 residues pruned to eliminate duplicates Z: 16 13.583 1.777 0.680 0.841 1.000 0.667 CB 0.876 16 residues pruned to eliminate duplicates Z: 18 16.046 1.778 0.660 0.811 0.941 0.471 CB 1.068 18 residues pruned to eliminate duplicates Z: 17 16.539 1.768 0.822 0.903 1.000 0.688 CB 0.915 17 residues pruned to eliminate duplicates Z: 18 17.969 1.721 0.834 0.910 1.000 0.588 CB 0.979 17 residues pruned to eliminate duplicates Z: 17 13.675 1.755 0.706 0.875 1.000 0.812 CB 0.831 17 residues pruned to eliminate duplicates Z: 16 17.612 1.814 0.703 0.919 1.000 0.733 CB 1.037 16 residues pruned to eliminate duplicates Z: 18 21.876 1.799 0.815 0.896 1.000 0.824 CB 1.163 18 residues pruned to eliminate duplicates Z: 19 17.354 1.697 0.750 0.893 1.000 0.611 CB 0.988 19 residues pruned to eliminate duplicates Z: 9 6.922 1.483 0.711 0.490 1.000 0.500 CB 0.975 9 residues pruned to eliminate duplicates Z: 6 5.603 1.488 0.605 0.377 1.000 0.600 N 1.196 6 residues pruned to eliminate duplicates Z: 9 2.500 1.618 0.026 0.299 0.875 0.250 CB 0.762 9 residues pruned to eliminate duplicates Z: 30 16.648 1.725 0.516 0.606 0.931 0.586 CB 1.147 30 residues pruned to eliminate duplicates Z: 14 2.665 1.575 0.212 0.182 0.769 0.538 CB 0.738 17 residues pruned to eliminate duplicates Z: 6 2.661 1.334 0.338 0.296 1.000 0.800 N 0.837 6 residues pruned to eliminate duplicates Z: 16 9.464 1.740 0.639 0.409 0.933 0.600 CB 1.010 15 residues pruned to eliminate duplicates Z: 10 6.561 1.640 0.421 0.671 1.000 0.222 CB 0.801 10 residues pruned to eliminate duplicates Z: 22 15.834 1.718 0.557 0.548 0.952 0.571 CB 1.294 19 residues pruned to eliminate duplicates Z: 9 9.700 1.664 0.494 0.821 0.875 0.625 N 1.193 9 residues pruned to eliminate duplicates Z: 8 11.582 1.746 0.737 0.817 0.857 0.857 N 1.279 8 residues pruned to eliminate duplicates Z: 17 13.238 1.796 0.605 0.598 0.938 0.688 CB 1.115 17 residues pruned to eliminate duplicates Z: 18 10.460 1.677 0.567 0.593 0.882 0.647 CB 1.001 18 residues pruned to eliminate duplicates Z: 16 10.318 1.758 0.557 0.636 0.867 0.733 CB 0.989 16 residues pruned to eliminate duplicates Z: 17 10.185 1.735 0.438 0.534 0.875 0.562 CB 1.128 17 residues pruned to eliminate duplicates Z: 19 12.505 1.724 0.645 0.550 0.944 0.556 CB 1.048 23 residues pruned to eliminate duplicates Z: 13 13.751 1.732 0.814 0.693 0.917 0.583 N 1.155 13 residues pruned to eliminate duplicates Z: 17 11.186 1.743 0.563 0.537 0.938 0.688 CB 1.056 17 residues pruned to eliminate duplicates Z: 22 13.881 1.718 0.668 0.464 0.905 0.619 CB 1.212 22 residues pruned to eliminate duplicates Z: 6 3.224 1.276 0.683 0.382 1.000 0.800 N 0.762 Z: 12 16.457 1.734 0.442 0.857 1.000 0.909 CA 1.463 12 residues pruned to eliminate duplicates Z: 11 4.652 1.620 0.273 0.509 0.700 0.600 CB 1.010 11 residues pruned to eliminate duplicates Z: 18 13.520 1.636 0.610 0.677 0.941 0.765 CB 1.124 13 residues pruned to eliminate duplicates Z: 13 19.368 1.739 0.916 0.836 0.917 0.583 CB 1.370 13 residues pruned to eliminate duplicates Z: 18 13.337 1.625 0.628 0.652 0.941 0.588 CB 1.127 18 residues pruned to eliminate duplicates Z: 10 20.313 1.885 0.797 0.814 1.000 0.444 CB 1.521 10 residues pruned to eliminate duplicates Z: 22 13.384 1.694 0.675 0.563 0.857 0.476 CB 1.130 22 residues pruned to eliminate duplicates Z: 11 16.194 1.693 1.124 0.679 0.900 0.500 CB 1.342 11 residues pruned to eliminate duplicates Z: 20 19.684 1.703 0.954 0.638 0.895 0.737 CB 1.332 28 residues pruned to eliminate duplicates Z: 7 14.912 1.624 1.151 0.729 1.000 0.500 CA 1.418 7 residues pruned to eliminate duplicates Z: 16 15.384 1.615 0.798 0.679 0.933 0.600 CB 1.243 16 residues pruned to eliminate duplicates Z: 12 11.603 1.819 0.644 0.463 0.909 0.364 CB 1.337 14 residues pruned to eliminate duplicates Z: 12 14.876 1.889 0.449 0.741 0.909 0.727 CB 1.452 12 residues pruned to eliminate duplicates Z: 20 16.191 1.884 0.545 0.653 0.947 0.737 CB 1.168 20 residues pruned to eliminate duplicates Z: 21 17.958 1.909 0.821 0.587 0.900 0.650 CB 1.180 21 residues pruned to eliminate duplicates Z: 22 17.067 1.888 0.614 0.557 0.952 0.619 CB 1.214 22 residues pruned to eliminate duplicates Z: 23 13.121 1.844 0.562 0.535 0.818 0.591 CB 1.148 23 residues pruned to eliminate duplicates Z: 21 12.294 1.852 0.540 0.578 0.850 0.550 CB 1.052 21 residues pruned to eliminate duplicates Z: 23 13.016 1.805 0.621 0.547 0.909 0.591 CB 0.996 23 residues pruned to eliminate duplicates Z: 23 17.928 1.807 0.682 0.530 0.955 0.636 CB 1.279 23 residues pruned to eliminate duplicates Z: 13 20.099 1.809 0.947 0.790 0.917 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 21 14.920 1.882 0.612 0.570 0.900 0.550 CB 1.142 21 residues pruned to eliminate duplicates Z: 14 11.704 1.741 0.892 0.531 1.000 0.692 CB 0.956 14 residues pruned to eliminate duplicates Z: 21 15.558 1.883 0.584 0.565 0.950 0.500 CB 1.152 21 residues pruned to eliminate duplicates Z: 21 18.575 1.894 0.746 0.588 0.950 0.600 CB 1.215 21 residues pruned to eliminate duplicates Z: 14 6.745 1.675 0.474 0.339 0.923 0.462 CB 0.979 14 residues pruned to eliminate duplicates Z: 9 3.214 1.514 0.290 0.387 0.875 0.375 CB 0.749 9 residues pruned to eliminate duplicates 6 1.642 1.258 0.814 0.418 0.600 0.400 CB 0.584 ? Z: 13 6.441 1.704 0.519 0.399 0.750 0.500 CB 1.066 6 residues pruned to eliminate duplicates Z: 6 3.046 1.326 0.480 0.403 1.000 0.800 CB 0.769 6 residues pruned to eliminate duplicates Z: 22 17.804 1.880 0.622 0.596 0.905 0.762 CB 1.285 22 residues pruned to eliminate duplicates Z: 22 16.960 1.927 0.734 0.582 0.857 0.571 CB 1.194 22 residues pruned to eliminate duplicates Z: 22 18.395 1.863 0.781 0.562 0.857 0.571 CB 1.329 26 residues pruned to eliminate duplicates Z: 12 22.226 1.965 0.594 0.862 1.000 0.727 CB 1.571 12 residues pruned to eliminate duplicates Z: 23 18.319 1.864 0.744 0.574 0.909 0.545 CB 1.231 23 residues pruned to eliminate duplicates Z: 38 25.948 1.828 0.799 0.653 0.865 0.676 CB 1.301 41 residues pruned to eliminate duplicates Z: 13 24.051 1.888 0.933 0.857 0.917 0.667 CB 1.529 13 residues pruned to eliminate duplicates Z: 29 15.776 1.826 0.704 0.452 0.786 0.393 CB 1.281 29 residues pruned to eliminate duplicates Z: 20 21.124 1.855 0.872 0.684 0.842 0.632 CB 1.399 20 residues pruned to eliminate duplicates Z: 14 23.917 1.962 1.110 0.763 0.923 0.769 CB 1.374 14 residues pruned to eliminate duplicates Z: 16 17.302 1.818 0.954 0.653 0.800 0.533 N 1.363 16 residues pruned to eliminate duplicates Z: 22 25.463 1.914 1.024 0.585 0.857 0.619 CB 1.542 22 residues pruned to eliminate duplicates Z: 12 21.899 1.953 1.167 0.800 0.818 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 29 19.346 1.898 0.728 0.460 0.857 0.536 CB 1.355 29 residues pruned to eliminate duplicates Z: 27 21.689 1.903 0.931 0.509 0.846 0.577 CB 1.356 27 residues pruned to eliminate duplicates Z: 24 24.996 1.926 0.979 0.606 0.913 0.739 CB 1.354 24 residues pruned to eliminate duplicates Z: 22 26.260 1.999 0.872 0.648 0.952 0.714 CB 1.400 22 residues pruned to eliminate duplicates Z: 8 4.761 1.311 0.889 0.388 1.000 0.429 CB 0.818 8 residues pruned to eliminate duplicates Z: 7 4.039 1.548 0.623 0.333 0.833 0.500 CB 0.945 2 residues pruned to eliminate duplicates Z: 7 5.270 1.187 1.029 0.846 0.833 0.333 CB 0.796 Z: 6 5.198 1.269 0.839 0.737 1.000 0.800 CB 0.805 4 residues pruned to eliminate duplicates Z: 6 2.857 1.281 0.697 0.811 0.800 0.600 CB 0.561 6 residues pruned to eliminate duplicates Z: 7 5.902 1.349 0.988 0.821 1.000 0.833 CB 0.680 7 residues pruned to eliminate duplicates Z: 12 18.184 1.817 0.635 0.880 1.000 0.909 CB 1.337 18 residues pruned to eliminate duplicates Z: 12 6.090 1.641 0.512 0.425 0.727 0.545 CB 1.100 Z: 13 15.845 1.805 0.614 0.804 0.917 0.750 CB 1.313 25 residues pruned to eliminate duplicates Z: 26 14.071 1.673 0.598 0.573 0.760 0.560 N 1.290 26 residues pruned to eliminate duplicates Z: 14 17.757 1.777 0.707 0.764 0.923 0.385 CB 1.391 13 residues pruned to eliminate duplicates Z: 14 15.024 1.677 0.642 0.880 0.923 0.385 CB 1.188 14 residues pruned to eliminate duplicates Z: 12 15.814 1.860 0.619 0.739 0.909 0.818 N 1.406 12 residues pruned to eliminate duplicates Z: 15 15.674 1.751 0.620 0.746 0.857 0.357 CB 1.382 15 residues pruned to eliminate duplicates Z: 12 17.790 1.835 0.637 0.838 0.909 0.636 CB 1.468 12 residues pruned to eliminate duplicates Z: 13 15.872 1.766 0.652 0.812 0.917 0.750 CA 1.305 22 residues pruned to eliminate duplicates Z: 12 19.210 1.847 0.550 0.886 1.000 0.818 CB 1.460 12 residues pruned to eliminate duplicates Z: 14 12.365 1.649 0.189 0.726 1.000 0.769 CB 1.426 14 residues pruned to eliminate duplicates Z: 11 13.074 1.764 0.245 0.804 1.000 0.700 CB 1.443 11 residues pruned to eliminate duplicates Z: 21 11.422 1.713 0.395 0.571 0.950 0.700 CB 1.050 21 residues pruned to eliminate duplicates Z: 14 11.437 1.745 0.452 0.740 0.923 0.692 CB 1.094 13 residues pruned to eliminate duplicates Z: 12 14.267 1.772 0.503 0.861 0.909 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 19 12.203 1.613 0.538 0.577 0.944 0.444 CB 1.140 19 residues pruned to eliminate duplicates Z: 12 10.809 1.755 0.268 0.761 0.909 0.818 CB 1.278 12 residues pruned to eliminate duplicates Z: 12 10.019 1.735 0.266 0.781 0.909 0.727 CB 1.181 11 residues pruned to eliminate duplicates Z: 12 14.454 1.797 0.247 0.900 1.000 0.818 CB 1.388 14 residues pruned to eliminate duplicates Z: 13 16.562 1.745 0.395 0.875 1.000 0.750 CB 1.428 13 residues pruned to eliminate duplicates Z: 13 16.697 1.716 0.397 0.907 1.000 0.917 CB 1.429 13 residues pruned to eliminate duplicates Z: 14 15.182 1.712 0.424 0.853 0.923 0.923 CB 1.383 14 residues pruned to eliminate duplicates Z: 10 3.719 1.342 0.120 0.329 0.889 0.444 CB 1.120 Z: 7 4.339 1.159 0.441 0.786 1.000 0.500 N 0.825 7 residues pruned to eliminate duplicates Z: 7 3.017 1.416 0.419 0.486 0.667 0.667 CB 0.933 Z: 8 8.818 1.530 0.448 0.851 1.000 0.857 CB 1.113 8 residues pruned to eliminate duplicates Z: 10 7.121 1.346 0.717 0.653 0.889 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 7 10.530 1.589 0.822 0.843 1.000 0.667 CB 1.105 9 residues pruned to eliminate duplicates Z: 9 9.160 1.445 0.618 0.818 1.000 0.625 CB 1.050 7 residues pruned to eliminate duplicates Z: 8 10.265 1.536 0.620 0.871 1.000 0.714 CB 1.137 8 residues pruned to eliminate duplicates Z: 8 9.835 1.544 0.550 0.900 1.000 1.000 CB 1.109 8 residues pruned to eliminate duplicates Z: 9 7.915 1.423 0.697 0.782 1.000 0.625 CB 0.904 9 residues pruned to eliminate duplicates Z: 14 15.962 1.759 0.585 0.818 1.000 0.769 CB 1.204 13 residues pruned to eliminate duplicates Z: 14 12.813 1.749 0.659 0.746 0.846 0.615 CB 1.162 14 residues pruned to eliminate duplicates Z: 13 21.948 1.758 0.818 0.931 1.000 0.917 CB 1.385 13 residues pruned to eliminate duplicates Z: 10 11.768 1.684 0.636 0.591 1.000 0.556 N 1.305 10 residues pruned to eliminate duplicates Z: 15 15.194 1.669 0.656 0.878 0.929 0.714 CB 1.148 15 residues pruned to eliminate duplicates Z: 19 13.843 1.742 0.647 0.614 0.889 0.500 CB 1.148 19 residues pruned to eliminate duplicates Z: 19 14.826 1.739 0.685 0.615 0.944 0.389 CB 1.132 19 residues pruned to eliminate duplicates Z: 15 14.254 1.786 0.684 0.744 0.857 0.429 CB 1.188 15 residues pruned to eliminate duplicates Z: 18 16.017 1.715 0.809 0.631 0.882 0.471 CB 1.254 18 residues pruned to eliminate duplicates Z: 15 17.869 1.705 0.716 0.906 1.000 0.571 CB 1.161 15 residues pruned to eliminate duplicates Z: 17 14.057 1.780 0.541 0.702 0.812 0.375 CB 1.312 17 residues pruned to eliminate duplicates Z: 21 15.197 1.712 0.757 0.553 0.900 0.350 CB 1.192 21 residues pruned to eliminate duplicates Z: 16 12.787 1.701 0.679 0.730 0.800 0.400 CB 1.175 16 residues pruned to eliminate duplicates Z: 9 5.635 1.702 0.790 0.354 0.750 0.500 CB 1.022 9 residues pruned to eliminate duplicates Z: 18 13.834 1.823 0.710 0.655 0.941 0.765 CB 0.990 18 residues pruned to eliminate duplicates Z: 8 4.145 1.602 0.783 0.453 0.714 0.571 CB 0.806 8 residues pruned to eliminate duplicates Z: 18 11.842 1.834 0.607 0.622 0.882 0.706 CB 0.985 18 residues pruned to eliminate duplicates Z: 26 19.382 1.847 0.704 0.715 0.920 0.600 CB 1.102 26 residues pruned to eliminate duplicates Z: 6 2.311 1.392 0.741 0.461 0.800 0.400 CB 0.555 6 residues pruned to eliminate duplicates Z: 32 16.665 1.801 0.549 0.673 0.968 0.452 CB 0.945 32 residues pruned to eliminate duplicates Z: 26 19.697 1.812 0.623 0.724 1.000 0.640 CB 1.094 26 residues pruned to eliminate duplicates Z: 25 12.038 1.804 0.426 0.663 0.958 0.583 CB 0.857 25 residues pruned to eliminate duplicates Z: 34 13.795 1.725 0.462 0.644 0.818 0.424 CB 1.017 34 residues pruned to eliminate duplicates Z: 34 19.151 1.781 0.501 0.681 0.939 0.636 CB 1.124 42 residues pruned to eliminate duplicates Z: 7 3.530 1.433 0.622 0.277 0.833 0.500 CA 0.957 Z: 9 7.329 1.581 0.557 0.781 1.000 0.625 CB 0.822 9 residues pruned to eliminate duplicates Z: 11 5.774 1.463 0.428 0.592 0.900 0.500 CB 0.889 11 residues pruned to eliminate duplicates Z: 10 7.782 1.490 0.464 0.589 1.000 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 8 6.827 1.423 0.927 0.614 0.857 0.714 N 0.985 8 residues pruned to eliminate duplicates Z: 11 8.933 1.513 0.557 0.657 0.900 0.700 CB 1.152 12 residues pruned to eliminate duplicates Z: 11 9.793 1.512 0.542 0.700 0.900 0.900 CB 1.230 10 residues pruned to eliminate duplicates Z: 8 8.782 1.628 0.527 0.803 1.000 0.429 CB 1.025 8 residues pruned to eliminate duplicates Z: 15 9.606 1.492 0.806 0.763 0.786 0.214 CB 0.960 16 residues pruned to eliminate duplicates 6 1.679 1.233 0.918 0.691 0.400 0.200 CB 0.667 ? Z: 15 11.080 1.466 0.913 0.901 1.000 0.714 CB 0.754 14 residues pruned to eliminate duplicates Z: 12 12.152 1.768 0.586 0.874 1.000 0.818 CB 0.951 12 residues pruned to eliminate duplicates Z: 16 11.110 1.780 0.658 0.538 0.933 0.667 CB 1.004 16 residues pruned to eliminate duplicates Z: 14 10.912 1.751 0.640 0.719 0.846 0.615 CB 1.022 14 residues pruned to eliminate duplicates Z: 16 11.027 1.778 0.671 0.566 0.867 0.667 CB 1.038 16 residues pruned to eliminate duplicates Z: 14 9.821 1.764 0.678 0.534 0.846 0.692 CB 1.052 14 residues pruned to eliminate duplicates Z: 39 16.831 1.842 0.626 0.490 0.842 0.605 CB 1.093 39 residues pruned to eliminate duplicates Z: 20 12.763 1.805 0.381 0.668 0.895 0.737 CB 1.124 20 residues pruned to eliminate duplicates Z: 23 14.538 1.806 0.496 0.553 0.955 0.636 CB 1.141 24 residues pruned to eliminate duplicates Z: 14 14.388 1.702 0.674 0.846 0.923 0.846 CB 1.127 14 residues pruned to eliminate duplicates Z: 21 12.206 1.791 0.701 0.546 0.900 0.600 CB 0.952 21 residues pruned to eliminate duplicates Z: 23 13.549 1.790 0.527 0.551 0.818 0.591 CB 1.229 23 residues pruned to eliminate duplicates Z: 33 13.009 1.760 0.535 0.476 0.875 0.531 CB 0.997 32 residues pruned to eliminate duplicates Z: 11 18.277 1.880 0.601 0.856 1.000 0.600 CB 1.417 11 residues pruned to eliminate duplicates Z: 11 16.768 1.843 0.576 0.844 1.000 0.600 CB 1.358 11 residues pruned to eliminate duplicates Z: 12 9.357 1.621 0.544 0.484 0.818 0.545 CA 1.400 12 residues pruned to eliminate duplicates Z: 15 8.854 1.530 0.914 0.508 0.857 0.500 CB 0.935 7 residues pruned to eliminate duplicates Z: 12 20.366 1.835 0.672 0.904 1.000 1.000 CB 1.425 31 residues pruned to eliminate duplicates Z: 15 16.393 1.775 0.814 0.727 0.929 0.571 CB 1.194 15 residues pruned to eliminate duplicates Z: 14 14.637 1.792 0.948 0.743 0.846 0.615 CB 1.105 Z: 12 21.063 1.750 0.844 0.909 1.000 1.000 CA 1.397 14 residues pruned to eliminate duplicates Z: 13 14.695 1.602 0.576 0.837 0.917 0.833 CB 1.372 13 residues pruned to eliminate duplicates Z: 12 22.095 1.817 0.748 0.905 1.000 0.909 CB 1.492 12 residues pruned to eliminate duplicates Z: 11 10.793 1.820 0.680 0.472 0.800 0.600 CB 1.436 23 residues pruned to eliminate duplicates Z: 7 4.505 1.538 0.516 0.550 1.000 0.667 CB 0.751 Z: 6 2.843 1.275 0.293 0.352 0.800 0.200 O 1.131 6 residues pruned to eliminate duplicates Z: 8 5.162 1.585 0.485 0.564 0.714 0.571 CB 1.090 9 residues pruned to eliminate duplicates 6 1.711 1.267 -0.124 0.434 1.000 0.200 N 0.738 ? Z: 7 2.346 1.364 0.468 0.254 0.667 0.500 O 0.952 Z: 16 23.177 1.819 0.716 0.750 1.000 0.667 N 1.535 23 residues pruned to eliminate duplicates Z: 10 7.433 1.677 0.493 0.334 0.889 0.333 N 1.334 10 residues pruned to eliminate duplicates Z: 24 15.689 1.805 0.587 0.505 0.826 0.609 CB 1.376 33 residues pruned to eliminate duplicates Z: 26 15.303 1.784 0.528 0.481 0.880 0.560 CB 1.301 26 residues pruned to eliminate duplicates Z: 20 16.096 1.814 0.587 0.548 0.895 0.526 CB 1.368 20 residues pruned to eliminate duplicates Z: 24 18.111 1.811 0.758 0.579 0.826 0.609 CB 1.330 18 residues pruned to eliminate duplicates Z: 13 21.111 1.808 0.633 0.895 1.000 0.833 N 1.480 13 residues pruned to eliminate duplicates Z: 27 19.273 1.795 0.595 0.555 0.923 0.769 CB 1.355 27 residues pruned to eliminate duplicates Z: 13 18.655 1.808 0.669 0.832 0.917 0.750 N 1.461 13 residues pruned to eliminate duplicates Z: 24 18.995 1.839 0.763 0.568 0.826 0.739 CB 1.385 24 residues pruned to eliminate duplicates Z: 23 17.150 1.789 0.650 0.554 0.864 0.591 CB 1.361 23 residues pruned to eliminate duplicates Z: 17 12.516 1.812 0.651 0.522 0.812 0.688 CB 1.260 17 residues pruned to eliminate duplicates Z: 18 18.903 1.796 0.479 0.741 0.941 0.588 N 1.478 18 residues pruned to eliminate duplicates Z: 31 9.799 1.596 0.456 0.347 0.800 0.400 CB 1.137 23 residues pruned to eliminate duplicates Z: 8 8.474 1.451 0.505 0.842 1.000 0.857 CB 1.093 Z: 8 7.207 1.555 0.506 0.862 0.857 0.714 CB 0.997 10 residues pruned to eliminate duplicates Z: 10 9.434 1.495 0.593 0.829 0.889 0.778 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 7.623 1.535 0.598 0.867 1.000 1.000 CB 0.928 7 residues pruned to eliminate duplicates Z: 8 4.198 1.417 0.758 0.810 0.714 0.429 CB 0.681 8 residues pruned to eliminate duplicates Z: 15 7.233 1.442 0.499 0.698 0.857 0.786 CB 0.871 11 residues pruned to eliminate duplicates Z: 7 5.327 1.372 0.369 0.821 1.000 1.000 CB 0.877 8 residues pruned to eliminate duplicates Z: 12 8.752 1.437 0.561 0.918 1.000 0.636 CB 0.830 12 residues pruned to eliminate duplicates Z: 13 9.341 1.294 0.649 0.840 0.917 0.500 CB 1.029 13 residues pruned to eliminate duplicates Z: 10 11.702 1.635 1.016 0.561 0.889 0.444 CB 1.255 11 residues pruned to eliminate duplicates Z: 8 5.278 1.507 0.507 0.666 0.714 0.429 N 1.054 8 residues pruned to eliminate duplicates Z: 9 10.488 1.741 0.983 0.513 0.875 0.250 CB 1.212 9 residues pruned to eliminate duplicates Z: 16 19.886 1.861 0.912 0.665 1.000 0.533 CB 1.238 19 residues pruned to eliminate duplicates Z: 13 14.885 1.828 0.530 0.922 1.000 0.917 CB 1.080 13 residues pruned to eliminate duplicates Z: 12 12.077 1.811 0.290 0.903 1.000 1.000 CB 1.111 12 residues pruned to eliminate duplicates Z: 10 7.154 1.801 0.255 0.528 0.778 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 12 3.926 1.608 0.458 0.334 0.545 0.182 CB 1.110 12 residues pruned to eliminate duplicates Z: 13 6.512 1.642 0.247 0.392 0.833 0.250 CB 1.235 13 residues pruned to eliminate duplicates Z: 11 8.880 1.829 0.239 0.859 0.800 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 20 10.031 1.685 0.145 0.588 0.947 0.526 CB 1.157 15 residues pruned to eliminate duplicates Z: 14 11.154 1.773 0.259 0.884 1.000 0.615 CB 1.001 14 residues pruned to eliminate duplicates Z: 13 9.176 1.561 0.495 0.770 1.000 0.583 CB 0.894 13 residues pruned to eliminate duplicates Z: 15 10.257 1.796 0.432 0.809 0.857 0.571 CB 0.950 15 residues pruned to eliminate duplicates Z: 19 10.469 1.706 0.328 0.813 0.833 0.500 CB 0.995 19 residues pruned to eliminate duplicates Z: 25 8.322 1.567 0.505 0.459 0.875 0.542 CB 0.859 31 residues pruned to eliminate duplicates Z: 6 5.480 1.601 0.254 0.869 1.000 1.000 CB 0.891 5 residues pruned to eliminate duplicates Z: 20 14.071 1.674 0.375 0.884 1.000 0.737 CB 1.013 20 residues pruned to eliminate duplicates Z: 14 8.312 1.586 0.653 0.722 0.923 0.615 CB 0.780 14 residues pruned to eliminate duplicates Z: 8 4.600 1.604 0.215 0.386 0.857 0.429 CB 1.175 8 residues pruned to eliminate duplicates Z: 13 10.975 1.562 0.343 0.875 1.000 1.000 CB 1.098 13 residues pruned to eliminate duplicates Z: 13 9.485 1.570 0.273 0.853 0.917 0.833 CB 1.104 13 residues pruned to eliminate duplicates Z: 7 6.009 1.513 0.520 0.599 0.833 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 12 5.465 1.572 0.349 0.771 0.909 0.636 CB 0.673 12 residues pruned to eliminate duplicates Z: 13 7.768 1.524 0.556 0.763 0.833 0.583 CB 0.898 13 residues pruned to eliminate duplicates Z: 18 9.920 1.626 0.618 0.686 0.941 0.765 CB 0.820 18 residues pruned to eliminate duplicates Z: 10 6.762 1.623 0.380 0.581 0.778 0.444 N 1.196 10 residues pruned to eliminate duplicates Z: 10 7.674 1.636 0.413 0.785 0.889 0.556 CB 0.968 10 residues pruned to eliminate duplicates Z: 15 5.383 1.447 0.544 0.570 0.714 0.357 CB 0.843 15 residues pruned to eliminate duplicates Z: 10 10.495 1.658 0.650 0.804 1.000 0.444 CB 0.981 10 residues pruned to eliminate duplicates Z: 7 3.813 1.649 0.604 0.795 1.000 0.833 CB 0.455 7 residues pruned to eliminate duplicates Z: 6 3.766 1.661 0.731 0.798 0.800 0.800 CB 0.564 6 residues pruned to eliminate duplicates Z: 13 6.812 1.617 0.640 0.798 0.917 0.667 CB 0.623 13 residues pruned to eliminate duplicates Z: 23 12.374 1.608 0.515 0.866 0.955 0.864 CB 0.831 23 residues pruned to eliminate duplicates Z: 23 11.771 1.604 0.628 0.805 0.955 0.682 CB 0.771 23 residues pruned to eliminate duplicates Z: 6 7.766 1.616 0.540 0.839 1.000 0.800 CB 1.043 7 residues pruned to eliminate duplicates Z: 6 5.954 1.607 0.312 0.854 1.000 0.800 CB 0.933 6 residues pruned to eliminate duplicates Z: 13 8.927 1.643 0.419 0.927 1.000 1.000 CB 0.774 13 residues pruned to eliminate duplicates Z: 7 5.517 1.576 0.330 0.729 0.833 0.833 CB 1.049 7 residues pruned to eliminate duplicates Z: 8 4.775 1.475 0.481 0.570 0.714 0.571 CB 1.081 8 residues pruned to eliminate duplicates Z: 7 2.589 1.685 0.658 0.426 0.667 0.667 CB 0.613 Z: 6 4.446 1.563 0.982 0.292 1.000 0.600 CB 0.811 5 residues pruned to eliminate duplicates Z: 12 10.002 1.682 0.147 0.741 1.000 0.818 CB 1.259 12 residues pruned to eliminate duplicates Z: 11 11.425 1.726 0.348 0.796 1.000 0.700 CB 1.199 11 residues pruned to eliminate duplicates Z: 12 11.666 1.650 0.458 0.786 1.000 0.818 CB 1.136 13 residues pruned to eliminate duplicates Z: 11 8.173 1.553 0.314 0.772 0.900 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 13 8.104 1.631 0.512 0.702 0.833 0.500 CB 0.947 13 residues pruned to eliminate duplicates Z: 14 9.248 1.584 0.691 0.638 0.923 0.385 CB 0.911 13 residues pruned to eliminate duplicates Z: 11 13.113 1.638 0.744 0.858 1.000 0.800 CB 1.069 11 residues pruned to eliminate duplicates Z: 9 9.402 1.538 0.638 0.844 1.000 0.750 CB 0.982 9 residues pruned to eliminate duplicates Z: 14 11.311 1.506 0.813 0.686 1.000 0.692 CB 0.969 14 residues pruned to eliminate duplicates Z: 12 8.291 1.577 0.591 0.751 1.000 0.636 CB 0.797 12 residues pruned to eliminate duplicates Z: 15 13.464 1.551 0.745 0.752 1.000 0.714 CB 1.062 15 residues pruned to eliminate duplicates Z: 8 8.853 1.597 0.616 0.858 1.000 0.714 CB 0.955 9 residues pruned to eliminate duplicates Z: 11 8.400 1.475 0.578 0.863 1.000 0.800 CB 0.838 8 residues pruned to eliminate duplicates Z: 9 6.643 1.538 0.604 0.836 0.875 0.750 CB 0.815 9 residues pruned to eliminate duplicates Z: 11 4.688 1.450 0.361 0.661 0.900 0.700 CB 0.719 11 residues pruned to eliminate duplicates Z: 11 4.949 1.462 0.310 0.725 1.000 0.800 CB 0.667 11 residues pruned to eliminate duplicates Z: 14 7.020 1.461 0.501 0.560 0.923 0.462 CB 0.907 12 residues pruned to eliminate duplicates Z: 8 7.288 1.518 0.402 0.848 1.000 0.714 CB 0.960 8 residues pruned to eliminate duplicates Z: 10 3.145 1.364 0.328 0.488 0.667 0.333 N 0.879 8 residues pruned to eliminate duplicates Z: 25 14.633 1.498 0.463 0.829 0.958 0.750 CB 1.070 25 residues pruned to eliminate duplicates Z: 15 5.468 1.392 0.219 0.465 0.857 0.500 CB 1.042 15 residues pruned to eliminate duplicates Z: 12 3.016 1.286 0.439 0.311 0.636 0.182 N 0.952 14 residues pruned to eliminate duplicates Z: 18 15.060 1.574 0.384 0.914 0.941 0.882 CB 1.260 18 residues pruned to eliminate duplicates Z: 10 6.522 1.496 0.483 0.771 0.889 0.556 CB 0.868 10 residues pruned to eliminate duplicates Z: 15 10.642 1.612 0.378 0.858 1.000 0.714 CB 0.943 15 residues pruned to eliminate duplicates Z: 10 6.189 1.599 0.435 0.837 0.889 0.889 CB 0.756 10 residues pruned to eliminate duplicates Z: 9 5.960 1.520 0.642 0.619 0.875 0.750 CB 0.862 9 residues pruned to eliminate duplicates Z: 14 10.285 1.644 0.347 0.746 0.846 0.538 CB 1.222 14 residues pruned to eliminate duplicates Z: 14 9.075 1.585 0.114 0.712 0.923 0.615 CB 1.275 14 residues pruned to eliminate duplicates Z: 15 10.344 1.649 0.369 0.691 0.857 0.643 CB 1.200 15 residues pruned to eliminate duplicates Z: 14 9.071 1.571 0.289 0.722 0.923 0.692 CB 1.101 14 residues pruned to eliminate duplicates Z: 15 8.081 1.583 0.483 0.656 0.786 0.714 CB 1.013 15 residues pruned to eliminate duplicates Z: 13 10.325 1.677 0.242 0.804 0.917 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 13 10.189 1.643 0.634 0.757 0.833 0.750 CB 1.045 13 residues pruned to eliminate duplicates Z: 14 13.080 1.702 0.420 0.705 1.000 0.769 CB 1.245 14 residues pruned to eliminate duplicates Z: 11 14.074 1.705 0.702 0.901 1.000 0.900 CB 1.095 11 residues pruned to eliminate duplicates Z: 16 13.407 1.577 0.390 0.855 1.000 0.867 CB 1.166 16 residues pruned to eliminate duplicates Z: 17 14.568 1.616 0.646 0.852 0.938 0.562 CB 1.080 17 residues pruned to eliminate duplicates Z: 16 14.746 1.651 0.316 0.870 1.000 0.867 CB 1.279 16 residues pruned to eliminate duplicates Z: 24 14.537 1.677 0.538 0.446 0.957 0.391 CB 1.299 23 residues pruned to eliminate duplicates Z: 9 9.835 1.569 0.695 0.591 1.000 0.500 N 1.198 9 residues pruned to eliminate duplicates Z: 24 14.508 1.753 0.605 0.480 0.913 0.435 CB 1.201 24 residues pruned to eliminate duplicates Z: 13 13.916 1.570 0.989 0.788 0.833 0.750 CB 1.199 13 residues pruned to eliminate duplicates Z: 10 12.287 1.710 0.866 0.592 0.889 0.444 CA 1.323 10 residues pruned to eliminate duplicates Z: 33 14.441 1.638 0.530 0.422 0.938 0.562 CB 1.178 33 residues pruned to eliminate duplicates Z: 28 13.090 1.689 0.493 0.454 0.889 0.481 CB 1.178 28 residues pruned to eliminate duplicates Z: 22 14.052 1.750 0.646 0.513 0.857 0.571 CB 1.226 22 residues pruned to eliminate duplicates Z: 24 16.213 1.717 0.730 0.512 0.913 0.522 CB 1.232 24 residues pruned to eliminate duplicates Z: 21 16.735 1.758 0.806 0.591 0.850 0.600 CB 1.270 21 residues pruned to eliminate duplicates Z: 23 15.373 1.697 0.746 0.514 0.818 0.545 CB 1.333 23 residues pruned to eliminate duplicates Z: 23 16.536 1.757 0.662 0.503 0.955 0.545 CB 1.261 23 residues pruned to eliminate duplicates Z: 28 14.664 1.671 0.612 0.451 0.926 0.481 CB 1.189 28 residues pruned to eliminate duplicates Z: 30 12.930 1.631 0.517 0.471 0.862 0.517 CB 1.159 30 residues pruned to eliminate duplicates Z: 20 16.502 1.743 0.821 0.541 0.947 0.421 CB 1.210 20 residues pruned to eliminate duplicates Z: 23 16.548 1.708 0.785 0.523 0.909 0.545 CB 1.244 23 residues pruned to eliminate duplicates Z: 9 3.347 1.648 0.318 0.079 0.750 0.250 CB 1.255 9 residues pruned to eliminate duplicates Z: 6 5.289 1.686 0.444 0.223 1.000 0.400 N 1.344 6 residues pruned to eliminate duplicates Z: 11 10.698 1.617 0.935 0.591 0.900 0.800 CB 1.101 14 residues pruned to eliminate duplicates Z: 15 19.561 1.965 0.604 0.730 1.000 0.714 CB 1.348 15 residues pruned to eliminate duplicates Z: 29 18.809 1.884 0.656 0.532 0.857 0.500 CB 1.287 37 residues pruned to eliminate duplicates Z: 13 22.961 1.894 0.588 0.932 1.000 0.833 CB 1.539 13 residues pruned to eliminate duplicates Z: 27 23.175 1.936 0.608 0.559 1.000 0.538 CB 1.379 28 residues pruned to eliminate duplicates Z: 13 22.066 1.922 0.526 0.914 1.000 1.000 CB 1.536 13 residues pruned to eliminate duplicates Z: 15 19.435 1.891 0.728 0.697 0.929 0.786 N 1.429 17 residues pruned to eliminate duplicates Z: 13 21.335 1.837 0.727 0.864 0.917 0.667 CB 1.553 13 residues pruned to eliminate duplicates Z: 27 21.528 1.893 0.505 0.612 0.923 0.846 CB 1.444 27 residues pruned to eliminate duplicates Z: 15 17.017 1.910 0.600 0.736 0.929 0.786 CB 1.297 15 residues pruned to eliminate duplicates Z: 28 20.860 1.897 0.547 0.553 0.926 0.667 CB 1.403 28 residues pruned to eliminate duplicates Z: 16 18.405 1.853 0.635 0.694 0.933 0.667 CB 1.408 16 residues pruned to eliminate duplicates Z: 15 18.325 1.825 0.587 0.778 0.929 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 16 19.173 1.930 0.568 0.746 0.933 0.533 CB 1.407 16 residues pruned to eliminate duplicates Z: 18 17.106 1.874 0.542 0.736 0.941 0.882 CB 1.234 18 residues pruned to eliminate duplicates Z: 20 13.051 1.731 0.479 0.651 0.947 0.789 CB 1.072 22 residues pruned to eliminate duplicates Z: 14 14.335 1.746 0.439 0.816 1.000 0.769 CB 1.202 16 residues pruned to eliminate duplicates Z: 13 19.360 1.870 0.641 0.922 0.917 0.833 CB 1.397 13 residues pruned to eliminate duplicates Z: 32 12.967 1.668 0.570 0.500 0.839 0.581 CB 1.060 26 residues pruned to eliminate duplicates Z: 12 14.818 1.673 0.819 0.795 0.909 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 25 16.009 1.731 0.777 0.570 0.875 0.458 CB 1.134 25 residues pruned to eliminate duplicates Z: 16 18.627 1.865 0.880 0.656 0.867 0.600 CB 1.369 24 residues pruned to eliminate duplicates Z: 12 16.440 1.766 1.104 0.857 0.818 0.545 CB 1.202 12 residues pruned to eliminate duplicates Z: 15 18.024 1.901 0.890 0.700 0.857 0.571 CB 1.303 12 residues pruned to eliminate duplicates Z: 13 15.348 1.896 0.942 0.719 0.833 0.417 CB 1.185 13 residues pruned to eliminate duplicates Z: 20 15.695 1.826 0.773 0.714 0.842 0.579 CB 1.088 20 residues pruned to eliminate duplicates Z: 26 15.491 1.771 0.768 0.559 0.840 0.640 CB 1.112 26 residues pruned to eliminate duplicates Z: 24 15.621 1.799 0.493 0.629 0.957 0.826 CB 1.123 24 residues pruned to eliminate duplicates Z: 18 19.039 1.872 0.850 0.720 0.882 0.588 CB 1.239 18 residues pruned to eliminate duplicates Z: 22 14.420 1.760 0.768 0.589 0.762 0.524 CB 1.220 22 residues pruned to eliminate duplicates Z: 18 19.839 1.879 0.666 0.758 0.941 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 20 18.887 1.789 0.787 0.663 0.895 0.632 CB 1.302 20 residues pruned to eliminate duplicates Z: 9 5.600 1.645 0.422 0.486 0.750 0.250 N 1.145 9 residues pruned to eliminate duplicates Z: 8 8.592 1.539 0.403 0.691 1.000 0.429 N 1.262 8 residues pruned to eliminate duplicates Z: 13 6.070 1.592 0.337 0.496 0.667 0.417 CB 1.241 13 residues pruned to eliminate duplicates Z: 8 5.513 1.705 0.128 0.574 0.714 0.286 CB 1.413 8 residues pruned to eliminate duplicates Z: 7 3.784 1.562 0.119 0.619 0.833 0.667 CA 0.948 7 residues pruned to eliminate duplicates Z: 9 8.522 1.590 0.415 0.646 0.875 0.500 CA 1.335 9 residues pruned to eliminate duplicates Z: 8 9.347 1.551 0.521 0.749 1.000 0.714 CA 1.199 8 residues pruned to eliminate duplicates Z: 12 9.450 1.559 0.433 0.639 1.000 0.636 CB 1.120 12 residues pruned to eliminate duplicates Z: 10 8.750 1.570 0.069 0.806 1.000 0.889 O 1.331 10 residues pruned to eliminate duplicates Z: 16 4.728 1.409 0.315 0.213 0.800 0.333 CB 1.156 16 residues pruned to eliminate duplicates Z: 23 10.680 1.870 0.315 0.259 0.864 0.500 CB 1.412 23 residues pruned to eliminate duplicates Z: 11 7.214 1.785 0.360 0.403 0.800 0.400 CB 1.301 11 residues pruned to eliminate duplicates Z: 26 16.194 1.907 0.436 0.464 0.880 0.520 CB 1.394 26 residues pruned to eliminate duplicates Z: 15 12.319 1.803 0.582 0.392 0.929 0.500 CB 1.394 15 residues pruned to eliminate duplicates Z: 15 8.645 1.838 0.384 0.427 0.786 0.643 CB 1.247 15 residues pruned to eliminate duplicates Z: 14 14.186 1.912 0.489 0.433 1.000 0.769 CB 1.481 14 residues pruned to eliminate duplicates Z: 14 12.992 1.902 0.498 0.444 0.923 0.692 CB 1.451 14 residues pruned to eliminate duplicates Z: 24 11.314 1.869 0.493 0.256 0.826 0.609 CB 1.354 24 residues pruned to eliminate duplicates Z: 15 9.199 1.831 0.509 0.358 0.786 0.500 CB 1.319 15 residues pruned to eliminate duplicates Z: 34 14.637 1.853 0.557 0.346 0.818 0.364 CB 1.276 34 residues pruned to eliminate duplicates Z: 19 12.237 1.884 0.577 0.279 0.944 0.500 CB 1.320 19 residues pruned to eliminate duplicates Z: 40 12.895 1.777 0.377 0.267 0.846 0.513 CB 1.299 49 residues pruned to eliminate duplicates Z: 6 2.477 1.594 0.468 0.234 0.800 0.400 CB 0.807 6 residues pruned to eliminate duplicates Z: 38 17.153 1.888 0.574 0.389 0.838 0.568 CB 1.274 32 residues pruned to eliminate duplicates Z: 7 2.571 1.403 0.552 0.256 0.667 0.167 N 0.956 7 residues pruned to eliminate duplicates Z: 21 8.024 1.911 0.450 0.130 0.800 0.500 CB 1.285 21 residues pruned to eliminate duplicates Z: 26 7.704 1.667 0.398 0.190 0.840 0.400 CB 1.140 26 residues pruned to eliminate duplicates Z: 26 7.612 1.797 0.400 0.184 0.760 0.400 CB 1.164 26 residues pruned to eliminate duplicates Z: 28 13.841 1.798 0.633 0.281 0.889 0.593 CB 1.306 28 residues pruned to eliminate duplicates Z: 30 14.235 1.790 0.701 0.279 0.931 0.621 CB 1.197 30 residues pruned to eliminate duplicates Z: 15 7.155 1.754 0.426 0.276 0.857 0.643 CB 1.149 15 residues pruned to eliminate duplicates Z: 29 13.186 1.802 0.611 0.296 0.893 0.500 CB 1.208 29 residues pruned to eliminate duplicates Z: 41 17.929 1.837 0.546 0.350 0.900 0.600 CB 1.306 41 residues pruned to eliminate duplicates Z: 23 5.647 1.587 0.328 0.330 0.773 0.318 CB 0.891 23 residues pruned to eliminate duplicates Z: 11 3.743 1.561 0.038 0.332 0.800 0.500 CB 1.098 11 residues pruned to eliminate duplicates Z: 19 9.371 1.669 0.479 0.507 0.889 0.611 CB 0.999 19 residues pruned to eliminate duplicates Z: 19 11.983 1.790 0.197 0.685 0.944 0.833 CB 1.177 19 residues pruned to eliminate duplicates Z: 15 12.677 1.783 0.162 0.820 1.000 0.929 CB 1.239 15 residues pruned to eliminate duplicates Z: 34 10.152 1.650 0.260 0.458 0.848 0.606 CB 1.046 49 residues pruned to eliminate duplicates Z: 16 6.142 1.615 0.169 0.532 0.867 0.733 CB 0.939 16 residues pruned to eliminate duplicates Z: 18 11.607 1.776 0.198 0.704 0.941 0.882 CB 1.168 18 residues pruned to eliminate duplicates Z: 22 10.505 1.658 0.359 0.618 0.857 0.714 CB 1.061 22 residues pruned to eliminate duplicates Z: 19 11.886 1.801 0.280 0.664 1.000 0.722 CB 1.043 19 residues pruned to eliminate duplicates Z: 25 9.711 1.734 0.346 0.454 0.875 0.583 CB 1.017 25 residues pruned to eliminate duplicates Z: 11 10.376 1.714 0.829 0.621 0.800 0.500 CB 1.167 11 residues pruned to eliminate duplicates Z: 14 16.598 1.808 0.654 0.879 1.000 0.615 CB 1.117 14 residues pruned to eliminate duplicates Z: 18 9.911 1.658 0.668 0.452 0.765 0.353 CB 1.194 18 residues pruned to eliminate duplicates Z: 29 13.630 1.736 0.529 0.521 0.857 0.607 CB 1.109 21 residues pruned to eliminate duplicates Z: 12 9.228 1.480 0.937 0.800 0.909 0.545 CB 0.821 11 residues pruned to eliminate duplicates Z: 8 8.430 1.656 0.425 0.771 1.000 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 9 8.284 1.579 0.363 0.724 1.000 0.625 CB 1.112 9 residues pruned to eliminate duplicates Z: 10 9.216 1.603 0.513 0.593 0.889 0.667 N 1.303 10 residues pruned to eliminate duplicates Z: 10 6.016 1.578 0.114 0.695 1.000 0.778 CB 0.954 10 residues pruned to eliminate duplicates Z: 6 6.155 1.617 0.412 0.673 1.000 0.600 CB 1.028 6 residues pruned to eliminate duplicates Z: 10 7.904 1.593 0.279 0.771 1.000 0.889 CB 1.017 10 residues pruned to eliminate duplicates Z: 11 8.668 1.538 0.286 0.870 1.000 1.000 CB 1.012 12 residues pruned to eliminate duplicates Z: 12 25.288 1.845 0.801 0.891 1.000 1.000 N 1.649 12 residues pruned to eliminate duplicates Z: 12 17.627 1.701 0.748 0.874 1.000 0.818 N 1.301 12 residues pruned to eliminate duplicates Z: 12 16.447 1.822 0.644 0.730 1.000 0.909 CB 1.345 12 residues pruned to eliminate duplicates Z: 16 13.853 1.776 0.830 0.573 0.867 0.533 CB 1.183 16 residues pruned to eliminate duplicates Z: 15 14.603 1.753 0.760 0.718 0.929 0.643 CB 1.119 15 residues pruned to eliminate duplicates Z: 15 12.911 1.792 0.590 0.633 0.857 0.500 CB 1.247 28 residues pruned to eliminate duplicates Z: 26 17.361 1.710 0.697 0.548 0.920 0.520 CB 1.241 26 residues pruned to eliminate duplicates Z: 23 17.848 1.798 0.741 0.520 0.909 0.636 CB 1.311 23 residues pruned to eliminate duplicates Z: 15 16.900 1.796 0.561 0.757 0.857 0.714 CA 1.495 15 residues pruned to eliminate duplicates Z: 27 17.969 1.762 0.621 0.551 0.923 0.654 CB 1.273 27 residues pruned to eliminate duplicates Z: 24 19.588 1.774 0.668 0.621 0.913 0.609 CB 1.348 24 residues pruned to eliminate duplicates Z: 10 6.193 1.629 0.423 0.534 0.778 0.667 CB 1.107 6 residues pruned to eliminate duplicates Z: 7 5.310 1.882 -0.096 0.606 0.833 0.667 N 1.382 7 residues pruned to eliminate duplicates Z: 12 9.764 1.775 0.243 0.575 0.909 0.727 CB 1.364 14 residues pruned to eliminate duplicates Z: 6 10.604 1.834 0.267 0.826 1.000 0.800 CA 1.539 6 residues pruned to eliminate duplicates Z: 11 8.812 1.713 0.621 0.487 0.800 0.500 CB 1.271 10 residues pruned to eliminate duplicates Z: 8 6.080 1.676 -0.019 0.629 0.857 0.429 O 1.443 8 residues pruned to eliminate duplicates Z: 13 10.541 1.718 0.543 0.471 0.917 0.667 CB 1.290 13 residues pruned to eliminate duplicates Z: 8 10.703 1.581 0.542 0.919 1.000 1.000 CB 1.169 8 residues pruned to eliminate duplicates Z: 7 7.015 1.546 0.358 0.603 1.000 1.000 N 1.236 7 residues pruned to eliminate duplicates Z: 15 11.561 1.572 0.425 0.780 1.000 0.857 CB 1.077 15 residues pruned to eliminate duplicates Z: 14 8.941 1.548 0.694 0.613 0.769 0.462 CB 1.105 14 residues pruned to eliminate duplicates Z: 10 8.278 1.608 0.635 0.846 0.778 0.667 CB 1.002 10 residues pruned to eliminate duplicates Z: 11 10.987 1.626 0.760 0.763 0.900 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 13 10.733 1.632 0.444 0.805 0.917 0.750 CB 1.099 13 residues pruned to eliminate duplicates Z: 23 18.162 1.640 0.502 0.920 1.000 0.773 CB 1.107 23 residues pruned to eliminate duplicates Z: 9 12.093 1.612 0.743 0.904 1.000 1.000 CB 1.084 9 residues pruned to eliminate duplicates Z: 21 16.953 1.598 0.608 0.825 0.950 0.800 CB 1.172 21 residues pruned to eliminate duplicates Z: 16 12.115 1.566 0.712 0.652 0.800 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 25 17.668 1.596 0.486 0.909 1.000 0.875 CB 1.079 25 residues pruned to eliminate duplicates Z: 16 13.180 1.633 0.521 0.847 1.000 0.733 CB 1.017 16 residues pruned to eliminate duplicates Z: 6 8.731 1.676 0.901 0.790 0.800 0.600 CB 1.188 6 residues pruned to eliminate duplicates Z: 14 9.170 1.587 0.625 0.721 0.846 0.462 CB 0.955 14 residues pruned to eliminate duplicates Z: 10 10.045 1.722 0.485 0.841 0.889 0.444 CB 1.098 10 residues pruned to eliminate duplicates Z: 10 9.462 1.634 0.510 0.896 0.889 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 12 9.480 1.539 0.501 0.737 0.909 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 16 14.994 1.575 0.763 0.869 1.000 0.400 CB 1.019 16 residues pruned to eliminate duplicates Z: 13 5.616 1.546 0.194 0.504 0.833 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 11 12.570 1.625 0.707 0.885 1.000 0.700 CB 1.035 11 residues pruned to eliminate duplicates Z: 8 12.395 1.583 0.677 0.892 1.000 1.000 O 1.268 8 residues pruned to eliminate duplicates Z: 26 18.047 1.583 0.784 0.899 0.960 0.680 CB 0.951 26 residues pruned to eliminate duplicates Z: 12 10.559 1.619 0.347 0.814 1.000 0.727 CB 1.111 10 residues pruned to eliminate duplicates Z: 11 8.300 1.431 0.322 0.688 1.000 0.700 CA 1.168 11 residues pruned to eliminate duplicates Z: 14 6.332 1.473 0.694 0.507 0.846 0.538 CB 0.826 8 residues pruned to eliminate duplicates Z: 10 8.016 1.584 0.206 0.919 1.000 1.000 CB 0.985 10 residues pruned to eliminate duplicates Z: 18 10.781 1.585 0.628 0.639 0.882 0.647 CB 1.008 18 residues pruned to eliminate duplicates Z: 19 9.291 1.580 0.486 0.535 0.833 0.389 CB 1.081 29 residues pruned to eliminate duplicates Z: 9 13.166 1.588 0.793 0.852 1.000 0.625 CB 1.208 9 residues pruned to eliminate duplicates Z: 13 11.626 1.589 0.795 0.672 0.833 0.333 CB 1.205 13 residues pruned to eliminate duplicates Z: 23 11.144 1.557 0.608 0.542 0.773 0.500 CB 1.178 13 residues pruned to eliminate duplicates Z: 10 13.148 1.596 0.689 0.889 1.000 0.889 CB 1.171 10 residues pruned to eliminate duplicates Z: 23 8.072 1.440 0.379 0.431 0.864 0.409 CB 1.078 17 residues pruned to eliminate duplicates Z: 10 12.912 1.543 0.746 0.861 1.000 0.889 CB 1.173 10 residues pruned to eliminate duplicates Z: 8 3.987 1.591 0.357 0.547 0.714 0.714 CB 0.933 8 residues pruned to eliminate duplicates Z: 9 5.650 1.451 0.746 0.477 0.750 0.625 CA 1.076 9 residues pruned to eliminate duplicates Z: 17 7.902 1.543 0.494 0.438 0.875 0.500 CB 1.043 17 residues pruned to eliminate duplicates Z: 9 5.226 1.519 0.535 0.468 0.750 0.625 CA 1.092 9 residues pruned to eliminate duplicates Z: 20 12.040 1.600 0.676 0.528 0.842 0.526 CB 1.190 25 residues pruned to eliminate duplicates Z: 11 13.620 1.743 0.669 0.734 0.900 0.700 CB 1.333 11 residues pruned to eliminate duplicates Z: 11 15.478 1.710 0.681 0.870 1.000 0.700 CB 1.243 11 residues pruned to eliminate duplicates Z: 18 11.360 1.539 0.678 0.604 0.824 0.588 CB 1.173 18 residues pruned to eliminate duplicates Z: 20 10.617 1.661 0.648 0.595 0.789 0.526 CB 1.029 17 residues pruned to eliminate duplicates Z: 10 12.046 1.757 0.360 0.835 1.000 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 12 11.285 1.672 0.615 0.814 0.818 0.636 CB 1.172 12 residues pruned to eliminate duplicates Z: 16 11.555 1.686 0.810 0.584 0.800 0.600 CB 1.128 16 residues pruned to eliminate duplicates Z: 14 13.695 1.737 0.453 0.715 0.923 0.615 N 1.341 13 residues pruned to eliminate duplicates Z: 9 13.250 1.811 0.570 0.839 0.875 0.500 CB 1.406 9 residues pruned to eliminate duplicates Z: 18 11.111 1.608 0.457 0.636 0.824 0.765 CB 1.229 17 residues pruned to eliminate duplicates Z: 13 11.850 1.736 0.531 0.656 0.917 0.583 CB 1.215 13 residues pruned to eliminate duplicates Z: 17 11.241 1.699 0.502 0.668 0.875 0.688 CB 1.078 17 residues pruned to eliminate duplicates Z: 18 7.101 1.496 0.609 0.396 0.941 0.588 CB 0.849 16 residues pruned to eliminate duplicates Z: 14 14.677 1.684 0.258 0.889 1.000 0.923 CB 1.384 14 residues pruned to eliminate duplicates Z: 13 14.177 1.744 0.384 0.851 1.000 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 13 13.622 1.788 0.240 0.798 0.917 0.750 CA 1.490 13 residues pruned to eliminate duplicates Z: 12 12.717 1.816 0.295 0.781 0.909 0.727 CB 1.400 12 residues pruned to eliminate duplicates Z: 14 12.087 1.737 0.085 0.811 1.000 0.692 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 10.314 1.661 0.275 0.665 0.846 0.615 CB 1.371 14 residues pruned to eliminate duplicates Z: 11 13.020 1.709 0.310 0.862 1.000 0.900 CB 1.351 11 residues pruned to eliminate duplicates Z: 13 14.074 1.729 0.353 0.823 0.917 0.750 CB 1.432 13 residues pruned to eliminate duplicates Z: 13 13.046 1.682 0.700 0.719 0.917 0.667 CB 1.178 13 residues pruned to eliminate duplicates Z: 13 13.801 1.674 0.448 0.798 0.917 0.750 CB 1.381 13 residues pruned to eliminate duplicates Z: 12 3.815 1.408 0.080 0.580 0.909 0.636 CB 0.771 12 residues pruned to eliminate duplicates Z: 8 6.470 1.652 0.334 0.734 0.857 0.714 N 1.049 8 residues pruned to eliminate duplicates Z: 9 6.631 1.640 0.457 0.712 0.750 0.500 CB 1.079 9 residues pruned to eliminate duplicates Z: 9 8.632 1.617 0.478 0.833 0.875 0.625 CB 1.095 9 residues pruned to eliminate duplicates Z: 9 8.333 1.547 0.558 0.831 1.000 0.625 CB 0.918 9 residues pruned to eliminate duplicates Z: 7 6.728 1.623 0.469 0.699 0.833 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 13 7.853 1.506 0.428 0.700 0.917 0.750 CB 0.958 13 residues pruned to eliminate duplicates Z: 13 9.104 1.524 0.538 0.774 0.917 0.750 CB 0.961 11 residues pruned to eliminate duplicates Z: 10 9.265 1.630 0.386 0.868 0.889 0.667 CB 1.123 10 residues pruned to eliminate duplicates Z: 6 5.123 1.600 0.333 0.652 0.800 0.400 CB 1.166 6 residues pruned to eliminate duplicates Z: 11 10.197 1.705 0.394 0.775 0.900 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 11 7.925 1.534 0.621 0.681 0.900 0.800 CB 0.949 11 residues pruned to eliminate duplicates Z: 11 9.498 1.571 0.328 0.806 1.000 0.700 CB 1.102 11 residues pruned to eliminate duplicates Z: 20 9.340 1.494 0.716 0.548 0.737 0.526 CB 1.082 20 residues pruned to eliminate duplicates Z: 10 9.789 1.830 0.652 0.432 0.889 0.444 N 1.303 10 residues pruned to eliminate duplicates Z: 16 12.798 1.716 0.590 0.523 0.933 0.600 N 1.268 16 residues pruned to eliminate duplicates Z: 13 15.639 1.677 0.798 0.907 0.917 0.833 CB 1.161 13 residues pruned to eliminate duplicates Z: 13 9.968 1.502 1.009 0.434 0.833 0.500 N 1.225 13 residues pruned to eliminate duplicates Z: 10 4.991 1.393 0.585 0.779 0.889 0.444 CB 0.662 10 residues pruned to eliminate duplicates Z: 14 8.263 1.440 0.433 0.688 1.000 0.692 CB 0.935 12 residues pruned to eliminate duplicates Z: 13 8.855 1.401 0.481 0.829 1.000 0.583 CB 0.928 15 residues pruned to eliminate duplicates Z: 13 8.101 1.424 0.385 0.842 0.917 0.667 CB 0.964 13 residues pruned to eliminate duplicates Z: 20 8.652 1.392 0.383 0.571 0.947 0.684 CB 1.017 12 residues pruned to eliminate duplicates Z: 14 7.638 1.347 0.286 0.878 1.000 0.769 CB 0.887 14 residues pruned to eliminate duplicates Z: 10 6.241 1.502 0.347 0.814 0.889 0.778 CB 0.880 10 residues pruned to eliminate duplicates Z: 12 4.553 1.178 0.638 0.470 0.818 0.636 CB 0.897 12 residues pruned to eliminate duplicates Z: 15 4.501 1.268 0.343 0.347 0.786 0.643 CB 1.062 6 residues pruned to eliminate duplicates Z: 12 8.124 1.413 0.385 0.822 1.000 0.455 CB 0.947 12 residues pruned to eliminate duplicates Z: 7 7.057 1.638 0.676 0.556 0.833 0.833 N 1.192 6 residues pruned to eliminate duplicates Z: 9 12.252 1.669 0.655 0.659 1.000 0.500 CB 1.353 10 residues pruned to eliminate duplicates Z: 10 9.536 1.467 0.829 0.618 1.000 0.667 CA 1.060 10 residues pruned to eliminate duplicates Z: 8 8.112 1.514 0.842 0.800 1.000 0.857 CA 0.846 8 residues pruned to eliminate duplicates Z: 9 11.201 1.807 0.682 0.552 1.000 0.500 CA 1.239 7 residues pruned to eliminate duplicates Z: 8 4.746 1.478 0.512 0.515 0.857 0.429 CA 0.923 8 residues pruned to eliminate duplicates Z: 10 9.572 1.785 0.880 0.438 0.778 0.444 CB 1.303 41 residues pruned to eliminate duplicates Z: 8 2.738 1.553 0.185 0.543 0.857 0.429 CB 0.629 Z: 7 2.867 1.788 0.315 0.668 1.000 0.833 CB 0.426 13 residues pruned to eliminate duplicates Z: 13 8.405 1.795 0.164 0.829 0.917 0.583 CB 0.953 13 residues pruned to eliminate duplicates Z: 17 6.263 1.613 0.833 0.422 0.625 0.562 CB 0.919 22 residues pruned to eliminate duplicates Z: 19 13.917 1.602 0.583 0.901 1.000 0.833 CB 0.923 16 residues pruned to eliminate duplicates Z: 13 11.924 1.793 0.522 0.902 1.000 0.750 CB 0.900 13 residues pruned to eliminate duplicates Z: 16 10.681 1.700 0.627 0.695 0.867 0.667 CB 0.963 16 residues pruned to eliminate duplicates Z: 18 12.230 1.715 0.592 0.735 0.941 0.824 CB 0.934 18 residues pruned to eliminate duplicates Z: 25 9.949 1.639 0.479 0.465 0.875 0.417 CB 0.992 25 residues pruned to eliminate duplicates Z: 15 9.544 1.754 0.725 0.654 0.857 0.571 CB 0.853 15 residues pruned to eliminate duplicates Z: 26 11.284 1.699 0.910 0.593 0.720 0.480 CB 0.884 26 residues pruned to eliminate duplicates Z: 17 13.656 1.717 0.873 0.739 1.000 0.688 CB 0.857 17 residues pruned to eliminate duplicates Z: 13 11.680 1.575 0.939 0.873 0.917 0.833 CB 0.878 13 residues pruned to eliminate duplicates Z: 25 17.522 1.738 0.925 0.653 0.917 0.750 CB 1.012 24 residues pruned to eliminate duplicates Z: 10 13.712 1.642 0.805 0.831 1.000 0.778 CB 1.159 10 residues pruned to eliminate duplicates Z: 11 11.140 1.679 0.886 0.923 1.000 0.800 CB 0.782 11 residues pruned to eliminate duplicates Z: 25 11.810 1.636 0.826 0.694 0.917 0.625 CB 0.737 25 residues pruned to eliminate duplicates Z: 12 8.725 1.463 0.707 0.803 0.818 0.636 CB 0.988 12 residues pruned to eliminate duplicates Z: 12 12.414 1.562 0.633 0.824 1.000 0.909 CB 1.108 12 residues pruned to eliminate duplicates Z: 11 12.421 1.592 0.580 0.890 1.000 0.900 CB 1.123 11 residues pruned to eliminate duplicates Z: 14 10.806 1.480 0.720 0.766 1.000 0.462 CB 0.930 14 residues pruned to eliminate duplicates Z: 12 12.272 1.555 0.686 0.818 1.000 0.818 CB 1.071 14 residues pruned to eliminate duplicates Z: 13 13.558 1.501 0.631 0.901 1.000 0.750 CB 1.141 11 residues pruned to eliminate duplicates Z: 13 10.757 1.516 0.454 0.859 1.000 0.917 CB 1.036 13 residues pruned to eliminate duplicates Z: 11 12.139 1.559 0.508 0.878 1.000 0.700 CB 1.185 11 residues pruned to eliminate duplicates Z: 11 13.374 1.591 0.647 0.903 1.000 1.000 CB 1.150 11 residues pruned to eliminate duplicates Z: 11 11.277 1.591 0.418 0.877 1.000 0.800 CB 1.148 11 residues pruned to eliminate duplicates Z: 6 3.486 1.487 0.411 0.729 1.000 1.000 CB 0.605 5 residues pruned to eliminate duplicates 1109 residues left after pruning, divided into chains as follows: A: 12 B: 14 C: 7 D: 17 E: 11 F: 7 G: 6 H: 13 I: 7 J: 6 K: 15 L: 22 M: 16 N: 8 O: 19 P: 26 Q: 16 R: 14 S: 15 T: 17 U: 7 V: 31 W: 28 X: 10 Y: 14 Z: 25 Z: 9 Z: 41 Z: 13 Z: 6 Z: 9 Z: 15 Z: 48 Z: 6 Z: 7 Z: 37 Z: 36 Z: 14 Z: 16 Z: 25 Z: 27 Z: 6 Z: 15 Z: 11 Z: 24 Z: 17 Z: 9 Z: 23 Z: 66 Z: 10 Z: 13 Z: 12 Z: 26 Z: 34 Z: 13 Z: 11 Z: 6 Z: 24 Z: 6 Z: 30 Z: 14 Z: 41 Z: 6 CC for partial structure against native data = 34.49 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.398, Connect. = 0.661 for dens.mod. cycle 1 = 0.300, Contrast = 0.460, Connect. = 0.686 for dens.mod. cycle 2 = 0.300, Contrast = 0.539, Connect. = 0.717 for dens.mod. cycle 3 = 0.300, Contrast = 0.548, Connect. = 0.721 for dens.mod. cycle 4 = 0.300, Contrast = 0.558, Connect. = 0.724 for dens.mod. cycle 5 = 0.300, Contrast = 0.563, Connect. = 0.726 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.728 for dens.mod. cycle 7 = 0.300, Contrast = 0.571, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.574, Connect. = 0.731 for dens.mod. cycle 9 = 0.300, Contrast = 0.575, Connect. = 0.732 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4716 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1129 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 20.440 1.782 0.665 0.876 1.000 0.846 CB 1.388 B: 11 12.890 1.741 0.223 0.834 1.000 0.900 N 1.435 C: 9 10.129 1.667 0.669 0.838 0.875 0.500 N 1.099 D: 8 8.413 1.976 0.543 0.412 1.000 0.429 CB 1.144 E: 12 18.635 1.732 0.567 0.905 1.000 0.818 N 1.473 F: 11 11.492 1.713 0.741 0.710 0.900 0.600 CB 1.119 G: 8 7.832 1.870 0.436 0.777 0.857 0.571 CB 1.007 H: 9 9.943 1.622 0.474 0.854 1.000 0.875 CB 1.086 10 residues pruned to eliminate duplicates I: 12 16.822 1.901 0.334 0.884 1.000 0.818 CB 1.446 J: 13 23.928 1.877 0.939 0.844 1.000 0.750 CB 1.412 K: 14 15.233 1.791 0.517 0.815 0.923 0.769 CB 1.281 14 residues pruned to eliminate duplicates L: 21 14.235 1.825 1.091 0.533 0.800 0.350 CB 1.009 21 residues pruned to eliminate duplicates M: 7 4.580 1.612 0.207 0.408 0.833 0.667 CB 1.270 N: 13 12.997 1.783 0.466 0.821 0.833 0.583 CB 1.304 O: 10 16.515 1.736 0.799 0.816 0.889 0.778 CB 1.507 11 residues pruned to eliminate duplicates P: 14 13.724 1.804 0.747 0.835 0.769 0.692 CB 1.176 Q: 13 21.163 1.851 0.778 0.887 1.000 0.667 N 1.339 12 residues pruned to eliminate duplicates R: 14 21.100 1.795 0.742 0.910 1.000 1.000 CA 1.328 S: 14 15.710 1.762 0.352 0.878 1.000 0.846 CB 1.328 T: 14 15.941 1.772 0.564 0.821 1.000 0.846 CB 1.207 U: 11 13.203 1.630 0.611 0.885 1.000 0.700 N 1.148 V: 23 23.122 1.815 0.799 0.885 0.955 0.773 CB 1.142 14 residues pruned to eliminate duplicates W: 12 20.252 1.929 0.649 0.887 1.000 0.909 CB 1.384 12 residues pruned to eliminate duplicates X: 12 23.580 1.921 0.988 0.871 1.000 0.818 CB 1.358 12 residues pruned to eliminate duplicates Y: 14 15.645 1.720 0.589 0.916 1.000 0.769 CB 1.121 12 residues pruned to eliminate duplicates Z: 11 15.956 1.719 0.767 0.850 0.900 0.800 N 1.367 9 residues pruned to eliminate duplicates Z: 11 13.812 1.826 0.357 0.919 1.000 1.000 CB 1.242 Z: 26 22.744 1.727 0.671 0.926 1.000 0.840 CB 1.105 24 residues pruned to eliminate duplicates Z: 9 3.635 1.869 0.470 0.448 0.750 0.500 CB 0.658 Z: 9 12.072 1.848 0.364 0.841 1.000 0.750 CB 1.264 Z: 7 5.346 1.815 0.394 0.870 1.000 0.833 CB 0.629 Z: 15 16.493 1.789 0.542 0.880 1.000 0.786 CB 1.158 Z: 10 13.286 1.842 0.497 0.815 1.000 0.556 CB 1.221 Z: 11 16.154 1.757 0.467 0.894 1.000 1.000 CB 1.421 11 residues pruned to eliminate duplicates Z: 15 17.568 1.730 0.720 0.903 1.000 0.929 CB 1.125 Z: 14 9.041 1.899 0.257 0.436 0.923 0.462 CB 1.216 Z: 13 12.138 1.654 0.455 0.809 1.000 0.583 N 1.113 14 residues pruned to eliminate duplicates Z: 10 7.306 1.769 0.367 0.824 1.000 0.778 CB 0.761 Z: 12 18.507 1.971 0.682 0.890 0.909 0.727 CB 1.332 12 residues pruned to eliminate duplicates Z: 18 15.574 1.563 0.573 0.910 1.000 0.882 CB 1.090 Z: 18 12.301 1.532 0.411 0.900 1.000 0.765 CB 0.985 10 residues pruned to eliminate duplicates Z: 8 13.530 1.737 0.919 0.888 1.000 0.714 CB 1.105 8 residues pruned to eliminate duplicates Z: 11 13.076 1.810 0.376 0.783 1.000 0.700 CB 1.294 11 residues pruned to eliminate duplicates Z: 15 12.533 1.852 0.226 0.896 0.929 0.857 CB 1.138 15 residues pruned to eliminate duplicates Z: 14 19.843 1.778 0.737 0.894 1.000 0.846 CA 1.278 14 residues pruned to eliminate duplicates Z: 26 24.067 1.730 0.883 0.915 1.000 0.800 CB 1.044 25 residues pruned to eliminate duplicates Z: 26 12.088 1.879 0.340 0.425 0.800 0.480 CB 1.299 40 residues pruned to eliminate duplicates Z: 21 16.943 1.699 0.520 0.924 1.000 0.850 CB 1.030 Z: 13 20.413 1.823 0.746 0.889 1.000 0.750 N 1.333 13 residues pruned to eliminate duplicates Z: 11 12.871 1.851 0.198 0.873 1.000 0.900 CB 1.337 11 residues pruned to eliminate duplicates Z: 13 7.730 1.659 0.526 0.425 0.833 0.417 N 1.143 Z: 10 19.820 1.940 0.638 0.881 1.000 0.889 N 1.505 10 residues pruned to eliminate duplicates Z: 12 8.933 1.609 0.126 0.861 1.000 1.000 CB 1.092 Z: 22 17.899 1.930 0.690 0.551 0.905 0.667 CB 1.259 10 residues pruned to eliminate duplicates Z: 14 13.689 1.769 0.766 0.835 0.923 0.846 CB 0.987 14 residues pruned to eliminate duplicates Z: 16 10.218 1.744 0.317 0.881 0.933 0.867 CB 0.891 Z: 12 15.297 1.773 0.457 0.821 0.909 0.818 CB 1.487 Z: 24 24.190 1.765 0.745 0.929 0.957 0.826 CB 1.198 24 residues pruned to eliminate duplicates Z: 6 4.084 1.425 0.370 0.413 1.000 0.600 C 1.024 Z: 10 13.195 1.776 0.498 0.872 0.889 0.778 CB 1.355 10 residues pruned to eliminate duplicates Z: 8 3.918 1.493 0.320 0.333 0.857 0.286 CB 1.052 Z: 13 14.861 1.771 0.527 0.886 1.000 0.833 CB 1.145 13 residues pruned to eliminate duplicates Z: 10 16.251 1.790 0.678 0.834 1.000 0.778 CA 1.351 10 residues pruned to eliminate duplicates Z: 7 8.224 1.712 0.656 0.657 0.833 0.500 CB 1.228 Z: 12 13.774 1.742 0.651 0.902 1.000 0.818 CB 1.030 12 residues pruned to eliminate duplicates Z: 10 8.439 1.964 0.183 0.712 1.000 0.667 CB 0.999 Z: 27 15.746 1.896 0.474 0.520 0.885 0.615 CB 1.225 15 residues pruned to eliminate duplicates Z: 23 16.890 1.798 0.512 0.573 0.955 0.591 CB 1.293 Z: 8 9.070 1.883 0.256 0.812 0.714 0.714 N 1.546 8 residues pruned to eliminate duplicates Z: 8 10.754 1.852 0.239 0.818 1.000 0.857 N 1.345 8 residues pruned to eliminate duplicates Z: 11 12.028 1.844 0.436 0.929 1.000 1.000 CB 1.006 12 residues pruned to eliminate duplicates Z: 11 14.213 1.854 0.812 0.849 0.800 0.700 CB 1.240 9 residues pruned to eliminate duplicates Z: 24 13.386 1.755 0.576 0.617 0.913 0.783 CB 0.989 23 residues pruned to eliminate duplicates Z: 9 7.469 1.714 0.318 0.662 0.875 0.750 CB 1.150 Z: 9 11.153 1.765 0.347 0.771 0.875 0.625 O 1.491 Z: 14 17.987 1.767 0.502 0.873 1.000 0.923 CB 1.369 14 residues pruned to eliminate duplicates Z: 8 4.625 1.632 0.503 0.827 0.857 0.571 CB 0.627 Z: 12 17.643 1.948 0.754 0.855 1.000 0.909 CB 1.149 12 residues pruned to eliminate duplicates Z: 11 17.076 1.898 0.551 0.912 1.000 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 6 5.615 1.609 0.246 0.804 1.000 0.800 CB 0.961 Z: 8 3.343 1.563 0.206 0.461 0.857 0.429 CB 0.814 8 residues pruned to eliminate duplicates Z: 13 15.751 1.696 0.756 0.901 1.000 0.917 CB 1.090 12 residues pruned to eliminate duplicates Z: 11 16.209 1.815 0.532 0.841 1.000 0.800 CB 1.375 Z: 14 15.550 1.791 0.707 0.881 0.923 0.692 CB 1.107 14 residues pruned to eliminate duplicates Z: 13 11.532 1.613 0.525 0.865 0.917 0.750 CB 1.082 13 residues pruned to eliminate duplicates Z: 12 14.050 1.787 0.629 0.852 0.909 0.818 CB 1.184 11 residues pruned to eliminate duplicates Z: 18 12.679 1.892 0.449 0.503 0.824 0.471 CB 1.358 18 residues pruned to eliminate duplicates Z: 13 16.725 1.610 0.761 0.896 1.000 0.833 CB 1.220 13 residues pruned to eliminate duplicates Z: 9 8.535 1.714 0.928 0.402 0.750 0.250 CA 1.349 12 residues pruned to eliminate duplicates Z: 7 3.577 1.702 0.531 0.369 0.667 0.333 CB 0.968 Z: 15 21.005 1.792 0.521 0.905 1.000 1.000 CB 1.467 14 residues pruned to eliminate duplicates Z: 12 20.471 1.937 0.843 0.852 1.000 0.727 CB 1.279 12 residues pruned to eliminate duplicates Z: 13 16.598 1.745 0.663 0.868 1.000 0.917 CB 1.207 13 residues pruned to eliminate duplicates Z: 12 20.835 1.953 0.684 0.913 1.000 0.818 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 15.738 1.807 0.714 0.874 1.000 1.000 CB 1.067 12 residues pruned to eliminate duplicates Z: 14 14.725 1.784 0.359 0.875 0.923 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 10 19.795 1.787 1.016 0.859 1.000 0.778 CA 1.348 10 residues pruned to eliminate duplicates Z: 13 17.952 1.706 0.660 0.904 1.000 1.000 CB 1.303 Z: 14 15.491 1.771 0.623 0.861 0.923 0.769 CA 1.190 14 residues pruned to eliminate duplicates Z: 10 14.010 1.864 0.537 0.885 1.000 1.000 CB 1.177 10 residues pruned to eliminate duplicates Z: 15 12.445 1.725 0.283 0.802 0.857 0.643 CB 1.347 15 residues pruned to eliminate duplicates Z: 36 16.038 1.864 0.593 0.444 0.800 0.486 CB 1.209 28 residues pruned to eliminate duplicates Z: 16 12.715 1.572 0.514 0.892 1.000 0.800 CB 0.991 16 residues pruned to eliminate duplicates Z: 7 5.078 1.507 0.537 0.367 0.833 0.333 O 1.238 Z: 12 9.283 1.920 0.518 0.677 0.909 0.545 CB 0.897 10 residues pruned to eliminate duplicates Z: 10 11.472 1.644 0.392 0.861 1.000 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 13 13.265 1.701 0.465 0.820 0.833 0.833 N 1.397 Z: 16 15.681 1.758 0.528 0.878 1.000 0.867 CB 1.094 14 residues pruned to eliminate duplicates Z: 12 19.762 1.931 0.606 0.890 1.000 0.909 CB 1.381 12 residues pruned to eliminate duplicates Z: 9 14.531 1.577 0.692 0.904 1.000 0.750 O 1.371 Z: 14 11.889 1.536 0.621 0.903 1.000 0.769 CB 0.944 Z: 11 5.509 1.800 -0.010 0.555 0.900 0.500 CB 1.029 Z: 10 11.591 1.820 0.230 0.873 1.000 0.889 CB 1.258 Z: 16 9.454 1.654 0.272 0.560 0.933 0.667 CB 1.172 7 residues pruned to eliminate duplicates Z: 10 6.337 1.692 0.605 0.362 0.778 0.333 N 1.161 11 residues pruned to eliminate duplicates Z: 18 14.614 1.708 0.865 0.928 1.000 0.941 CB 0.779 9 residues pruned to eliminate duplicates Z: 7 8.204 1.689 0.825 0.793 1.000 0.833 CB 0.840 7 residues pruned to eliminate duplicates Z: 9 6.880 1.717 0.192 0.621 0.875 0.750 CB 1.212 Z: 11 18.646 1.780 0.615 0.882 1.000 0.900 CB 1.485 13 residues pruned to eliminate duplicates Z: 14 11.333 1.693 0.208 0.807 0.923 0.615 CB 1.273 8 residues pruned to eliminate duplicates Z: 12 13.460 1.736 0.400 0.883 1.000 0.818 CB 1.207 Z: 10 15.264 1.842 0.545 0.825 0.889 0.667 N 1.519 9 residues pruned to eliminate duplicates Z: 11 6.656 1.594 0.986 0.918 1.000 0.800 CB 0.469 7 residues pruned to eliminate duplicates Z: 11 14.444 1.747 0.289 0.897 1.000 1.000 CB 1.452 11 residues pruned to eliminate duplicates Z: 9 4.091 1.516 0.135 0.480 0.875 0.625 CB 0.980 Z: 13 7.567 1.586 0.449 0.826 0.833 0.667 CB 0.860 9 residues pruned to eliminate duplicates Z: 31 14.242 1.765 0.575 0.533 0.833 0.533 CB 1.087 17 residues pruned to eliminate duplicates Z: 18 13.682 1.791 0.916 0.838 0.941 0.647 CB 0.768 18 residues pruned to eliminate duplicates Z: 9 10.803 1.735 0.293 0.890 0.875 0.875 CB 1.400 9 residues pruned to eliminate duplicates Z: 13 16.563 1.785 0.542 0.888 1.000 0.833 CB 1.252 12 residues pruned to eliminate duplicates Z: 14 15.938 1.721 0.552 0.837 1.000 0.769 CB 1.238 14 residues pruned to eliminate duplicates Z: 13 5.509 1.494 0.342 0.438 0.750 0.583 CB 1.127 9 residues pruned to eliminate duplicates Z: 12 14.124 1.769 0.495 0.890 1.000 0.818 CB 1.158 12 residues pruned to eliminate duplicates Z: 15 14.482 1.794 0.546 0.855 0.929 0.786 CB 1.109 15 residues pruned to eliminate duplicates Z: 14 11.465 1.613 0.538 0.769 0.923 0.923 CB 1.094 11 residues pruned to eliminate duplicates Z: 10 16.488 1.936 0.408 0.881 0.889 0.778 CB 1.642 10 residues pruned to eliminate duplicates Z: 25 24.425 1.738 0.883 0.928 1.000 0.750 CB 1.067 25 residues pruned to eliminate duplicates Z: 16 9.761 1.603 0.559 0.721 0.867 0.600 CB 0.953 14 residues pruned to eliminate duplicates Z: 12 11.964 1.635 0.379 0.868 0.909 0.909 CB 1.287 12 residues pruned to eliminate duplicates Z: 7 5.695 1.836 0.340 0.623 1.000 0.667 CB 0.842 6 residues pruned to eliminate duplicates Z: 9 5.533 1.608 0.599 0.486 0.750 0.625 N 1.029 Z: 10 12.530 1.773 0.686 0.852 0.778 0.444 N 1.329 11 residues pruned to eliminate duplicates Z: 6 2.037 1.157 0.697 0.290 0.800 0.400 CB 0.734 Z: 13 14.599 1.781 0.431 0.874 1.000 0.750 CB 1.203 Z: 11 14.142 1.716 0.577 0.810 1.000 0.800 CB 1.261 11 residues pruned to eliminate duplicates Z: 10 5.567 1.581 0.399 0.417 1.000 0.444 CB 0.915 10 residues pruned to eliminate duplicates Z: 11 11.544 1.744 0.404 0.889 1.000 0.900 CB 1.073 11 residues pruned to eliminate duplicates Z: 12 6.287 1.774 0.251 0.592 1.000 0.636 CB 0.782 12 residues pruned to eliminate duplicates Z: 12 14.596 1.752 0.356 0.828 1.000 0.818 CB 1.395 12 residues pruned to eliminate duplicates Z: 26 11.172 1.560 0.402 0.518 0.840 0.440 CB 1.195 21 residues pruned to eliminate duplicates Z: 19 19.756 1.752 0.769 0.728 0.889 0.722 CB 1.377 14 residues pruned to eliminate duplicates Z: 8 4.978 1.615 0.542 0.521 0.857 0.714 CB 0.864 8 residues pruned to eliminate duplicates Z: 10 11.888 1.619 0.605 0.839 0.889 0.778 CB 1.281 9 residues pruned to eliminate duplicates Z: 14 16.599 1.747 0.503 0.923 1.000 0.846 CB 1.233 15 residues pruned to eliminate duplicates Z: 7 4.914 1.589 0.777 0.241 0.833 0.500 N 1.151 Z: 14 9.834 1.514 0.437 0.850 0.923 0.769 CB 1.006 Z: 11 15.530 1.950 0.346 0.907 1.000 1.000 CB 1.330 11 residues pruned to eliminate duplicates Z: 13 15.558 1.778 0.520 0.873 0.917 0.917 CB 1.321 12 residues pruned to eliminate duplicates Z: 13 11.811 1.794 0.404 0.618 0.917 0.583 CB 1.321 14 residues pruned to eliminate duplicates Z: 21 12.999 1.664 0.592 0.616 0.850 0.650 CB 1.157 21 residues pruned to eliminate duplicates Z: 22 14.908 1.883 0.508 0.587 0.952 0.667 CB 1.106 22 residues pruned to eliminate duplicates Z: 6 4.540 1.500 0.101 0.812 1.000 0.800 CB 0.937 6 residues pruned to eliminate duplicates Z: 12 7.667 1.513 0.732 0.859 0.909 0.455 CB 0.714 Z: 6 4.575 1.653 0.069 0.844 1.000 0.800 CB 0.862 6 residues pruned to eliminate duplicates Z: 7 6.009 1.644 0.274 0.636 1.000 0.500 CB 1.031 4 residues pruned to eliminate duplicates Z: 12 15.182 1.754 0.750 0.850 0.909 0.909 CB 1.216 12 residues pruned to eliminate duplicates Z: 14 10.868 1.803 0.259 0.813 0.923 0.769 CB 1.096 14 residues pruned to eliminate duplicates Z: 7 9.826 1.677 0.477 0.834 1.000 1.000 N 1.214 Z: 7 3.244 1.568 0.032 0.314 0.833 0.333 CB 1.206 Z: 21 15.485 1.924 0.325 0.584 0.950 0.650 CB 1.319 21 residues pruned to eliminate duplicates Z: 8 3.279 1.770 0.240 0.216 0.714 0.429 CB 1.104 Z: 13 16.436 1.728 0.492 0.839 1.000 0.833 CB 1.375 12 residues pruned to eliminate duplicates Z: 9 2.977 1.699 0.658 0.821 0.875 0.750 CB 0.323 8 residues pruned to eliminate duplicates Z: 13 12.072 1.642 0.722 0.813 0.917 0.750 CB 1.025 13 residues pruned to eliminate duplicates Z: 19 4.677 1.562 0.593 0.180 0.722 0.278 CB 0.902 Z: 13 20.549 1.880 0.595 0.895 1.000 0.667 CB 1.418 13 residues pruned to eliminate duplicates Z: 7 5.327 1.490 0.266 0.610 1.000 0.500 CA 1.039 Z: 13 18.952 1.805 0.638 0.919 1.000 0.917 CB 1.304 13 residues pruned to eliminate duplicates Z: 14 4.343 1.522 0.577 0.246 0.692 0.308 CB 0.972 Z: 10 8.273 1.758 0.535 0.897 1.000 1.000 CB 0.731 10 residues pruned to eliminate duplicates Z: 24 15.420 1.565 0.460 0.878 0.870 0.652 CB 1.174 21 residues pruned to eliminate duplicates Z: 11 14.870 1.801 0.367 0.842 1.000 0.800 CB 1.423 11 residues pruned to eliminate duplicates Z: 18 7.732 1.679 0.647 0.438 0.765 0.529 CB 0.945 5 residues pruned to eliminate duplicates Z: 7 5.536 1.650 0.313 0.497 0.833 0.667 CB 1.256 Z: 11 9.339 1.695 0.772 0.871 0.900 0.600 CB 0.797 Z: 9 10.635 1.632 0.544 0.771 1.000 0.750 CB 1.175 9 residues pruned to eliminate duplicates Z: 6 4.700 1.801 0.297 0.878 1.000 1.000 CB 0.653 6 residues pruned to eliminate duplicates Z: 9 3.244 1.433 0.213 0.342 0.750 0.500 CB 1.046 Z: 6 4.673 1.596 0.689 0.325 0.800 0.400 N 1.174 Z: 9 5.566 1.629 0.365 0.833 0.750 0.500 CB 0.886 9 residues pruned to eliminate duplicates Z: 15 8.185 1.674 0.340 0.933 1.000 1.000 CB 0.681 15 residues pruned to eliminate duplicates Z: 13 10.677 1.687 0.231 0.835 1.000 0.750 CB 1.112 13 residues pruned to eliminate duplicates Z: 15 11.287 1.507 0.525 0.885 1.000 0.857 CB 0.947 14 residues pruned to eliminate duplicates Z: 14 8.626 1.731 0.278 0.765 0.846 0.615 CB 1.010 14 residues pruned to eliminate duplicates Z: 10 6.150 1.516 0.380 0.773 0.889 0.889 CB 0.866 Z: 6 4.123 1.815 0.505 0.485 0.800 0.400 CB 0.857 Z: 14 12.301 1.554 0.708 0.912 1.000 0.923 CB 0.911 Z: 10 8.580 1.553 0.601 0.739 0.889 0.889 N 1.044 10 residues pruned to eliminate duplicates Z: 10 12.386 1.723 0.666 0.818 0.778 0.778 N 1.403 10 residues pruned to eliminate duplicates Z: 9 11.812 1.677 0.824 0.805 0.875 0.750 CB 1.196 8 residues pruned to eliminate duplicates Z: 6 5.495 1.720 -0.002 0.791 0.800 0.600 N 1.387 6 residues pruned to eliminate duplicates Z: 9 6.711 1.473 0.323 0.677 0.875 0.625 CB 1.182 Z: 9 12.330 1.720 0.172 0.896 1.000 0.625 CB 1.550 9 residues pruned to eliminate duplicates Z: 7 10.387 1.601 0.629 0.891 1.000 1.000 CB 1.169 Z: 6 3.119 1.778 0.400 0.853 1.000 0.400 CB 0.414 Z: 13 12.684 1.650 0.369 0.912 1.000 0.917 N 1.148 15 residues pruned to eliminate duplicates Z: 13 17.488 1.712 0.553 0.897 1.000 1.000 N 1.359 13 residues pruned to eliminate duplicates Z: 13 9.306 1.687 0.289 0.847 0.917 0.833 CB 1.001 12 residues pruned to eliminate duplicates Z: 11 15.242 1.765 0.765 0.833 1.000 0.700 CB 1.161 11 residues pruned to eliminate duplicates Z: 14 11.122 1.500 0.442 0.932 1.000 1.000 CB 0.996 14 residues pruned to eliminate duplicates Z: 6 4.607 1.508 0.604 0.522 1.000 0.400 N 0.833 Z: 10 7.633 1.354 0.748 0.879 1.000 0.889 CB 0.780 Z: 13 19.303 1.817 0.601 0.906 1.000 0.917 CB 1.363 13 residues pruned to eliminate duplicates Z: 7 3.133 1.588 0.328 0.353 0.667 0.500 CB 1.066 7 residues pruned to eliminate duplicates Z: 6 7.068 1.734 0.704 0.874 1.000 1.000 CB 0.778 Z: 6 3.384 1.432 0.272 0.444 1.000 0.800 N 0.880 Z: 12 7.606 1.545 0.778 0.256 0.818 0.455 CB 1.349 Z: 12 10.317 1.600 0.337 0.892 1.000 0.364 N 1.045 12 residues pruned to eliminate duplicates Z: 9 7.979 1.570 0.893 0.744 0.750 0.625 CB 1.017 Z: 13 11.567 1.674 0.334 0.858 0.917 0.667 CB 1.201 13 residues pruned to eliminate duplicates Z: 18 16.541 1.825 0.602 0.660 0.941 0.647 CB 1.257 25 residues pruned to eliminate duplicates Z: 10 15.891 1.770 0.665 0.905 1.000 1.000 CB 1.279 10 residues pruned to eliminate duplicates Z: 18 18.304 1.813 0.763 0.692 0.882 0.765 CB 1.320 18 residues pruned to eliminate duplicates Z: 9 6.063 1.657 0.318 0.597 0.875 0.625 CB 1.023 Z: 8 14.233 1.868 0.574 0.877 1.000 0.714 CB 1.329 9 residues pruned to eliminate duplicates Z: 6 2.068 1.254 0.242 0.450 0.800 0.600 CB 0.781 Z: 11 5.366 1.791 0.484 0.333 0.700 0.400 CB 1.094 6 residues pruned to eliminate duplicates Z: 12 8.879 1.736 0.450 0.899 1.000 0.909 CB 0.760 11 residues pruned to eliminate duplicates Z: 12 4.783 1.651 0.395 0.438 0.818 0.364 CB 0.816 12 residues pruned to eliminate duplicates Z: 11 14.392 1.775 0.542 0.912 1.000 1.000 CB 1.178 11 residues pruned to eliminate duplicates Z: 15 19.929 1.746 0.576 0.876 1.000 0.786 CB 1.407 15 residues pruned to eliminate duplicates Z: 14 16.713 1.746 0.492 0.878 1.000 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 11 8.284 1.562 0.577 0.877 0.900 0.700 CB 0.859 11 residues pruned to eliminate duplicates Z: 11 8.407 1.660 -0.027 0.812 1.000 0.600 CB 1.255 11 residues pruned to eliminate duplicates Z: 15 16.053 1.875 0.301 0.922 1.000 1.000 CB 1.237 15 residues pruned to eliminate duplicates Z: 12 17.281 1.734 0.833 0.872 0.909 0.818 CB 1.314 11 residues pruned to eliminate duplicates Z: 12 16.686 1.892 0.777 0.890 0.909 0.545 CB 1.184 12 residues pruned to eliminate duplicates Z: 10 6.249 1.552 0.372 0.396 0.778 0.667 N 1.403 12 residues pruned to eliminate duplicates 8 1.741 1.387 0.404 0.281 0.429 0.429 CB 1.010 ? Z: 12 15.191 1.663 0.618 0.854 1.000 0.727 N 1.257 11 residues pruned to eliminate duplicates Z: 7 7.061 1.648 0.415 0.895 1.000 1.000 CB 0.887 Z: 13 10.795 1.705 0.334 0.842 1.000 0.750 CB 1.020 12 residues pruned to eliminate duplicates Z: 7 9.970 1.539 0.531 0.879 1.000 1.000 CB 1.252 7 residues pruned to eliminate duplicates 7 1.959 1.518 0.013 0.377 0.667 0.500 CB 0.889 ? Z: 9 4.631 1.533 0.151 0.393 0.875 0.500 N 1.188 Z: 9 7.644 1.536 0.453 0.913 1.000 1.000 CB 0.857 Z: 7 3.565 1.493 0.231 0.521 0.833 0.500 CB 0.931 Z: 6 3.418 1.834 0.688 0.851 1.000 0.800 CB 0.366 Z: 12 20.548 1.826 0.645 0.908 1.000 0.909 CB 1.466 12 residues pruned to eliminate duplicates Z: 7 2.618 1.474 0.252 0.394 0.833 0.667 CB 0.777 Z: 6 11.396 1.664 0.800 0.778 1.000 1.000 N 1.331 6 residues pruned to eliminate duplicates 6 1.139 1.528 0.621 0.860 1.000 1.000 CB 0.151 ? Z: 13 14.901 1.745 0.496 0.839 1.000 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 8 3.641 1.666 0.384 0.539 0.571 0.286 CB 1.005 Z: 11 10.432 1.814 0.358 0.829 0.900 0.700 CB 1.120 11 residues pruned to eliminate duplicates Z: 12 8.845 1.691 0.456 0.692 0.909 0.636 CB 0.999 12 residues pruned to eliminate duplicates Z: 16 16.306 1.766 0.459 0.685 0.933 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 9 6.899 1.638 0.734 0.330 0.875 0.375 CB 1.182 Z: 9 11.570 1.839 0.533 0.759 0.875 0.375 CB 1.317 9 residues pruned to eliminate duplicates Z: 12 5.502 1.356 0.276 0.896 1.000 0.727 N 0.687 10 residues pruned to eliminate duplicates Z: 11 8.624 1.670 0.632 0.429 1.000 0.600 CB 1.076 11 residues pruned to eliminate duplicates Z: 11 6.812 1.716 0.358 0.435 0.900 0.500 CB 1.099 15 residues pruned to eliminate duplicates Z: 13 14.430 1.786 0.396 0.886 1.000 0.917 CB 1.205 13 residues pruned to eliminate duplicates Z: 13 14.125 1.766 0.274 0.858 1.000 0.750 CB 1.334 14 residues pruned to eliminate duplicates Z: 9 3.291 1.483 0.411 0.343 0.750 0.375 CB 0.879 Z: 7 4.841 1.509 0.477 0.870 1.000 1.000 CB 0.647 Z: 9 5.285 1.675 -0.046 0.657 0.875 0.625 CB 1.155 9 residues pruned to eliminate duplicates Z: 7 7.014 1.620 0.250 0.876 1.000 1.000 O 1.027 8 residues pruned to eliminate duplicates Z: 15 13.947 1.525 0.796 0.878 1.000 0.786 CB 0.988 7 residues pruned to eliminate duplicates Z: 9 3.697 1.305 0.584 0.387 0.875 0.375 N 0.814 Z: 6 4.418 1.596 0.853 0.733 0.800 0.800 CB 0.677 Z: 6 2.369 1.529 0.259 0.280 0.600 0.400 N 1.176 Z: 15 7.491 1.616 0.646 0.366 0.786 0.500 N 1.106 10 residues pruned to eliminate duplicates Z: 13 12.486 1.587 0.521 0.831 0.917 0.750 CB 1.224 13 residues pruned to eliminate duplicates Z: 12 11.097 1.682 0.621 0.831 0.909 0.818 CB 1.014 12 residues pruned to eliminate duplicates Z: 9 3.945 1.744 0.413 0.747 0.875 0.500 CB 0.519 7 1.557 1.532 0.095 0.477 0.833 0.500 CB 0.465 ? Z: 7 6.763 1.493 0.600 0.635 0.833 0.833 CB 1.222 Z: 14 13.126 1.629 0.566 0.817 0.923 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 15 15.160 1.673 0.465 0.823 1.000 0.571 CB 1.250 15 residues pruned to eliminate duplicates Z: 10 9.420 1.709 0.402 0.577 0.889 0.556 CB 1.369 10 residues pruned to eliminate duplicates Z: 12 4.862 1.611 0.518 0.373 0.818 0.364 CB 0.840 Z: 22 11.910 1.521 0.807 0.875 0.905 0.571 CB 0.760 8 residues pruned to eliminate duplicates Z: 10 14.746 1.717 1.007 0.859 0.889 0.889 N 1.181 10 residues pruned to eliminate duplicates Z: 6 2.575 1.523 0.191 0.513 0.800 0.600 CB 0.784 6 residues pruned to eliminate duplicates Z: 11 16.104 1.899 0.628 0.871 1.000 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 7 2.440 1.451 0.331 0.467 0.833 0.833 CB 0.640 Z: 12 11.860 1.701 0.224 0.888 1.000 1.000 CB 1.237 12 residues pruned to eliminate duplicates Z: 15 13.771 1.835 0.441 0.789 0.929 0.857 CB 1.163 15 residues pruned to eliminate duplicates Z: 6 2.897 1.421 0.219 0.657 0.800 0.800 CB 0.808 Z: 17 14.265 1.798 0.835 0.569 0.812 0.500 CB 1.244 24 residues pruned to eliminate duplicates 6 1.190 1.314 0.255 0.465 0.600 0.600 CB 0.558 ? Z: 16 12.495 1.650 0.451 0.795 0.933 0.600 CB 1.115 16 residues pruned to eliminate duplicates Z: 26 21.190 1.742 0.785 0.877 1.000 0.560 CB 0.989 26 residues pruned to eliminate duplicates Z: 12 8.946 1.670 0.172 0.849 0.909 0.818 CB 1.124 12 residues pruned to eliminate duplicates Z: 16 6.780 1.468 0.659 0.336 0.867 0.533 CB 0.992 Z: 10 6.839 1.661 0.442 0.504 0.889 0.333 CB 1.066 15 residues pruned to eliminate duplicates Z: 20 11.816 1.832 0.504 0.628 0.842 0.474 CB 1.036 20 residues pruned to eliminate duplicates Z: 7 2.750 1.429 0.098 0.818 1.000 0.667 CB 0.543 Z: 13 11.109 1.684 0.358 0.703 1.000 0.833 CB 1.166 13 residues pruned to eliminate duplicates Z: 10 13.375 1.745 0.469 0.898 1.000 1.000 CB 1.244 10 residues pruned to eliminate duplicates 6 1.430 1.229 0.527 0.277 0.800 0.400 CB 0.549 ? Z: 7 6.090 1.876 0.019 0.898 1.000 1.000 CB 0.930 6 residues pruned to eliminate duplicates Z: 6 5.351 1.193 0.783 0.800 1.000 0.600 N 0.865 Z: 10 7.984 1.575 0.540 0.644 1.000 0.667 CB 0.959 10 residues pruned to eliminate duplicates 7 1.725 1.448 0.751 0.321 0.667 0.333 CB 0.508 ? Z: 10 11.530 1.589 0.579 0.875 1.000 0.667 CB 1.114 Z: 10 10.862 1.663 0.512 0.798 0.889 0.667 CB 1.249 12 residues pruned to eliminate duplicates Z: 6 4.862 1.461 0.979 0.480 0.800 0.400 N 0.960 Z: 13 8.380 1.472 0.979 0.909 1.000 0.833 CB 0.589 9 residues pruned to eliminate duplicates Z: 12 12.674 1.748 0.560 0.815 1.000 0.545 CB 1.065 13 residues pruned to eliminate duplicates Z: 7 2.669 1.456 0.322 0.236 0.667 0.667 N 1.153 Z: 10 9.193 1.614 0.547 0.865 0.889 0.778 CB 1.011 9 residues pruned to eliminate duplicates Z: 26 20.614 1.717 0.691 0.931 1.000 0.880 CB 0.992 26 residues pruned to eliminate duplicates Z: 14 10.246 1.576 0.547 0.829 0.923 0.692 CB 0.950 14 residues pruned to eliminate duplicates Z: 15 12.766 1.652 0.394 0.921 1.000 1.000 CB 1.042 15 residues pruned to eliminate duplicates Z: 14 8.897 1.700 0.579 0.868 0.923 0.615 CB 0.728 18 residues pruned to eliminate duplicates Z: 32 12.325 1.772 0.420 0.447 0.871 0.548 CB 1.066 32 residues pruned to eliminate duplicates Z: 12 9.534 1.622 0.376 0.856 1.000 0.818 CB 0.950 12 residues pruned to eliminate duplicates Z: 7 4.262 1.514 0.260 0.733 1.000 0.667 CB 0.739 5 residues pruned to eliminate duplicates Z: 26 10.461 1.744 0.428 0.449 0.920 0.520 CB 0.962 26 residues pruned to eliminate duplicates Z: 10 4.834 1.689 0.348 0.869 0.889 0.778 CB 0.582 Z: 11 8.340 1.522 1.069 0.828 1.000 0.900 CB 0.631 7 residues pruned to eliminate duplicates Z: 6 2.428 1.525 -0.039 0.387 0.800 0.400 N 1.044 Z: 13 11.544 1.688 0.425 0.735 0.833 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 9 3.283 1.318 0.703 0.308 0.750 0.375 N 0.853 Z: 12 18.367 1.802 0.766 0.913 1.000 0.818 CB 1.232 12 residues pruned to eliminate duplicates Z: 20 10.745 1.770 0.261 0.616 0.842 0.474 CB 1.176 20 residues pruned to eliminate duplicates Z: 7 2.598 1.374 0.358 0.334 0.833 0.333 CB 0.818 Z: 10 11.608 1.624 0.657 0.826 1.000 0.889 CB 1.084 10 residues pruned to eliminate duplicates Z: 14 10.380 1.667 0.378 0.916 1.000 0.923 CB 0.885 13 residues pruned to eliminate duplicates Z: 11 6.445 1.653 0.373 0.276 0.900 0.500 CB 1.286 10 residues pruned to eliminate duplicates Z: 15 11.172 1.632 0.136 0.916 1.000 1.000 CB 1.137 15 residues pruned to eliminate duplicates Z: 11 11.621 1.863 0.174 0.872 1.000 1.000 CB 1.225 11 residues pruned to eliminate duplicates Z: 29 13.622 1.744 0.486 0.541 0.893 0.607 CB 1.068 29 residues pruned to eliminate duplicates Z: 9 4.902 1.568 0.530 0.360 0.750 0.500 CB 1.120 9 residues pruned to eliminate duplicates Z: 12 9.470 1.705 0.663 0.488 0.818 0.455 CB 1.246 12 residues pruned to eliminate duplicates Z: 14 16.745 1.732 0.601 0.836 1.000 0.923 CB 1.254 14 residues pruned to eliminate duplicates Z: 12 11.484 1.658 0.525 0.899 1.000 0.818 CB 0.979 13 residues pruned to eliminate duplicates Z: 6 3.437 1.630 0.313 0.444 0.800 0.400 CB 0.952 6 residues pruned to eliminate duplicates Z: 6 6.663 1.917 0.117 0.595 1.000 0.800 CB 1.271 6 residues pruned to eliminate duplicates Z: 22 16.703 1.786 0.695 0.629 0.905 0.476 CB 1.179 22 residues pruned to eliminate duplicates Z: 12 14.371 1.612 0.822 0.885 1.000 0.909 CB 1.065 10 residues pruned to eliminate duplicates Z: 8 11.132 1.654 0.432 0.805 1.000 0.571 O 1.362 9 residues pruned to eliminate duplicates Z: 7 4.772 1.434 0.137 0.640 1.000 0.833 O 1.048 Z: 6 3.802 1.022 0.721 0.720 1.000 0.400 CA 0.792 Z: 6 3.900 1.538 0.535 0.452 0.800 0.600 CB 0.970 Z: 7 2.532 1.544 0.261 0.246 0.667 0.667 CA 1.068 Z: 13 14.561 1.685 0.404 0.905 1.000 0.917 CB 1.265 Z: 9 10.292 1.714 0.304 0.855 0.875 0.750 CB 1.373 9 residues pruned to eliminate duplicates Z: 15 16.353 2.016 0.631 0.537 0.929 0.643 CB 1.381 15 residues pruned to eliminate duplicates Z: 6 2.085 1.664 -0.044 0.284 0.800 0.600 CB 0.934 Z: 8 7.784 1.523 0.537 0.587 0.857 0.429 N 1.349 Z: 7 4.120 1.607 0.474 0.541 0.833 0.500 CB 0.819 Z: 19 16.674 1.698 0.692 0.883 1.000 0.833 CB 0.989 17 residues pruned to eliminate duplicates Z: 7 6.522 1.690 0.500 0.832 1.000 0.833 CB 0.789 6 residues pruned to eliminate duplicates Z: 10 8.940 1.500 0.863 0.599 0.889 0.333 N 1.091 Z: 6 3.662 1.855 0.495 0.281 0.800 0.600 CB 0.945 Z: 32 13.762 1.661 0.598 0.509 0.839 0.548 CB 1.101 38 residues pruned to eliminate duplicates Z: 7 3.193 1.740 -0.062 0.483 0.833 0.500 CB 0.976 7 residues pruned to eliminate duplicates Z: 10 12.001 1.584 0.753 0.819 1.000 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 13 14.913 1.701 0.447 0.938 1.000 1.000 CB 1.217 13 residues pruned to eliminate duplicates Z: 7 2.799 1.291 0.932 0.253 0.667 0.333 CA 0.912 7 1.622 1.276 0.276 0.244 0.667 0.333 CB 0.819 ? Z: 9 6.679 1.391 1.062 0.609 1.000 0.625 CB 0.742 9 residues pruned to eliminate duplicates Z: 7 8.130 1.581 0.559 0.830 0.833 0.667 CB 1.215 Z: 17 7.600 1.810 0.289 0.465 0.875 0.688 CB 0.964 Z: 13 11.722 1.663 1.062 0.782 0.917 0.833 CB 0.840 13 residues pruned to eliminate duplicates Z: 12 14.430 1.809 0.455 0.855 1.000 0.909 CB 1.220 12 residues pruned to eliminate duplicates Z: 6 2.956 1.408 0.348 0.450 1.000 0.600 CB 0.734 Z: 12 11.131 1.701 0.639 0.606 0.909 0.636 N 1.197 12 residues pruned to eliminate duplicates Z: 6 4.861 1.674 0.343 0.561 0.800 0.800 N 1.139 6 residues pruned to eliminate duplicates Z: 7 3.662 1.674 0.517 0.631 0.833 0.833 CB 0.625 5 residues pruned to eliminate duplicates Z: 14 4.868 1.621 0.304 0.270 0.846 0.615 CB 0.980 Z: 15 12.024 1.982 0.528 0.552 0.929 0.643 CB 1.086 27 residues pruned to eliminate duplicates Z: 6 4.074 1.784 0.520 0.884 1.000 1.000 CB 0.485 Z: 7 3.724 1.423 -0.001 0.652 0.833 0.500 N 1.115 Z: 11 16.860 1.597 0.854 0.845 1.000 0.600 O 1.338 9 residues pruned to eliminate duplicates Z: 14 14.755 1.617 0.470 0.839 1.000 0.846 CB 1.285 13 residues pruned to eliminate duplicates Z: 12 4.847 1.544 0.352 0.414 0.909 0.636 CB 0.842 Z: 14 10.033 1.595 0.442 0.886 1.000 0.692 CB 0.873 12 residues pruned to eliminate duplicates Z: 11 4.426 1.409 0.516 0.263 0.800 0.600 CB 1.074 Z: 11 12.857 1.800 0.307 0.773 1.000 0.700 CA 1.357 11 residues pruned to eliminate duplicates Z: 10 5.108 1.309 0.486 0.787 0.889 0.556 CB 0.765 8 residues pruned to eliminate duplicates Z: 7 5.865 1.429 0.340 0.677 1.000 0.500 CB 1.062 5 residues pruned to eliminate duplicates Z: 11 9.342 1.691 0.421 0.762 0.900 0.800 CB 1.082 10 residues pruned to eliminate duplicates 6 1.966 1.100 0.306 0.862 1.000 0.800 N 0.449 ? Z: 7 2.476 1.462 0.471 0.250 0.667 0.667 CA 0.940 7 residues pruned to eliminate duplicates Z: 9 4.613 1.551 0.683 0.865 1.000 0.750 CB 0.458 Z: 9 6.733 1.765 0.467 0.538 0.750 0.500 CB 1.180 9 residues pruned to eliminate duplicates Z: 7 2.867 1.451 0.509 0.247 0.667 0.333 CB 1.074 Z: 7 5.057 1.716 0.607 0.729 1.000 0.667 CB 0.610 7 residues pruned to eliminate duplicates Z: 12 12.132 1.773 0.311 0.865 0.818 0.818 CB 1.410 12 residues pruned to eliminate duplicates Z: 22 16.061 1.856 0.683 0.569 0.857 0.619 CB 1.224 34 residues pruned to eliminate duplicates Z: 10 4.514 1.534 0.775 0.326 0.778 0.444 CB 0.860 Z: 19 11.827 1.593 0.562 0.867 0.944 0.556 CB 0.867 25 residues pruned to eliminate duplicates Z: 6 7.702 1.504 0.661 0.728 1.000 0.600 CB 1.123 Z: 9 7.189 1.665 0.199 0.856 1.000 0.750 N 0.938 7 residues pruned to eliminate duplicates Z: 10 8.565 1.506 0.426 0.792 1.000 0.556 CB 1.029 10 residues pruned to eliminate duplicates Z: 9 8.637 1.562 1.018 0.442 1.000 0.500 CA 1.028 5 residues pruned to eliminate duplicates Z: 10 2.791 1.345 0.284 0.417 0.667 0.444 CB 0.881 Z: 6 5.998 1.659 0.235 0.829 0.800 0.800 N 1.231 6 residues pruned to eliminate duplicates Z: 7 6.338 1.674 0.814 0.479 0.667 0.500 CB 1.306 7 residues pruned to eliminate duplicates Z: 6 3.663 1.410 -0.069 0.765 1.000 0.600 N 0.987 6 residues pruned to eliminate duplicates Z: 9 4.803 1.487 0.510 0.390 0.875 0.500 CB 0.971 Z: 6 2.821 1.503 0.285 0.491 0.800 0.800 CB 0.824 Z: 8 2.358 1.793 0.159 0.513 1.000 0.571 CB 0.423 8 residues pruned to eliminate duplicates Z: 12 14.484 1.880 0.356 0.692 1.000 0.636 CB 1.436 12 residues pruned to eliminate duplicates Z: 6 4.711 1.674 0.499 0.388 0.800 0.600 N 1.181 Z: 7 6.923 1.534 0.316 0.742 1.000 0.667 O 1.127 7 residues pruned to eliminate duplicates Z: 7 2.784 1.574 0.897 0.450 0.833 0.333 CB 0.481 7 residues pruned to eliminate duplicates Z: 11 19.489 1.778 0.781 0.888 1.000 0.800 N 1.402 18 residues pruned to eliminate duplicates Z: 7 5.499 1.543 0.352 0.754 1.000 0.667 CB 0.859 Z: 16 12.270 1.567 0.687 0.693 0.933 0.600 CB 1.076 16 residues pruned to eliminate duplicates Z: 8 3.672 1.455 0.752 0.387 0.857 0.571 CB 0.716 Z: 7 3.340 1.441 0.638 0.314 0.667 0.500 CA 1.065 Z: 20 15.658 1.748 0.615 0.917 1.000 0.947 CB 0.898 20 residues pruned to eliminate duplicates Z: 9 13.851 1.612 0.773 0.869 1.000 1.000 CB 1.251 9 residues pruned to eliminate duplicates Z: 7 2.267 1.589 0.855 0.791 0.667 0.500 CB 0.365 Z: 14 12.121 1.751 0.467 0.849 1.000 0.769 CB 0.970 14 residues pruned to eliminate duplicates Z: 16 10.211 1.736 0.394 0.706 0.933 0.667 CB 0.969 16 residues pruned to eliminate duplicates Z: 9 8.373 1.489 0.461 0.830 1.000 0.875 CB 1.024 9 residues pruned to eliminate duplicates Z: 6 4.290 1.711 0.931 0.805 1.000 0.600 CB 0.445 Z: 7 8.198 1.612 0.521 0.854 1.000 1.000 CB 1.008 7 residues pruned to eliminate duplicates Z: 14 6.655 1.717 0.207 0.443 0.846 0.462 CB 1.116 14 residues pruned to eliminate duplicates Z: 21 18.813 1.956 0.599 0.628 0.950 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 15 7.698 1.633 0.663 0.356 0.714 0.429 CB 1.239 15 residues pruned to eliminate duplicates Z: 9 11.264 1.530 0.543 0.835 1.000 0.500 N 1.264 9 residues pruned to eliminate duplicates Z: 6 4.572 1.433 0.522 0.284 1.000 0.400 CB 1.195 Z: 9 4.034 1.364 0.428 0.349 0.875 0.625 CB 0.985 Z: 8 4.507 1.629 0.209 0.425 1.000 0.571 CB 0.936 8 residues pruned to eliminate duplicates Z: 6 4.288 1.275 0.545 0.766 0.800 0.600 CA 0.961 Z: 15 10.208 1.793 0.219 0.834 0.857 0.786 CB 1.091 15 residues pruned to eliminate duplicates Z: 10 9.566 1.690 0.222 0.883 1.000 1.000 CB 1.116 9 residues pruned to eliminate duplicates Z: 18 12.762 1.576 0.560 0.901 0.941 0.824 CB 0.954 18 residues pruned to eliminate duplicates Z: 10 5.637 1.743 0.530 0.904 1.000 0.889 CB 0.502 11 1.740 1.425 0.364 0.212 0.700 0.400 CB 0.568 ? Z: 22 13.976 1.805 0.539 0.499 0.952 0.667 CB 1.153 25 residues pruned to eliminate duplicates Z: 12 12.180 1.586 0.528 0.823 0.909 0.818 CA 1.260 16 residues pruned to eliminate duplicates Z: 12 10.563 1.559 0.904 0.859 0.909 0.455 N 0.868 12 residues pruned to eliminate duplicates Z: 7 5.490 1.536 0.607 0.883 1.000 0.833 CB 0.656 7 residues pruned to eliminate duplicates 8 1.631 1.506 0.049 0.320 0.571 0.286 CB 0.833 ? Z: 14 9.578 1.687 0.639 0.720 0.846 0.308 CB 0.931 14 residues pruned to eliminate duplicates Z: 9 6.709 1.558 0.255 0.588 0.875 0.625 CB 1.274 Z: 14 14.256 1.704 0.621 0.799 0.923 0.462 CB 1.194 14 residues pruned to eliminate duplicates Z: 9 5.098 1.525 0.396 0.875 1.000 0.875 CB 0.615 Z: 9 5.026 1.587 0.220 0.619 0.875 0.500 CB 0.937 Z: 7 7.520 1.529 0.392 0.871 1.000 1.000 N 1.052 7 residues pruned to eliminate duplicates Z: 8 3.824 1.552 -0.124 0.801 1.000 0.714 CB 0.816 8 residues pruned to eliminate duplicates Z: 15 5.462 1.564 0.113 0.495 0.929 0.500 CB 0.908 9 residues pruned to eliminate duplicates Z: 12 7.886 1.674 0.429 0.797 0.727 0.364 CB 1.053 12 residues pruned to eliminate duplicates Z: 8 6.589 1.583 0.379 0.746 1.000 1.000 CB 0.916 Z: 8 3.619 1.620 0.739 0.326 0.714 0.286 CB 0.823 6 1.610 1.441 0.078 0.383 0.600 0.400 O 0.875 ? Z: 16 10.370 1.724 0.544 0.492 0.867 0.600 CB 1.170 13 residues pruned to eliminate duplicates Z: 13 14.003 1.616 0.478 0.906 1.000 0.917 CB 1.203 13 residues pruned to eliminate duplicates Z: 16 6.583 1.450 0.419 0.753 0.867 0.467 CB 0.761 16 residues pruned to eliminate duplicates Z: 22 12.236 1.510 0.339 0.864 0.952 0.762 CB 1.016 22 residues pruned to eliminate duplicates Z: 9 9.283 1.589 0.447 0.841 1.000 0.875 CB 1.065 10 residues pruned to eliminate duplicates Z: 13 17.232 1.667 0.791 0.850 0.917 0.417 N 1.346 13 residues pruned to eliminate duplicates Z: 13 9.628 1.662 0.156 0.886 0.917 0.833 CB 1.139 13 residues pruned to eliminate duplicates Z: 14 15.828 1.728 0.758 0.888 1.000 0.615 CB 1.041 14 residues pruned to eliminate duplicates Z: 11 8.150 1.466 0.696 0.850 1.000 0.700 CB 0.768 11 residues pruned to eliminate duplicates Z: 15 7.927 1.648 0.291 0.330 1.000 0.429 CB 1.199 12 residues pruned to eliminate duplicates Z: 9 5.885 1.614 0.459 0.735 0.750 0.375 CB 0.954 9 residues pruned to eliminate duplicates Z: 12 4.127 1.349 0.431 0.339 0.727 0.273 O 1.057 Z: 7 2.428 1.344 0.209 0.697 1.000 0.667 CB 0.510 Z: 12 13.098 1.717 0.476 0.796 1.000 0.818 CB 1.202 12 residues pruned to eliminate duplicates Z: 9 8.447 1.608 0.414 0.794 0.875 0.250 CB 1.160 9 residues pruned to eliminate duplicates Z: 17 9.438 1.669 0.441 0.663 0.875 0.812 CB 0.964 17 residues pruned to eliminate duplicates Z: 9 4.486 1.415 0.243 0.350 1.000 0.500 CB 1.061 9 residues pruned to eliminate duplicates Z: 13 17.001 1.695 0.514 0.883 1.000 0.917 CB 1.384 13 residues pruned to eliminate duplicates Z: 14 7.584 1.609 0.381 0.488 0.846 0.462 CB 1.132 14 residues pruned to eliminate duplicates Z: 9 9.093 1.458 0.582 0.889 1.000 0.875 CB 1.004 9 residues pruned to eliminate duplicates Z: 8 7.131 1.595 0.117 0.815 0.857 0.714 CB 1.342 Z: 9 6.582 1.444 0.401 0.835 0.875 0.875 CB 0.985 16 residues pruned to eliminate duplicates Z: 6 2.971 1.347 0.481 0.746 0.800 0.600 N 0.668 Z: 13 14.454 1.683 0.916 0.750 0.917 0.417 CB 1.130 13 residues pruned to eliminate duplicates Z: 9 4.658 1.817 0.300 0.725 0.750 0.625 CB 0.759 9 residues pruned to eliminate duplicates Z: 6 2.790 1.409 0.051 0.477 0.800 0.800 N 1.078 5 residues pruned to eliminate duplicates Z: 8 9.094 1.596 0.689 0.825 1.000 0.714 CB 0.962 7 residues pruned to eliminate duplicates Z: 10 4.143 1.507 0.196 0.350 1.000 0.333 CB 0.902 Z: 8 5.365 1.424 0.699 0.769 0.857 0.429 CB 0.771 8 residues pruned to eliminate duplicates Z: 14 4.459 1.517 0.435 0.530 0.769 0.385 CB 0.717 14 residues pruned to eliminate duplicates Z: 8 3.169 1.515 0.370 0.262 0.714 0.429 N 1.060 Z: 14 20.417 1.783 0.664 0.897 1.000 0.692 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 10.881 1.769 0.748 0.610 0.917 0.667 CB 0.999 13 residues pruned to eliminate duplicates Z: 6 2.398 1.367 0.145 0.301 0.800 0.600 N 1.069 Z: 8 8.096 1.731 0.415 0.812 1.000 0.714 CB 0.952 8 residues pruned to eliminate duplicates Z: 13 11.053 1.727 0.657 0.861 0.917 0.667 CB 0.894 13 residues pruned to eliminate duplicates Z: 13 18.987 1.789 0.770 0.838 1.000 0.667 CB 1.293 13 residues pruned to eliminate duplicates Z: 10 9.241 1.602 1.034 0.929 1.000 0.889 CB 0.661 10 residues pruned to eliminate duplicates Z: 14 13.911 1.674 0.867 0.840 0.923 0.538 CB 0.998 14 residues pruned to eliminate duplicates Z: 12 7.079 1.652 0.452 0.882 1.000 0.909 CB 0.644 5 residues pruned to eliminate duplicates Z: 19 8.467 1.672 0.313 0.518 0.778 0.444 CB 1.147 21 residues pruned to eliminate duplicates 6 1.614 1.384 0.614 0.349 0.400 0.400 O 0.952 ? Z: 10 6.384 1.513 0.414 0.886 1.000 0.889 CB 0.718 10 residues pruned to eliminate duplicates Z: 21 13.152 1.623 0.303 0.904 0.950 0.900 CB 1.042 21 residues pruned to eliminate duplicates Z: 6 4.109 1.508 0.172 0.572 1.000 0.400 CB 0.969 Z: 8 4.575 1.543 0.360 0.487 0.857 0.571 CB 0.974 Z: 7 3.788 1.548 -0.110 0.486 1.000 0.500 N 1.138 7 residues pruned to eliminate duplicates Z: 8 5.381 1.573 0.470 0.495 0.714 0.571 CB 1.237 8 residues pruned to eliminate duplicates 6 1.462 1.322 -0.164 0.289 0.800 0.200 O 0.938 ? Z: 6 7.497 1.326 1.371 0.815 0.800 0.800 CB 1.014 Z: 14 4.803 1.531 0.357 0.363 0.923 0.231 CB 0.805 14 residues pruned to eliminate duplicates Z: 20 10.631 1.620 0.658 0.523 0.789 0.474 N 1.124 19 residues pruned to eliminate duplicates Z: 7 2.721 1.617 0.174 0.366 0.833 0.667 CB 0.811 Z: 17 9.043 1.511 0.467 0.483 0.875 0.500 O 1.187 18 residues pruned to eliminate duplicates Z: 7 2.340 1.535 0.357 0.900 1.000 1.000 CB 0.328 Z: 10 3.762 1.564 0.418 0.594 0.889 0.667 CB 0.581 Z: 12 20.924 1.886 0.917 0.828 1.000 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 7 5.566 1.646 0.481 0.881 1.000 1.000 CB 0.675 7 residues pruned to eliminate duplicates Z: 23 15.287 1.792 0.560 0.556 0.864 0.545 CB 1.278 23 residues pruned to eliminate duplicates Z: 10 7.282 1.326 0.407 0.810 0.889 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 19 10.663 1.653 0.606 0.857 0.889 0.889 CB 0.785 19 residues pruned to eliminate duplicates Z: 10 8.480 1.442 0.326 0.906 1.000 0.889 CB 1.051 Z: 8 5.704 1.543 0.336 0.440 1.000 0.429 CB 1.112 Z: 10 13.398 1.764 0.357 0.814 1.000 1.000 CB 1.420 10 residues pruned to eliminate duplicates Z: 15 13.339 1.736 0.662 0.787 1.000 0.714 CB 0.959 15 residues pruned to eliminate duplicates Z: 9 6.046 1.474 0.219 0.862 1.000 1.000 CB 0.873 9 residues pruned to eliminate duplicates Z: 11 11.285 1.530 0.357 0.893 1.000 1.000 O 1.234 12 residues pruned to eliminate duplicates Z: 14 3.881 1.689 0.086 0.528 0.692 0.615 CB 0.824 Z: 6 2.449 1.265 0.557 0.297 0.800 0.400 CB 0.872 Z: 8 3.564 1.516 0.556 0.409 0.857 0.429 N 0.733 8 residues pruned to eliminate duplicates Z: 11 6.858 1.322 0.433 0.832 1.000 0.700 CB 0.860 10 residues pruned to eliminate duplicates Z: 13 9.011 1.523 0.569 0.854 0.917 0.500 CB 0.877 13 residues pruned to eliminate duplicates 7 1.884 1.317 0.493 0.280 0.500 0.333 O 1.003 ? Z: 7 5.079 1.222 0.368 0.821 1.000 0.667 N 0.939 Z: 6 4.072 1.441 0.556 0.484 0.800 0.600 N 1.031 Z: 10 7.067 1.421 0.801 0.450 0.889 0.778 CB 1.090 Z: 10 6.862 1.486 0.360 0.668 0.778 0.556 CB 1.246 Z: 7 3.066 1.406 0.855 0.257 0.667 0.500 CA 0.951 Z: 23 19.114 1.819 0.702 0.897 1.000 0.773 CB 0.942 23 residues pruned to eliminate duplicates Z: 9 8.230 1.627 0.889 0.844 0.750 0.500 CB 0.940 9 residues pruned to eliminate duplicates Z: 14 11.224 1.612 0.377 0.584 1.000 0.769 CB 1.294 14 residues pruned to eliminate duplicates Z: 7 5.804 1.363 0.673 0.858 1.000 0.833 CB 0.765 Z: 12 7.265 1.568 0.159 0.835 0.818 0.727 CB 1.103 12 residues pruned to eliminate duplicates Z: 14 5.252 1.473 0.537 0.386 0.769 0.462 CB 0.944 11 residues pruned to eliminate duplicates Z: 7 7.001 1.468 0.674 0.742 0.833 0.333 CB 1.124 8 residues pruned to eliminate duplicates 6 1.141 1.203 0.356 0.422 0.600 0.400 N 0.566 ? 7 1.875 1.366 0.342 0.212 0.667 0.167 CB 0.880 ? Z: 6 3.320 1.554 0.038 0.405 0.800 0.400 O 1.272 Z: 6 5.903 1.731 0.062 0.564 1.000 0.800 CB 1.349 Z: 15 12.718 1.663 0.676 0.630 0.857 0.500 N 1.259 12 residues pruned to eliminate duplicates Z: 8 2.469 1.333 0.172 0.291 0.714 0.286 CB 1.057 Z: 7 4.541 1.256 1.064 0.712 1.000 0.500 CB 0.590 Z: 7 2.813 1.681 0.246 0.661 0.833 0.500 CB 0.567 Z: 6 2.588 1.084 0.803 0.795 1.000 0.400 C 0.457 Z: 6 2.244 1.469 0.081 0.324 0.800 0.400 CB 0.959 Z: 13 11.397 1.600 0.504 0.800 0.917 0.583 CB 1.147 13 residues pruned to eliminate duplicates Z: 12 12.118 1.523 0.617 0.859 1.000 0.636 CB 1.092 12 residues pruned to eliminate duplicates Z: 12 9.295 1.731 0.624 0.896 1.000 0.818 CB 0.714 12 residues pruned to eliminate duplicates Z: 9 2.429 1.331 0.176 0.296 0.750 0.375 N 0.919 Using tripeptides from previous cycle as seeds Z: 8 2.931 1.410 0.370 0.345 0.714 0.429 CB 0.949 4 residues pruned to eliminate duplicates Z: 13 17.436 1.761 0.473 0.851 1.000 0.667 N 1.436 14 residues pruned to eliminate duplicates Z: 13 16.486 1.770 0.569 0.815 0.917 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 13 14.223 1.725 0.376 0.806 0.917 0.667 N 1.445 13 residues pruned to eliminate duplicates Z: 14 12.026 1.718 0.323 0.697 0.923 0.615 CB 1.328 14 residues pruned to eliminate duplicates Z: 20 11.976 1.737 0.331 0.558 0.842 0.474 CB 1.335 33 residues pruned to eliminate duplicates Z: 13 13.043 1.735 0.426 0.758 0.917 0.667 CB 1.320 Z: 13 13.798 1.613 0.408 0.851 1.000 0.750 CB 1.297 13 residues pruned to eliminate duplicates Z: 13 17.839 1.751 0.583 0.899 0.917 0.917 CB 1.448 13 residues pruned to eliminate duplicates Z: 13 16.604 1.728 0.590 0.845 0.917 0.833 CB 1.414 13 residues pruned to eliminate duplicates Z: 23 10.210 1.657 0.479 0.525 0.818 0.545 CB 1.059 14 residues pruned to eliminate duplicates Z: 13 16.663 1.740 0.417 0.881 1.000 1.000 CB 1.412 13 residues pruned to eliminate duplicates Z: 29 12.385 1.564 0.398 0.585 0.857 0.607 CB 1.151 28 residues pruned to eliminate duplicates Z: 6 6.008 1.465 1.080 0.480 1.000 0.800 CA 0.900 9 residues pruned to eliminate duplicates Z: 6 4.152 1.475 0.302 0.443 1.000 0.600 O 1.024 4 residues pruned to eliminate duplicates Z: 7 3.551 1.414 0.300 0.642 0.667 0.500 N 1.035 7 residues pruned to eliminate duplicates Z: 12 7.524 1.699 0.347 0.408 0.818 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 6 3.129 1.513 0.068 0.659 0.800 0.600 O 0.934 6 residues pruned to eliminate duplicates Z: 7 4.894 1.528 0.159 0.564 1.000 0.167 CB 1.061 7 residues pruned to eliminate duplicates Z: 12 4.538 1.680 -0.133 0.494 0.818 0.455 CB 1.155 Z: 9 8.775 1.648 0.190 0.790 1.000 0.750 CB 1.227 21 residues pruned to eliminate duplicates Z: 18 11.706 1.632 0.640 0.538 0.824 0.412 CB 1.240 16 residues pruned to eliminate duplicates Z: 7 9.941 1.604 0.548 0.861 1.000 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 23 10.141 1.803 0.484 0.518 0.864 0.682 CB 0.919 23 residues pruned to eliminate duplicates Z: 14 10.036 1.861 0.482 0.581 0.846 0.615 CB 1.103 14 residues pruned to eliminate duplicates Z: 14 13.646 1.994 0.574 0.591 0.923 0.538 CB 1.197 14 residues pruned to eliminate duplicates Z: 26 14.474 1.737 0.692 0.465 0.880 0.520 CB 1.159 26 residues pruned to eliminate duplicates Z: 14 15.985 1.830 0.630 0.787 0.923 0.615 CB 1.251 14 residues pruned to eliminate duplicates Z: 13 14.229 1.962 0.512 0.618 0.917 0.583 CB 1.350 13 residues pruned to eliminate duplicates Z: 20 14.198 1.785 0.552 0.581 0.947 0.579 CB 1.148 21 residues pruned to eliminate duplicates Z: 15 10.810 1.825 0.403 0.624 0.857 0.500 CB 1.172 15 residues pruned to eliminate duplicates Z: 16 9.592 1.886 0.222 0.542 0.933 0.600 CB 1.105 16 residues pruned to eliminate duplicates 6 1.734 1.285 0.346 0.230 0.600 0.200 CB 1.023 ? Z: 6 2.087 1.294 0.160 0.306 0.800 0.400 N 0.964 Z: 13 14.711 1.711 0.538 0.831 0.917 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 11 11.743 1.801 0.230 0.873 1.000 0.800 CB 1.221 11 residues pruned to eliminate duplicates Z: 12 15.044 1.810 0.485 0.927 1.000 0.909 CB 1.183 12 residues pruned to eliminate duplicates Z: 11 15.106 1.803 0.452 0.911 1.000 1.000 CB 1.293 11 residues pruned to eliminate duplicates Z: 17 13.357 1.725 0.463 0.748 0.938 0.625 CB 1.131 17 residues pruned to eliminate duplicates Z: 13 15.632 1.829 0.630 0.830 1.000 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 13 14.518 1.815 0.626 0.843 1.000 0.833 CB 1.057 13 residues pruned to eliminate duplicates Z: 13 14.982 1.830 0.687 0.843 0.917 0.667 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 20.335 1.826 0.712 0.923 1.000 1.000 CB 1.379 13 residues pruned to eliminate duplicates Z: 14 17.776 1.695 0.610 0.929 1.000 0.846 CB 1.264 14 residues pruned to eliminate duplicates Z: 14 19.860 1.781 0.738 0.893 1.000 0.846 CB 1.277 13 residues pruned to eliminate duplicates Z: 14 17.705 1.707 0.699 0.934 1.000 0.846 CB 1.181 14 residues pruned to eliminate duplicates Z: 12 17.869 1.818 0.792 0.936 1.000 0.818 CB 1.152 12 residues pruned to eliminate duplicates Z: 17 14.547 1.585 0.345 0.882 1.000 0.750 CB 1.234 16 residues pruned to eliminate duplicates Z: 14 15.534 1.685 0.441 0.879 1.000 0.538 CB 1.287 14 residues pruned to eliminate duplicates Z: 13 15.759 1.728 0.503 0.768 1.000 0.667 N 1.381 13 residues pruned to eliminate duplicates Z: 13 16.261 1.714 0.565 0.778 1.000 0.667 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 17.211 1.745 0.512 0.830 1.000 0.500 CB 1.311 15 residues pruned to eliminate duplicates Z: 13 15.837 1.696 0.776 0.814 1.000 0.750 N 1.155 14 residues pruned to eliminate duplicates Z: 13 17.620 1.721 0.592 0.858 1.000 0.833 N 1.367 13 residues pruned to eliminate duplicates Z: 14 16.173 1.708 0.478 0.845 1.000 0.615 N 1.321 14 residues pruned to eliminate duplicates Z: 11 11.893 1.727 0.578 0.757 0.900 0.600 N 1.221 11 residues pruned to eliminate duplicates Z: 15 17.943 1.738 0.608 0.825 1.000 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 16 14.330 1.654 0.604 0.791 0.933 0.800 CB 1.157 16 residues pruned to eliminate duplicates Z: 15 13.082 1.697 0.591 0.878 0.929 0.786 CB 1.012 15 residues pruned to eliminate duplicates Z: 19 15.826 1.707 0.577 0.890 0.944 0.611 CB 1.056 19 residues pruned to eliminate duplicates Z: 6 5.160 1.786 0.083 0.758 0.800 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 8 6.754 1.728 0.224 0.847 1.000 0.571 CB 0.896 8 residues pruned to eliminate duplicates Z: 8 6.158 1.674 0.277 0.840 0.857 0.571 CB 0.948 8 residues pruned to eliminate duplicates Z: 8 6.415 1.750 0.084 0.869 1.000 0.857 CB 0.933 8 residues pruned to eliminate duplicates Z: 7 7.105 1.732 0.447 0.794 0.833 0.833 CB 1.073 7 residues pruned to eliminate duplicates Z: 20 16.188 1.683 0.806 0.887 0.947 0.737 CB 0.930 20 residues pruned to eliminate duplicates Z: 10 10.543 1.779 0.212 0.691 0.889 0.889 O 1.540 10 residues pruned to eliminate duplicates Z: 12 13.602 1.713 0.337 0.846 1.000 0.727 CB 1.330 12 residues pruned to eliminate duplicates Z: 15 9.186 1.705 0.570 0.458 0.786 0.500 CB 1.219 9 residues pruned to eliminate duplicates Z: 12 13.242 1.726 0.255 0.885 1.000 1.000 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 15.285 1.910 0.498 0.875 1.000 0.875 CB 1.373 11 residues pruned to eliminate duplicates Z: 11 15.430 1.736 0.687 0.823 0.900 0.800 CA 1.398 16 residues pruned to eliminate duplicates Z: 12 14.828 1.729 0.581 0.865 1.000 0.727 CB 1.199 13 residues pruned to eliminate duplicates Z: 11 16.212 1.724 0.542 0.893 1.000 1.000 CB 1.385 11 residues pruned to eliminate duplicates Z: 15 12.597 1.760 0.501 0.730 1.000 0.857 CB 1.036 9 residues pruned to eliminate duplicates Z: 13 11.680 1.671 0.459 0.811 0.917 0.833 CB 1.151 13 residues pruned to eliminate duplicates Z: 8 4.909 1.496 1.127 0.325 0.714 0.571 CB 0.990 8 residues pruned to eliminate duplicates Z: 8 3.114 1.374 0.390 0.166 0.857 0.286 CB 1.079 Z: 6 3.023 1.337 0.434 0.441 1.000 1.000 N 0.750 8 residues pruned to eliminate duplicates Z: 12 12.787 1.933 0.337 0.741 0.909 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 13 13.166 1.996 0.339 0.699 0.917 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 12 12.240 1.982 0.377 0.708 0.909 0.727 CB 1.231 12 residues pruned to eliminate duplicates Z: 16 10.813 1.815 0.441 0.620 0.800 0.600 CB 1.191 16 residues pruned to eliminate duplicates Z: 13 11.544 1.919 0.282 0.681 0.917 0.583 CB 1.251 13 residues pruned to eliminate duplicates Z: 19 10.057 1.747 0.311 0.580 0.944 0.667 CB 1.014 19 residues pruned to eliminate duplicates Z: 14 12.296 1.842 0.374 0.708 0.923 0.462 CA 1.209 14 residues pruned to eliminate duplicates Z: 18 13.055 1.803 0.514 0.570 0.882 0.471 CB 1.228 18 residues pruned to eliminate duplicates Z: 20 13.120 1.769 0.540 0.544 0.895 0.632 CB 1.183 13 residues pruned to eliminate duplicates Z: 13 15.523 1.879 0.605 0.795 1.000 0.667 CB 1.148 13 residues pruned to eliminate duplicates Z: 20 10.843 1.741 0.499 0.538 0.842 0.474 CB 1.090 20 residues pruned to eliminate duplicates Z: 13 15.292 1.952 0.431 0.743 1.000 0.667 CB 1.271 13 residues pruned to eliminate duplicates Z: 26 10.648 1.771 0.494 0.434 0.800 0.480 CB 1.077 20 residues pruned to eliminate duplicates Z: 15 11.128 1.605 0.209 0.917 1.000 0.857 CB 1.082 15 residues pruned to eliminate duplicates Z: 8 4.345 1.467 0.302 0.660 1.000 0.571 CB 0.741 8 residues pruned to eliminate duplicates Z: 17 12.800 1.733 0.358 0.707 1.000 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 19 14.378 1.625 0.486 0.698 1.000 0.667 CB 1.172 19 residues pruned to eliminate duplicates Z: 20 13.384 1.656 0.500 0.670 0.895 0.579 CB 1.181 20 residues pruned to eliminate duplicates Z: 16 15.489 1.713 0.663 0.712 0.933 0.600 CB 1.241 21 residues pruned to eliminate duplicates Z: 13 14.893 1.690 0.464 0.887 1.000 0.750 CB 1.253 13 residues pruned to eliminate duplicates Z: 16 13.130 1.765 0.427 0.700 0.933 0.600 CB 1.202 16 residues pruned to eliminate duplicates Z: 19 14.799 1.654 0.475 0.675 0.944 0.722 CB 1.289 21 residues pruned to eliminate duplicates Z: 13 14.713 1.710 0.470 0.928 1.000 0.917 CB 1.183 13 residues pruned to eliminate duplicates Z: 14 13.704 1.751 0.568 0.773 0.923 0.692 CB 1.178 14 residues pruned to eliminate duplicates Z: 18 18.685 1.702 0.716 0.715 0.941 0.529 CB 1.356 15 residues pruned to eliminate duplicates Z: 12 14.528 1.816 0.487 0.900 1.000 0.727 CB 1.159 12 residues pruned to eliminate duplicates Z: 23 14.779 1.730 0.434 0.688 0.955 0.545 CB 1.119 18 residues pruned to eliminate duplicates Z: 19 11.781 1.621 0.307 0.729 0.944 0.500 CB 1.129 20 residues pruned to eliminate duplicates Z: 11 6.398 1.385 0.199 0.597 0.900 0.300 C 1.234 Z: 13 13.977 1.763 0.582 0.728 0.917 0.583 CB 1.286 13 residues pruned to eliminate duplicates Z: 15 14.979 1.769 0.765 0.621 0.929 0.429 CB 1.232 15 residues pruned to eliminate duplicates Z: 11 17.640 1.803 0.519 0.909 1.000 0.900 N 1.445 12 residues pruned to eliminate duplicates Z: 8 16.027 1.916 0.529 0.831 1.000 0.714 CB 1.554 8 residues pruned to eliminate duplicates Z: 8 16.275 1.918 0.662 0.857 0.857 0.429 CB 1.658 8 residues pruned to eliminate duplicates Z: 13 17.983 1.837 0.446 0.794 1.000 0.750 CB 1.510 13 residues pruned to eliminate duplicates Z: 15 12.595 1.675 0.476 0.697 0.857 0.643 CB 1.327 15 residues pruned to eliminate duplicates Z: 14 14.194 1.821 0.462 0.689 1.000 0.692 CB 1.244 14 residues pruned to eliminate duplicates Z: 12 19.461 1.817 0.601 0.899 1.000 0.909 N 1.442 12 residues pruned to eliminate duplicates Z: 11 21.876 1.849 0.819 0.891 1.000 0.800 N 1.478 12 residues pruned to eliminate duplicates Z: 12 22.061 1.813 0.787 0.914 1.000 1.000 N 1.452 17 residues pruned to eliminate duplicates Z: 13 19.547 1.786 0.534 0.879 1.000 0.833 N 1.494 13 residues pruned to eliminate duplicates Z: 11 13.073 1.674 0.424 0.855 1.000 0.500 CB 1.280 11 residues pruned to eliminate duplicates Z: 11 12.194 1.707 0.339 0.864 1.000 0.500 CB 1.237 10 residues pruned to eliminate duplicates Z: 10 11.039 1.633 0.400 0.864 0.889 0.444 N 1.327 10 residues pruned to eliminate duplicates Z: 9 11.850 1.880 0.431 0.799 1.000 0.500 CB 1.199 9 residues pruned to eliminate duplicates Z: 10 11.072 1.819 0.381 0.823 0.889 0.556 CB 1.249 10 residues pruned to eliminate duplicates Z: 10 11.635 1.822 0.452 0.783 0.889 0.556 CB 1.285 10 residues pruned to eliminate duplicates Z: 11 16.473 1.713 0.627 0.898 1.000 0.600 N 1.338 12 residues pruned to eliminate duplicates Z: 11 9.540 1.704 0.492 0.768 0.800 0.600 N 1.169 11 residues pruned to eliminate duplicates Z: 11 8.427 1.734 0.554 0.683 0.800 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 10 12.180 1.788 0.449 0.866 1.000 0.778 N 1.147 10 residues pruned to eliminate duplicates Z: 13 10.118 1.614 0.447 0.775 0.917 0.417 CB 1.070 12 residues pruned to eliminate duplicates Z: 14 8.723 1.473 0.629 0.758 0.923 0.615 CB 0.869 14 residues pruned to eliminate duplicates Z: 10 7.787 1.574 0.659 0.794 0.667 0.556 CB 1.152 10 residues pruned to eliminate duplicates Z: 10 6.689 1.494 0.756 0.779 0.889 0.667 CB 0.748 10 residues pruned to eliminate duplicates Z: 6 7.018 1.570 0.770 0.716 0.800 0.200 CB 1.161 6 residues pruned to eliminate duplicates Z: 11 6.952 1.591 0.538 0.738 0.900 0.700 CB 0.806 11 residues pruned to eliminate duplicates Z: 11 9.613 1.568 0.485 0.701 1.000 0.600 CB 1.086 11 residues pruned to eliminate duplicates Z: 11 9.342 1.555 0.475 0.696 1.000 0.600 CB 1.077 11 residues pruned to eliminate duplicates Z: 15 10.384 1.509 0.625 0.724 1.000 0.643 CB 0.925 15 residues pruned to eliminate duplicates Z: 11 10.719 1.606 0.686 0.814 1.000 0.800 CB 0.952 11 residues pruned to eliminate duplicates Z: 7 4.645 1.539 0.513 0.726 0.833 0.833 CB 0.797 7 residues pruned to eliminate duplicates Z: 13 9.164 1.603 0.727 0.694 0.917 0.750 CB 0.873 15 residues pruned to eliminate duplicates Z: 6 6.603 1.657 0.442 0.765 0.800 0.600 CB 1.221 5 residues pruned to eliminate duplicates Z: 17 16.471 1.750 0.466 0.899 1.000 0.875 CB 1.148 17 residues pruned to eliminate duplicates Z: 15 15.568 1.821 0.524 0.894 1.000 0.857 CB 1.076 16 residues pruned to eliminate duplicates Z: 15 14.268 1.829 0.387 0.905 1.000 0.929 CB 1.070 15 residues pruned to eliminate duplicates Z: 11 9.603 1.766 0.523 0.540 0.800 0.600 CB 1.358 11 residues pruned to eliminate duplicates Z: 16 12.348 1.654 0.644 0.606 0.933 0.667 CB 1.136 16 residues pruned to eliminate duplicates Z: 20 14.895 1.702 0.462 0.708 0.947 0.579 CB 1.200 18 residues pruned to eliminate duplicates Z: 15 16.444 1.773 0.553 0.916 1.000 0.714 CB 1.127 18 residues pruned to eliminate duplicates Z: 16 20.425 1.791 0.685 0.906 1.000 0.733 CB 1.243 16 residues pruned to eliminate duplicates Z: 16 20.437 1.828 0.610 0.915 1.000 0.867 CB 1.268 16 residues pruned to eliminate duplicates Z: 15 17.889 1.801 0.670 0.899 1.000 0.714 CB 1.136 15 residues pruned to eliminate duplicates Z: 9 5.792 1.723 0.443 0.632 0.875 0.625 CB 0.832 9 residues pruned to eliminate duplicates Z: 14 7.035 1.738 0.325 0.522 0.846 0.462 CB 0.980 14 residues pruned to eliminate duplicates Z: 10 4.971 1.675 0.579 0.553 0.889 0.667 CB 0.669 10 residues pruned to eliminate duplicates Z: 10 8.481 1.565 0.765 0.647 0.889 0.556 CB 1.004 9 residues pruned to eliminate duplicates Z: 6 2.950 1.068 0.615 0.360 1.000 0.800 N 0.890 6 residues pruned to eliminate duplicates Z: 10 5.361 1.506 0.933 0.342 0.667 0.222 CB 1.093 10 residues pruned to eliminate duplicates Z: 8 8.205 1.694 0.454 0.691 0.857 0.714 N 1.233 7 residues pruned to eliminate duplicates Z: 8 6.832 1.651 0.493 0.722 0.714 0.571 CB 1.200 8 residues pruned to eliminate duplicates Z: 11 11.693 1.591 0.494 0.840 1.000 0.900 CB 1.161 12 residues pruned to eliminate duplicates Z: 10 9.890 1.557 0.825 0.798 1.000 0.889 CB 0.894 10 residues pruned to eliminate duplicates Z: 10 10.582 1.664 0.762 0.723 0.889 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 12 7.461 1.645 0.418 0.666 0.818 0.636 CB 1.011 12 residues pruned to eliminate duplicates Z: 16 6.341 1.486 0.368 0.514 0.933 0.533 CB 0.851 18 residues pruned to eliminate duplicates Z: 10 9.714 1.644 0.214 0.801 1.000 0.778 CB 1.247 10 residues pruned to eliminate duplicates Z: 10 12.440 1.641 0.573 0.849 1.000 0.556 CB 1.191 10 residues pruned to eliminate duplicates Z: 10 10.631 1.625 0.304 0.787 1.000 0.667 CB 1.300 10 residues pruned to eliminate duplicates Z: 8 8.658 1.609 0.441 0.588 1.000 0.571 CB 1.298 7 residues pruned to eliminate duplicates Z: 8 9.435 1.632 0.379 0.778 1.000 0.429 O 1.240 8 residues pruned to eliminate duplicates Z: 9 5.086 1.753 0.473 0.419 0.750 0.625 CB 1.010 5 residues pruned to eliminate duplicates Z: 11 12.997 1.708 0.755 0.720 0.900 0.600 CA 1.249 11 residues pruned to eliminate duplicates Z: 22 10.472 1.689 0.844 0.488 0.714 0.381 CB 1.040 24 residues pruned to eliminate duplicates Z: 9 14.929 1.756 0.989 0.863 0.875 0.875 N 1.266 9 residues pruned to eliminate duplicates Z: 13 13.810 1.763 0.825 0.700 0.917 0.833 CB 1.127 13 residues pruned to eliminate duplicates Z: 9 12.407 1.884 1.067 0.556 0.750 0.500 N 1.423 9 residues pruned to eliminate duplicates Z: 9 9.419 1.672 1.143 0.618 0.750 0.625 N 1.109 9 residues pruned to eliminate duplicates Z: 8 10.180 1.974 1.075 0.658 0.571 0.571 N 1.419 8 residues pruned to eliminate duplicates Z: 8 10.785 1.820 1.009 0.555 0.714 0.429 CA 1.479 8 residues pruned to eliminate duplicates Z: 8 16.444 1.783 1.069 0.797 1.000 0.857 CA 1.299 8 residues pruned to eliminate duplicates Z: 15 14.566 1.597 0.923 0.512 0.929 0.500 CB 1.349 15 residues pruned to eliminate duplicates Z: 8 18.117 1.796 1.085 0.802 1.000 0.857 CA 1.404 8 residues pruned to eliminate duplicates Z: 8 3.467 1.290 0.777 0.390 0.714 0.000 N 0.899 Z: 14 14.440 1.576 0.821 0.871 1.000 0.769 CB 1.018 14 residues pruned to eliminate duplicates Z: 17 11.084 1.722 0.407 0.839 0.938 0.812 CB 0.911 17 residues pruned to eliminate duplicates Z: 15 9.731 1.714 0.701 0.894 1.000 0.929 CB 0.640 15 residues pruned to eliminate duplicates Z: 20 12.444 1.749 0.486 0.885 0.947 0.737 CB 0.837 20 residues pruned to eliminate duplicates Z: 12 7.884 1.741 0.546 0.844 0.909 0.818 CB 0.723 12 residues pruned to eliminate duplicates Z: 17 10.694 1.792 0.220 0.870 1.000 0.750 CB 0.893 17 residues pruned to eliminate duplicates Z: 15 7.773 1.722 0.431 0.722 1.000 0.857 CB 0.690 15 residues pruned to eliminate duplicates Z: 17 11.134 1.795 0.506 0.711 0.875 0.688 CB 0.972 17 residues pruned to eliminate duplicates Z: 17 9.258 1.779 0.335 0.789 0.938 0.688 CB 0.806 17 residues pruned to eliminate duplicates Z: 16 8.863 1.803 0.465 0.731 0.933 0.600 CB 0.754 16 residues pruned to eliminate duplicates Z: 17 11.704 1.809 0.564 0.894 1.000 0.875 CB 0.742 17 residues pruned to eliminate duplicates Z: 15 9.557 1.789 0.651 0.826 0.857 0.857 CB 0.761 15 residues pruned to eliminate duplicates Z: 15 10.474 1.850 0.425 0.774 0.929 0.786 CB 0.898 15 residues pruned to eliminate duplicates Z: 8 8.863 1.694 0.318 0.879 1.000 0.857 CB 1.088 8 residues pruned to eliminate duplicates Z: 8 11.420 1.641 0.710 0.832 1.000 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 17 12.506 1.811 0.701 0.875 1.000 0.625 CB 0.738 17 residues pruned to eliminate duplicates Z: 17 11.153 1.790 0.774 0.860 0.938 0.562 CB 0.689 17 residues pruned to eliminate duplicates Z: 20 13.554 1.678 0.819 0.843 0.895 0.632 CB 0.848 20 residues pruned to eliminate duplicates Z: 19 13.894 1.748 0.854 0.907 0.944 0.667 CB 0.760 19 residues pruned to eliminate duplicates Z: 18 12.256 1.744 0.700 0.848 1.000 0.529 CB 0.743 18 residues pruned to eliminate duplicates Z: 14 4.415 1.409 0.105 0.343 0.923 0.538 CB 1.010 8 residues pruned to eliminate duplicates Z: 6 5.232 1.466 0.431 0.444 1.000 0.400 O 1.182 6 residues pruned to eliminate duplicates Z: 7 2.782 1.568 0.110 0.263 0.833 0.333 O 1.026 7 residues pruned to eliminate duplicates Z: 8 2.602 1.393 0.117 0.223 0.857 0.571 O 1.020 8 residues pruned to eliminate duplicates Z: 7 3.559 1.556 0.403 0.244 0.833 0.333 O 1.074 7 residues pruned to eliminate duplicates Z: 17 11.642 1.703 0.517 0.508 1.000 0.625 CB 1.117 28 residues pruned to eliminate duplicates Z: 8 8.051 1.661 0.347 0.817 0.857 0.714 N 1.205 9 residues pruned to eliminate duplicates Z: 7 5.617 1.669 0.335 0.777 0.667 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 20 9.998 1.643 0.386 0.549 0.895 0.526 CB 1.073 20 residues pruned to eliminate duplicates Z: 18 12.367 1.705 0.621 0.525 0.941 0.706 CB 1.125 16 residues pruned to eliminate duplicates Z: 10 8.706 1.705 0.441 0.717 0.889 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 17 10.082 1.686 0.801 0.523 0.938 0.750 CB 0.866 17 residues pruned to eliminate duplicates Z: 11 7.509 1.613 0.613 0.364 0.800 0.400 CB 1.320 11 residues pruned to eliminate duplicates Z: 7 3.895 1.523 0.831 0.293 0.667 0.667 CB 1.078 7 residues pruned to eliminate duplicates Z: 10 9.770 1.790 0.555 0.388 0.889 0.333 CB 1.482 10 residues pruned to eliminate duplicates Z: 6 4.178 1.229 0.958 0.344 1.000 0.600 CB 0.920 7 residues pruned to eliminate duplicates Z: 13 16.849 1.678 0.570 0.769 1.000 0.750 CA 1.456 14 residues pruned to eliminate duplicates Z: 13 17.013 1.758 0.511 0.781 1.000 0.917 N 1.443 12 residues pruned to eliminate duplicates Z: 10 14.911 1.784 0.621 0.858 0.889 0.889 N 1.423 10 residues pruned to eliminate duplicates Z: 11 9.709 1.722 0.434 0.739 0.800 0.700 CB 1.254 11 residues pruned to eliminate duplicates Z: 11 11.856 1.818 0.390 0.716 0.800 0.400 N 1.525 11 residues pruned to eliminate duplicates Z: 19 14.810 1.780 0.616 0.627 1.000 0.667 CB 1.076 18 residues pruned to eliminate duplicates Z: 8 10.392 1.700 0.636 0.838 0.857 0.857 CB 1.231 8 residues pruned to eliminate duplicates Z: 14 11.863 1.691 0.571 0.587 0.846 0.615 CA 1.347 14 residues pruned to eliminate duplicates Z: 13 16.323 1.777 0.833 0.692 0.833 0.583 CB 1.456 13 residues pruned to eliminate duplicates Z: 21 12.997 1.682 0.740 0.531 0.800 0.600 CB 1.204 14 residues pruned to eliminate duplicates Z: 11 21.048 1.742 0.954 0.867 1.000 0.300 N 1.431 11 residues pruned to eliminate duplicates Z: 17 13.654 1.705 0.613 0.648 0.875 0.500 N 1.236 17 residues pruned to eliminate duplicates Z: 18 15.303 1.772 0.609 0.667 0.824 0.647 CB 1.354 19 residues pruned to eliminate duplicates Z: 15 11.012 1.756 0.752 0.503 0.714 0.357 CB 1.335 15 residues pruned to eliminate duplicates Z: 9 2.468 1.543 0.860 0.319 0.750 0.500 CB 0.495 7 residues pruned to eliminate duplicates Z: 6 6.094 1.476 0.866 0.357 1.000 0.800 O 1.154 7 residues pruned to eliminate duplicates Z: 6 3.286 1.210 0.697 0.849 0.800 0.000 CB 0.663 Z: 8 7.220 1.300 0.819 0.883 0.857 0.429 O 0.973 6 residues pruned to eliminate duplicates Z: 8 6.150 1.255 0.727 0.857 0.857 0.571 CB 0.922 7 residues pruned to eliminate duplicates Z: 7 4.912 1.191 0.835 0.685 0.833 0.500 CA 0.929 7 residues pruned to eliminate duplicates Z: 6 4.937 1.382 0.477 0.562 1.000 0.200 CB 1.019 5 residues pruned to eliminate duplicates Z: 13 16.488 1.768 0.734 0.861 0.917 0.833 CB 1.244 13 residues pruned to eliminate duplicates Z: 17 16.734 1.799 0.458 0.694 1.000 0.812 CB 1.336 18 residues pruned to eliminate duplicates Z: 13 18.896 1.805 0.578 0.889 1.000 0.917 CB 1.378 13 residues pruned to eliminate duplicates Z: 21 13.720 1.744 0.483 0.691 0.850 0.700 CB 1.172 20 residues pruned to eliminate duplicates Z: 14 19.163 1.747 0.631 0.879 1.000 0.769 CB 1.353 19 residues pruned to eliminate duplicates Z: 13 19.129 1.817 0.586 0.879 1.000 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 28 10.339 1.721 0.581 0.402 0.778 0.370 CB 1.042 36 residues pruned to eliminate duplicates Z: 12 15.998 1.803 0.433 0.851 0.909 0.818 CB 1.520 12 residues pruned to eliminate duplicates Z: 16 11.729 1.637 0.604 0.746 0.867 0.600 CB 1.067 15 residues pruned to eliminate duplicates Z: 16 13.498 1.604 0.704 0.766 0.800 0.600 N 1.260 16 residues pruned to eliminate duplicates Z: 16 15.371 1.812 0.688 0.693 0.867 0.733 CB 1.255 16 residues pruned to eliminate duplicates Z: 18 17.036 1.748 0.718 0.704 0.941 0.647 CB 1.214 18 residues pruned to eliminate duplicates Z: 18 16.141 1.798 0.560 0.744 0.941 0.706 CB 1.193 18 residues pruned to eliminate duplicates Z: 22 13.652 1.748 0.505 0.631 0.857 0.619 CB 1.169 22 residues pruned to eliminate duplicates Z: 21 17.436 1.799 0.739 0.656 0.900 0.750 CB 1.198 22 residues pruned to eliminate duplicates Z: 13 16.370 1.916 1.031 0.743 0.833 0.833 CB 1.172 13 residues pruned to eliminate duplicates Z: 8 8.275 1.849 0.865 0.454 0.714 0.286 CB 1.331 8 residues pruned to eliminate duplicates Z: 29 19.912 1.719 0.851 0.606 0.857 0.679 CB 1.248 29 residues pruned to eliminate duplicates Z: 10 8.224 1.715 0.925 0.462 0.778 0.444 CB 1.110 10 residues pruned to eliminate duplicates Z: 11 9.570 1.713 0.703 0.512 0.900 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 14 25.249 1.901 1.183 0.792 1.000 0.769 CB 1.306 22 residues pruned to eliminate duplicates Z: 13 22.416 1.876 0.762 0.847 1.000 0.750 CB 1.454 13 residues pruned to eliminate duplicates Z: 21 20.945 2.002 0.735 0.622 0.950 0.650 CB 1.265 13 residues pruned to eliminate duplicates Z: 12 18.968 1.933 0.802 0.818 0.909 0.727 CB 1.370 12 residues pruned to eliminate duplicates Z: 22 20.599 1.942 0.750 0.644 0.952 0.571 CB 1.213 23 residues pruned to eliminate duplicates Z: 13 22.284 1.911 0.734 0.813 1.000 0.667 CB 1.478 13 residues pruned to eliminate duplicates Z: 13 23.041 2.003 0.782 0.798 1.000 0.750 CB 1.436 13 residues pruned to eliminate duplicates Z: 14 22.011 1.958 1.098 0.799 0.923 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 22 17.807 1.939 0.791 0.629 0.952 0.714 CB 1.040 22 residues pruned to eliminate duplicates Z: 22 16.536 1.941 0.710 0.578 0.857 0.524 CB 1.177 22 residues pruned to eliminate duplicates Z: 24 18.682 1.919 0.878 0.565 0.826 0.522 CB 1.229 24 residues pruned to eliminate duplicates Z: 22 19.001 1.953 0.924 0.617 0.857 0.619 CB 1.153 22 residues pruned to eliminate duplicates Z: 7 14.919 2.101 0.896 0.514 1.000 0.833 CB 1.508 7 residues pruned to eliminate duplicates Z: 6 3.016 1.353 0.779 0.267 0.800 0.800 O 0.913 6 residues pruned to eliminate duplicates Z: 19 13.686 1.818 0.737 0.508 0.833 0.500 CB 1.216 19 residues pruned to eliminate duplicates Z: 9 4.213 1.422 0.721 0.297 0.750 0.375 O 1.018 3 residues pruned to eliminate duplicates Z: 12 12.431 1.723 0.322 0.891 1.000 0.818 CB 1.183 12 residues pruned to eliminate duplicates Z: 13 7.196 1.539 0.422 0.622 0.917 0.750 CB 0.923 13 residues pruned to eliminate duplicates Z: 11 13.647 1.787 0.452 0.896 1.000 0.900 CB 1.191 11 residues pruned to eliminate duplicates Z: 11 6.540 1.668 0.241 0.686 0.800 0.800 CB 1.053 11 residues pruned to eliminate duplicates Z: 8 10.210 1.818 0.517 0.832 0.857 0.714 CB 1.226 8 residues pruned to eliminate duplicates Z: 11 12.215 1.786 0.392 0.868 1.000 0.900 CB 1.136 11 residues pruned to eliminate duplicates Z: 13 11.530 1.701 0.261 0.801 1.000 0.917 CB 1.192 13 residues pruned to eliminate duplicates Z: 15 10.079 1.620 0.330 0.737 0.929 0.786 CB 1.088 15 residues pruned to eliminate duplicates Z: 11 13.692 1.782 0.335 0.905 1.000 0.900 CB 1.296 11 residues pruned to eliminate duplicates Z: 11 13.778 1.748 0.599 0.837 1.000 0.700 CB 1.167 11 residues pruned to eliminate duplicates Z: 12 17.924 1.744 0.735 0.912 1.000 0.818 CB 1.265 12 residues pruned to eliminate duplicates Z: 6 10.269 1.674 0.603 0.877 1.000 1.000 CB 1.243 13 residues pruned to eliminate duplicates Z: 8 8.758 1.533 0.612 0.791 0.857 0.714 CB 1.210 8 residues pruned to eliminate duplicates Z: 8 7.909 1.531 0.448 0.821 0.857 0.571 CB 1.190 8 residues pruned to eliminate duplicates Z: 8 7.397 1.526 0.404 0.818 0.857 0.429 CB 1.155 8 residues pruned to eliminate duplicates Z: 8 8.670 1.532 0.525 0.870 1.000 1.000 CB 1.024 7 residues pruned to eliminate duplicates Z: 7 8.784 1.504 0.723 0.853 1.000 0.500 CB 1.022 7 residues pruned to eliminate duplicates Z: 8 9.267 1.566 0.418 0.829 1.000 0.714 CB 1.187 8 residues pruned to eliminate duplicates Z: 9 5.466 1.516 0.461 0.460 0.875 0.500 CB 1.039 9 residues pruned to eliminate duplicates Z: 9 9.538 1.651 0.780 0.774 0.875 0.750 CB 1.030 9 residues pruned to eliminate duplicates Z: 14 7.949 1.526 0.578 0.595 0.846 0.538 CB 0.989 11 residues pruned to eliminate duplicates Z: 11 9.786 1.691 0.670 0.828 0.800 0.700 CB 1.031 11 residues pruned to eliminate duplicates Z: 14 7.511 1.473 0.627 0.636 0.846 0.692 CB 0.904 14 residues pruned to eliminate duplicates Z: 12 9.777 1.490 0.726 0.739 0.909 0.727 CB 1.018 13 residues pruned to eliminate duplicates Z: 10 9.178 1.574 0.716 0.876 0.889 0.667 CB 0.926 10 residues pruned to eliminate duplicates Z: 10 8.412 1.534 0.807 0.875 0.889 0.667 CB 0.828 10 residues pruned to eliminate duplicates Z: 13 12.466 1.540 0.861 0.900 1.000 0.750 CB 0.897 9 residues pruned to eliminate duplicates Z: 14 11.823 1.557 0.812 0.908 0.923 0.692 CB 0.894 14 residues pruned to eliminate duplicates Z: 14 8.759 1.529 0.909 0.813 0.769 0.462 CB 0.824 14 residues pruned to eliminate duplicates Z: 12 6.851 1.492 0.785 0.598 0.909 0.545 CB 0.777 12 residues pruned to eliminate duplicates Z: 13 10.695 1.856 0.666 0.457 0.750 0.583 CB 1.392 14 residues pruned to eliminate duplicates Z: 6 4.443 1.637 0.412 0.335 1.000 0.400 CB 1.028 6 residues pruned to eliminate duplicates Z: 20 19.379 1.971 0.647 0.567 0.947 0.579 CB 1.354 22 residues pruned to eliminate duplicates Z: 11 11.665 1.805 0.262 0.667 1.000 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 21 21.006 1.943 0.722 0.561 1.000 0.650 CB 1.324 21 residues pruned to eliminate duplicates Z: 10 17.357 1.791 0.790 0.883 1.000 0.667 CA 1.305 10 residues pruned to eliminate duplicates Z: 20 21.409 1.976 0.724 0.635 0.947 0.737 CB 1.341 21 residues pruned to eliminate duplicates Z: 10 22.975 1.935 0.964 0.853 1.000 0.778 CA 1.489 10 residues pruned to eliminate duplicates Z: 23 17.311 1.870 0.698 0.570 1.000 0.591 CB 1.086 23 residues pruned to eliminate duplicates Z: 22 16.469 1.965 0.504 0.536 0.905 0.571 CB 1.297 22 residues pruned to eliminate duplicates Z: 19 12.672 1.905 0.525 0.466 0.833 0.500 CB 1.277 19 residues pruned to eliminate duplicates Z: 20 16.782 1.959 0.613 0.552 0.895 0.526 CB 1.295 20 residues pruned to eliminate duplicates Z: 26 18.749 1.863 0.718 0.553 0.920 0.600 CB 1.210 20 residues pruned to eliminate duplicates Z: 7 5.043 1.348 0.253 0.578 1.000 0.667 CA 1.131 Z: 7 4.901 1.203 0.625 0.513 1.000 0.167 N 1.010 13 residues pruned to eliminate duplicates Z: 15 12.084 1.816 0.413 0.693 0.929 0.643 CB 1.136 15 residues pruned to eliminate duplicates Z: 19 13.037 1.778 0.467 0.550 0.889 0.500 CB 1.262 31 residues pruned to eliminate duplicates Z: 19 10.862 1.706 0.725 0.402 0.833 0.556 CB 1.158 Z: 11 20.501 1.806 1.010 0.864 1.000 1.000 CB 1.310 14 residues pruned to eliminate duplicates Z: 11 19.172 1.887 0.615 0.904 1.000 0.900 CB 1.417 11 residues pruned to eliminate duplicates Z: 42 18.651 1.840 0.484 0.534 0.878 0.561 CB 1.175 41 residues pruned to eliminate duplicates Z: 11 13.689 1.851 0.787 0.857 0.900 0.700 CB 1.072 11 residues pruned to eliminate duplicates Z: 9 5.150 1.650 0.526 0.593 0.625 0.500 N 1.059 9 residues pruned to eliminate duplicates Z: 18 13.293 1.723 0.522 0.672 0.941 0.647 CB 1.115 18 residues pruned to eliminate duplicates Z: 18 14.143 1.863 0.624 0.582 0.824 0.588 CB 1.272 16 residues pruned to eliminate duplicates Z: 12 19.176 1.845 0.805 0.891 1.000 0.636 CB 1.249 12 residues pruned to eliminate duplicates Z: 33 14.328 1.802 0.498 0.469 0.875 0.500 CB 1.107 33 residues pruned to eliminate duplicates Z: 15 14.262 1.766 0.584 0.728 0.929 0.643 CB 1.195 15 residues pruned to eliminate duplicates Z: 11 6.558 1.724 0.453 0.485 0.800 0.400 CB 1.051 11 residues pruned to eliminate duplicates Z: 9 3.851 1.557 0.160 0.352 0.875 0.750 CB 1.011 9 residues pruned to eliminate duplicates Z: 8 5.307 1.619 0.243 0.409 1.000 0.857 CB 1.096 9 residues pruned to eliminate duplicates Z: 9 9.445 1.613 0.109 0.870 1.000 0.875 O 1.363 9 residues pruned to eliminate duplicates Z: 7 3.447 1.576 0.053 0.620 0.667 0.667 N 1.136 7 residues pruned to eliminate duplicates Z: 6 5.073 1.682 0.086 0.836 0.800 0.800 N 1.162 6 residues pruned to eliminate duplicates Z: 14 5.870 1.505 0.161 0.568 0.692 0.385 CB 1.260 14 residues pruned to eliminate duplicates Z: 10 6.392 1.630 0.433 0.556 0.667 0.333 N 1.296 20 residues pruned to eliminate duplicates Z: 12 7.285 1.655 0.231 0.544 0.727 0.455 CB 1.421 12 residues pruned to eliminate duplicates Z: 10 6.393 1.573 0.231 0.606 0.778 0.444 N 1.280 10 residues pruned to eliminate duplicates Z: 36 13.763 1.674 0.409 0.473 0.829 0.514 CB 1.223 36 residues pruned to eliminate duplicates Z: 19 10.989 1.546 0.228 0.602 0.944 0.667 CB 1.311 19 residues pruned to eliminate duplicates Z: 35 17.164 1.743 0.515 0.538 0.882 0.618 CB 1.216 33 residues pruned to eliminate duplicates Z: 13 11.396 1.656 0.292 0.659 0.917 0.667 CB 1.448 13 residues pruned to eliminate duplicates Z: 22 11.198 1.704 0.496 0.518 0.810 0.571 CB 1.164 22 residues pruned to eliminate duplicates Z: 7 3.389 1.487 0.408 0.262 0.833 0.167 CB 1.041 7 residues pruned to eliminate duplicates Z: 19 9.287 1.741 0.462 0.602 0.722 0.500 CB 1.080 19 residues pruned to eliminate duplicates Z: 18 8.677 1.553 0.425 0.547 0.765 0.588 CB 1.188 16 residues pruned to eliminate duplicates Z: 16 14.482 1.703 0.496 0.748 0.933 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 19 12.023 1.791 0.385 0.607 0.833 0.500 CB 1.238 19 residues pruned to eliminate duplicates Z: 18 14.992 1.788 0.478 0.694 0.941 0.647 CB 1.224 18 residues pruned to eliminate duplicates Z: 17 15.118 1.808 0.699 0.649 0.875 0.500 CB 1.223 17 residues pruned to eliminate duplicates Z: 16 14.187 1.817 0.444 0.700 0.933 0.733 CB 1.246 16 residues pruned to eliminate duplicates Z: 23 15.823 1.769 0.649 0.504 0.909 0.545 CB 1.268 23 residues pruned to eliminate duplicates Z: 18 13.059 1.776 0.523 0.608 0.824 0.588 CB 1.284 18 residues pruned to eliminate duplicates Z: 24 13.664 1.756 0.467 0.509 0.957 0.565 CB 1.146 24 residues pruned to eliminate duplicates Z: 14 12.826 1.640 0.403 0.842 0.923 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 21 11.973 1.684 0.404 0.555 0.850 0.650 CB 1.263 21 residues pruned to eliminate duplicates Z: 32 14.124 1.729 0.523 0.469 0.903 0.548 CB 1.100 31 residues pruned to eliminate duplicates Z: 13 16.408 1.733 0.463 0.929 1.000 0.833 CB 1.307 13 residues pruned to eliminate duplicates Z: 22 16.318 1.872 0.581 0.563 0.905 0.619 CB 1.250 22 residues pruned to eliminate duplicates Z: 27 14.680 1.777 0.531 0.512 0.846 0.500 CB 1.236 28 residues pruned to eliminate duplicates Z: 10 9.322 1.529 0.644 0.684 1.000 0.778 CB 1.044 8 residues pruned to eliminate duplicates Z: 8 10.389 1.689 0.782 0.853 1.000 0.571 CB 0.964 8 residues pruned to eliminate duplicates Z: 6 10.699 1.776 0.801 0.661 1.000 0.400 CB 1.288 6 residues pruned to eliminate duplicates Z: 12 5.394 1.649 0.613 0.563 0.909 0.455 CB 0.632 12 residues pruned to eliminate duplicates Z: 16 8.494 1.651 0.433 0.373 0.867 0.400 CB 1.226 15 residues pruned to eliminate duplicates Z: 10 7.553 1.688 0.558 0.865 1.000 0.444 CB 0.701 10 residues pruned to eliminate duplicates Z: 10 3.896 1.537 0.727 0.547 0.889 0.333 CB 0.526 10 residues pruned to eliminate duplicates Z: 18 12.728 1.749 0.702 0.623 0.824 0.529 CB 1.121 18 residues pruned to eliminate duplicates Z: 14 12.996 1.733 0.697 0.772 0.846 0.615 CB 1.139 14 residues pruned to eliminate duplicates Z: 18 13.256 1.770 0.641 0.613 0.824 0.412 CB 1.209 18 residues pruned to eliminate duplicates Z: 16 12.024 1.697 0.719 0.689 0.800 0.400 CB 1.119 16 residues pruned to eliminate duplicates Z: 16 11.835 1.716 0.750 0.698 0.867 0.333 CB 0.980 16 residues pruned to eliminate duplicates Z: 18 13.937 1.723 0.878 0.643 0.765 0.471 CB 1.195 18 residues pruned to eliminate duplicates Z: 16 15.718 1.733 0.744 0.837 0.933 0.533 CB 1.076 16 residues pruned to eliminate duplicates Z: 16 16.643 1.714 0.902 0.816 1.000 0.600 CB 1.001 15 residues pruned to eliminate duplicates Z: 15 15.555 1.702 0.923 0.839 0.929 0.357 CB 1.021 16 residues pruned to eliminate duplicates Z: 18 14.381 1.654 0.748 0.734 1.000 0.471 CB 0.978 15 residues pruned to eliminate duplicates Z: 7 3.350 1.342 0.384 0.453 0.667 0.500 N 1.160 7 residues pruned to eliminate duplicates Z: 33 15.365 1.704 0.536 0.535 0.875 0.469 CB 1.146 25 residues pruned to eliminate duplicates Z: 6 4.880 1.407 0.454 0.812 0.800 0.200 CB 1.017 5 residues pruned to eliminate duplicates Z: 7 3.653 1.323 0.352 0.725 0.667 0.667 O 1.020 5 residues pruned to eliminate duplicates Z: 7 3.595 1.307 0.728 0.735 0.833 0.667 CB 0.631 7 residues pruned to eliminate duplicates Z: 6 4.322 1.242 0.711 0.873 1.000 1.000 CB 0.662 6 residues pruned to eliminate duplicates Z: 8 5.032 1.260 0.516 0.784 0.857 0.857 CB 0.906 7 residues pruned to eliminate duplicates Z: 6 5.651 1.247 0.665 0.878 1.000 1.000 CB 0.884 5 residues pruned to eliminate duplicates Z: 6 10.633 1.760 0.729 0.818 1.000 1.000 CB 1.186 7 residues pruned to eliminate duplicates Z: 6 11.198 1.662 0.987 0.850 1.000 1.000 N 1.122 6 residues pruned to eliminate duplicates Z: 6 13.560 1.741 1.204 0.841 1.000 0.600 CB 1.179 6 residues pruned to eliminate duplicates Z: 6 8.660 1.763 0.960 0.845 0.800 0.800 CB 1.041 6 residues pruned to eliminate duplicates Z: 11 8.202 1.781 0.606 0.480 0.800 0.500 CB 1.157 11 residues pruned to eliminate duplicates Z: 17 11.103 1.792 0.416 0.662 1.000 0.625 CB 0.941 17 residues pruned to eliminate duplicates Z: 15 12.016 1.760 0.739 0.623 0.929 0.643 CB 1.006 14 residues pruned to eliminate duplicates Z: 6 6.197 1.380 0.551 0.664 1.000 0.600 CB 1.113 6 residues pruned to eliminate duplicates Z: 10 11.133 1.917 0.481 0.695 0.889 0.556 CB 1.230 10 residues pruned to eliminate duplicates Z: 16 13.980 1.852 0.740 0.605 0.933 0.533 CB 1.086 16 residues pruned to eliminate duplicates Z: 10 6.835 1.821 0.419 0.495 0.778 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 15 13.972 1.844 0.828 0.611 0.929 0.643 CB 1.075 15 residues pruned to eliminate duplicates Z: 12 2.831 1.531 0.555 0.146 0.727 0.273 CB 0.763 13 residues pruned to eliminate duplicates Z: 7 4.155 1.453 0.705 0.435 0.667 0.333 N 1.099 10 residues pruned to eliminate duplicates Z: 12 7.439 1.511 0.383 0.584 0.818 0.364 N 1.210 11 residues pruned to eliminate duplicates Z: 13 9.338 1.737 0.281 0.765 0.917 0.750 CB 1.045 13 residues pruned to eliminate duplicates Z: 14 8.398 1.723 0.367 0.719 0.769 0.462 CB 1.054 14 residues pruned to eliminate duplicates Z: 13 9.861 1.789 0.364 0.817 0.833 0.667 CB 1.063 13 residues pruned to eliminate duplicates Z: 10 10.288 1.784 0.427 0.781 0.889 0.667 CB 1.183 10 residues pruned to eliminate duplicates Z: 21 10.436 1.680 0.208 0.582 0.900 0.500 CB 1.181 21 residues pruned to eliminate duplicates Z: 20 10.943 1.670 0.191 0.642 1.000 0.474 CB 1.105 20 residues pruned to eliminate duplicates Z: 13 8.795 1.699 0.468 0.714 0.833 0.500 CB 1.006 13 residues pruned to eliminate duplicates Z: 13 10.161 1.767 0.350 0.819 0.917 0.583 CB 1.018 13 residues pruned to eliminate duplicates Z: 14 8.810 1.679 0.537 0.780 0.846 0.462 CB 0.874 14 residues pruned to eliminate duplicates Z: 6 2.464 1.638 0.511 0.452 0.400 0.400 CB 1.169 6 residues pruned to eliminate duplicates Z: 9 7.819 1.554 0.724 0.555 0.875 0.750 CB 1.118 5 residues pruned to eliminate duplicates Z: 18 11.710 1.632 0.504 0.859 0.941 0.647 CB 0.904 18 residues pruned to eliminate duplicates Z: 6 7.362 1.586 0.880 0.809 0.800 0.600 CB 1.055 6 residues pruned to eliminate duplicates Z: 8 3.179 1.267 1.067 0.528 0.714 0.429 CB 0.625 8 residues pruned to eliminate duplicates Z: 14 6.727 1.458 0.516 0.638 0.769 0.462 CB 0.964 9 residues pruned to eliminate duplicates Z: 18 11.128 1.625 0.579 0.841 0.824 0.529 CB 0.953 18 residues pruned to eliminate duplicates Z: 6 2.120 1.505 0.083 0.450 0.800 0.200 CB 0.765 6 residues pruned to eliminate duplicates 9 1.523 1.355 0.192 0.376 0.500 0.250 N 0.761 ? Z: 7 5.852 1.348 0.452 0.715 1.000 0.833 N 1.005 7 residues pruned to eliminate duplicates Z: 13 8.003 1.572 0.267 0.690 1.000 0.750 CB 0.975 13 residues pruned to eliminate duplicates Z: 16 9.672 1.519 0.306 0.689 0.933 0.800 CB 1.134 16 residues pruned to eliminate duplicates Z: 15 7.186 1.542 0.450 0.465 0.714 0.429 CB 1.247 15 residues pruned to eliminate duplicates Z: 12 7.060 1.553 0.200 0.615 0.909 0.545 CB 1.126 12 residues pruned to eliminate duplicates Z: 16 8.262 1.615 0.237 0.539 0.867 0.600 CB 1.187 16 residues pruned to eliminate duplicates Z: 14 9.578 1.544 0.201 0.785 1.000 0.615 CB 1.114 14 residues pruned to eliminate duplicates Z: 15 7.169 1.518 0.313 0.646 0.857 0.643 CB 0.978 15 residues pruned to eliminate duplicates Z: 16 11.559 1.561 0.500 0.837 1.000 0.733 CB 0.954 18 residues pruned to eliminate duplicates Z: 18 10.002 1.552 0.376 0.836 0.824 0.706 CB 1.033 18 residues pruned to eliminate duplicates Z: 18 12.039 1.514 0.696 0.748 0.941 0.765 CB 0.968 18 residues pruned to eliminate duplicates Z: 16 13.929 1.607 0.470 0.854 1.000 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 18 10.735 1.682 0.287 0.812 0.941 0.824 CB 0.975 18 residues pruned to eliminate duplicates Z: 25 15.286 1.631 0.449 0.857 0.958 0.792 CB 1.016 26 residues pruned to eliminate duplicates Z: 25 13.757 1.577 0.539 0.910 1.000 0.875 CB 0.820 25 residues pruned to eliminate duplicates Z: 21 13.537 1.643 0.467 0.892 0.950 0.900 CB 0.950 21 residues pruned to eliminate duplicates Z: 27 16.364 1.613 0.571 0.886 0.962 0.923 CB 0.950 26 residues pruned to eliminate duplicates Z: 12 10.789 1.660 0.481 0.877 1.000 1.000 CB 0.962 12 residues pruned to eliminate duplicates Z: 21 13.805 1.653 0.545 0.854 0.950 0.700 CB 0.940 21 residues pruned to eliminate duplicates Z: 13 11.273 1.644 0.596 0.861 1.000 0.667 CB 0.911 13 residues pruned to eliminate duplicates Z: 27 15.590 1.571 0.558 0.895 0.962 0.923 CB 0.931 25 residues pruned to eliminate duplicates Z: 12 10.366 1.626 0.527 0.866 1.000 0.727 CB 0.921 12 residues pruned to eliminate duplicates 6 1.867 1.553 0.881 0.100 0.600 0.200 CB 0.794 ? Z: 7 4.309 1.542 0.722 0.439 0.667 0.500 CB 1.058 Z: 12 13.848 1.756 0.426 0.724 1.000 0.727 CB 1.362 11 residues pruned to eliminate duplicates Z: 11 14.272 1.800 0.492 0.824 1.000 0.900 CB 1.269 11 residues pruned to eliminate duplicates Z: 12 8.609 1.717 0.318 0.657 0.909 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 14 11.116 1.775 0.214 0.698 1.000 0.615 CB 1.195 14 residues pruned to eliminate duplicates Z: 11 11.574 1.840 0.383 0.780 1.000 0.700 CB 1.124 11 residues pruned to eliminate duplicates Z: 13 9.284 1.721 0.546 0.690 0.833 0.583 CB 1.016 13 residues pruned to eliminate duplicates Z: 11 10.943 1.833 0.353 0.809 0.900 0.900 CB 1.185 11 residues pruned to eliminate duplicates Z: 14 8.998 1.663 0.453 0.638 0.846 0.615 CB 1.072 14 residues pruned to eliminate duplicates Z: 13 11.103 1.729 0.475 0.684 1.000 0.667 CB 1.061 13 residues pruned to eliminate duplicates Z: 12 11.063 1.755 0.542 0.665 0.909 0.818 CB 1.164 12 residues pruned to eliminate duplicates Z: 11 11.872 1.755 0.630 0.856 1.000 0.900 CB 0.968 11 residues pruned to eliminate duplicates Z: 9 3.761 1.447 0.259 0.706 0.875 0.625 CB 0.691 9 residues pruned to eliminate duplicates Z: 6 4.865 1.678 -0.002 0.609 1.000 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 10 5.510 1.608 0.168 0.765 1.000 0.778 CB 0.773 10 residues pruned to eliminate duplicates Z: 30 13.357 1.570 0.400 0.695 0.862 0.552 CB 1.095 30 residues pruned to eliminate duplicates Z: 15 5.747 1.460 0.475 0.535 0.857 0.714 CB 0.804 15 residues pruned to eliminate duplicates Z: 10 6.895 1.561 0.331 0.742 1.000 0.556 CB 0.891 10 residues pruned to eliminate duplicates Z: 10 7.175 1.614 0.341 0.749 1.000 0.667 CB 0.885 10 residues pruned to eliminate duplicates Z: 10 4.108 1.484 0.596 0.472 0.889 0.333 CB 0.669 10 residues pruned to eliminate duplicates Z: 17 6.758 1.503 0.156 0.580 0.875 0.375 N 1.028 17 residues pruned to eliminate duplicates Z: 26 15.598 1.549 0.336 0.867 1.000 0.760 CB 1.102 26 residues pruned to eliminate duplicates Z: 7 4.053 1.467 0.553 0.494 0.833 0.500 CB 0.877 7 residues pruned to eliminate duplicates Z: 10 10.042 1.619 0.464 0.715 0.889 0.667 CB 1.309 10 residues pruned to eliminate duplicates Z: 10 3.623 1.412 0.595 0.364 0.778 0.333 N 0.798 10 residues pruned to eliminate duplicates Z: 17 9.130 1.620 0.392 0.569 0.750 0.438 N 1.262 17 residues pruned to eliminate duplicates Z: 17 13.229 1.568 0.458 0.767 0.875 0.688 N 1.305 17 residues pruned to eliminate duplicates Z: 10 9.289 1.632 0.341 0.715 1.000 0.556 N 1.164 10 residues pruned to eliminate duplicates Z: 19 12.239 1.655 0.431 0.655 0.889 0.500 CB 1.187 19 residues pruned to eliminate duplicates Z: 23 7.801 1.553 0.331 0.426 0.818 0.455 CB 1.062 23 residues pruned to eliminate duplicates Z: 11 11.226 1.760 0.196 0.789 1.000 0.700 CB 1.308 11 residues pruned to eliminate duplicates Z: 14 5.988 1.620 0.246 0.613 0.846 0.538 CB 0.874 14 residues pruned to eliminate duplicates Z: 13 7.690 1.634 0.254 0.587 0.833 0.750 CB 1.196 13 residues pruned to eliminate duplicates Z: 18 10.532 1.631 0.371 0.671 0.765 0.647 CB 1.276 18 residues pruned to eliminate duplicates Z: 13 9.183 1.637 0.486 0.582 0.833 0.583 N 1.209 13 residues pruned to eliminate duplicates Z: 17 13.010 1.582 0.459 0.873 1.000 0.875 CB 1.026 17 residues pruned to eliminate duplicates Z: 21 11.421 1.582 0.754 0.725 0.850 0.550 CB 0.884 21 residues pruned to eliminate duplicates Z: 19 8.268 1.523 0.449 0.701 0.889 0.611 CB 0.827 19 residues pruned to eliminate duplicates Z: 22 8.696 1.481 0.539 0.581 0.810 0.333 CB 0.952 22 residues pruned to eliminate duplicates Z: 29 10.182 1.579 0.359 0.486 0.821 0.357 CB 1.108 29 residues pruned to eliminate duplicates Z: 18 6.919 1.560 0.323 0.528 0.765 0.471 CB 1.035 18 residues pruned to eliminate duplicates Z: 26 15.569 1.571 0.525 0.845 0.920 0.600 CB 1.050 26 residues pruned to eliminate duplicates Z: 8 11.246 1.718 0.671 0.601 1.000 0.286 N 1.345 8 residues pruned to eliminate duplicates Z: 19 15.301 1.727 0.658 0.535 0.889 0.500 N 1.370 37 residues pruned to eliminate duplicates Z: 17 7.254 1.656 0.611 0.335 0.750 0.375 CB 1.085 17 residues pruned to eliminate duplicates Z: 17 10.370 1.715 0.442 0.491 0.812 0.438 N 1.302 Z: 10 15.745 1.665 1.054 0.734 0.889 0.444 CA 1.400 10 residues pruned to eliminate duplicates Z: 10 9.510 1.540 0.867 0.718 0.778 0.444 N 1.163 10 residues pruned to eliminate duplicates Z: 18 9.116 1.671 0.466 0.367 0.824 0.412 N 1.264 18 residues pruned to eliminate duplicates Z: 20 10.370 1.597 0.502 0.433 0.895 0.526 N 1.188 20 residues pruned to eliminate duplicates Z: 11 16.200 1.767 0.709 0.780 0.900 0.700 N 1.472 11 residues pruned to eliminate duplicates Z: 14 19.298 1.876 0.596 0.753 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 27 15.879 1.754 0.606 0.538 0.923 0.654 CB 1.154 27 residues pruned to eliminate duplicates Z: 20 12.678 1.676 0.714 0.577 0.842 0.421 CB 1.117 20 residues pruned to eliminate duplicates Z: 16 15.452 1.886 0.726 0.626 0.867 0.467 CB 1.256 16 residues pruned to eliminate duplicates Z: 19 13.603 1.800 0.646 0.561 1.000 0.778 CB 1.020 19 residues pruned to eliminate duplicates Z: 12 16.449 1.864 0.700 0.827 0.909 0.545 CB 1.297 12 residues pruned to eliminate duplicates Z: 15 18.383 1.872 0.762 0.726 0.929 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 16 15.436 1.846 0.731 0.679 0.933 0.533 CB 1.134 16 residues pruned to eliminate duplicates Z: 12 16.030 1.881 0.622 0.862 1.000 0.545 CB 1.163 12 residues pruned to eliminate duplicates Z: 25 16.077 1.823 0.746 0.593 0.792 0.500 CB 1.191 25 residues pruned to eliminate duplicates Z: 24 19.135 1.825 0.729 0.602 0.913 0.565 CB 1.256 24 residues pruned to eliminate duplicates Z: 23 17.768 1.847 0.746 0.612 0.864 0.636 CB 1.223 23 residues pruned to eliminate duplicates Z: 25 15.556 1.818 0.892 0.583 0.792 0.583 CB 1.076 25 residues pruned to eliminate duplicates Z: 25 19.252 1.854 0.794 0.556 0.917 0.583 CB 1.221 25 residues pruned to eliminate duplicates Z: 21 16.573 1.846 0.820 0.708 0.850 0.550 CB 1.074 21 residues pruned to eliminate duplicates Z: 13 8.411 1.644 0.850 0.349 0.833 0.500 N 1.129 13 residues pruned to eliminate duplicates Z: 12 9.747 1.751 0.625 0.461 0.909 0.727 CB 1.183 12 residues pruned to eliminate duplicates Z: 24 18.598 1.865 0.589 0.589 0.913 0.565 CB 1.316 26 residues pruned to eliminate duplicates Z: 6 3.286 1.218 0.471 0.439 1.000 0.600 N 0.873 Z: 14 20.050 1.929 0.520 0.846 1.000 0.846 CB 1.409 21 residues pruned to eliminate duplicates Z: 15 20.242 1.822 0.603 0.763 1.000 0.857 CB 1.466 15 residues pruned to eliminate duplicates Z: 27 18.183 1.907 0.650 0.516 0.885 0.577 CB 1.261 27 residues pruned to eliminate duplicates Z: 18 11.202 1.829 0.416 0.581 0.824 0.529 CB 1.178 18 residues pruned to eliminate duplicates Z: 15 15.399 1.846 0.456 0.729 0.929 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 18 13.091 1.844 0.471 0.576 0.882 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 33 14.646 1.892 0.350 0.386 0.906 0.625 CB 1.263 33 residues pruned to eliminate duplicates Z: 31 20.860 1.881 0.605 0.540 0.933 0.600 CB 1.300 36 residues pruned to eliminate duplicates Z: 12 23.062 1.976 0.885 0.882 0.909 0.818 CB 1.486 12 residues pruned to eliminate duplicates Z: 36 15.830 1.864 0.495 0.416 0.886 0.629 CB 1.183 36 residues pruned to eliminate duplicates Z: 28 19.106 1.906 0.553 0.544 0.963 0.630 CB 1.236 28 residues pruned to eliminate duplicates Z: 30 18.447 1.898 0.545 0.484 0.931 0.655 CB 1.276 30 residues pruned to eliminate duplicates Z: 17 16.564 1.957 0.595 0.638 0.938 0.688 CB 1.244 17 residues pruned to eliminate duplicates Z: 16 18.028 1.956 0.660 0.669 0.933 0.667 CB 1.314 16 residues pruned to eliminate duplicates Z: 20 14.721 1.952 0.634 0.532 0.842 0.579 CB 1.219 20 residues pruned to eliminate duplicates Z: 28 16.631 1.940 0.528 0.490 0.852 0.593 CB 1.281 28 residues pruned to eliminate duplicates Z: 20 12.511 1.943 0.447 0.591 0.789 0.579 CB 1.185 20 residues pruned to eliminate duplicates Z: 24 16.898 1.925 0.625 0.576 0.870 0.522 CB 1.205 24 residues pruned to eliminate duplicates Z: 15 8.549 1.854 0.318 0.389 0.929 0.571 CB 1.132 15 residues pruned to eliminate duplicates Z: 25 11.334 1.847 0.547 0.425 0.833 0.458 CB 1.050 25 residues pruned to eliminate duplicates Z: 20 7.184 1.835 0.302 0.264 0.842 0.474 CB 1.072 20 residues pruned to eliminate duplicates Z: 21 9.873 1.868 0.412 0.286 0.950 0.600 CB 1.121 16 residues pruned to eliminate duplicates Z: 6 3.684 1.354 0.728 0.456 0.800 0.600 CB 0.920 6 residues pruned to eliminate duplicates Z: 22 9.347 1.756 0.301 0.307 0.857 0.667 CB 1.291 22 residues pruned to eliminate duplicates Z: 33 12.147 1.832 0.507 0.307 0.781 0.562 CB 1.234 33 residues pruned to eliminate duplicates Z: 10 4.249 1.692 0.175 0.073 0.889 0.222 CB 1.397 24 residues pruned to eliminate duplicates Z: 6 2.714 1.461 0.470 0.360 0.800 0.800 N 0.821 6 residues pruned to eliminate duplicates Z: 35 15.084 1.889 0.524 0.422 0.824 0.529 CB 1.184 35 residues pruned to eliminate duplicates Z: 6 2.260 1.723 0.063 0.100 0.800 0.200 CB 1.150 6 residues pruned to eliminate duplicates 8 1.613 1.764 0.202 0.071 0.571 0.286 CB 0.881 ? Z: 22 7.887 1.818 0.456 0.233 0.857 0.429 CB 1.035 22 residues pruned to eliminate duplicates Z: 18 6.614 1.553 0.380 0.332 0.765 0.529 N 1.176 Z: 17 11.131 1.795 0.102 0.772 1.000 0.812 CB 1.106 27 residues pruned to eliminate duplicates Z: 11 10.370 1.823 0.186 0.823 1.000 0.900 CB 1.147 11 residues pruned to eliminate duplicates Z: 13 6.141 1.665 0.059 0.609 0.917 0.750 CB 0.989 13 residues pruned to eliminate duplicates Z: 17 5.790 1.605 0.160 0.478 0.750 0.625 CB 1.060 17 residues pruned to eliminate duplicates Z: 9 12.207 1.910 0.341 0.853 1.000 1.000 CB 1.246 9 residues pruned to eliminate duplicates Z: 12 13.923 1.783 0.287 0.886 1.000 1.000 CB 1.320 12 residues pruned to eliminate duplicates Z: 22 12.369 1.711 0.334 0.624 0.905 0.714 CB 1.163 22 residues pruned to eliminate duplicates Z: 12 16.475 1.846 0.409 0.901 1.000 0.909 CB 1.364 12 residues pruned to eliminate duplicates Z: 25 11.665 1.733 0.441 0.544 0.875 0.625 CB 1.044 25 residues pruned to eliminate duplicates Z: 12 18.173 1.861 0.610 0.903 1.000 0.909 CB 1.304 12 residues pruned to eliminate duplicates Z: 22 12.025 1.770 0.294 0.608 0.905 0.714 CB 1.142 22 residues pruned to eliminate duplicates Z: 21 10.024 1.769 0.209 0.618 0.800 0.700 CB 1.172 21 residues pruned to eliminate duplicates Z: 22 13.078 1.781 0.393 0.585 0.905 0.667 CB 1.172 22 residues pruned to eliminate duplicates Z: 25 15.578 1.773 0.431 0.578 0.875 0.458 CB 1.329 25 residues pruned to eliminate duplicates Z: 16 13.078 1.742 0.501 0.660 0.867 0.600 CB 1.284 16 residues pruned to eliminate duplicates Z: 25 14.353 1.717 0.563 0.533 0.917 0.625 CB 1.153 25 residues pruned to eliminate duplicates Z: 27 13.755 1.769 0.408 0.573 0.808 0.577 CB 1.250 27 residues pruned to eliminate duplicates Z: 11 8.817 1.353 0.451 0.886 1.000 0.800 CB 1.025 10 residues pruned to eliminate duplicates Z: 9 9.259 1.527 0.354 0.885 1.000 1.000 CB 1.143 9 residues pruned to eliminate duplicates Z: 9 8.123 1.542 0.524 0.872 1.000 0.750 CB 0.891 9 residues pruned to eliminate duplicates Z: 8 5.921 1.486 0.541 0.732 0.857 0.429 CB 0.926 8 residues pruned to eliminate duplicates Z: 10 5.344 1.398 0.172 0.523 1.000 0.556 CB 1.063 10 residues pruned to eliminate duplicates Z: 11 6.766 1.492 0.152 0.802 1.000 0.900 CB 0.956 11 residues pruned to eliminate duplicates Z: 7 6.808 1.594 0.204 0.897 1.000 1.000 CB 1.036 7 residues pruned to eliminate duplicates Z: 16 4.912 1.413 0.142 0.578 0.800 0.667 CB 0.912 24 residues pruned to eliminate duplicates Z: 18 11.358 1.669 0.509 0.596 0.824 0.529 CB 1.211 18 residues pruned to eliminate duplicates Z: 14 12.214 1.736 0.560 0.662 0.846 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 18 14.423 1.782 0.497 0.658 0.882 0.588 CB 1.283 18 residues pruned to eliminate duplicates Z: 13 17.323 1.767 0.811 0.612 1.000 0.583 N 1.406 13 residues pruned to eliminate duplicates Z: 13 15.388 1.753 0.781 0.588 0.917 0.750 CA 1.426 13 residues pruned to eliminate duplicates Z: 6 9.911 1.956 0.857 0.635 0.800 0.400 CB 1.345 6 residues pruned to eliminate duplicates Z: 22 15.324 1.723 0.556 0.593 0.952 0.714 CB 1.198 22 residues pruned to eliminate duplicates Z: 22 17.114 1.743 0.663 0.592 0.810 0.619 N 1.457 22 residues pruned to eliminate duplicates Z: 15 10.452 1.782 0.682 0.602 0.857 0.500 CB 0.987 15 residues pruned to eliminate duplicates Z: 14 19.672 1.797 0.821 0.776 0.923 0.769 CB 1.415 14 residues pruned to eliminate duplicates Z: 19 18.593 1.823 0.777 0.675 0.889 0.722 CB 1.294 19 residues pruned to eliminate duplicates Z: 19 6.524 1.706 0.213 0.357 0.778 0.500 CB 1.115 21 residues pruned to eliminate duplicates Z: 6 2.529 1.565 0.508 0.479 0.600 0.400 CB 0.816 Z: 6 8.306 1.735 0.351 0.859 1.000 1.000 N 1.166 6 residues pruned to eliminate duplicates Z: 8 4.901 1.630 0.244 0.603 0.857 0.714 N 0.965 8 residues pruned to eliminate duplicates Z: 7 5.726 1.596 0.362 0.714 0.833 0.667 N 1.063 7 residues pruned to eliminate duplicates Z: 13 9.825 1.565 0.803 0.680 0.833 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 21 11.476 1.494 0.615 0.653 0.800 0.400 CB 1.153 21 residues pruned to eliminate duplicates Z: 7 7.803 1.652 0.833 0.868 0.833 0.500 N 0.923 7 residues pruned to eliminate duplicates Z: 16 14.092 1.574 0.806 0.845 0.933 0.733 CB 1.020 16 residues pruned to eliminate duplicates Z: 9 11.671 1.606 0.640 0.904 1.000 1.000 CB 1.116 9 residues pruned to eliminate duplicates Z: 18 14.066 1.636 0.732 0.817 0.765 0.706 CB 1.196 18 residues pruned to eliminate duplicates Z: 10 10.421 1.573 0.772 0.675 1.000 0.778 CB 1.061 10 residues pruned to eliminate duplicates Z: 16 10.974 1.643 0.639 0.887 0.867 0.800 CB 0.875 16 residues pruned to eliminate duplicates Z: 26 15.363 1.623 0.526 0.801 0.920 0.680 CB 1.036 26 residues pruned to eliminate duplicates Z: 24 17.222 1.659 0.544 0.887 0.913 0.783 CB 1.107 24 residues pruned to eliminate duplicates Z: 12 8.503 1.625 0.326 0.870 0.909 0.818 CB 0.956 12 residues pruned to eliminate duplicates Z: 19 12.286 1.663 0.288 0.686 0.944 0.611 CB 1.206 19 residues pruned to eliminate duplicates Z: 12 10.377 1.724 0.483 0.729 0.818 0.636 CB 1.217 12 residues pruned to eliminate duplicates Z: 10 8.958 1.740 0.343 0.895 0.778 0.667 CB 1.178 10 residues pruned to eliminate duplicates Z: 11 10.563 1.734 0.354 0.802 0.900 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 12 10.497 1.695 0.461 0.761 0.909 0.636 CB 1.116 12 residues pruned to eliminate duplicates Z: 10 11.367 1.629 0.456 0.871 1.000 0.778 CB 1.166 10 residues pruned to eliminate duplicates Z: 33 21.953 1.836 0.707 0.634 0.938 0.625 CB 1.165 33 residues pruned to eliminate duplicates Z: 15 8.603 1.574 0.652 0.767 0.714 0.500 CB 0.977 15 residues pruned to eliminate duplicates Z: 13 12.042 1.648 0.574 0.866 0.917 0.583 N 1.071 13 residues pruned to eliminate duplicates Z: 14 14.733 1.559 0.758 0.915 1.000 0.538 N 1.054 13 residues pruned to eliminate duplicates Z: 6 2.406 1.138 0.863 0.356 1.000 0.400 N 0.593 Z: 6 3.471 1.290 0.601 0.466 0.800 0.600 CB 0.972 Z: 10 6.410 1.439 0.226 0.676 1.000 0.778 CB 1.030 11 residues pruned to eliminate duplicates Z: 9 7.438 1.520 0.036 0.878 1.000 0.875 CB 1.213 9 residues pruned to eliminate duplicates Z: 18 10.599 1.466 0.421 0.601 0.941 0.588 CB 1.190 20 residues pruned to eliminate duplicates Z: 11 12.942 1.527 0.619 0.893 1.000 0.900 CB 1.189 11 residues pruned to eliminate duplicates Z: 14 8.212 1.615 0.332 0.497 0.846 0.462 CB 1.255 21 residues pruned to eliminate duplicates Z: 7 7.552 1.698 0.471 0.635 0.833 0.500 CB 1.305 7 residues pruned to eliminate duplicates Z: 15 11.371 1.630 0.469 0.650 0.929 0.714 CB 1.189 9 residues pruned to eliminate duplicates Z: 9 12.630 1.589 0.619 0.835 1.000 1.000 CB 1.301 9 residues pruned to eliminate duplicates Z: 18 9.113 1.621 0.420 0.485 0.824 0.529 CB 1.183 18 residues pruned to eliminate duplicates Z: 10 3.798 1.507 0.517 0.226 0.667 0.222 CB 1.144 10 residues pruned to eliminate duplicates Z: 16 7.108 1.554 0.346 0.553 0.733 0.467 CB 1.137 16 residues pruned to eliminate duplicates Z: 11 5.648 1.555 0.586 0.449 0.700 0.200 CB 1.091 11 residues pruned to eliminate duplicates Z: 11 4.410 1.602 0.732 0.410 0.500 0.200 CB 1.104 9 residues pruned to eliminate duplicates Z: 12 11.561 1.733 0.640 0.703 0.818 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 16 13.027 1.705 0.462 0.569 0.933 0.533 CA 1.352 20 residues pruned to eliminate duplicates Z: 10 18.780 1.835 0.642 0.846 1.000 0.778 CA 1.543 10 residues pruned to eliminate duplicates Z: 11 15.041 1.725 0.727 0.739 0.900 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 12 14.099 1.767 0.690 0.748 0.909 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 12 14.671 1.720 0.703 0.651 0.909 0.455 CB 1.443 12 residues pruned to eliminate duplicates Z: 10 14.552 1.832 0.524 0.733 1.000 0.667 CB 1.409 10 residues pruned to eliminate duplicates Z: 25 13.770 1.679 0.444 0.613 0.833 0.625 CB 1.250 25 residues pruned to eliminate duplicates Z: 12 16.125 1.671 0.835 0.733 0.909 0.636 N 1.414 12 residues pruned to eliminate duplicates Z: 20 13.067 1.648 0.546 0.533 0.842 0.632 CB 1.352 20 residues pruned to eliminate duplicates Z: 9 2.901 1.384 0.300 0.419 0.750 0.500 CB 0.826 Z: 9 6.681 1.588 0.277 0.850 0.875 0.500 CB 0.986 15 residues pruned to eliminate duplicates Z: 9 6.317 1.613 0.257 0.899 0.875 0.750 CB 0.900 9 residues pruned to eliminate duplicates Z: 13 5.410 1.510 0.284 0.641 0.833 0.750 CB 0.847 10 residues pruned to eliminate duplicates Z: 9 6.697 1.616 0.469 0.892 0.875 0.750 CB 0.819 9 residues pruned to eliminate duplicates Z: 9 5.946 1.460 0.567 0.831 1.000 0.625 CB 0.690 7 residues pruned to eliminate duplicates Z: 8 5.499 1.590 0.620 0.867 0.857 0.571 CB 0.689 8 residues pruned to eliminate duplicates Z: 6 4.125 1.555 0.729 0.857 1.000 0.800 CB 0.506 6 residues pruned to eliminate duplicates Z: 7 5.195 1.549 0.514 0.896 1.000 1.000 CB 0.648 7 residues pruned to eliminate duplicates Z: 9 5.336 1.414 0.671 0.786 1.000 0.500 CB 0.621 9 residues pruned to eliminate duplicates Z: 13 5.652 1.487 0.081 0.436 0.917 0.417 CB 1.184 13 residues pruned to eliminate duplicates Z: 10 8.953 1.648 0.610 0.584 0.889 0.556 CA 1.168 10 residues pruned to eliminate duplicates Z: 8 9.331 1.754 0.541 0.702 1.000 0.857 CB 1.086 8 residues pruned to eliminate duplicates Z: 11 6.930 1.672 0.312 0.718 1.000 0.500 CB 0.821 11 residues pruned to eliminate duplicates Z: 7 5.736 1.711 0.588 0.694 1.000 0.500 CB 0.722 7 residues pruned to eliminate duplicates Z: 26 8.206 1.559 0.414 0.478 0.800 0.480 CB 0.952 38 residues pruned to eliminate duplicates Z: 13 11.895 1.656 0.485 0.783 0.917 0.500 CB 1.188 Z: 11 12.220 1.657 0.797 0.889 1.000 0.500 CB 0.934 13 residues pruned to eliminate duplicates Z: 11 13.565 1.682 0.861 0.908 1.000 0.800 CB 0.974 11 residues pruned to eliminate duplicates Z: 8 4.746 1.459 0.191 0.810 0.857 0.714 CB 0.920 7 residues pruned to eliminate duplicates Z: 9 6.121 1.370 0.344 0.750 1.000 0.750 CB 0.941 8 residues pruned to eliminate duplicates Z: 9 7.496 1.405 0.436 0.866 1.000 0.875 CB 0.962 10 residues pruned to eliminate duplicates Z: 11 6.031 1.340 0.643 0.732 0.900 0.600 CB 0.781 10 residues pruned to eliminate duplicates Z: 8 6.278 1.317 0.508 0.858 1.000 0.714 CB 0.880 7 residues pruned to eliminate duplicates Z: 8 6.560 1.487 0.343 0.821 0.857 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 7 6.279 1.511 0.342 0.827 0.833 0.833 CB 1.143 7 residues pruned to eliminate duplicates Z: 9 8.210 1.474 0.522 0.758 1.000 0.375 CB 1.029 8 residues pruned to eliminate duplicates Z: 6 4.474 1.331 0.345 0.779 1.000 0.600 CB 0.874 3 residues pruned to eliminate duplicates Z: 7 4.971 1.398 0.328 0.662 0.833 0.333 O 1.129 7 residues pruned to eliminate duplicates Z: 8 6.363 1.367 0.684 0.607 0.857 0.571 N 1.101 7 residues pruned to eliminate duplicates Z: 16 9.017 1.424 0.433 0.781 0.867 0.600 N 1.028 15 residues pruned to eliminate duplicates Z: 9 9.842 1.581 0.787 0.648 0.875 0.625 CB 1.226 16 residues pruned to eliminate duplicates Z: 7 5.154 1.618 0.487 0.398 0.833 0.500 CB 1.168 7 residues pruned to eliminate duplicates Z: 26 15.477 1.634 0.785 0.546 0.880 0.480 CB 1.153 29 residues pruned to eliminate duplicates Z: 6 6.196 1.512 0.916 0.599 0.800 0.800 CA 1.088 6 residues pruned to eliminate duplicates Z: 16 9.460 1.716 0.832 0.299 0.733 0.333 CB 1.326 16 residues pruned to eliminate duplicates Z: 19 7.399 1.650 0.624 0.236 0.722 0.278 CB 1.224 20 residues pruned to eliminate duplicates Z: 16 11.208 1.646 0.529 0.897 1.000 0.867 CB 0.823 16 residues pruned to eliminate duplicates Z: 19 10.893 1.695 0.704 0.441 0.889 0.333 CB 1.063 19 residues pruned to eliminate duplicates Z: 22 14.249 1.754 0.577 0.605 0.952 0.286 CB 1.068 22 residues pruned to eliminate duplicates Z: 30 16.427 1.693 0.492 0.660 0.897 0.690 CB 1.161 31 residues pruned to eliminate duplicates Z: 11 12.904 1.813 0.669 0.888 1.000 0.800 CB 0.971 11 residues pruned to eliminate duplicates Z: 23 12.330 1.716 0.651 0.628 0.955 0.636 CB 0.862 23 residues pruned to eliminate duplicates Z: 28 15.894 1.701 0.631 0.604 0.889 0.519 CB 1.124 28 residues pruned to eliminate duplicates Z: 12 10.362 1.758 0.562 0.799 0.909 0.545 CB 0.963 12 residues pruned to eliminate duplicates Z: 27 17.403 1.760 0.757 0.593 0.923 0.615 CB 1.094 27 residues pruned to eliminate duplicates Z: 18 15.834 1.740 0.598 0.910 1.000 0.882 CB 0.979 18 residues pruned to eliminate duplicates Z: 26 14.662 1.719 0.667 0.640 0.920 0.640 CB 0.975 26 residues pruned to eliminate duplicates Z: 10 8.166 1.758 0.641 0.693 0.889 0.667 CB 0.890 10 residues pruned to eliminate duplicates Z: 28 10.575 1.692 0.380 0.557 0.815 0.593 CB 1.012 28 residues pruned to eliminate duplicates Z: 18 12.943 1.636 0.609 0.675 0.941 0.647 CB 1.079 14 residues pruned to eliminate duplicates Z: 19 15.218 1.710 0.695 0.904 1.000 0.944 CB 0.881 19 residues pruned to eliminate duplicates Z: 13 13.093 1.551 0.935 0.795 0.917 0.667 CB 1.061 13 residues pruned to eliminate duplicates Z: 13 16.143 1.680 1.195 0.862 1.000 0.833 CB 0.927 13 residues pruned to eliminate duplicates Z: 14 17.079 1.650 1.054 0.879 1.000 0.692 CB 1.014 18 residues pruned to eliminate duplicates Z: 12 8.005 1.507 0.367 0.932 1.000 1.000 CB 0.818 12 residues pruned to eliminate duplicates Z: 14 12.134 1.442 0.755 0.812 1.000 0.615 CB 1.013 14 residues pruned to eliminate duplicates Z: 13 11.587 1.570 0.419 0.912 1.000 0.917 CB 1.063 13 residues pruned to eliminate duplicates Z: 14 10.428 1.525 0.706 0.796 1.000 0.769 CB 0.858 14 residues pruned to eliminate duplicates Z: 15 12.416 1.535 0.540 0.876 1.000 0.786 CB 1.020 15 residues pruned to eliminate duplicates Z: 15 10.804 1.484 0.505 0.846 1.000 0.786 CB 0.960 15 residues pruned to eliminate duplicates Z: 14 12.597 1.544 0.791 0.871 0.923 0.692 CB 0.998 14 residues pruned to eliminate duplicates Z: 10 9.499 1.524 0.837 0.711 0.889 0.556 CB 1.051 10 residues pruned to eliminate duplicates Z: 11 10.967 1.606 0.581 0.868 1.000 0.800 CB 0.998 11 residues pruned to eliminate duplicates Z: 15 11.829 1.532 0.561 0.863 1.000 0.643 CB 0.970 15 residues pruned to eliminate duplicates Z: 13 8.340 1.495 0.574 0.761 0.833 0.583 CB 0.974 13 residues pruned to eliminate duplicates Z: 12 12.301 1.575 0.716 0.917 1.000 0.909 CB 0.969 12 residues pruned to eliminate duplicates Z: 17 16.506 1.690 0.374 0.788 0.938 0.875 N 1.472 17 residues pruned to eliminate duplicates Z: 12 14.063 1.710 0.485 0.698 1.000 0.727 N 1.393 11 residues pruned to eliminate duplicates Z: 15 20.361 1.783 0.514 0.863 1.000 0.786 N 1.479 15 residues pruned to eliminate duplicates Z: 16 14.139 1.665 0.454 0.709 0.933 0.533 N 1.336 16 residues pruned to eliminate duplicates Z: 13 16.234 1.749 0.650 0.694 1.000 0.667 N 1.361 12 residues pruned to eliminate duplicates Z: 16 19.787 1.780 0.573 0.860 1.000 0.800 CB 1.343 16 residues pruned to eliminate duplicates Z: 13 20.618 1.801 0.587 0.896 1.000 0.750 CB 1.491 13 residues pruned to eliminate duplicates Z: 14 22.167 1.789 0.672 0.897 1.000 0.769 CB 1.472 14 residues pruned to eliminate duplicates Z: 15 21.414 1.787 0.600 0.853 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 17 14.538 1.731 0.512 0.735 0.812 0.562 CB 1.384 17 residues pruned to eliminate duplicates Z: 15 21.732 1.764 0.647 0.879 1.000 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 19 13.857 1.695 0.542 0.628 0.889 0.500 CB 1.246 19 residues pruned to eliminate duplicates Z: 15 18.675 1.724 0.648 0.830 0.929 0.714 N 1.422 15 residues pruned to eliminate duplicates Z: 16 19.518 1.698 0.701 0.822 1.000 0.733 CB 1.321 16 residues pruned to eliminate duplicates 6 1.973 1.220 1.022 0.426 0.600 0.400 O 0.644 ? 6 1.015 1.450 0.264 0.427 0.600 0.400 CB 0.445 ? Z: 11 12.197 1.785 0.637 0.748 1.000 0.800 CB 1.058 11 residues pruned to eliminate duplicates Z: 11 10.472 1.553 0.882 0.711 0.900 0.700 CA 1.040 11 residues pruned to eliminate duplicates Z: 16 11.704 1.588 0.558 0.698 0.933 0.800 CB 1.093 15 residues pruned to eliminate duplicates Z: 14 12.583 1.707 0.612 0.879 1.000 0.923 CB 0.920 14 residues pruned to eliminate duplicates Z: 15 13.057 1.723 0.739 0.742 0.857 0.714 CB 1.093 17 residues pruned to eliminate duplicates Z: 13 11.874 1.649 0.939 0.771 0.917 0.750 CB 0.920 13 residues pruned to eliminate duplicates Z: 12 9.556 1.749 0.650 0.878 0.909 0.818 CB 0.797 12 residues pruned to eliminate duplicates Z: 13 13.247 1.790 0.708 0.821 0.917 0.500 CB 1.033 13 residues pruned to eliminate duplicates Z: 24 14.266 1.627 0.808 0.684 0.870 0.522 CB 0.982 24 residues pruned to eliminate duplicates Z: 15 14.104 1.672 0.767 0.777 0.857 0.643 CB 1.166 15 residues pruned to eliminate duplicates Z: 15 17.079 1.717 1.046 0.825 1.000 0.643 CB 0.980 15 residues pruned to eliminate duplicates Z: 27 21.708 1.738 0.732 0.876 0.962 0.769 CB 1.069 27 residues pruned to eliminate duplicates Z: 26 19.758 1.733 0.808 0.885 0.920 0.640 CB 0.990 26 residues pruned to eliminate duplicates Z: 9 8.493 1.641 0.733 0.500 0.875 0.500 CB 1.207 9 residues pruned to eliminate duplicates Z: 23 25.190 1.804 0.956 0.931 0.955 0.818 CB 1.114 23 residues pruned to eliminate duplicates Z: 14 17.221 1.741 0.752 0.707 0.923 0.538 CB 1.406 14 residues pruned to eliminate duplicates Z: 13 14.995 1.823 0.744 0.849 0.833 0.667 CB 1.211 13 residues pruned to eliminate duplicates Z: 12 19.783 1.857 0.920 0.862 1.000 0.818 CB 1.228 14 residues pruned to eliminate duplicates Z: 14 12.989 1.843 0.664 0.852 0.692 0.615 CB 1.254 14 residues pruned to eliminate duplicates Z: 13 18.588 1.859 0.744 0.781 0.917 0.583 CB 1.409 12 residues pruned to eliminate duplicates Z: 26 18.564 1.728 0.773 0.819 0.840 0.560 CB 1.093 26 residues pruned to eliminate duplicates Z: 9 8.657 1.544 0.491 0.605 1.000 0.625 CA 1.204 21 residues pruned to eliminate duplicates Z: 10 9.032 1.430 0.757 0.634 1.000 0.667 CA 1.057 8 residues pruned to eliminate duplicates Z: 9 8.315 1.502 0.601 0.567 1.000 0.500 N 1.145 9 residues pruned to eliminate duplicates Z: 19 11.647 1.570 0.564 0.485 0.944 0.500 CB 1.201 20 residues pruned to eliminate duplicates 975 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 7 D: 14 E: 10 F: 6 G: 14 H: 21 I: 16 J: 6 K: 18 L: 26 M: 12 N: 12 O: 15 P: 17 Q: 6 R: 34 S: 25 T: 14 U: 18 V: 16 W: 10 X: 41 Y: 13 Z: 8 Z: 16 Z: 42 Z: 37 Z: 17 Z: 31 Z: 27 Z: 11 Z: 33 Z: 13 Z: 36 Z: 23 Z: 32 Z: 11 Z: 29 Z: 42 Z: 34 Z: 15 Z: 16 Z: 29 Z: 17 Z: 25 Z: 23 Z: 19 CC for partial structure against native data = 31.96 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.414, Connect. = 0.657 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.683 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.715 for dens.mod. cycle 3 = 0.300, Contrast = 0.559, Connect. = 0.719 for dens.mod. cycle 4 = 0.300, Contrast = 0.567, Connect. = 0.723 for dens.mod. cycle 5 = 0.300, Contrast = 0.571, Connect. = 0.726 for dens.mod. cycle 6 = 0.300, Contrast = 0.576, Connect. = 0.728 for dens.mod. cycle 7 = 0.300, Contrast = 0.578, Connect. = 0.730 for dens.mod. cycle 8 = 0.300, Contrast = 0.580, Connect. = 0.732 for dens.mod. cycle 9 = 0.300, Contrast = 0.581, Connect. = 0.733 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4816 peaks > 0.5 sigma used to seed fragment search Space for about 1850 unique residues taking solvent into account 1111 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 16.089 1.823 0.527 0.810 1.000 0.769 CB 1.224 B: 11 18.073 1.967 1.161 0.854 0.900 0.600 CB 1.103 C: 12 20.045 1.912 0.853 0.773 0.909 0.727 CB 1.474 11 residues pruned to eliminate duplicates D: 13 20.748 1.901 0.816 0.848 1.000 0.917 CB 1.287 12 residues pruned to eliminate duplicates E: 11 16.064 1.914 0.479 0.823 0.900 0.800 CB 1.507 F: 10 20.177 2.018 1.124 0.864 0.889 0.778 CB 1.294 10 residues pruned to eliminate duplicates G: 11 16.851 1.843 0.431 0.901 1.000 1.000 CB 1.442 H: 13 20.850 1.777 0.647 0.879 1.000 0.917 N 1.492 11 residues pruned to eliminate duplicates I: 8 9.828 2.004 0.703 0.406 1.000 0.571 CB 1.202 J: 12 21.016 1.810 0.667 0.906 1.000 0.818 CA 1.493 12 residues pruned to eliminate duplicates K: 12 14.561 1.734 0.439 0.825 1.000 0.818 N 1.329 L: 12 19.761 1.922 0.734 0.914 1.000 1.000 CB 1.264 14 residues pruned to eliminate duplicates M: 12 16.297 1.920 0.265 0.874 1.000 0.909 CB 1.472 N: 9 3.546 1.876 0.120 0.295 0.875 0.250 CB 0.858 O: 12 10.656 1.624 0.183 0.918 1.000 0.818 N 1.180 P: 12 4.360 1.734 0.152 0.225 0.909 0.545 CB 0.998 9 residues pruned to eliminate duplicates Q: 13 16.770 1.891 0.746 0.831 0.917 0.667 CB 1.202 13 residues pruned to eliminate duplicates R: 14 13.495 1.627 0.491 0.856 0.923 0.923 N 1.233 12 residues pruned to eliminate duplicates S: 17 11.917 1.571 0.804 0.744 0.938 0.688 CB 0.902 T: 19 11.601 1.683 0.586 0.806 0.833 0.667 CB 0.941 U: 7 4.165 1.842 0.588 0.432 0.500 0.333 CB 1.248 V: 11 13.945 1.719 0.322 0.815 1.000 0.900 N 1.476 W: 12 21.359 1.843 0.628 0.929 1.000 0.909 N 1.502 13 residues pruned to eliminate duplicates X: 10 16.712 1.803 0.769 0.865 1.000 0.889 CB 1.280 Y: 11 15.224 1.738 0.754 0.832 1.000 0.900 N 1.186 Z: 11 13.480 1.943 0.314 0.844 0.900 0.700 CB 1.380 11 residues pruned to eliminate duplicates Z: 32 13.172 1.734 0.517 0.499 0.871 0.355 CB 1.033 17 residues pruned to eliminate duplicates Z: 6 5.282 1.993 0.641 0.485 0.800 0.600 CB 0.917 6 residues pruned to eliminate duplicates Z: 12 10.790 1.502 0.497 0.815 1.000 0.727 CB 1.101 Z: 11 14.964 1.798 0.473 0.910 1.000 1.000 CB 1.267 Z: 11 14.191 1.892 0.405 0.839 0.900 0.900 CB 1.400 11 residues pruned to eliminate duplicates Z: 13 15.997 1.816 0.553 0.879 1.000 0.750 CB 1.188 11 residues pruned to eliminate duplicates Z: 9 4.366 1.753 0.478 0.291 0.625 0.250 CB 1.206 Z: 11 11.067 1.742 0.458 0.809 0.900 0.700 CA 1.170 11 residues pruned to eliminate duplicates Z: 10 15.430 1.777 0.426 0.850 1.000 0.778 CB 1.503 Z: 13 14.752 1.898 0.687 0.788 0.917 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 16.876 1.785 0.528 0.893 1.000 0.778 CB 1.480 Z: 12 5.822 1.751 0.210 0.292 0.909 0.455 CB 1.151 11 residues pruned to eliminate duplicates Z: 11 11.156 1.786 0.408 0.896 0.800 0.700 CA 1.257 11 residues pruned to eliminate duplicates Z: 12 21.605 1.962 0.509 0.904 1.000 0.909 CB 1.567 12 residues pruned to eliminate duplicates Z: 17 12.471 1.768 0.595 0.583 0.875 0.688 CB 1.167 Z: 16 7.007 1.659 0.507 0.399 0.667 0.533 CB 1.207 Z: 10 9.086 1.555 0.762 0.876 1.000 0.778 CB 0.804 Z: 13 14.588 1.726 0.851 0.826 0.917 0.667 CB 1.084 12 residues pruned to eliminate duplicates Z: 13 11.830 1.601 0.518 0.837 0.833 0.667 CB 1.261 13 residues pruned to eliminate duplicates Z: 14 13.999 1.834 0.561 0.743 0.923 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 10 13.972 1.889 0.610 0.863 1.000 0.889 CB 1.124 Z: 11 5.799 1.668 0.143 0.391 0.800 0.400 O 1.349 Z: 6 7.749 1.719 0.378 0.838 1.000 1.000 CB 1.093 Z: 12 16.327 1.801 0.606 0.888 0.909 0.727 CB 1.349 10 residues pruned to eliminate duplicates Z: 21 22.288 1.774 0.864 0.904 0.900 0.750 CB 1.192 19 residues pruned to eliminate duplicates Z: 13 21.678 1.909 0.802 0.873 1.000 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 11 23.922 1.922 0.830 0.898 1.000 1.000 CB 1.539 Z: 10 18.279 1.869 0.686 0.862 1.000 0.889 CA 1.420 9 residues pruned to eliminate duplicates Z: 7 6.721 1.816 0.741 0.892 1.000 1.000 CB 0.623 Z: 12 17.870 1.734 0.757 0.882 1.000 0.727 N 1.280 12 residues pruned to eliminate duplicates Z: 21 22.458 1.780 0.888 0.924 1.000 0.850 CB 1.049 20 residues pruned to eliminate duplicates Z: 13 18.281 1.774 0.574 0.806 1.000 0.750 CB 1.447 12 residues pruned to eliminate duplicates Z: 10 7.656 1.534 0.739 0.853 0.889 0.667 CB 0.796 Z: 7 3.704 1.651 0.387 0.834 0.833 0.833 CB 0.594 Z: 15 13.949 1.711 0.382 0.894 1.000 0.929 CB 1.132 Z: 11 5.830 1.693 0.316 0.350 0.900 0.800 CB 1.081 Z: 13 14.345 1.657 0.404 0.905 1.000 0.833 CB 1.267 13 residues pruned to eliminate duplicates Z: 7 9.075 1.645 0.550 0.821 1.000 0.833 N 1.100 6 residues pruned to eliminate duplicates Z: 6 6.533 1.900 0.131 0.786 1.000 0.800 CB 1.057 6 residues pruned to eliminate duplicates Z: 17 14.198 1.667 0.429 0.780 0.938 0.875 CB 1.241 12 residues pruned to eliminate duplicates Z: 12 12.916 1.660 0.338 0.849 1.000 0.818 CB 1.300 12 residues pruned to eliminate duplicates Z: 11 5.694 1.511 0.842 0.329 0.800 0.300 CA 0.976 Z: 9 7.253 1.817 0.242 0.473 0.875 0.500 CB 1.335 Z: 15 10.678 1.524 0.401 0.794 0.929 0.714 CB 1.113 Z: 12 11.212 1.679 0.485 0.843 1.000 0.818 CB 1.010 10 residues pruned to eliminate duplicates Z: 13 14.321 1.680 0.391 0.839 1.000 0.833 N 1.321 13 residues pruned to eliminate duplicates Z: 13 17.570 1.808 0.636 0.886 1.000 0.917 CB 1.237 Z: 11 15.396 1.822 0.642 0.841 0.900 0.800 CB 1.348 10 residues pruned to eliminate duplicates Z: 12 10.226 1.773 0.550 0.842 0.909 0.909 CB 0.919 10 residues pruned to eliminate duplicates Z: 14 17.002 1.811 0.346 0.886 1.000 0.923 CB 1.396 Z: 12 14.053 1.718 0.442 0.869 1.000 0.636 N 1.250 13 residues pruned to eliminate duplicates Z: 13 11.875 1.673 0.595 0.855 1.000 0.583 CB 0.948 13 residues pruned to eliminate duplicates Z: 11 8.676 1.632 0.715 0.604 0.800 0.700 CB 1.110 Z: 15 10.906 1.736 0.437 0.648 0.929 0.786 CB 1.096 22 residues pruned to eliminate duplicates Z: 20 17.385 1.718 0.640 0.851 0.947 0.842 CB 1.106 20 residues pruned to eliminate duplicates Z: 11 10.212 1.621 0.561 0.890 0.900 0.900 CB 1.020 9 residues pruned to eliminate duplicates Z: 15 8.425 1.769 0.675 0.515 0.714 0.643 CB 1.049 15 residues pruned to eliminate duplicates Z: 12 18.321 1.776 0.697 0.883 1.000 0.636 CB 1.325 11 residues pruned to eliminate duplicates Z: 9 4.543 1.564 0.036 0.704 0.750 0.625 CB 1.097 Z: 14 20.455 1.769 0.720 0.811 1.000 0.692 CB 1.423 16 residues pruned to eliminate duplicates Z: 14 12.924 1.952 0.226 0.915 1.000 0.923 CB 1.058 Z: 13 8.167 1.639 0.419 0.475 0.833 0.500 N 1.248 13 residues pruned to eliminate duplicates Z: 6 3.116 1.656 0.593 0.383 0.600 0.600 CB 0.997 Z: 13 15.483 1.807 0.291 0.910 1.000 0.917 O 1.359 13 residues pruned to eliminate duplicates Z: 6 9.069 1.958 0.841 0.614 0.800 0.400 CB 1.263 Z: 7 6.276 1.709 0.412 0.509 1.000 0.833 CB 1.051 Z: 7 8.889 1.794 1.067 0.898 1.000 0.833 CB 0.700 Z: 10 7.870 1.826 -0.047 0.862 1.000 1.000 CB 1.107 Z: 11 4.387 1.534 0.313 0.271 0.700 0.400 CB 1.275 Z: 26 19.240 1.825 0.674 0.512 1.000 0.560 CB 1.245 18 residues pruned to eliminate duplicates Z: 12 9.659 1.829 0.214 0.846 1.000 0.909 CB 0.974 Z: 13 14.891 1.769 0.274 0.865 1.000 0.833 CB 1.397 Z: 11 15.370 1.802 0.734 0.803 0.900 0.900 CB 1.327 11 residues pruned to eliminate duplicates Z: 15 11.476 1.705 0.743 0.801 0.929 0.286 CB 0.854 15 residues pruned to eliminate duplicates Z: 8 9.406 1.782 0.910 0.610 0.714 0.714 N 1.318 12 residues pruned to eliminate duplicates Z: 14 11.195 1.697 0.329 0.836 0.923 0.692 CB 1.116 14 residues pruned to eliminate duplicates Z: 7 3.839 1.549 0.495 0.364 0.667 0.500 O 1.175 Z: 10 10.684 1.895 0.376 0.783 0.889 0.556 CB 1.199 10 residues pruned to eliminate duplicates Z: 14 15.055 1.689 0.372 0.834 1.000 0.923 CB 1.351 13 residues pruned to eliminate duplicates Z: 8 5.591 1.675 0.191 0.834 0.857 0.857 CB 0.926 Z: 10 12.309 1.700 0.485 0.863 1.000 1.000 CA 1.192 17 residues pruned to eliminate duplicates Z: 7 5.703 1.754 0.313 0.526 0.833 0.500 CB 1.183 11 residues pruned to eliminate duplicates Z: 12 9.198 1.504 0.526 0.792 0.909 0.818 O 1.029 12 residues pruned to eliminate duplicates Z: 13 16.842 1.704 0.759 0.898 1.000 0.750 CA 1.160 10 residues pruned to eliminate duplicates Z: 9 4.902 1.787 0.400 0.902 1.000 0.875 CB 0.494 7 residues pruned to eliminate duplicates Z: 15 12.783 1.611 0.270 0.889 0.929 0.714 CB 1.295 10 residues pruned to eliminate duplicates Z: 14 15.772 1.717 0.346 0.836 1.000 0.769 CB 1.417 13 residues pruned to eliminate duplicates Z: 12 17.219 1.890 0.624 0.849 0.909 0.545 N 1.379 12 residues pruned to eliminate duplicates Z: 15 9.832 1.548 0.332 0.812 0.857 0.571 CB 1.133 14 residues pruned to eliminate duplicates Z: 19 8.924 1.756 0.389 0.366 0.889 0.389 CB 1.120 22 residues pruned to eliminate duplicates Z: 10 13.782 1.594 0.924 0.680 1.000 0.556 N 1.269 10 residues pruned to eliminate duplicates Z: 9 17.576 1.887 1.062 0.818 1.000 0.625 N 1.212 10 residues pruned to eliminate duplicates Z: 13 10.186 1.484 0.411 0.735 1.000 0.500 CA 1.137 Z: 8 5.458 1.850 -0.046 0.820 1.000 0.714 CB 0.886 Z: 7 11.333 1.686 0.412 0.805 1.000 0.667 CB 1.490 Z: 9 7.049 1.711 0.101 0.555 0.875 0.375 O 1.433 12 residues pruned to eliminate duplicates Z: 12 18.356 1.831 0.781 0.849 0.818 0.727 CB 1.538 12 residues pruned to eliminate duplicates Z: 11 19.484 1.861 0.727 0.880 0.900 0.900 N 1.544 12 residues pruned to eliminate duplicates 6 1.264 1.777 0.622 0.794 1.000 0.800 CB 0.151 ? Z: 12 7.359 1.612 0.495 0.508 0.909 0.636 CB 1.004 8 residues pruned to eliminate duplicates Z: 10 7.087 1.679 0.237 0.752 0.778 0.556 CB 1.167 10 residues pruned to eliminate duplicates Z: 12 4.802 1.598 0.312 0.904 0.909 0.636 CB 0.541 Z: 11 15.132 1.790 0.501 0.849 1.000 0.900 CB 1.320 11 residues pruned to eliminate duplicates Z: 13 13.872 1.689 0.509 0.871 0.917 0.833 CB 1.249 15 residues pruned to eliminate duplicates Z: 12 12.392 1.789 0.773 0.857 1.000 0.818 CB 0.868 12 residues pruned to eliminate duplicates Z: 20 17.214 1.698 0.563 0.887 1.000 0.895 CB 1.073 15 residues pruned to eliminate duplicates Z: 14 11.482 1.592 0.797 0.719 0.769 0.615 CB 1.188 12 residues pruned to eliminate duplicates Z: 13 14.860 1.601 0.617 0.843 1.000 0.750 CB 1.234 10 residues pruned to eliminate duplicates Z: 10 3.890 1.596 0.318 0.336 0.778 0.444 CB 0.948 Z: 12 16.955 1.790 0.649 0.812 1.000 0.818 CB 1.319 14 residues pruned to eliminate duplicates Z: 6 4.381 1.265 0.536 0.694 1.000 0.800 O 0.844 Z: 9 10.410 1.662 0.561 0.904 1.000 1.000 CB 1.011 9 residues pruned to eliminate duplicates Z: 9 14.301 1.689 0.862 0.805 0.875 0.750 N 1.409 9 residues pruned to eliminate duplicates Z: 7 8.288 1.392 1.113 0.706 1.000 0.667 N 0.954 6 1.917 1.392 0.893 0.298 0.600 0.600 CB 0.680 ? Z: 9 15.993 1.775 0.661 0.845 1.000 0.500 N 1.426 9 residues pruned to eliminate duplicates Z: 9 7.004 1.777 0.382 0.759 0.875 0.625 CB 0.915 Z: 15 16.957 1.739 0.405 0.864 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 10 14.679 1.699 0.671 0.847 1.000 0.667 N 1.279 6 residues pruned to eliminate duplicates Z: 11 12.246 1.602 0.594 0.777 0.900 0.700 CA 1.320 11 residues pruned to eliminate duplicates Z: 12 12.403 1.674 0.946 0.774 0.727 0.545 N 1.240 12 residues pruned to eliminate duplicates 6 1.969 1.640 -0.004 0.197 0.600 0.600 CB 1.289 ? Z: 12 11.018 1.725 0.391 0.573 0.909 0.545 N 1.420 Z: 14 16.998 1.668 0.773 0.881 1.000 0.692 CB 1.155 14 residues pruned to eliminate duplicates Z: 11 11.262 1.701 0.355 0.858 1.000 0.800 CB 1.138 Z: 8 6.012 1.589 0.154 0.836 0.857 0.571 CB 1.081 8 residues pruned to eliminate duplicates Z: 16 12.366 1.734 0.669 0.523 0.867 0.467 N 1.244 11 residues pruned to eliminate duplicates Z: 8 6.934 1.588 1.024 0.539 0.714 0.571 CB 1.098 Z: 8 3.883 1.522 0.572 0.325 0.714 0.429 N 1.041 Z: 12 22.478 1.899 0.614 0.927 1.000 1.000 CA 1.549 12 residues pruned to eliminate duplicates Z: 8 4.119 1.569 0.190 0.555 1.000 0.429 CB 0.790 Z: 11 9.046 1.691 0.737 0.516 0.800 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 16 5.096 1.554 0.333 0.320 0.733 0.467 CB 1.056 Z: 11 15.491 1.730 0.733 0.925 1.000 1.000 CB 1.146 11 residues pruned to eliminate duplicates Z: 11 9.145 1.748 0.636 0.907 1.000 0.800 CB 0.719 Z: 10 15.065 1.858 0.475 0.872 1.000 0.778 N 1.335 10 residues pruned to eliminate duplicates Z: 18 7.239 1.539 0.310 0.434 0.765 0.412 CB 1.220 Z: 17 12.908 1.583 0.801 0.871 0.938 0.750 CB 0.881 6 residues pruned to eliminate duplicates Z: 7 6.591 1.448 0.338 0.834 1.000 0.833 CB 1.041 Z: 12 13.373 1.533 0.754 0.869 0.909 0.636 N 1.205 12 residues pruned to eliminate duplicates Z: 10 4.935 1.498 -0.095 0.870 1.000 0.889 CB 0.885 Z: 15 19.287 1.933 0.555 0.917 1.000 0.929 CB 1.210 14 residues pruned to eliminate duplicates Z: 12 15.526 1.680 0.739 0.861 1.000 0.818 CB 1.178 11 residues pruned to eliminate duplicates Z: 12 12.725 1.850 0.215 0.885 1.000 1.000 CB 1.233 12 residues pruned to eliminate duplicates Z: 11 12.624 1.856 0.465 0.868 1.000 0.800 CB 1.074 11 residues pruned to eliminate duplicates Z: 13 18.423 1.741 0.474 0.913 1.000 0.917 CB 1.468 12 residues pruned to eliminate duplicates 6 0.654 1.359 -0.040 0.479 0.600 0.600 CB 0.382 ? Z: 7 2.915 1.445 0.289 0.348 0.667 0.333 CB 1.131 Z: 9 8.667 1.902 0.095 0.858 0.875 0.875 CB 1.239 9 residues pruned to eliminate duplicates Z: 7 10.009 1.708 0.262 0.911 1.000 1.000 O 1.344 6 residues pruned to eliminate duplicates Z: 12 20.226 1.933 0.448 0.897 1.000 0.909 CB 1.560 12 residues pruned to eliminate duplicates Z: 12 13.068 1.825 0.710 0.854 0.818 0.545 CB 1.140 12 residues pruned to eliminate duplicates Z: 26 9.553 1.644 0.433 0.418 0.920 0.680 CB 0.960 27 residues pruned to eliminate duplicates Z: 12 11.249 1.657 0.426 0.847 0.818 0.636 N 1.303 12 residues pruned to eliminate duplicates Z: 9 6.196 1.588 0.703 0.402 0.875 0.375 CB 1.026 9 residues pruned to eliminate duplicates Z: 11 16.971 1.801 0.522 0.892 1.000 0.800 CB 1.406 12 residues pruned to eliminate duplicates Z: 8 19.445 1.980 0.891 0.866 1.000 1.000 CA 1.437 8 residues pruned to eliminate duplicates Z: 11 13.471 1.807 0.508 0.789 0.900 0.700 CB 1.347 11 residues pruned to eliminate duplicates Z: 18 11.407 1.609 0.559 0.854 0.882 0.647 CB 0.923 9 residues pruned to eliminate duplicates Z: 13 17.132 1.669 0.580 0.851 1.000 0.917 N 1.388 13 residues pruned to eliminate duplicates Z: 6 2.191 1.359 0.092 0.704 0.800 0.200 CB 0.686 Z: 15 10.090 1.577 0.557 0.821 0.929 0.714 CB 0.895 Z: 14 16.833 1.691 0.910 0.839 0.846 0.615 N 1.275 13 residues pruned to eliminate duplicates Z: 10 8.206 1.695 0.306 0.850 0.778 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 6 6.080 1.634 0.192 0.622 1.000 0.600 CB 1.245 Z: 14 9.830 1.668 0.748 0.612 1.000 0.692 CB 0.841 14 residues pruned to eliminate duplicates Z: 12 9.037 1.688 0.472 0.626 0.727 0.455 CB 1.339 12 residues pruned to eliminate duplicates Z: 12 12.421 1.716 0.470 0.871 1.000 0.818 CB 1.082 12 residues pruned to eliminate duplicates Z: 9 4.576 1.531 0.671 0.509 1.000 0.750 CB 0.626 7 residues pruned to eliminate duplicates Z: 8 5.389 1.526 0.451 0.767 0.714 0.571 CB 1.017 8 residues pruned to eliminate duplicates Z: 13 14.946 1.768 0.450 0.810 0.917 0.917 CB 1.401 13 residues pruned to eliminate duplicates Z: 11 16.062 1.730 0.789 0.885 0.900 0.800 CB 1.317 10 residues pruned to eliminate duplicates Z: 11 3.290 1.635 0.235 0.262 0.700 0.500 CB 0.966 11 residues pruned to eliminate duplicates Z: 12 17.307 1.701 0.540 0.882 1.000 0.818 CA 1.441 10 residues pruned to eliminate duplicates Z: 15 16.508 1.904 0.452 0.911 1.000 0.929 CB 1.131 15 residues pruned to eliminate duplicates Z: 12 15.560 1.732 0.694 0.796 0.818 0.727 CB 1.507 12 residues pruned to eliminate duplicates Z: 11 8.713 1.776 0.366 0.857 1.000 0.900 CB 0.838 10 residues pruned to eliminate duplicates Z: 13 14.396 1.837 0.418 0.901 1.000 0.917 CB 1.138 13 residues pruned to eliminate duplicates Z: 8 3.760 1.553 0.393 0.357 0.714 0.286 CB 1.073 Z: 8 10.321 1.542 0.441 0.894 1.000 1.000 CB 1.259 8 residues pruned to eliminate duplicates 9 1.941 1.563 0.135 0.349 0.625 0.375 CB 0.729 ? Z: 6 3.219 1.791 0.425 0.320 0.600 0.400 CB 1.147 Z: 27 19.344 1.858 0.550 0.558 0.962 0.577 CB 1.295 35 residues pruned to eliminate duplicates Z: 11 13.484 1.987 0.717 0.696 0.900 0.600 CB 1.160 16 residues pruned to eliminate duplicates Z: 11 14.357 1.660 0.709 0.703 1.000 0.800 N 1.330 11 residues pruned to eliminate duplicates Z: 8 2.516 1.763 0.192 0.800 1.000 0.857 CB 0.348 6 residues pruned to eliminate duplicates 10 1.949 1.351 0.402 0.208 0.778 0.444 CB 0.623 ? Z: 13 11.312 1.633 0.442 0.781 1.000 0.500 CB 1.083 13 residues pruned to eliminate duplicates Z: 9 10.412 1.762 0.797 0.631 0.750 0.625 CA 1.370 9 residues pruned to eliminate duplicates Z: 15 17.067 1.701 0.426 0.883 1.000 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 7 4.099 1.506 0.302 0.399 1.000 0.833 CB 0.950 Z: 12 16.020 1.903 0.410 0.906 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 8 4.391 1.756 0.091 0.450 0.857 0.571 CB 1.063 Z: 6 2.394 1.617 0.835 0.783 1.000 0.800 CB 0.281 Z: 6 4.382 1.451 0.266 0.554 1.000 0.600 N 1.012 Z: 9 10.978 1.638 0.457 0.845 1.000 0.875 CB 1.209 9 residues pruned to eliminate duplicates Z: 10 5.719 1.638 0.384 0.414 0.889 0.667 CB 1.035 Z: 12 13.288 1.701 0.272 0.893 1.000 1.000 CB 1.329 12 residues pruned to eliminate duplicates Z: 12 10.392 1.746 0.251 0.878 1.000 0.909 CB 1.041 12 residues pruned to eliminate duplicates Z: 8 6.533 1.629 0.440 0.762 1.000 0.714 CB 0.834 7 residues pruned to eliminate duplicates Z: 11 15.144 1.658 0.866 0.890 0.900 0.900 N 1.238 10 residues pruned to eliminate duplicates Z: 11 11.842 1.654 0.505 0.921 1.000 1.000 CB 1.059 11 residues pruned to eliminate duplicates Z: 10 7.455 1.593 0.536 0.584 1.000 0.667 CB 0.937 10 residues pruned to eliminate duplicates Z: 19 8.830 1.707 0.307 0.503 0.833 0.444 CB 1.116 Z: 11 4.836 1.802 0.410 0.359 0.700 0.500 CB 1.001 Z: 16 9.001 1.555 0.299 0.851 0.800 0.533 N 1.065 16 residues pruned to eliminate duplicates Z: 7 4.880 1.388 0.627 0.692 0.833 0.500 CB 0.888 Z: 9 4.163 1.449 0.144 0.386 0.875 0.500 CB 1.144 5 residues pruned to eliminate duplicates Z: 8 2.953 1.632 0.269 0.323 0.571 0.429 N 1.146 Z: 10 12.589 1.785 0.266 0.863 1.000 0.556 CB 1.361 10 residues pruned to eliminate duplicates Z: 13 14.970 1.792 0.435 0.840 0.917 0.917 CB 1.368 11 residues pruned to eliminate duplicates Z: 8 4.659 1.616 0.521 0.723 0.857 0.714 CB 0.683 Z: 8 3.726 1.756 0.204 0.403 0.571 0.429 CB 1.291 9 residues pruned to eliminate duplicates Z: 7 6.321 1.439 0.505 0.726 0.833 0.667 N 1.166 Z: 8 8.563 1.657 0.446 0.898 1.000 1.000 CB 0.966 8 residues pruned to eliminate duplicates Z: 17 8.955 1.830 0.689 0.491 0.688 0.562 CB 1.063 17 residues pruned to eliminate duplicates Z: 6 4.263 1.773 -0.016 0.725 0.800 0.800 CB 1.115 Z: 8 11.355 2.048 0.255 0.822 0.857 0.714 CB 1.474 8 residues pruned to eliminate duplicates Z: 7 6.987 1.541 0.631 0.548 0.833 0.667 O 1.299 Z: 10 7.962 1.843 0.503 0.869 1.000 0.778 CB 0.700 10 residues pruned to eliminate duplicates Z: 8 7.642 1.748 0.527 0.418 0.857 0.429 N 1.376 8 residues pruned to eliminate duplicates Z: 10 8.597 1.689 0.445 0.460 1.000 0.333 CB 1.223 10 residues pruned to eliminate duplicates Z: 12 14.876 1.779 0.497 0.871 1.000 0.909 CB 1.229 12 residues pruned to eliminate duplicates Z: 7 6.986 1.694 0.451 0.632 1.000 0.500 CB 1.024 Z: 12 12.981 1.671 0.389 0.859 1.000 0.818 CB 1.240 13 residues pruned to eliminate duplicates Z: 11 13.285 1.711 0.715 0.802 1.000 0.900 CB 1.099 11 residues pruned to eliminate duplicates Z: 15 14.084 1.650 0.638 0.847 0.857 0.286 N 1.207 15 residues pruned to eliminate duplicates Z: 16 17.932 1.917 0.348 0.930 1.000 1.000 CB 1.252 16 residues pruned to eliminate duplicates Z: 7 4.645 1.394 0.392 0.771 0.833 0.500 CA 0.922 7 residues pruned to eliminate duplicates Z: 17 17.784 1.820 0.707 0.875 0.938 0.688 CB 1.110 17 residues pruned to eliminate duplicates Z: 6 2.570 1.582 0.842 0.781 0.800 0.800 CB 0.385 Z: 11 13.410 1.591 0.836 0.846 1.000 0.500 CB 1.078 12 residues pruned to eliminate duplicates Z: 12 10.212 1.633 0.591 0.789 0.727 0.455 CB 1.265 12 residues pruned to eliminate duplicates Z: 9 9.923 1.624 0.633 0.845 1.000 0.625 CB 0.983 Z: 12 18.839 1.786 0.862 0.892 1.000 0.909 CB 1.227 11 residues pruned to eliminate duplicates Z: 8 7.818 1.651 0.650 0.788 0.857 0.571 CB 0.983 8 residues pruned to eliminate duplicates Z: 15 5.507 1.492 0.355 0.358 0.786 0.571 CB 1.080 Z: 12 4.353 1.661 -0.051 0.416 0.909 0.636 CB 1.000 4 residues pruned to eliminate duplicates Z: 7 3.604 1.445 0.175 0.387 0.833 0.500 CB 1.173 6 1.884 1.051 0.259 0.426 0.800 0.600 O 0.859 ? Z: 9 11.308 1.827 0.587 0.635 0.875 0.750 N 1.389 9 residues pruned to eliminate duplicates Z: 23 18.485 1.776 0.869 0.883 0.864 0.682 CB 0.994 23 residues pruned to eliminate duplicates Z: 6 4.309 1.554 0.650 0.865 0.800 0.800 CB 0.688 Z: 13 9.179 1.571 0.271 0.781 0.917 0.417 N 1.130 13 residues pruned to eliminate duplicates Z: 7 3.183 1.361 0.369 0.728 0.833 0.667 CB 0.681 Z: 13 15.623 1.749 0.513 0.896 1.000 0.833 CB 1.220 18 residues pruned to eliminate duplicates Z: 10 2.241 1.318 0.568 0.490 0.667 0.556 CB 0.548 Z: 8 9.707 1.626 0.411 0.887 1.000 1.000 CB 1.153 8 residues pruned to eliminate duplicates Z: 14 6.319 1.643 0.489 0.352 0.846 0.385 CB 0.995 14 residues pruned to eliminate duplicates Z: 9 13.403 2.006 0.396 0.764 0.875 0.750 CB 1.529 9 residues pruned to eliminate duplicates Z: 8 2.107 1.418 0.751 0.279 0.429 0.286 O 0.961 Z: 20 14.204 1.815 0.616 0.555 0.842 0.684 CB 1.250 21 residues pruned to eliminate duplicates Z: 13 7.317 1.513 0.546 0.864 0.750 0.500 CB 0.883 14 residues pruned to eliminate duplicates Z: 31 11.863 1.588 0.487 0.389 0.867 0.567 CB 1.191 12 residues pruned to eliminate duplicates Z: 26 16.602 1.548 0.498 0.843 0.880 0.680 CB 1.212 19 residues pruned to eliminate duplicates Z: 12 14.755 1.765 0.516 0.878 1.000 0.818 CB 1.207 12 residues pruned to eliminate duplicates Z: 17 10.442 1.803 0.375 0.660 0.938 0.562 CB 0.968 17 residues pruned to eliminate duplicates Z: 11 5.119 1.536 0.125 0.329 1.000 0.400 C 1.130 Z: 7 5.107 1.588 0.907 0.522 0.667 0.333 N 1.011 7 residues pruned to eliminate duplicates Z: 16 19.971 1.940 0.398 0.926 1.000 1.000 CB 1.333 16 residues pruned to eliminate duplicates Z: 18 12.166 1.786 0.617 0.610 0.882 0.588 CB 1.043 18 residues pruned to eliminate duplicates Z: 9 7.182 1.785 0.269 0.522 0.875 0.750 CB 1.254 9 residues pruned to eliminate duplicates Z: 7 5.467 1.581 -0.010 0.636 1.000 0.500 O 1.255 7 residues pruned to eliminate duplicates Z: 22 15.148 1.623 0.817 0.919 1.000 0.762 CB 0.790 18 residues pruned to eliminate duplicates Z: 7 2.121 1.413 0.419 0.798 0.833 0.833 CB 0.399 Z: 12 8.524 1.672 0.502 0.522 0.909 0.455 CB 1.102 12 residues pruned to eliminate duplicates Z: 23 9.457 1.731 0.470 0.369 0.818 0.364 CB 1.114 33 residues pruned to eliminate duplicates Z: 10 11.795 1.884 0.432 0.777 0.889 0.556 CB 1.284 10 residues pruned to eliminate duplicates Z: 9 2.542 1.410 0.418 0.313 0.625 0.500 CB 0.885 7 0.920 1.150 0.308 0.367 0.500 0.167 CB 0.575 ? Z: 11 13.972 1.714 0.466 0.864 1.000 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 8 3.719 1.512 0.464 0.517 0.857 0.429 CB 0.728 Z: 14 11.874 1.694 0.441 0.801 0.923 0.692 CB 1.123 14 residues pruned to eliminate duplicates Z: 13 15.511 1.636 0.565 0.855 1.000 0.750 CB 1.291 13 residues pruned to eliminate duplicates Z: 8 5.530 1.761 0.142 0.467 0.857 0.571 CB 1.253 8 residues pruned to eliminate duplicates Z: 10 7.901 1.695 0.436 0.511 0.778 0.556 CB 1.376 11 residues pruned to eliminate duplicates Z: 6 9.395 1.613 0.610 0.805 1.000 0.800 CB 1.240 7 residues pruned to eliminate duplicates Z: 7 8.456 1.924 0.717 0.850 1.000 1.000 CB 0.774 7 residues pruned to eliminate duplicates Z: 12 19.460 1.852 0.687 0.887 1.000 0.818 CB 1.353 12 residues pruned to eliminate duplicates Z: 6 3.348 1.235 0.436 0.596 0.800 0.600 CB 0.962 Z: 9 4.863 1.526 0.634 0.210 0.750 0.375 N 1.295 Z: 10 2.944 1.401 0.688 0.165 0.667 0.444 CB 0.936 Z: 11 2.865 1.478 0.230 0.345 0.700 0.500 CB 0.842 33 residues pruned to eliminate duplicates Z: 11 7.889 1.605 0.402 0.863 1.000 0.900 CB 0.813 Z: 12 11.532 1.737 0.554 0.893 1.000 1.000 CB 0.925 12 residues pruned to eliminate duplicates Z: 12 16.483 1.739 0.728 0.895 1.000 0.727 N 1.185 12 residues pruned to eliminate duplicates Z: 14 14.461 1.691 0.583 0.841 1.000 0.692 CB 1.118 13 residues pruned to eliminate duplicates 6 1.917 1.556 0.267 0.108 0.800 0.600 CB 0.895 ? 6 1.549 1.469 0.741 0.429 0.600 0.600 CB 0.486 ? Z: 11 7.930 1.894 0.206 0.741 0.900 0.800 CB 0.983 11 residues pruned to eliminate duplicates Z: 6 3.122 1.574 0.446 0.830 1.000 0.600 CB 0.461 Z: 7 2.721 1.300 0.239 0.833 1.000 0.667 CB 0.517 Z: 7 3.181 1.423 0.439 0.738 1.000 0.500 CB 0.512 Z: 10 6.617 1.704 0.387 0.915 1.000 1.000 CB 0.659 Z: 6 7.130 1.478 0.409 0.772 1.000 0.800 N 1.203 Z: 6 4.031 1.531 0.767 0.294 0.800 0.800 CB 1.050 Z: 16 8.916 1.410 0.259 0.800 1.000 0.600 CB 0.998 Z: 8 6.005 1.769 0.426 0.701 0.714 0.571 CB 1.049 Z: 27 12.372 1.683 0.469 0.497 0.846 0.615 CB 1.164 27 residues pruned to eliminate duplicates Z: 22 12.580 1.676 0.665 0.891 0.952 0.714 CB 0.743 11 residues pruned to eliminate duplicates Z: 10 3.151 1.508 0.777 0.369 0.667 0.444 CB 0.677 10 residues pruned to eliminate duplicates Z: 10 5.684 1.597 0.133 0.445 0.889 0.667 CB 1.246 Z: 26 12.739 1.543 0.370 0.881 0.960 0.840 CB 0.909 24 residues pruned to eliminate duplicates Z: 13 5.963 1.715 0.185 0.369 0.833 0.417 CB 1.169 11 residues pruned to eliminate duplicates Z: 11 8.488 1.447 0.872 0.833 1.000 0.700 CB 0.743 8 residues pruned to eliminate duplicates Z: 9 8.988 1.973 0.209 0.640 0.750 0.625 CB 1.558 9 residues pruned to eliminate duplicates Z: 13 7.590 1.502 0.310 0.791 0.750 0.500 CB 1.151 13 residues pruned to eliminate duplicates Z: 21 15.151 1.785 0.786 0.489 0.850 0.550 CB 1.264 13 residues pruned to eliminate duplicates Z: 6 5.340 1.465 0.363 0.444 1.000 0.600 O 1.266 Z: 8 4.870 1.517 0.338 0.740 0.857 0.571 CB 0.853 Z: 25 10.256 1.700 0.521 0.446 0.792 0.458 CB 1.081 25 residues pruned to eliminate duplicates Z: 6 2.927 1.346 0.122 0.385 1.000 0.400 N 0.979 Z: 8 3.071 1.448 0.407 0.258 0.857 0.429 CB 0.878 Z: 9 2.786 1.552 0.655 0.198 0.500 0.250 O 1.099 Z: 10 6.715 1.689 0.604 0.900 1.000 0.889 CB 0.590 10 residues pruned to eliminate duplicates Z: 6 5.880 1.286 0.511 0.771 1.000 0.800 CB 1.064 Z: 21 17.697 1.684 0.587 0.916 1.000 0.850 CB 1.046 20 residues pruned to eliminate duplicates Z: 7 6.691 1.823 0.107 0.618 1.000 0.833 CB 1.211 6 residues pruned to eliminate duplicates Z: 13 12.533 1.686 0.596 0.804 0.917 0.667 CB 1.125 13 residues pruned to eliminate duplicates Z: 7 3.020 1.462 0.278 0.373 0.667 0.500 CB 1.135 Z: 16 14.094 1.709 0.380 0.900 1.000 0.800 CB 1.101 21 residues pruned to eliminate duplicates Z: 8 4.595 1.385 0.430 0.723 0.714 0.571 CB 1.004 Z: 12 10.543 1.620 0.648 0.855 1.000 0.727 CB 0.879 12 residues pruned to eliminate duplicates Z: 6 4.563 1.494 0.006 0.799 1.000 0.800 CB 1.046 Z: 15 18.586 1.716 0.553 0.898 1.000 0.857 CB 1.333 15 residues pruned to eliminate duplicates Z: 12 10.133 1.632 0.568 0.853 1.000 0.545 CB 0.882 11 residues pruned to eliminate duplicates Z: 15 10.297 1.532 0.293 0.896 0.929 0.714 CB 1.071 Z: 17 11.340 1.662 0.608 0.565 0.750 0.438 CB 1.329 17 residues pruned to eliminate duplicates Z: 6 2.989 1.597 0.163 0.411 0.800 0.600 CB 0.987 6 residues pruned to eliminate duplicates Z: 7 2.667 1.328 0.778 0.397 0.833 0.667 N 0.617 Z: 9 10.224 1.482 1.057 0.715 0.875 0.500 CB 1.115 Z: 6 2.860 1.556 0.408 0.806 1.000 0.800 CB 0.447 Z: 14 9.712 1.498 0.822 0.848 0.846 0.615 CB 0.865 14 residues pruned to eliminate duplicates Z: 7 2.536 1.699 0.244 0.895 1.000 1.000 CB 0.351 Z: 13 8.973 1.717 0.448 0.447 0.917 0.583 CB 1.200 11 residues pruned to eliminate duplicates Z: 9 3.384 1.412 0.142 0.619 0.750 0.750 CB 0.884 8 residues pruned to eliminate duplicates Z: 6 5.105 1.517 0.599 0.599 0.800 0.400 CB 1.071 Z: 9 3.973 1.392 0.075 0.848 1.000 0.625 CB 0.696 Z: 8 3.714 1.642 0.034 0.551 1.000 0.571 CB 0.787 Z: 14 14.927 1.686 0.568 0.840 1.000 0.846 CB 1.169 14 residues pruned to eliminate duplicates Z: 19 9.775 1.691 0.421 0.584 0.778 0.667 CB 1.138 19 residues pruned to eliminate duplicates Z: 8 4.204 1.496 0.240 0.497 0.857 0.429 CB 1.003 Z: 11 6.360 1.518 0.470 0.423 0.800 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 7 9.094 1.590 0.672 0.804 1.000 0.667 CB 1.071 10 residues pruned to eliminate duplicates Z: 6 4.457 1.328 0.235 0.757 1.000 0.600 CB 0.967 Z: 10 5.557 1.430 0.433 0.643 1.000 0.556 CB 0.791 Z: 9 11.024 1.753 0.804 0.769 1.000 0.750 CB 0.970 9 residues pruned to eliminate duplicates Z: 7 3.816 1.556 0.520 0.878 1.000 0.833 CB 0.478 Z: 9 6.825 1.778 0.291 0.859 1.000 0.875 CB 0.774 8 residues pruned to eliminate duplicates Z: 7 7.181 1.564 0.613 0.762 1.000 0.667 CB 0.921 7 residues pruned to eliminate duplicates Z: 19 5.898 1.513 0.653 0.369 0.778 0.389 CB 0.823 9 residues pruned to eliminate duplicates Z: 9 11.499 1.652 0.464 0.867 1.000 1.000 CB 1.230 9 residues pruned to eliminate duplicates Z: 11 8.873 1.552 0.351 0.790 0.900 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 10 10.637 1.752 0.210 0.755 1.000 0.889 CB 1.333 10 residues pruned to eliminate duplicates Z: 8 3.824 1.557 0.335 0.323 0.714 0.429 O 1.183 Z: 10 11.317 1.489 0.763 0.858 1.000 0.556 CB 1.058 7 residues pruned to eliminate duplicates Z: 11 14.526 1.707 0.679 0.889 1.000 0.600 CB 1.154 11 residues pruned to eliminate duplicates Z: 14 17.846 1.805 0.530 0.883 1.000 0.923 CB 1.296 14 residues pruned to eliminate duplicates Z: 12 12.609 1.482 0.529 0.915 1.000 0.909 CB 1.186 10 residues pruned to eliminate duplicates Z: 8 10.429 1.666 0.323 0.859 1.000 0.571 CB 1.316 8 residues pruned to eliminate duplicates Z: 8 5.300 1.359 0.893 0.813 0.857 0.429 N 0.692 7 residues pruned to eliminate duplicates Z: 8 18.896 1.853 0.873 0.814 1.000 0.571 CB 1.566 8 residues pruned to eliminate duplicates Z: 6 4.234 1.782 0.712 0.748 1.000 0.400 CB 0.497 9 residues pruned to eliminate duplicates Z: 14 16.859 1.729 0.548 0.784 1.000 0.769 CB 1.360 14 residues pruned to eliminate duplicates Z: 8 3.954 1.339 0.315 0.640 0.857 0.429 CB 0.869 8 residues pruned to eliminate duplicates Z: 9 2.436 1.300 0.855 0.285 0.500 0.375 CA 0.910 Z: 10 5.562 1.589 0.760 0.668 0.667 0.556 CB 0.851 10 residues pruned to eliminate duplicates Z: 8 7.483 1.472 0.434 0.785 1.000 0.429 CB 1.043 Z: 7 2.738 1.706 0.459 0.852 0.667 0.667 CB 0.498 Z: 11 8.224 1.383 0.256 0.924 1.000 1.000 CB 1.052 7 residues pruned to eliminate duplicates Z: 6 2.341 1.413 0.435 0.271 0.800 0.600 CB 0.837 Z: 11 10.400 1.800 0.232 0.888 1.000 1.000 CB 1.068 17 residues pruned to eliminate duplicates Z: 8 2.726 1.222 0.755 0.228 0.714 0.286 CB 0.924 Z: 7 3.270 1.608 0.184 0.512 0.667 0.667 CB 1.040 7 residues pruned to eliminate duplicates Z: 8 5.714 1.826 0.468 0.838 1.000 0.857 CB 0.602 8 residues pruned to eliminate duplicates Z: 7 6.513 1.393 0.602 0.860 1.000 0.333 CB 0.876 7 residues pruned to eliminate duplicates Z: 6 3.218 1.218 0.480 0.808 0.800 0.800 CB 0.763 Z: 8 3.987 1.675 0.279 0.670 0.857 0.857 CB 0.701 8 residues pruned to eliminate duplicates Z: 25 11.644 1.620 0.295 0.873 0.917 0.875 CB 0.900 25 residues pruned to eliminate duplicates Z: 7 2.913 1.471 0.040 0.466 0.667 0.333 N 1.206 Z: 6 6.949 1.722 0.789 0.476 1.000 1.000 CB 1.033 Z: 14 13.561 1.558 0.610 0.832 0.923 0.615 CA 1.220 14 residues pruned to eliminate duplicates Z: 13 9.440 1.684 0.286 0.547 0.833 0.667 N 1.442 13 residues pruned to eliminate duplicates Z: 18 11.385 1.670 0.605 0.826 1.000 0.706 CB 0.777 18 residues pruned to eliminate duplicates Z: 9 5.416 1.659 0.469 0.782 0.875 0.875 CB 0.701 9 residues pruned to eliminate duplicates Z: 13 12.561 1.711 0.410 0.855 1.000 0.750 CB 1.109 13 residues pruned to eliminate duplicates Z: 11 3.916 1.449 0.741 0.312 0.700 0.100 CB 0.863 Z: 7 9.450 1.577 0.882 0.819 1.000 0.667 CB 0.985 Z: 6 5.256 1.449 0.347 0.487 1.000 0.800 N 1.220 Z: 9 3.815 1.607 0.602 0.325 0.625 0.500 O 1.017 9 residues pruned to eliminate duplicates Z: 7 2.081 1.224 0.046 0.325 1.000 0.833 CB 0.804 Z: 6 2.399 1.408 0.415 0.586 0.800 0.600 CB 0.620 Z: 10 19.676 1.854 0.778 0.869 1.000 0.889 CA 1.454 10 residues pruned to eliminate duplicates Z: 6 6.703 1.635 0.413 0.873 1.000 1.000 CB 0.945 6 residues pruned to eliminate duplicates Z: 9 4.041 1.558 0.421 0.311 0.875 0.750 CB 0.909 Z: 7 4.499 1.551 -0.052 0.847 1.000 1.000 CB 0.927 Z: 14 11.676 1.705 0.540 0.788 0.923 0.538 CB 1.038 14 residues pruned to eliminate duplicates Z: 9 15.334 1.862 0.746 0.773 1.000 0.750 CB 1.310 9 residues pruned to eliminate duplicates Z: 15 8.707 1.433 0.444 0.812 0.929 0.500 CB 0.923 15 residues pruned to eliminate duplicates Z: 9 7.493 1.657 0.296 0.894 1.000 0.875 CB 0.885 9 residues pruned to eliminate duplicates Z: 6 2.722 1.212 0.634 0.456 0.800 0.800 O 0.804 Z: 13 7.819 1.698 0.359 0.846 1.000 0.917 CB 0.727 9 residues pruned to eliminate duplicates Z: 9 5.666 1.410 0.368 0.545 0.875 0.625 N 1.135 8 residues pruned to eliminate duplicates Z: 15 11.025 1.808 0.459 0.530 0.857 0.500 CB 1.266 18 residues pruned to eliminate duplicates 6 1.643 1.385 -0.132 0.361 1.000 0.600 CB 0.710 ? Z: 10 5.396 1.255 0.603 0.691 1.000 0.889 CA 0.751 8 residues pruned to eliminate duplicates Z: 8 8.327 1.718 0.351 0.831 1.000 0.714 CB 1.019 8 residues pruned to eliminate duplicates Z: 8 5.818 1.590 0.375 0.470 0.857 0.429 CB 1.210 Z: 11 10.532 1.691 0.206 0.884 0.900 0.900 CB 1.311 11 residues pruned to eliminate duplicates Z: 15 10.231 1.691 0.443 0.759 0.857 0.786 CB 1.039 15 residues pruned to eliminate duplicates Z: 7 10.923 1.526 0.833 0.730 1.000 0.500 CA 1.296 7 residues pruned to eliminate duplicates Z: 14 13.086 1.634 0.648 0.650 0.923 0.615 N 1.270 14 residues pruned to eliminate duplicates Z: 8 10.004 1.719 0.166 0.876 1.000 0.857 CB 1.371 8 residues pruned to eliminate duplicates Z: 8 9.517 1.722 0.274 0.891 1.000 0.857 CB 1.179 16 residues pruned to eliminate duplicates Z: 12 8.100 1.690 0.294 0.855 1.000 0.818 CB 0.825 12 residues pruned to eliminate duplicates Z: 7 8.717 1.584 0.304 0.861 1.000 0.833 O 1.266 7 residues pruned to eliminate duplicates 6 1.958 1.509 0.272 0.291 0.600 0.400 CB 0.961 ? Z: 12 17.871 1.538 0.926 0.894 1.000 0.727 CB 1.305 12 residues pruned to eliminate duplicates Z: 14 3.597 1.496 0.548 0.296 0.615 0.308 CB 0.879 14 residues pruned to eliminate duplicates Z: 9 4.377 1.444 0.405 0.607 1.000 0.750 CB 0.689 9 residues pruned to eliminate duplicates Z: 10 5.794 1.558 0.441 0.445 0.889 0.556 CB 1.024 7 residues pruned to eliminate duplicates Z: 6 5.067 1.576 0.118 0.591 1.000 0.600 N 1.179 6 residues pruned to eliminate duplicates 6 1.511 1.667 0.672 0.100 0.600 0.400 CB 0.674 ? Z: 6 5.491 1.494 0.453 0.825 1.000 0.800 CB 0.854 Z: 19 9.298 1.592 0.220 0.926 1.000 0.889 CB 0.791 19 residues pruned to eliminate duplicates Z: 12 12.947 1.716 0.308 0.922 1.000 1.000 CB 1.223 12 residues pruned to eliminate duplicates Z: 6 2.303 1.215 0.730 0.499 0.800 0.400 N 0.613 Z: 6 3.202 1.363 0.518 0.653 0.600 0.600 CA 1.001 Z: 15 4.176 1.581 0.420 0.428 0.857 0.500 CB 0.625 15 residues pruned to eliminate duplicates Z: 6 3.068 1.607 0.083 0.187 0.800 0.400 N 1.434 Z: 11 5.086 1.617 0.479 0.775 0.900 0.900 CB 0.586 10 residues pruned to eliminate duplicates Z: 6 3.308 1.642 0.799 0.828 1.000 0.800 CB 0.377 5 residues pruned to eliminate duplicates Z: 6 2.630 1.488 0.209 0.354 0.800 0.400 CB 0.957 Z: 19 12.825 1.712 0.502 0.638 0.889 0.611 CB 1.161 13 residues pruned to eliminate duplicates Z: 11 6.188 1.717 0.299 0.890 1.000 0.900 CB 0.632 9 residues pruned to eliminate duplicates Z: 24 6.915 1.621 0.546 0.327 0.783 0.348 CB 0.888 24 residues pruned to eliminate duplicates Z: 7 5.310 1.560 0.370 0.646 0.833 0.833 CB 1.062 Z: 7 2.204 1.550 0.153 0.412 0.667 0.333 CB 0.828 7 residues pruned to eliminate duplicates Z: 6 4.311 1.381 0.338 0.519 1.000 0.600 N 1.025 Z: 12 15.558 1.748 0.692 0.853 0.909 0.727 CB 1.289 12 residues pruned to eliminate duplicates Z: 8 4.509 1.682 0.584 0.783 1.000 0.857 CB 0.499 Z: 16 13.438 1.611 0.515 0.905 1.000 0.867 CB 1.012 18 residues pruned to eliminate duplicates Z: 8 2.869 1.409 0.097 0.352 0.714 0.429 CA 1.153 8 residues pruned to eliminate duplicates Z: 12 14.357 1.714 0.379 0.895 1.000 0.727 CB 1.313 12 residues pruned to eliminate duplicates Z: 6 3.453 1.695 0.316 0.785 1.000 0.800 CB 0.539 6 residues pruned to eliminate duplicates Z: 6 2.818 1.209 0.311 0.778 1.000 0.600 CB 0.622 6 residues pruned to eliminate duplicates 7 1.594 1.204 0.435 0.312 0.667 0.333 N 0.696 ? Z: 14 14.652 1.687 0.478 0.844 1.000 0.846 CB 1.212 14 residues pruned to eliminate duplicates Z: 6 4.558 1.493 0.160 0.671 1.000 0.400 CB 1.006 6 residues pruned to eliminate duplicates Z: 12 9.167 1.541 0.611 0.721 0.909 0.545 CB 1.003 8 residues pruned to eliminate duplicates Z: 11 9.536 1.589 0.600 0.808 1.000 0.800 CB 0.907 11 residues pruned to eliminate duplicates Z: 10 5.704 1.548 0.353 0.658 0.889 0.778 CB 0.882 10 residues pruned to eliminate duplicates Z: 8 3.737 1.886 -0.122 0.804 1.000 0.429 CB 0.654 Z: 6 3.629 1.544 0.501 0.505 0.800 0.600 CB 0.871 Z: 8 3.355 1.502 0.461 0.356 0.714 0.571 CB 0.945 Z: 9 15.463 1.962 0.381 0.861 1.000 0.875 CB 1.483 9 residues pruned to eliminate duplicates Z: 11 16.863 1.754 0.638 0.765 1.000 0.700 N 1.467 11 residues pruned to eliminate duplicates Z: 21 13.651 1.855 0.547 0.574 0.800 0.600 CB 1.237 21 residues pruned to eliminate duplicates Z: 13 9.853 1.669 0.286 0.877 1.000 0.917 CB 0.962 13 residues pruned to eliminate duplicates Z: 7 4.113 1.488 0.804 0.352 0.833 0.333 N 0.881 Z: 8 6.496 1.416 0.735 0.876 0.857 0.857 CB 0.847 4 residues pruned to eliminate duplicates Z: 15 11.354 1.888 0.072 0.873 0.929 0.786 CB 1.176 15 residues pruned to eliminate duplicates Z: 8 2.889 1.466 0.486 0.439 0.714 0.714 CB 0.748 Z: 18 15.088 1.718 0.648 0.875 1.000 0.824 CB 0.940 19 residues pruned to eliminate duplicates Z: 6 3.750 1.528 0.631 0.637 0.800 0.600 CB 0.740 Z: 8 4.380 1.584 -0.115 0.781 0.857 0.857 CB 1.075 7 residues pruned to eliminate duplicates Z: 8 5.348 1.487 0.455 0.899 1.000 0.857 CB 0.668 9 residues pruned to eliminate duplicates Z: 27 11.173 1.711 0.423 0.447 0.808 0.577 CB 1.176 27 residues pruned to eliminate duplicates 7 1.470 1.242 0.606 0.249 0.500 0.333 CB 0.803 ? 6 1.174 1.077 0.305 0.299 0.800 0.600 CB 0.585 ? Z: 12 12.619 1.739 0.378 0.874 0.909 0.818 N 1.270 12 residues pruned to eliminate duplicates Z: 9 5.265 1.480 0.613 0.908 0.875 0.875 CB 0.633 Z: 15 11.322 1.897 0.312 0.727 0.929 0.714 CB 1.067 15 residues pruned to eliminate duplicates Z: 17 9.219 1.603 0.645 0.641 0.812 0.688 CB 0.943 13 residues pruned to eliminate duplicates Z: 12 14.289 1.401 0.990 0.913 1.000 0.909 CB 1.094 12 residues pruned to eliminate duplicates Z: 12 15.423 1.848 0.221 0.900 1.000 1.000 CA 1.473 12 residues pruned to eliminate duplicates 6 0.536 1.456 0.265 0.838 0.800 0.800 CB 0.122 ? Z: 11 6.948 1.708 0.529 0.888 1.000 0.900 CB 0.606 10 residues pruned to eliminate duplicates Z: 21 8.037 1.558 0.388 0.362 0.900 0.650 CB 1.071 21 residues pruned to eliminate duplicates Z: 8 3.025 1.574 0.352 0.541 0.857 0.857 CB 0.602 Z: 7 2.504 1.414 0.278 0.454 0.667 0.500 CB 0.890 Z: 8 2.410 1.230 0.652 0.213 0.714 0.286 CB 0.880 Z: 12 9.569 1.825 0.196 0.825 0.909 0.909 CB 1.098 12 residues pruned to eliminate duplicates Z: 8 2.189 1.281 0.254 0.444 0.571 0.286 N 0.955 8 residues pruned to eliminate duplicates Z: 6 5.040 1.586 0.115 0.730 1.000 0.600 CB 1.036 6 residues pruned to eliminate duplicates Z: 9 4.157 1.446 0.730 0.515 0.875 0.500 CB 0.662 9 residues pruned to eliminate duplicates 8 1.952 1.281 0.392 0.267 0.714 0.429 C 0.756 ? Z: 11 4.674 1.488 0.371 0.350 0.800 0.300 CB 1.065 Z: 14 12.210 1.573 0.506 0.863 1.000 0.769 CB 1.049 13 residues pruned to eliminate duplicates Z: 11 5.179 1.606 0.476 0.892 1.000 0.800 CB 0.496 13 residues pruned to eliminate duplicates Z: 6 2.194 1.476 0.251 0.695 0.800 0.800 CB 0.555 Z: 7 2.981 1.437 0.200 0.625 0.833 0.667 CB 0.753 Z: 6 8.534 1.879 0.824 0.478 1.000 0.400 CB 1.138 6 residues pruned to eliminate duplicates Z: 6 6.196 1.481 0.390 0.583 1.000 0.400 CA 1.242 Z: 10 3.730 1.437 0.571 0.166 0.778 0.444 N 1.064 Z: 7 6.730 1.837 0.549 0.886 1.000 1.000 CB 0.697 10 residues pruned to eliminate duplicates Z: 14 12.438 1.574 0.490 0.892 1.000 0.846 CB 1.056 14 residues pruned to eliminate duplicates Z: 8 3.328 1.253 0.640 0.379 1.000 0.429 CB 0.696 Z: 15 7.091 1.615 0.530 0.307 0.786 0.357 CB 1.210 Z: 17 4.134 1.583 0.070 0.292 0.625 0.250 CB 1.233 17 residues pruned to eliminate duplicates Z: 10 4.025 1.558 0.462 0.326 0.778 0.444 CB 0.917 9 residues pruned to eliminate duplicates Z: 10 9.244 1.661 0.357 0.890 1.000 1.000 CB 0.983 10 residues pruned to eliminate duplicates Z: 12 9.599 1.672 0.611 0.860 0.909 0.636 CB 0.869 12 residues pruned to eliminate duplicates Z: 9 4.385 1.492 0.413 0.530 1.000 0.625 CB 0.714 Z: 13 11.062 1.640 0.475 0.824 0.833 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 9 7.879 1.749 0.519 0.749 0.750 0.750 CB 1.119 9 residues pruned to eliminate duplicates Z: 7 6.915 1.727 0.400 0.591 1.000 0.667 CB 1.071 9 residues pruned to eliminate duplicates Z: 15 16.921 1.714 0.701 0.863 1.000 0.714 N 1.139 15 residues pruned to eliminate duplicates Z: 6 4.901 1.531 0.370 0.786 1.000 1.000 CB 0.813 Z: 11 8.430 1.698 0.225 0.818 0.900 0.800 CB 1.080 11 residues pruned to eliminate duplicates Z: 15 3.380 1.433 0.289 0.216 0.786 0.500 CB 0.869 15 residues pruned to eliminate duplicates Z: 7 2.371 1.621 0.542 0.411 0.833 0.667 CB 0.510 Z: 11 3.476 1.510 0.460 0.294 0.700 0.300 CB 0.897 Z: 6 3.274 1.386 0.256 0.547 1.000 0.600 N 0.804 Z: 14 13.566 1.855 0.616 0.629 0.846 0.615 CB 1.314 14 residues pruned to eliminate duplicates Z: 7 10.802 1.633 0.805 0.693 1.000 0.667 CA 1.254 7 residues pruned to eliminate duplicates Z: 8 5.047 1.499 0.364 0.462 0.857 0.714 CB 1.132 Z: 19 17.527 1.759 0.679 0.731 0.944 0.778 CB 1.203 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds 6 1.857 1.345 0.458 0.241 0.800 0.600 CA 0.715 ? Z: 9 9.234 1.759 0.247 0.811 1.000 0.625 CB 1.135 9 residues pruned to eliminate duplicates Z: 13 11.115 1.643 0.312 0.789 0.917 0.750 CB 1.261 10 residues pruned to eliminate duplicates Z: 12 11.995 1.634 0.492 0.875 0.909 0.818 CB 1.187 12 residues pruned to eliminate duplicates Z: 12 10.078 1.694 0.499 0.782 1.000 0.727 CB 0.933 12 residues pruned to eliminate duplicates Z: 11 11.861 1.569 0.822 0.668 0.900 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 11 7.965 1.785 0.247 0.411 0.900 0.500 CB 1.381 11 residues pruned to eliminate duplicates Z: 15 8.250 1.695 0.229 0.488 0.857 0.429 CB 1.250 15 residues pruned to eliminate duplicates Z: 9 6.821 1.752 0.292 0.723 0.875 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 12 9.543 1.814 0.240 0.537 0.909 0.545 CB 1.356 12 residues pruned to eliminate duplicates Z: 14 4.725 1.654 0.021 0.398 0.846 0.385 CB 1.022 14 residues pruned to eliminate duplicates Z: 15 11.841 1.751 0.500 0.508 0.857 0.357 N 1.394 15 residues pruned to eliminate duplicates Z: 9 6.500 1.519 0.497 0.708 0.750 0.375 CB 1.116 9 residues pruned to eliminate duplicates Z: 14 9.289 1.788 0.234 0.463 0.923 0.385 CB 1.313 14 residues pruned to eliminate duplicates Z: 10 10.637 1.631 0.517 0.843 0.889 0.556 CB 1.201 10 residues pruned to eliminate duplicates Z: 19 10.204 1.839 0.461 0.444 0.833 0.500 CB 1.137 19 residues pruned to eliminate duplicates Z: 14 9.218 1.902 0.413 0.471 0.846 0.462 CB 1.157 14 residues pruned to eliminate duplicates Z: 13 14.160 1.987 0.694 0.616 0.917 0.667 CB 1.188 13 residues pruned to eliminate duplicates Z: 14 12.749 1.973 0.790 0.592 0.846 0.615 CB 1.084 14 residues pruned to eliminate duplicates Z: 19 9.019 1.819 0.545 0.381 0.833 0.556 CB 1.031 19 residues pruned to eliminate duplicates Z: 17 10.209 1.868 0.832 0.469 0.688 0.500 CB 1.120 17 residues pruned to eliminate duplicates Z: 23 14.512 1.844 0.734 0.549 0.864 0.591 CB 1.068 23 residues pruned to eliminate duplicates Z: 13 16.744 1.817 0.453 0.900 1.000 0.917 CB 1.307 12 residues pruned to eliminate duplicates Z: 12 13.821 1.753 0.483 0.783 0.909 0.636 CB 1.375 12 residues pruned to eliminate duplicates Z: 13 13.405 1.761 0.561 0.672 0.917 0.667 CB 1.310 13 residues pruned to eliminate duplicates Z: 10 15.559 1.867 0.487 0.785 1.000 1.000 CB 1.454 10 residues pruned to eliminate duplicates Z: 12 13.433 1.662 0.665 0.779 1.000 0.727 CB 1.145 12 residues pruned to eliminate duplicates Z: 13 11.068 1.665 0.770 0.507 0.833 0.333 CB 1.291 13 residues pruned to eliminate duplicates Z: 11 14.463 1.814 0.670 0.800 1.000 0.700 CB 1.161 11 residues pruned to eliminate duplicates Z: 9 17.060 1.887 0.795 0.851 0.875 0.625 N 1.507 9 residues pruned to eliminate duplicates Z: 9 12.306 1.890 0.710 0.747 0.875 0.625 CB 1.233 9 residues pruned to eliminate duplicates Z: 14 13.951 1.806 0.524 0.822 0.923 0.615 CB 1.152 14 residues pruned to eliminate duplicates Z: 12 15.028 1.841 0.526 0.809 0.909 0.545 CB 1.355 13 residues pruned to eliminate duplicates Z: 12 16.425 1.828 0.671 0.874 1.000 0.727 CB 1.180 12 residues pruned to eliminate duplicates Z: 8 5.684 1.551 0.441 0.542 1.000 0.857 CB 0.922 8 residues pruned to eliminate duplicates Z: 15 17.273 1.763 0.472 0.875 1.000 0.857 CB 1.294 15 residues pruned to eliminate duplicates Z: 14 17.308 1.762 0.588 0.826 1.000 0.692 CB 1.293 14 residues pruned to eliminate duplicates Z: 16 15.533 1.777 0.462 0.775 0.933 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 16 15.066 1.751 0.511 0.771 0.867 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 15 17.466 1.782 0.528 0.858 0.929 0.643 N 1.360 15 residues pruned to eliminate duplicates Z: 17 14.235 1.714 0.435 0.756 0.938 0.688 CB 1.229 17 residues pruned to eliminate duplicates Z: 17 9.333 1.641 0.437 0.653 0.750 0.438 CB 1.144 17 residues pruned to eliminate duplicates Z: 14 15.250 1.698 0.558 0.824 0.923 0.538 CB 1.308 14 residues pruned to eliminate duplicates Z: 15 12.085 1.754 0.426 0.875 0.929 0.643 CB 1.012 15 residues pruned to eliminate duplicates Z: 15 13.803 1.753 0.586 0.857 0.857 0.643 CB 1.141 15 residues pruned to eliminate duplicates Z: 20 12.451 1.651 0.567 0.712 0.842 0.579 CB 1.082 20 residues pruned to eliminate duplicates Z: 20 16.264 1.684 0.661 0.859 1.000 0.684 CB 0.982 20 residues pruned to eliminate duplicates Z: 17 14.963 1.707 0.626 0.849 0.938 0.750 CB 1.065 17 residues pruned to eliminate duplicates Z: 18 16.475 1.665 0.602 0.908 1.000 0.941 CB 1.064 18 residues pruned to eliminate duplicates Z: 19 17.150 1.718 0.561 0.925 0.944 0.889 CB 1.120 19 residues pruned to eliminate duplicates Z: 6 5.747 1.596 0.292 0.858 1.000 1.000 CB 0.918 6 residues pruned to eliminate duplicates Z: 21 14.722 1.646 0.616 0.908 0.900 0.600 CB 0.977 21 residues pruned to eliminate duplicates Z: 21 16.108 1.709 0.508 0.828 0.950 0.800 CB 1.108 21 residues pruned to eliminate duplicates Z: 9 16.358 2.022 0.382 0.855 1.000 0.625 CB 1.526 9 residues pruned to eliminate duplicates Z: 17 8.693 1.832 0.209 0.633 1.000 0.875 CB 0.866 12 residues pruned to eliminate duplicates Z: 12 14.041 1.816 0.216 0.896 1.000 0.909 CB 1.373 12 residues pruned to eliminate duplicates Z: 11 9.412 1.880 0.251 0.607 0.900 0.700 CB 1.270 11 residues pruned to eliminate duplicates Z: 18 10.413 1.822 0.465 0.572 0.941 0.706 CB 0.938 18 residues pruned to eliminate duplicates Z: 13 16.147 1.736 0.431 0.852 1.000 0.917 CB 1.388 18 residues pruned to eliminate duplicates Z: 11 16.835 1.822 0.591 0.869 1.000 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 11 16.486 1.806 0.532 0.884 1.000 0.900 CB 1.361 11 residues pruned to eliminate duplicates Z: 16 16.887 1.905 0.732 0.690 0.933 0.733 CB 1.190 12 residues pruned to eliminate duplicates Z: 11 18.983 1.941 0.543 0.871 1.000 1.000 CB 1.462 11 residues pruned to eliminate duplicates Z: 18 13.711 1.843 0.468 0.651 0.941 0.706 CB 1.135 18 residues pruned to eliminate duplicates Z: 7 4.234 1.583 0.339 0.463 0.833 0.667 CB 1.016 5 residues pruned to eliminate duplicates Z: 8 3.092 1.207 0.445 0.440 1.000 0.714 N 0.712 Z: 11 13.825 1.868 0.519 0.659 0.900 0.700 N 1.477 11 residues pruned to eliminate duplicates Z: 14 12.554 1.814 0.425 0.590 0.846 0.692 CB 1.460 14 residues pruned to eliminate duplicates Z: 11 14.255 2.034 0.343 0.678 0.900 0.700 CB 1.556 11 residues pruned to eliminate duplicates Z: 7 9.663 1.900 0.237 0.615 1.000 0.667 CB 1.505 7 residues pruned to eliminate duplicates Z: 24 10.503 1.660 0.657 0.507 0.826 0.348 CB 0.957 24 residues pruned to eliminate duplicates Z: 15 7.797 1.803 0.436 0.587 0.786 0.714 CB 0.943 15 residues pruned to eliminate duplicates Z: 13 12.794 1.834 0.631 0.623 0.917 0.500 CB 1.200 13 residues pruned to eliminate duplicates Z: 22 10.494 1.806 0.629 0.375 0.810 0.667 CB 1.099 22 residues pruned to eliminate duplicates Z: 14 17.030 1.895 0.718 0.631 0.846 0.462 CB 1.516 14 residues pruned to eliminate duplicates Z: 6 5.029 1.378 0.962 0.324 1.000 0.600 CA 1.010 Z: 6 4.895 1.306 0.730 0.456 1.000 0.600 N 1.014 Z: 8 4.704 1.247 0.151 0.864 1.000 0.571 O 0.909 8 residues pruned to eliminate duplicates Z: 9 4.835 1.320 0.472 0.577 0.750 0.375 CB 1.089 8 residues pruned to eliminate duplicates Z: 6 5.372 1.306 0.354 0.860 1.000 0.600 CB 0.999 6 residues pruned to eliminate duplicates Z: 11 10.293 1.554 0.571 0.749 1.000 0.800 CB 1.068 11 residues pruned to eliminate duplicates Z: 16 11.006 1.653 0.553 0.654 0.933 0.400 CB 1.028 18 residues pruned to eliminate duplicates Z: 12 9.494 1.558 0.643 0.844 0.909 0.545 CB 0.915 12 residues pruned to eliminate duplicates Z: 17 9.023 1.566 0.395 0.604 0.875 0.500 CB 1.069 17 residues pruned to eliminate duplicates Z: 8 8.185 1.612 0.757 0.698 0.714 0.429 CB 1.276 8 residues pruned to eliminate duplicates Z: 7 8.154 1.639 0.715 0.623 0.833 0.667 CB 1.266 7 residues pruned to eliminate duplicates Z: 16 10.590 1.683 0.589 0.517 0.733 0.400 CB 1.371 16 residues pruned to eliminate duplicates Z: 13 7.706 1.597 0.395 0.566 0.833 0.417 CB 1.125 13 residues pruned to eliminate duplicates Z: 15 7.914 1.627 0.547 0.502 0.714 0.500 CB 1.174 15 residues pruned to eliminate duplicates Z: 13 11.975 1.713 0.356 0.635 1.000 0.583 CB 1.311 13 residues pruned to eliminate duplicates Z: 14 11.385 1.743 0.363 0.635 1.000 0.462 CB 1.171 14 residues pruned to eliminate duplicates Z: 15 10.346 1.659 0.344 0.631 1.000 0.429 CB 1.097 15 residues pruned to eliminate duplicates Z: 12 11.795 1.697 0.738 0.577 0.909 0.545 CB 1.231 12 residues pruned to eliminate duplicates Z: 12 4.717 1.649 0.335 0.453 0.636 0.364 CB 1.066 12 residues pruned to eliminate duplicates Z: 8 7.571 1.807 0.263 0.494 1.000 0.429 CB 1.261 8 residues pruned to eliminate duplicates Z: 8 6.806 1.763 0.212 0.412 1.000 0.571 CB 1.320 8 residues pruned to eliminate duplicates Z: 15 5.408 1.560 0.399 0.405 0.643 0.214 N 1.139 15 residues pruned to eliminate duplicates Z: 12 6.141 1.708 0.325 0.571 0.636 0.273 CB 1.200 12 residues pruned to eliminate duplicates Z: 17 4.804 1.360 0.511 0.265 0.688 0.250 CB 1.111 17 residues pruned to eliminate duplicates Z: 12 5.966 1.700 0.341 0.524 0.727 0.455 CB 1.059 12 residues pruned to eliminate duplicates Z: 17 7.077 1.616 0.299 0.454 0.750 0.438 CB 1.178 17 residues pruned to eliminate duplicates Z: 12 20.983 1.955 0.648 0.829 1.000 0.727 CB 1.478 12 residues pruned to eliminate duplicates Z: 7 23.090 2.082 0.910 0.903 1.000 1.000 CB 1.689 7 residues pruned to eliminate duplicates Z: 12 14.871 1.752 0.570 0.773 0.909 0.545 CB 1.409 12 residues pruned to eliminate duplicates Z: 12 19.692 1.924 0.464 0.813 1.000 0.727 N 1.606 12 residues pruned to eliminate duplicates Z: 21 14.755 1.733 0.714 0.586 0.750 0.550 CB 1.364 21 residues pruned to eliminate duplicates Z: 13 19.334 1.903 0.654 0.749 0.917 0.750 CB 1.549 13 residues pruned to eliminate duplicates Z: 14 23.783 1.827 0.804 0.831 1.000 0.615 N 1.503 12 residues pruned to eliminate duplicates Z: 12 20.673 1.864 0.552 0.925 1.000 1.000 CB 1.512 12 residues pruned to eliminate duplicates Z: 13 22.254 1.861 0.713 0.801 1.000 0.750 CB 1.549 13 residues pruned to eliminate duplicates Z: 13 21.141 1.868 0.758 0.841 0.917 0.750 N 1.511 15 residues pruned to eliminate duplicates Z: 11 10.080 1.642 0.358 0.853 0.900 0.500 CB 1.174 11 residues pruned to eliminate duplicates Z: 11 11.237 1.708 0.426 0.723 0.900 0.500 CB 1.325 11 residues pruned to eliminate duplicates Z: 12 10.923 1.601 0.440 0.757 0.909 0.636 N 1.250 11 residues pruned to eliminate duplicates Z: 12 9.686 1.608 0.399 0.824 0.909 0.545 N 1.078 12 residues pruned to eliminate duplicates Z: 13 7.584 1.608 0.295 0.651 0.917 0.583 CB 0.996 10 residues pruned to eliminate duplicates Z: 12 9.699 1.655 0.493 0.837 0.818 0.545 N 1.082 12 residues pruned to eliminate duplicates Z: 9 11.601 1.882 0.457 0.873 0.875 0.750 CB 1.245 9 residues pruned to eliminate duplicates Z: 12 11.116 1.711 0.428 0.765 0.909 0.455 CB 1.192 12 residues pruned to eliminate duplicates Z: 12 9.925 1.637 0.463 0.784 0.909 0.273 N 1.070 16 residues pruned to eliminate duplicates Z: 12 10.153 1.678 0.546 0.761 0.818 0.545 N 1.143 12 residues pruned to eliminate duplicates Z: 15 13.892 1.642 0.450 0.899 1.000 0.857 CB 1.114 15 residues pruned to eliminate duplicates Z: 15 11.028 1.575 0.531 0.871 0.857 0.786 CB 1.040 15 residues pruned to eliminate duplicates Z: 9 9.548 1.628 0.905 0.825 0.875 0.625 CB 0.939 9 residues pruned to eliminate duplicates Z: 10 11.404 1.726 0.434 0.745 1.000 0.667 CB 1.233 10 residues pruned to eliminate duplicates Z: 10 11.298 1.693 0.507 0.865 1.000 0.778 CB 1.081 10 residues pruned to eliminate duplicates Z: 8 5.961 1.588 0.395 0.627 1.000 0.714 CB 0.902 8 residues pruned to eliminate duplicates Z: 13 12.632 1.660 0.561 0.897 1.000 0.833 CB 1.008 13 residues pruned to eliminate duplicates Z: 14 12.774 1.607 0.724 0.882 0.923 0.692 CB 1.003 14 residues pruned to eliminate duplicates Z: 13 13.426 1.643 0.710 0.864 1.000 0.750 CB 1.011 13 residues pruned to eliminate duplicates Z: 12 13.286 1.631 0.728 0.883 1.000 0.727 CB 1.028 12 residues pruned to eliminate duplicates Z: 12 11.942 1.594 0.678 0.900 0.909 0.818 CB 1.057 12 residues pruned to eliminate duplicates Z: 12 12.122 1.631 0.608 0.886 1.000 0.727 CB 1.006 12 residues pruned to eliminate duplicates Z: 11 10.833 1.642 0.888 0.824 0.900 0.900 CB 0.928 11 residues pruned to eliminate duplicates Z: 9 13.096 1.965 0.464 0.676 1.000 0.750 CB 1.368 9 residues pruned to eliminate duplicates Z: 10 14.356 1.899 0.606 0.591 1.000 0.778 CB 1.439 10 residues pruned to eliminate duplicates Z: 10 10.269 1.837 0.350 0.612 1.000 0.778 CB 1.241 10 residues pruned to eliminate duplicates Z: 15 10.146 1.807 0.385 0.551 0.929 0.786 CB 1.110 15 residues pruned to eliminate duplicates Z: 9 13.792 1.899 0.526 0.683 1.000 0.875 CB 1.422 9 residues pruned to eliminate duplicates Z: 15 18.370 1.933 0.516 0.927 1.000 1.000 CB 1.174 15 residues pruned to eliminate duplicates Z: 17 22.754 1.873 0.575 0.855 1.000 0.562 CB 1.423 17 residues pruned to eliminate duplicates Z: 16 20.129 1.813 0.765 0.905 1.000 0.600 CB 1.156 16 residues pruned to eliminate duplicates Z: 17 20.866 1.866 0.740 0.845 0.938 0.625 CB 1.274 18 residues pruned to eliminate duplicates Z: 15 21.412 1.937 0.640 0.898 1.000 0.786 CB 1.289 15 residues pruned to eliminate duplicates Z: 14 22.140 1.951 0.750 0.884 1.000 0.769 CB 1.300 14 residues pruned to eliminate duplicates Z: 18 12.808 1.768 0.478 0.737 0.824 0.412 CB 1.167 18 residues pruned to eliminate duplicates Z: 16 18.036 1.898 0.597 0.804 0.867 0.467 CB 1.359 16 residues pruned to eliminate duplicates Z: 17 21.526 1.867 0.678 0.842 1.000 0.688 CB 1.280 17 residues pruned to eliminate duplicates Z: 18 20.218 1.788 0.580 0.858 1.000 0.824 CB 1.278 18 residues pruned to eliminate duplicates Z: 13 5.932 1.482 0.721 0.326 0.833 0.250 CB 0.976 8 residues pruned to eliminate duplicates Z: 6 7.232 1.646 0.567 0.802 1.000 0.800 CA 0.963 12 residues pruned to eliminate duplicates Z: 8 6.175 1.480 0.164 0.850 1.000 0.857 CA 1.004 8 residues pruned to eliminate duplicates Z: 11 4.689 1.475 0.583 0.293 0.700 0.500 CA 1.144 Z: 6 2.331 1.259 0.572 0.147 1.000 0.400 N 0.814 6 residues pruned to eliminate duplicates Z: 10 4.510 1.593 0.436 0.199 0.778 0.444 CB 1.209 9 residues pruned to eliminate duplicates Z: 11 16.218 1.870 0.805 0.781 0.900 0.800 CA 1.318 11 residues pruned to eliminate duplicates Z: 20 12.841 1.731 0.649 0.623 0.842 0.737 CB 1.092 20 residues pruned to eliminate duplicates Z: 17 13.538 1.789 0.671 0.674 0.875 0.750 CB 1.102 17 residues pruned to eliminate duplicates Z: 15 15.733 1.871 0.605 0.691 0.929 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 13 12.767 1.785 0.589 0.627 0.833 0.750 N 1.384 13 residues pruned to eliminate duplicates Z: 16 13.979 1.758 0.792 0.573 0.867 0.733 N 1.232 16 residues pruned to eliminate duplicates Z: 7 17.712 2.056 1.016 0.820 0.833 0.667 N 1.586 7 residues pruned to eliminate duplicates Z: 14 11.196 1.716 0.813 0.601 0.769 0.615 CB 1.178 14 residues pruned to eliminate duplicates Z: 13 12.889 1.826 0.592 0.593 0.833 0.750 N 1.405 13 residues pruned to eliminate duplicates Z: 17 11.548 1.636 0.645 0.543 0.938 0.625 CB 1.098 17 residues pruned to eliminate duplicates Z: 14 12.992 1.750 0.671 0.553 0.846 0.692 CB 1.383 14 residues pruned to eliminate duplicates Z: 17 12.122 1.637 0.926 0.573 0.812 0.500 N 1.102 17 residues pruned to eliminate duplicates Z: 7 5.535 1.472 0.672 0.509 1.000 0.833 CB 0.909 Z: 25 12.619 1.573 0.282 0.898 1.000 0.833 CB 0.914 25 residues pruned to eliminate duplicates Z: 19 12.329 1.682 0.257 0.910 1.000 0.889 CB 0.975 19 residues pruned to eliminate duplicates Z: 9 7.297 1.464 0.691 0.601 1.000 0.500 CB 0.947 9 residues pruned to eliminate duplicates Z: 19 15.268 1.708 0.677 0.897 0.944 0.889 CB 0.953 19 residues pruned to eliminate duplicates Z: 19 14.308 1.709 0.658 0.883 0.944 0.778 CB 0.911 19 residues pruned to eliminate duplicates Z: 12 8.398 1.678 0.648 0.870 0.909 0.818 CB 0.735 12 residues pruned to eliminate duplicates Z: 18 13.121 1.747 0.748 0.742 0.882 0.824 CB 0.951 18 residues pruned to eliminate duplicates Z: 17 16.564 1.800 0.848 0.866 1.000 0.875 CB 0.911 17 residues pruned to eliminate duplicates Z: 12 10.771 1.859 0.733 0.815 1.000 0.909 CB 0.767 12 residues pruned to eliminate duplicates Z: 12 12.238 1.845 0.971 0.762 1.000 0.636 CB 0.804 12 residues pruned to eliminate duplicates Z: 13 10.784 1.776 0.747 0.802 1.000 0.833 CB 0.770 13 residues pruned to eliminate duplicates Z: 17 11.153 1.751 0.675 0.735 0.938 0.812 CB 0.821 17 residues pruned to eliminate duplicates Z: 20 16.003 1.730 0.870 0.926 1.000 0.789 CB 0.796 20 residues pruned to eliminate duplicates Z: 19 14.931 1.682 0.997 0.775 0.944 0.556 CB 0.870 19 residues pruned to eliminate duplicates Z: 19 13.510 1.784 0.676 0.788 1.000 0.833 CB 0.827 19 residues pruned to eliminate duplicates Z: 17 10.765 1.733 0.787 0.656 0.875 0.688 CB 0.859 17 residues pruned to eliminate duplicates Z: 21 13.987 1.697 0.726 0.739 0.850 0.650 CB 1.014 18 residues pruned to eliminate duplicates Z: 18 13.287 1.713 0.697 0.849 1.000 0.706 CB 0.822 18 residues pruned to eliminate duplicates Z: 12 6.854 1.471 0.543 0.659 0.909 0.636 CB 0.864 12 residues pruned to eliminate duplicates Z: 18 11.640 1.604 0.742 0.627 0.824 0.353 CB 1.089 17 residues pruned to eliminate duplicates Z: 19 16.606 1.669 0.790 0.849 1.000 0.722 CB 0.971 19 residues pruned to eliminate duplicates Z: 10 6.574 1.618 0.446 0.440 1.000 0.667 CB 0.997 9 residues pruned to eliminate duplicates Z: 6 4.467 1.475 0.538 0.482 1.000 0.800 CB 0.897 6 residues pruned to eliminate duplicates Z: 10 6.513 1.532 0.372 0.492 0.889 0.333 CB 1.172 8 residues pruned to eliminate duplicates Z: 11 9.396 1.469 0.608 0.806 0.900 0.700 N 1.070 Z: 7 8.620 1.660 0.475 0.824 1.000 0.833 CB 1.085 7 residues pruned to eliminate duplicates Z: 12 5.585 1.525 0.315 0.564 0.818 0.364 CA 0.964 11 residues pruned to eliminate duplicates Z: 9 7.261 1.622 0.414 0.831 0.750 0.625 N 1.121 9 residues pruned to eliminate duplicates Z: 14 7.511 1.565 0.758 0.619 0.846 0.615 CB 0.800 13 residues pruned to eliminate duplicates Z: 10 9.003 1.463 0.730 0.815 0.889 0.667 CB 1.014 11 residues pruned to eliminate duplicates Z: 10 7.040 1.486 0.458 0.860 0.889 0.778 N 0.896 10 residues pruned to eliminate duplicates Z: 18 14.011 1.711 0.698 0.605 0.941 0.588 CB 1.126 18 residues pruned to eliminate duplicates Z: 10 8.723 1.548 0.551 0.810 0.889 0.556 N 1.040 10 residues pruned to eliminate duplicates Z: 22 13.895 1.658 0.684 0.491 0.905 0.714 N 1.212 21 residues pruned to eliminate duplicates Z: 8 4.951 1.483 0.983 0.255 0.714 0.429 CB 1.180 8 residues pruned to eliminate duplicates Z: 13 7.567 1.681 0.605 0.390 0.750 0.417 N 1.212 13 residues pruned to eliminate duplicates Z: 10 8.784 1.642 0.719 0.425 0.889 0.444 N 1.262 10 residues pruned to eliminate duplicates Z: 20 12.072 1.608 0.618 0.585 0.947 0.684 CB 1.036 20 residues pruned to eliminate duplicates Z: 19 10.926 1.612 0.711 0.553 0.889 0.611 CB 0.998 21 residues pruned to eliminate duplicates Z: 10 11.294 1.725 0.447 0.725 0.889 0.444 CB 1.384 11 residues pruned to eliminate duplicates Z: 10 11.128 1.734 0.106 0.850 1.000 0.778 CA 1.433 10 residues pruned to eliminate duplicates Z: 18 15.793 1.764 0.505 0.583 0.941 0.471 N 1.415 10 residues pruned to eliminate duplicates Z: 12 15.362 1.705 0.592 0.825 0.909 0.727 N 1.417 12 residues pruned to eliminate duplicates Z: 14 14.160 1.700 0.965 0.471 0.846 0.385 N 1.431 14 residues pruned to eliminate duplicates Z: 21 14.365 1.785 0.472 0.540 0.950 0.550 CB 1.237 21 residues pruned to eliminate duplicates Z: 15 11.777 1.697 0.620 0.617 0.929 0.714 CB 1.104 15 residues pruned to eliminate duplicates Z: 23 15.289 1.763 0.414 0.607 0.955 0.682 CB 1.237 23 residues pruned to eliminate duplicates Z: 8 2.307 1.608 0.373 0.196 0.714 0.429 CB 0.795 7 residues pruned to eliminate duplicates Z: 15 11.701 1.690 0.522 0.612 0.857 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 18 6.986 1.595 0.520 0.387 0.765 0.706 CB 1.030 18 residues pruned to eliminate duplicates 6 1.846 1.743 0.827 0.324 1.000 0.800 CB 0.315 ? Z: 18 9.855 1.729 0.526 0.328 0.882 0.471 CB 1.240 18 residues pruned to eliminate duplicates Z: 7 2.809 1.258 0.507 0.569 0.833 0.500 N 0.680 Z: 8 7.056 1.278 0.642 0.880 0.857 0.429 N 1.075 5 residues pruned to eliminate duplicates Z: 7 5.550 1.332 0.610 0.866 0.833 0.333 O 0.928 7 residues pruned to eliminate duplicates Z: 14 3.590 1.344 0.543 0.368 0.615 0.231 CB 0.899 12 residues pruned to eliminate duplicates Z: 8 4.484 1.258 0.617 0.631 0.857 0.286 CB 0.860 9 residues pruned to eliminate duplicates Z: 8 8.230 1.231 1.018 0.841 1.000 0.857 CB 0.934 7 residues pruned to eliminate duplicates Z: 8 4.832 1.205 0.882 0.752 0.857 0.857 CA 0.751 8 residues pruned to eliminate duplicates Z: 12 3.002 1.511 0.162 0.464 0.636 0.364 N 0.840 12 residues pruned to eliminate duplicates Z: 8 7.866 1.696 0.566 0.519 0.857 0.571 N 1.282 8 residues pruned to eliminate duplicates Z: 16 17.146 1.782 0.703 0.713 0.933 0.800 CB 1.288 18 residues pruned to eliminate duplicates Z: 13 16.452 1.669 0.633 0.900 1.000 0.833 CB 1.245 13 residues pruned to eliminate duplicates Z: 18 15.254 1.777 0.624 0.685 1.000 0.765 CB 1.082 19 residues pruned to eliminate duplicates Z: 14 15.916 1.725 0.544 0.895 1.000 0.846 CB 1.188 14 residues pruned to eliminate duplicates Z: 17 13.902 1.803 0.529 0.745 0.875 0.875 CB 1.157 17 residues pruned to eliminate duplicates Z: 10 7.742 1.660 0.486 0.646 0.889 0.667 CB 1.027 10 residues pruned to eliminate duplicates Z: 28 16.415 1.768 0.693 0.645 0.889 0.519 CB 1.037 42 residues pruned to eliminate duplicates Z: 12 13.732 1.789 0.361 0.858 1.000 0.818 CB 1.253 12 residues pruned to eliminate duplicates Z: 17 9.990 1.804 0.277 0.696 0.875 0.625 CB 1.036 17 residues pruned to eliminate duplicates Z: 18 7.992 1.753 0.431 0.559 0.882 0.471 CB 0.827 18 residues pruned to eliminate duplicates Z: 20 11.441 1.708 0.503 0.604 0.947 0.579 CB 0.978 20 residues pruned to eliminate duplicates Z: 13 6.107 1.660 0.450 0.456 0.833 0.583 CB 0.919 13 residues pruned to eliminate duplicates Z: 7 3.715 1.549 -0.015 0.507 1.000 0.667 CB 0.987 7 residues pruned to eliminate duplicates Z: 8 5.157 1.676 0.444 0.562 1.000 0.571 CB 0.759 8 residues pruned to eliminate duplicates Z: 20 12.380 1.732 0.546 0.671 0.947 0.737 CB 0.956 20 residues pruned to eliminate duplicates Z: 9 4.219 1.706 0.238 0.486 1.000 0.625 CB 0.716 9 residues pruned to eliminate duplicates Z: 21 11.257 1.775 0.435 0.643 0.850 0.650 CB 1.017 21 residues pruned to eliminate duplicates Z: 9 19.315 2.128 0.729 0.823 1.000 0.750 CB 1.403 9 residues pruned to eliminate duplicates Z: 13 18.666 1.838 1.040 0.716 0.917 0.667 CB 1.290 14 residues pruned to eliminate duplicates Z: 12 20.837 1.919 0.933 0.788 1.000 0.727 CB 1.315 12 residues pruned to eliminate duplicates Z: 12 17.977 1.903 1.179 0.779 0.818 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 11 20.743 1.901 0.880 0.868 1.000 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 12 18.233 1.947 0.841 0.811 1.000 0.727 CB 1.169 12 residues pruned to eliminate duplicates Z: 13 22.253 1.948 0.802 0.855 1.000 0.833 CB 1.350 12 residues pruned to eliminate duplicates Z: 12 22.407 1.921 1.016 0.822 1.000 0.636 CB 1.319 12 residues pruned to eliminate duplicates Z: 20 13.204 1.881 0.769 0.597 0.842 0.526 CB 0.986 14 residues pruned to eliminate duplicates Z: 14 14.144 1.928 1.001 0.745 0.769 0.538 CB 1.061 14 residues pruned to eliminate duplicates Z: 21 18.771 1.967 0.972 0.592 0.900 0.550 CB 1.101 47 residues pruned to eliminate duplicates Z: 11 10.301 1.765 0.207 0.864 1.000 1.000 CB 1.121 11 residues pruned to eliminate duplicates Z: 15 10.042 1.634 0.277 0.692 0.929 0.500 CB 1.162 15 residues pruned to eliminate duplicates Z: 15 11.076 1.638 0.586 0.692 0.857 0.500 CB 1.116 15 residues pruned to eliminate duplicates Z: 10 9.661 1.793 0.403 0.841 0.889 0.667 CB 1.074 10 residues pruned to eliminate duplicates Z: 11 6.972 1.652 0.368 0.622 0.900 0.500 CB 0.967 11 residues pruned to eliminate duplicates Z: 14 9.708 1.612 0.584 0.655 0.923 0.615 CB 0.989 14 residues pruned to eliminate duplicates Z: 17 12.648 1.629 0.843 0.628 0.938 0.562 CB 0.996 15 residues pruned to eliminate duplicates Z: 13 15.040 1.667 0.751 0.839 1.000 0.750 CB 1.111 13 residues pruned to eliminate duplicates Z: 11 14.133 1.692 0.707 0.871 1.000 0.500 CB 1.129 11 residues pruned to eliminate duplicates Z: 14 17.033 1.700 0.792 0.803 1.000 0.692 CB 1.191 15 residues pruned to eliminate duplicates Z: 11 14.110 1.761 0.600 0.900 1.000 1.000 CB 1.131 11 residues pruned to eliminate duplicates Z: 9 9.615 1.523 0.408 0.763 1.000 0.750 CB 1.256 9 residues pruned to eliminate duplicates Z: 7 11.198 1.679 0.578 0.740 1.000 0.833 O 1.392 7 residues pruned to eliminate duplicates Z: 6 9.815 1.730 0.300 0.867 1.000 1.000 O 1.428 6 residues pruned to eliminate duplicates Z: 7 11.158 1.694 0.386 0.838 1.000 0.833 O 1.450 7 residues pruned to eliminate duplicates Z: 8 11.685 1.676 0.345 0.843 1.000 0.857 CB 1.458 8 residues pruned to eliminate duplicates Z: 8 8.135 1.501 0.280 0.817 1.000 1.000 CB 1.215 8 residues pruned to eliminate duplicates Z: 13 10.644 1.550 0.392 0.690 1.000 0.667 CB 1.197 16 residues pruned to eliminate duplicates Z: 11 9.745 1.630 0.287 0.859 0.900 0.800 CB 1.201 11 residues pruned to eliminate duplicates Z: 9 6.196 1.448 0.224 0.593 0.875 0.500 CB 1.293 9 residues pruned to eliminate duplicates Z: 11 10.990 1.559 0.453 0.889 1.000 1.000 CB 1.104 11 residues pruned to eliminate duplicates Z: 16 8.259 1.522 0.428 0.541 0.800 0.533 N 1.178 15 residues pruned to eliminate duplicates Z: 11 9.157 1.655 0.546 0.801 0.800 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 8 8.313 1.599 0.596 0.770 1.000 1.000 CB 0.970 8 residues pruned to eliminate duplicates Z: 12 8.466 1.588 0.422 0.774 0.909 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 12 9.802 1.581 0.573 0.664 0.909 0.545 CB 1.123 12 residues pruned to eliminate duplicates Z: 9 6.184 1.418 0.625 0.537 0.875 0.375 O 1.046 8 residues pruned to eliminate duplicates Z: 9 8.270 1.382 0.616 0.796 1.000 0.750 O 1.010 7 residues pruned to eliminate duplicates Z: 15 11.361 1.448 0.621 0.896 0.929 0.857 CB 0.998 17 residues pruned to eliminate duplicates Z: 13 9.877 1.359 0.800 0.855 0.833 0.417 CB 1.032 13 residues pruned to eliminate duplicates Z: 14 7.806 1.761 0.538 0.331 0.846 0.385 N 1.136 14 residues pruned to eliminate duplicates Z: 12 8.656 1.752 0.501 0.402 0.909 0.364 CB 1.210 12 residues pruned to eliminate duplicates Z: 13 6.673 1.722 0.474 0.385 0.833 0.417 CB 1.029 13 residues pruned to eliminate duplicates Z: 21 8.798 1.666 0.647 0.334 0.850 0.350 CB 1.011 21 residues pruned to eliminate duplicates Z: 27 16.789 1.831 0.663 0.538 0.885 0.500 CB 1.177 27 residues pruned to eliminate duplicates Z: 21 11.662 1.807 0.370 0.482 0.900 0.500 CB 1.192 21 residues pruned to eliminate duplicates Z: 27 19.052 1.804 0.639 0.563 1.000 0.538 CB 1.189 45 residues pruned to eliminate duplicates Z: 9 17.119 2.014 0.498 0.878 1.000 1.000 CB 1.456 9 residues pruned to eliminate duplicates Z: 26 16.814 1.868 0.529 0.508 0.920 0.560 CB 1.270 26 residues pruned to eliminate duplicates Z: 28 15.109 1.813 0.668 0.525 0.889 0.519 CB 1.056 28 residues pruned to eliminate duplicates Z: 22 14.514 1.862 0.713 0.576 0.810 0.571 CB 1.140 22 residues pruned to eliminate duplicates Z: 34 14.825 1.708 0.582 0.463 0.879 0.515 CB 1.129 34 residues pruned to eliminate duplicates Z: 23 13.644 1.855 0.541 0.563 0.864 0.591 CB 1.109 23 residues pruned to eliminate duplicates Z: 10 10.279 1.816 0.668 0.571 1.000 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 21 12.943 1.807 0.608 0.514 0.900 0.650 CB 1.092 21 residues pruned to eliminate duplicates Z: 11 7.989 1.783 0.721 0.485 0.800 0.600 CB 1.044 11 residues pruned to eliminate duplicates Z: 29 16.740 1.759 0.617 0.502 0.964 0.500 CB 1.152 29 residues pruned to eliminate duplicates Z: 7 5.714 1.638 0.258 0.594 1.000 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 27 12.424 1.746 0.559 0.433 0.885 0.577 CB 1.084 27 residues pruned to eliminate duplicates Z: 41 22.290 1.854 0.615 0.550 0.950 0.650 CB 1.179 40 residues pruned to eliminate duplicates Z: 6 2.574 1.812 0.034 0.279 0.800 0.200 CB 0.985 6 residues pruned to eliminate duplicates Z: 12 7.022 1.783 0.279 0.402 0.818 0.545 CB 1.259 12 residues pruned to eliminate duplicates Z: 19 13.717 1.800 0.467 0.587 0.889 0.667 CB 1.268 20 residues pruned to eliminate duplicates Z: 10 20.251 1.926 0.629 0.904 1.000 0.889 CB 1.533 11 residues pruned to eliminate duplicates Z: 12 17.453 1.832 0.565 0.903 1.000 1.000 CB 1.309 11 residues pruned to eliminate duplicates Z: 13 21.531 1.821 0.722 0.876 1.000 0.833 CB 1.441 13 residues pruned to eliminate duplicates Z: 12 19.813 1.864 0.658 0.891 1.000 0.818 CB 1.390 12 residues pruned to eliminate duplicates Z: 17 15.667 1.851 0.550 0.643 0.875 0.562 CB 1.366 17 residues pruned to eliminate duplicates Z: 13 8.933 1.807 0.565 0.579 0.917 0.417 CB 0.922 20 residues pruned to eliminate duplicates Z: 8 12.169 1.721 0.335 0.808 1.000 0.714 O 1.530 8 residues pruned to eliminate duplicates Z: 10 10.308 1.793 0.422 0.723 0.889 0.556 CB 1.239 10 residues pruned to eliminate duplicates Z: 11 11.741 1.835 0.696 0.577 0.800 0.400 CB 1.385 11 residues pruned to eliminate duplicates Z: 11 11.374 1.730 0.595 0.614 0.900 0.300 CB 1.300 11 residues pruned to eliminate duplicates Z: 12 10.034 1.881 0.547 0.651 0.636 0.455 CB 1.419 12 residues pruned to eliminate duplicates Z: 12 14.281 1.880 0.536 0.653 0.909 0.455 N 1.423 12 residues pruned to eliminate duplicates Z: 20 6.749 1.594 0.220 0.434 0.684 0.421 CB 1.245 37 residues pruned to eliminate duplicates Z: 6 5.935 1.637 0.160 0.839 1.000 0.800 CB 1.044 6 residues pruned to eliminate duplicates Z: 19 5.153 1.479 0.079 0.442 0.833 0.556 CB 0.969 19 residues pruned to eliminate duplicates Z: 10 7.635 1.630 0.086 0.897 0.889 0.889 CB 1.158 11 residues pruned to eliminate duplicates Z: 6 4.396 1.514 0.292 0.837 0.800 0.600 CB 0.940 6 residues pruned to eliminate duplicates Z: 15 5.136 1.546 0.142 0.469 0.714 0.429 CB 1.124 15 residues pruned to eliminate duplicates Z: 13 8.801 1.474 0.349 0.715 1.000 0.667 CB 1.052 13 residues pruned to eliminate duplicates Z: 16 9.273 1.589 0.188 0.652 0.933 0.600 CB 1.179 16 residues pruned to eliminate duplicates Z: 12 10.574 1.630 0.288 0.754 1.000 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 36 13.751 1.652 0.486 0.398 0.886 0.486 CB 1.191 36 residues pruned to eliminate duplicates Z: 27 9.806 1.702 0.319 0.330 0.885 0.577 CB 1.168 27 residues pruned to eliminate duplicates Z: 22 5.565 1.534 0.177 0.303 0.714 0.476 CB 1.172 22 residues pruned to eliminate duplicates Z: 14 7.101 1.538 0.367 0.546 0.846 0.308 CB 1.058 14 residues pruned to eliminate duplicates Z: 22 10.213 1.729 0.252 0.531 0.857 0.571 CB 1.165 22 residues pruned to eliminate duplicates Z: 33 10.183 1.484 0.511 0.322 0.875 0.531 CB 1.116 37 residues pruned to eliminate duplicates Z: 6 6.504 1.719 0.319 0.720 0.800 0.600 CB 1.315 6 residues pruned to eliminate duplicates Z: 20 9.162 1.624 0.379 0.492 0.737 0.474 CB 1.285 20 residues pruned to eliminate duplicates Z: 14 11.809 1.673 0.506 0.575 0.923 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 28 15.457 1.811 0.482 0.508 0.852 0.593 CB 1.292 28 residues pruned to eliminate duplicates Z: 18 12.124 1.848 0.460 0.651 1.000 0.647 CB 0.946 18 residues pruned to eliminate duplicates Z: 25 13.635 1.812 0.622 0.532 0.875 0.542 CB 1.048 25 residues pruned to eliminate duplicates Z: 17 15.121 1.825 0.527 0.712 0.938 0.562 CB 1.194 17 residues pruned to eliminate duplicates Z: 20 10.145 1.832 0.414 0.459 0.842 0.632 CB 1.113 20 residues pruned to eliminate duplicates Z: 23 17.456 1.844 0.566 0.602 0.955 0.682 CB 1.225 23 residues pruned to eliminate duplicates Z: 25 14.745 1.816 0.407 0.561 0.917 0.625 CB 1.212 25 residues pruned to eliminate duplicates Z: 22 11.762 1.853 0.324 0.508 0.905 0.571 CB 1.147 22 residues pruned to eliminate duplicates Z: 24 18.349 1.850 0.642 0.619 0.913 0.783 CB 1.233 24 residues pruned to eliminate duplicates Z: 23 15.307 1.874 0.420 0.582 0.955 0.727 CB 1.187 23 residues pruned to eliminate duplicates Z: 11 5.973 1.799 0.283 0.252 1.000 0.400 CB 1.088 11 residues pruned to eliminate duplicates Z: 13 7.844 1.891 0.330 0.262 0.917 0.500 CB 1.289 13 residues pruned to eliminate duplicates Z: 25 14.975 1.815 0.567 0.506 0.875 0.500 CB 1.221 25 residues pruned to eliminate duplicates Z: 20 11.156 1.877 0.338 0.518 0.947 0.684 CB 1.057 20 residues pruned to eliminate duplicates Z: 16 9.034 1.814 0.427 0.281 0.867 0.333 CB 1.332 16 residues pruned to eliminate duplicates Z: 23 14.197 1.882 0.487 0.539 0.864 0.409 CB 1.205 23 residues pruned to eliminate duplicates Z: 6 4.689 1.732 0.844 0.715 0.600 0.600 CB 0.901 6 residues pruned to eliminate duplicates Z: 7 6.367 1.694 0.624 0.724 0.833 0.667 CB 0.926 7 residues pruned to eliminate duplicates Z: 12 6.015 1.686 0.752 0.463 0.727 0.364 CB 0.877 12 residues pruned to eliminate duplicates Z: 12 6.750 1.577 0.880 0.469 0.727 0.455 N 0.974 12 residues pruned to eliminate duplicates Z: 13 8.715 1.674 0.716 0.557 0.833 0.417 CB 0.995 13 residues pruned to eliminate duplicates Z: 11 10.781 1.745 0.656 0.483 0.900 0.400 CB 1.334 11 residues pruned to eliminate duplicates Z: 17 13.997 1.747 0.900 0.549 0.812 0.438 CB 1.237 16 residues pruned to eliminate duplicates Z: 8 6.968 1.334 0.661 0.781 1.000 0.571 N 0.928 Z: 8 6.163 1.735 0.340 0.617 0.714 0.429 N 1.256 17 residues pruned to eliminate duplicates Z: 8 7.233 1.495 0.506 0.739 1.000 0.714 N 0.980 7 residues pruned to eliminate duplicates Z: 7 5.767 1.508 0.268 0.716 0.833 0.500 N 1.216 8 residues pruned to eliminate duplicates 6 0.812 1.618 0.094 0.172 0.400 0.000 CB 0.763 ? Z: 9 7.376 1.599 0.363 0.618 0.875 0.625 N 1.224 8 residues pruned to eliminate duplicates Z: 10 7.502 1.589 0.227 0.586 0.889 0.667 N 1.329 10 residues pruned to eliminate duplicates Z: 14 5.850 1.666 0.307 0.425 0.769 0.462 N 1.047 14 residues pruned to eliminate duplicates Z: 18 10.126 1.692 0.233 0.514 0.882 0.529 N 1.316 17 residues pruned to eliminate duplicates Z: 13 12.536 1.699 0.377 0.848 0.917 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 19 8.614 1.586 0.394 0.535 0.778 0.444 N 1.141 19 residues pruned to eliminate duplicates Z: 15 11.227 1.644 0.433 0.706 0.929 0.500 CB 1.137 15 residues pruned to eliminate duplicates Z: 11 12.954 1.629 0.826 0.774 0.900 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 13 8.004 1.538 0.742 0.542 0.833 0.333 N 0.993 13 residues pruned to eliminate duplicates Z: 12 9.503 1.573 0.521 0.689 0.818 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 13 8.898 1.680 0.546 0.718 0.833 0.500 CB 0.974 13 residues pruned to eliminate duplicates Z: 19 6.033 1.501 0.350 0.564 0.778 0.444 CB 0.848 15 residues pruned to eliminate duplicates Z: 14 12.783 1.693 0.398 0.781 1.000 0.538 CB 1.170 17 residues pruned to eliminate duplicates Z: 15 12.666 1.644 0.573 0.851 0.929 0.714 CB 1.043 14 residues pruned to eliminate duplicates Z: 12 13.210 1.695 0.380 0.835 1.000 0.818 CB 1.275 12 residues pruned to eliminate duplicates Z: 8 7.932 1.493 0.697 0.619 0.857 0.857 N 1.233 Z: 6 5.243 1.369 0.363 0.817 1.000 1.000 N 0.954 Z: 8 5.053 1.299 0.575 0.804 1.000 0.714 N 0.716 9 residues pruned to eliminate duplicates Z: 7 4.314 1.416 0.652 0.862 1.000 0.667 CB 0.553 7 residues pruned to eliminate duplicates Z: 6 4.163 1.693 0.301 0.404 0.800 0.200 CB 1.169 6 residues pruned to eliminate duplicates Z: 12 4.312 1.528 0.676 0.414 0.636 0.182 CB 0.873 12 residues pruned to eliminate duplicates Z: 14 11.759 1.598 0.388 0.718 1.000 0.692 CB 1.208 20 residues pruned to eliminate duplicates Z: 11 4.190 1.481 0.187 0.602 0.700 0.400 O 0.977 11 residues pruned to eliminate duplicates Z: 22 8.306 1.604 0.535 0.463 0.810 0.429 CB 0.944 22 residues pruned to eliminate duplicates Z: 16 8.968 1.556 0.445 0.824 1.000 0.800 CB 0.778 16 residues pruned to eliminate duplicates Z: 12 8.496 1.576 0.557 0.822 1.000 0.727 CB 0.789 12 residues pruned to eliminate duplicates Z: 10 7.742 1.601 0.757 0.598 0.778 0.556 CB 1.074 10 residues pruned to eliminate duplicates Z: 16 14.246 1.612 0.760 0.812 0.933 0.667 CB 1.059 23 residues pruned to eliminate duplicates Z: 23 13.247 1.623 0.570 0.890 0.955 0.727 CB 0.835 23 residues pruned to eliminate duplicates Z: 14 11.597 1.548 0.656 0.825 1.000 0.692 CB 0.947 14 residues pruned to eliminate duplicates Z: 23 10.313 1.441 0.819 0.618 0.909 0.500 CB 0.825 23 residues pruned to eliminate duplicates Z: 17 14.170 1.706 0.604 0.905 1.000 0.812 CB 0.921 17 residues pruned to eliminate duplicates Z: 19 14.474 1.633 0.680 0.869 1.000 0.611 CB 0.909 19 residues pruned to eliminate duplicates Z: 22 13.712 1.680 0.573 0.792 0.857 0.810 CB 1.022 22 residues pruned to eliminate duplicates Z: 20 15.960 1.744 0.494 0.864 1.000 0.842 CB 1.031 20 residues pruned to eliminate duplicates Z: 25 13.679 1.618 0.661 0.847 0.958 0.542 CB 0.805 25 residues pruned to eliminate duplicates Z: 19 8.963 1.703 0.490 0.678 0.889 0.556 CB 0.795 19 residues pruned to eliminate duplicates Z: 14 10.084 1.794 0.343 0.666 0.846 0.538 CB 1.176 14 residues pruned to eliminate duplicates Z: 12 8.982 1.796 0.365 0.724 0.909 0.636 CB 0.993 12 residues pruned to eliminate duplicates Z: 11 11.330 1.820 0.434 0.794 1.000 0.900 CB 1.061 11 residues pruned to eliminate duplicates Z: 15 8.265 1.654 0.465 0.725 0.857 0.857 CB 0.869 15 residues pruned to eliminate duplicates Z: 11 7.461 1.798 0.422 0.705 0.800 0.800 CB 0.957 11 residues pruned to eliminate duplicates Z: 12 11.065 1.782 0.462 0.830 0.909 0.818 CB 1.060 12 residues pruned to eliminate duplicates Z: 12 11.931 1.781 0.634 0.813 1.000 0.818 CB 0.942 12 residues pruned to eliminate duplicates Z: 7 4.202 1.440 0.615 0.500 1.000 0.667 CB 0.737 5 residues pruned to eliminate duplicates Z: 10 12.969 1.879 0.394 0.805 1.000 0.889 CB 1.265 10 residues pruned to eliminate duplicates Z: 10 2.100 1.433 0.397 0.165 0.556 0.444 N 0.947 18 residues pruned to eliminate duplicates Z: 9 7.918 1.649 0.561 0.819 0.875 0.750 CB 0.942 9 residues pruned to eliminate duplicates Z: 17 8.040 1.549 0.663 0.462 0.750 0.500 CB 1.081 17 residues pruned to eliminate duplicates Z: 13 10.170 1.679 0.622 0.698 1.000 0.583 CB 0.900 14 residues pruned to eliminate duplicates Z: 11 12.619 1.668 0.586 0.896 1.000 0.900 CB 1.081 11 residues pruned to eliminate duplicates Z: 7 7.423 1.780 0.767 0.704 0.833 0.500 CB 0.961 7 residues pruned to eliminate duplicates Z: 8 6.695 1.646 0.588 0.646 0.857 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 8 3.833 1.471 0.258 0.631 1.000 0.429 CB 0.693 8 residues pruned to eliminate duplicates Z: 16 7.288 1.488 0.415 0.413 0.867 0.400 N 1.129 14 residues pruned to eliminate duplicates Z: 14 7.846 1.534 0.258 0.544 0.846 0.462 CB 1.276 23 residues pruned to eliminate duplicates Z: 6 2.282 1.399 0.991 0.268 0.800 0.600 O 0.596 6 residues pruned to eliminate duplicates Z: 20 12.207 1.608 0.359 0.626 0.895 0.632 O 1.272 26 residues pruned to eliminate duplicates Z: 14 4.012 1.462 0.248 0.226 0.692 0.308 CB 1.214 14 residues pruned to eliminate duplicates Z: 8 4.335 1.322 0.750 0.633 0.857 0.429 N 0.729 8 residues pruned to eliminate duplicates Z: 7 3.312 1.524 0.533 0.545 0.667 0.667 N 0.830 7 residues pruned to eliminate duplicates Z: 14 9.356 1.551 0.325 0.695 0.846 0.538 CB 1.249 14 residues pruned to eliminate duplicates Z: 19 10.643 1.549 0.332 0.713 0.833 0.389 N 1.203 19 residues pruned to eliminate duplicates Z: 15 8.438 1.510 0.587 0.807 0.714 0.500 CB 1.008 15 residues pruned to eliminate duplicates Z: 9 6.139 1.635 0.283 0.718 0.750 0.500 N 1.132 9 residues pruned to eliminate duplicates Z: 23 11.880 1.562 0.528 0.652 0.773 0.545 CB 1.192 23 residues pruned to eliminate duplicates Z: 11 8.062 1.546 0.686 0.728 0.700 0.700 CB 1.139 11 residues pruned to eliminate duplicates Z: 11 7.956 1.619 0.235 0.770 0.700 0.400 N 1.415 11 residues pruned to eliminate duplicates Z: 31 12.457 1.506 0.546 0.592 0.800 0.433 CB 1.118 31 residues pruned to eliminate duplicates Z: 17 16.199 1.530 0.586 0.780 1.000 0.875 CB 1.304 17 residues pruned to eliminate duplicates Z: 15 10.597 1.504 0.617 0.660 0.857 0.500 CB 1.171 15 residues pruned to eliminate duplicates Z: 22 17.826 1.540 0.592 0.794 0.952 0.667 CB 1.287 22 residues pruned to eliminate duplicates Z: 17 13.161 1.518 0.603 0.797 0.812 0.562 O 1.283 17 residues pruned to eliminate duplicates Z: 14 7.642 1.522 0.615 0.408 0.846 0.385 CB 1.123 14 residues pruned to eliminate duplicates Z: 17 7.351 1.483 0.418 0.514 0.875 0.438 CB 0.984 17 residues pruned to eliminate duplicates Z: 6 4.233 1.530 0.030 0.827 1.000 0.800 CB 0.906 6 residues pruned to eliminate duplicates Z: 7 5.027 1.446 0.156 0.709 1.000 1.000 CB 1.017 7 residues pruned to eliminate duplicates Z: 16 9.351 1.571 0.564 0.697 0.733 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 22 20.324 1.542 0.660 0.915 0.952 0.905 CB 1.285 21 residues pruned to eliminate duplicates Z: 25 16.324 1.483 0.647 0.834 0.875 0.667 CB 1.169 25 residues pruned to eliminate duplicates Z: 8 8.777 1.604 0.960 0.760 0.714 0.571 N 1.173 18 residues pruned to eliminate duplicates Z: 12 16.211 1.653 0.697 0.832 0.909 0.545 CB 1.439 15 residues pruned to eliminate duplicates Z: 11 14.856 1.613 0.526 0.895 1.000 0.900 N 1.369 11 residues pruned to eliminate duplicates Z: 9 11.547 1.540 0.951 0.774 0.875 0.500 N 1.219 9 residues pruned to eliminate duplicates Z: 11 12.423 1.349 1.057 0.836 0.900 0.600 N 1.177 11 residues pruned to eliminate duplicates Z: 15 12.878 1.731 0.688 0.587 0.857 0.714 N 1.264 15 residues pruned to eliminate duplicates Z: 13 9.424 1.656 0.465 0.497 0.917 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 11 16.263 1.614 1.052 0.715 1.000 0.500 CB 1.277 11 residues pruned to eliminate duplicates Z: 13 6.162 1.604 0.511 0.287 0.917 0.167 N 1.017 13 residues pruned to eliminate duplicates Z: 16 8.638 1.660 0.551 0.382 0.800 0.267 N 1.227 16 residues pruned to eliminate duplicates Z: 18 9.078 1.642 0.550 0.423 0.882 0.294 N 1.062 18 residues pruned to eliminate duplicates Z: 12 17.072 1.960 0.465 0.758 1.000 0.727 CB 1.425 12 residues pruned to eliminate duplicates Z: 26 16.660 1.770 0.660 0.510 0.920 0.520 CB 1.220 17 residues pruned to eliminate duplicates Z: 13 17.165 1.811 0.482 0.838 1.000 0.917 CB 1.379 13 residues pruned to eliminate duplicates Z: 9 14.134 1.955 0.281 0.730 1.000 0.750 CB 1.622 9 residues pruned to eliminate duplicates Z: 16 13.160 1.729 0.436 0.586 1.000 0.667 CB 1.260 16 residues pruned to eliminate duplicates Z: 21 12.690 1.790 0.832 0.440 0.700 0.350 N 1.316 21 residues pruned to eliminate duplicates Z: 25 12.836 1.716 0.650 0.490 0.833 0.500 CB 1.121 25 residues pruned to eliminate duplicates Z: 14 12.520 1.855 0.485 0.718 0.846 0.615 CB 1.224 14 residues pruned to eliminate duplicates Z: 16 15.056 1.858 0.594 0.590 0.933 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 13 17.828 2.028 0.747 0.701 0.833 0.500 CB 1.451 13 residues pruned to eliminate duplicates Z: 23 14.845 1.868 0.508 0.602 0.864 0.455 CB 1.180 23 residues pruned to eliminate duplicates Z: 13 7.160 1.923 0.980 0.353 0.583 0.417 CB 1.092 13 residues pruned to eliminate duplicates Z: 28 16.678 1.811 0.564 0.582 0.926 0.519 CB 1.131 32 residues pruned to eliminate duplicates Z: 6 2.155 1.468 0.442 0.345 0.800 0.600 N 0.674 6 residues pruned to eliminate duplicates Z: 20 11.040 1.801 0.540 0.477 0.842 0.368 CB 1.110 27 residues pruned to eliminate duplicates Z: 7 4.130 1.389 0.830 0.539 0.833 0.667 CA 0.766 7 residues pruned to eliminate duplicates Z: 21 11.683 1.764 0.668 0.393 0.900 0.400 CB 1.106 21 residues pruned to eliminate duplicates Z: 28 8.898 1.681 0.450 0.298 0.667 0.333 CB 1.320 28 residues pruned to eliminate duplicates Z: 12 9.255 1.710 0.928 0.384 0.909 0.455 CB 1.052 12 residues pruned to eliminate duplicates Z: 7 2.022 1.570 0.584 0.171 0.667 0.333 N 0.742 7 residues pruned to eliminate duplicates Z: 10 4.393 1.359 0.521 0.314 0.889 0.333 CB 0.979 5 residues pruned to eliminate duplicates Z: 9 6.178 1.522 0.113 0.656 1.000 1.000 CB 1.115 9 residues pruned to eliminate duplicates Z: 25 12.198 1.721 0.385 0.433 0.875 0.375 CB 1.280 43 residues pruned to eliminate duplicates Z: 12 5.844 1.564 0.512 0.550 0.818 0.455 CB 0.868 Z: 6 3.139 1.500 -0.121 0.779 1.000 0.800 CB 0.832 6 residues pruned to eliminate duplicates Z: 10 3.425 1.576 -0.184 0.603 0.778 0.556 CB 1.035 10 residues pruned to eliminate duplicates Z: 13 6.178 1.516 0.588 0.666 0.750 0.667 CB 0.848 13 residues pruned to eliminate duplicates Z: 8 8.297 1.434 1.038 0.785 1.000 0.714 CB 0.835 7 residues pruned to eliminate duplicates Z: 8 8.215 1.469 0.789 0.805 1.000 0.571 CB 0.905 8 residues pruned to eliminate duplicates Z: 9 10.400 1.505 0.827 0.860 1.000 0.750 CB 0.984 9 residues pruned to eliminate duplicates Z: 6 5.714 1.409 0.997 0.795 0.800 0.400 CB 0.877 Z: 6 4.109 1.570 0.876 0.327 0.800 0.200 CB 0.943 6 residues pruned to eliminate duplicates Z: 29 14.973 1.721 0.562 0.389 0.893 0.464 CB 1.326 29 residues pruned to eliminate duplicates Z: 15 19.317 1.881 0.531 0.819 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 13 12.974 1.949 0.436 0.551 0.917 0.583 CB 1.390 13 residues pruned to eliminate duplicates Z: 23 16.271 1.885 0.504 0.575 0.864 0.636 CB 1.319 23 residues pruned to eliminate duplicates Z: 17 14.980 1.893 0.620 0.626 0.875 0.625 CB 1.240 17 residues pruned to eliminate duplicates Z: 32 14.722 1.782 0.444 0.456 0.871 0.613 CB 1.234 32 residues pruned to eliminate duplicates Z: 24 15.563 1.805 0.529 0.548 0.913 0.609 CB 1.229 24 residues pruned to eliminate duplicates Z: 54 21.151 1.790 0.642 0.493 0.868 0.642 CB 1.147 55 residues pruned to eliminate duplicates Z: 14 19.184 1.846 0.736 0.827 1.000 0.846 CB 1.250 14 residues pruned to eliminate duplicates Z: 29 19.278 1.870 0.538 0.509 0.929 0.679 CB 1.351 29 residues pruned to eliminate duplicates Z: 27 16.937 1.873 0.390 0.578 0.923 0.692 CB 1.282 27 residues pruned to eliminate duplicates Z: 20 22.575 1.983 0.499 0.712 1.000 0.789 CB 1.437 26 residues pruned to eliminate duplicates Z: 14 17.775 1.862 0.723 0.776 0.923 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 29 17.528 1.820 0.453 0.511 0.929 0.607 CB 1.334 29 residues pruned to eliminate duplicates Z: 28 19.775 1.846 0.674 0.521 0.926 0.444 CB 1.303 28 residues pruned to eliminate duplicates Z: 29 19.563 1.845 0.573 0.504 0.929 0.536 CB 1.366 29 residues pruned to eliminate duplicates Z: 28 18.989 1.836 0.719 0.550 0.963 0.481 CB 1.145 22 residues pruned to eliminate duplicates Z: 6 4.330 1.263 0.789 0.371 1.000 0.600 CB 0.984 Z: 7 4.126 1.389 0.324 0.521 1.000 0.667 CB 0.896 14 residues pruned to eliminate duplicates Z: 14 11.232 1.719 0.188 0.913 1.000 1.000 CB 1.080 14 residues pruned to eliminate duplicates Z: 10 7.870 1.702 0.170 0.798 0.889 0.889 CB 1.142 10 residues pruned to eliminate duplicates Z: 11 10.996 1.798 0.091 0.865 1.000 1.000 CB 1.299 11 residues pruned to eliminate duplicates Z: 14 11.734 1.877 0.377 0.578 0.923 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 18 13.546 1.725 0.387 0.769 1.000 0.765 CB 1.082 14 residues pruned to eliminate duplicates Z: 12 11.833 1.810 0.317 0.837 1.000 0.818 CB 1.119 12 residues pruned to eliminate duplicates Z: 11 15.402 1.724 0.749 0.847 1.000 0.800 CB 1.199 11 residues pruned to eliminate duplicates Z: 15 12.266 1.806 0.671 0.647 0.857 0.643 CB 1.105 19 residues pruned to eliminate duplicates Z: 12 17.125 1.828 0.579 0.895 1.000 0.909 CB 1.283 12 residues pruned to eliminate duplicates Z: 12 14.508 1.793 0.349 0.856 1.000 0.727 CB 1.334 12 residues pruned to eliminate duplicates Z: 15 14.588 1.891 0.447 0.681 0.857 0.786 N 1.408 15 residues pruned to eliminate duplicates Z: 22 12.885 1.808 0.575 0.653 0.762 0.667 CB 1.124 22 residues pruned to eliminate duplicates Z: 17 14.904 1.874 0.542 0.652 0.875 0.500 CB 1.279 17 residues pruned to eliminate duplicates Z: 24 14.910 1.838 0.570 0.631 0.913 0.652 CB 1.043 21 residues pruned to eliminate duplicates Z: 8 3.391 1.310 0.252 0.554 0.857 0.571 C 0.865 8 residues pruned to eliminate duplicates Z: 9 6.858 1.993 0.696 0.500 0.875 0.500 CB 0.819 11 residues pruned to eliminate duplicates Z: 9 8.863 1.548 0.281 0.892 1.000 1.000 CB 1.135 5 residues pruned to eliminate duplicates Z: 8 6.830 1.544 0.098 0.857 1.000 0.857 CA 1.122 8 residues pruned to eliminate duplicates Z: 7 9.087 1.615 0.837 0.855 0.833 0.500 CB 1.108 8 residues pruned to eliminate duplicates Z: 9 7.726 1.545 0.330 0.910 1.000 1.000 CB 0.943 9 residues pruned to eliminate duplicates Z: 8 4.675 1.460 0.195 0.651 1.000 0.857 CB 0.880 8 residues pruned to eliminate duplicates Z: 8 7.071 1.473 0.359 0.893 1.000 0.857 CB 0.959 8 residues pruned to eliminate duplicates Z: 9 6.524 1.437 0.456 0.767 0.875 0.750 CB 0.994 9 residues pruned to eliminate duplicates Z: 8 6.667 1.483 0.268 0.810 1.000 0.857 CB 1.023 8 residues pruned to eliminate duplicates Z: 11 7.590 1.461 0.412 0.799 1.000 0.900 CB 0.896 10 residues pruned to eliminate duplicates Z: 12 18.721 1.694 0.839 0.907 1.000 0.818 CA 1.288 12 residues pruned to eliminate duplicates Z: 10 15.053 1.777 0.569 0.882 0.889 0.889 CA 1.464 10 residues pruned to eliminate duplicates Z: 18 12.933 1.782 0.587 0.508 0.882 0.706 CB 1.248 18 residues pruned to eliminate duplicates Z: 18 14.010 1.778 0.606 0.482 0.941 0.706 CB 1.287 18 residues pruned to eliminate duplicates Z: 12 11.290 1.681 0.721 0.527 1.000 0.636 CA 1.146 12 residues pruned to eliminate duplicates Z: 10 16.842 1.853 0.728 0.698 1.000 0.889 CA 1.464 10 residues pruned to eliminate duplicates Z: 12 12.587 1.672 0.845 0.679 0.818 0.727 CA 1.275 12 residues pruned to eliminate duplicates Z: 21 19.896 1.760 0.696 0.619 0.950 0.750 CB 1.402 22 residues pruned to eliminate duplicates Z: 13 17.647 1.740 0.701 0.898 1.000 0.833 CA 1.231 13 residues pruned to eliminate duplicates Z: 27 17.237 1.794 0.576 0.557 0.923 0.731 CB 1.225 27 residues pruned to eliminate duplicates Z: 13 21.438 1.802 0.877 0.882 1.000 0.583 CB 1.324 13 residues pruned to eliminate duplicates Z: 14 18.508 1.820 0.896 0.752 0.923 0.538 CB 1.287 14 residues pruned to eliminate duplicates Z: 18 9.517 1.714 0.347 0.505 0.882 0.471 CB 1.127 18 residues pruned to eliminate duplicates Z: 25 12.522 1.802 0.510 0.455 0.875 0.583 CB 1.124 25 residues pruned to eliminate duplicates Z: 13 11.094 1.726 0.706 0.510 0.917 0.667 CB 1.175 22 residues pruned to eliminate duplicates Z: 6 3.094 1.334 0.721 0.359 1.000 0.400 CB 0.701 6 residues pruned to eliminate duplicates Z: 19 15.388 1.740 0.709 0.551 0.833 0.611 CA 1.393 19 residues pruned to eliminate duplicates Z: 18 7.660 1.846 0.307 0.385 0.824 0.471 CB 1.056 18 residues pruned to eliminate duplicates Z: 11 3.490 1.837 0.028 0.231 0.800 0.500 CB 0.999 Z: 6 3.611 1.529 0.373 0.404 1.000 0.400 N 0.850 9 residues pruned to eliminate duplicates Z: 7 5.600 1.655 0.544 0.382 0.833 0.500 CB 1.218 7 residues pruned to eliminate duplicates Z: 11 4.152 1.723 0.059 0.354 0.700 0.400 CB 1.204 7 residues pruned to eliminate duplicates Z: 13 10.037 1.723 0.187 0.773 0.917 0.667 CB 1.214 13 residues pruned to eliminate duplicates Z: 15 11.635 1.661 0.447 0.662 0.857 0.786 CB 1.298 15 residues pruned to eliminate duplicates Z: 13 12.917 1.733 0.470 0.718 0.833 0.667 N 1.443 13 residues pruned to eliminate duplicates Z: 13 13.699 1.822 0.391 0.716 0.917 0.667 CB 1.400 13 residues pruned to eliminate duplicates Z: 13 12.632 1.758 0.442 0.748 0.833 0.750 CB 1.383 13 residues pruned to eliminate duplicates Z: 13 11.203 1.770 0.497 0.702 0.750 0.500 CB 1.353 13 residues pruned to eliminate duplicates Z: 19 9.845 1.715 0.501 0.505 0.889 0.611 CB 1.009 19 residues pruned to eliminate duplicates Z: 13 14.256 1.814 0.541 0.727 0.833 0.583 CB 1.439 14 residues pruned to eliminate duplicates Z: 13 16.614 1.768 0.459 0.853 1.000 1.000 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 19.476 1.797 0.615 0.849 1.000 0.833 CB 1.436 12 residues pruned to eliminate duplicates Z: 13 16.996 1.779 0.415 0.851 1.000 0.917 CB 1.443 13 residues pruned to eliminate duplicates Z: 13 13.537 1.751 0.433 0.780 0.917 0.917 CB 1.328 13 residues pruned to eliminate duplicates Z: 13 16.425 1.748 0.569 0.841 1.000 0.917 CB 1.289 13 residues pruned to eliminate duplicates Z: 14 13.204 1.660 0.413 0.858 1.000 0.923 CB 1.150 14 residues pruned to eliminate duplicates Z: 21 10.051 1.575 0.331 0.575 0.800 0.700 CB 1.247 21 residues pruned to eliminate duplicates Z: 22 11.623 1.632 0.374 0.610 0.905 0.571 CB 1.126 21 residues pruned to eliminate duplicates Z: 10 7.082 1.589 0.322 0.791 1.000 0.778 CB 0.870 7 residues pruned to eliminate duplicates Z: 9 8.895 1.629 0.400 0.831 1.000 0.750 CB 1.037 10 residues pruned to eliminate duplicates Z: 11 10.535 1.537 0.438 0.885 1.000 0.700 CB 1.088 9 residues pruned to eliminate duplicates Z: 8 7.183 1.654 0.469 0.838 0.857 0.286 CB 0.974 8 residues pruned to eliminate duplicates Z: 11 5.812 1.691 0.277 0.543 0.800 0.300 CB 1.020 10 residues pruned to eliminate duplicates Z: 8 8.622 1.649 0.736 0.853 1.000 0.571 N 0.841 8 residues pruned to eliminate duplicates Z: 12 9.513 1.528 0.857 0.784 0.909 0.545 CB 0.866 17 residues pruned to eliminate duplicates Z: 11 12.969 1.556 0.811 0.890 1.000 0.800 CB 1.047 11 residues pruned to eliminate duplicates Z: 11 5.793 1.494 0.743 0.429 0.700 0.400 CB 1.082 11 residues pruned to eliminate duplicates Z: 14 12.512 1.602 0.855 0.597 1.000 0.538 CB 1.065 14 residues pruned to eliminate duplicates Z: 10 10.407 1.627 0.826 0.669 0.889 0.778 CB 1.125 10 residues pruned to eliminate duplicates Z: 9 7.889 1.610 0.680 0.584 0.750 0.625 CB 1.269 9 residues pruned to eliminate duplicates Z: 10 6.878 1.669 0.846 0.749 0.889 0.444 CB 0.670 10 residues pruned to eliminate duplicates Z: 7 6.289 1.670 0.558 0.619 0.833 0.333 CB 1.058 7 residues pruned to eliminate duplicates Z: 10 3.345 1.612 0.403 0.272 0.556 0.444 CB 1.150 10 residues pruned to eliminate duplicates Z: 11 7.519 1.641 0.213 0.747 1.000 0.200 CB 0.958 11 residues pruned to eliminate duplicates Z: 13 7.768 1.621 0.335 0.647 0.833 0.500 CB 1.085 13 residues pruned to eliminate duplicates Z: 11 8.472 1.649 0.404 0.801 0.900 0.700 CB 0.989 11 residues pruned to eliminate duplicates Z: 6 5.984 1.634 0.146 0.692 1.000 0.800 CB 1.199 6 residues pruned to eliminate duplicates Z: 15 7.140 1.487 0.288 0.703 0.786 0.571 N 1.055 15 residues pruned to eliminate duplicates Z: 11 7.217 1.537 0.477 0.773 0.900 0.600 CB 0.878 11 residues pruned to eliminate duplicates Z: 17 10.925 1.597 0.756 0.882 0.938 0.812 CB 0.752 17 residues pruned to eliminate duplicates Z: 12 9.773 1.593 0.559 0.872 0.909 0.727 CB 0.951 12 residues pruned to eliminate duplicates Z: 11 7.663 1.484 0.385 0.902 1.000 0.700 CB 0.841 11 residues pruned to eliminate duplicates Z: 13 6.317 1.659 0.393 0.401 0.833 0.417 CB 1.051 13 residues pruned to eliminate duplicates Z: 10 6.101 1.504 0.336 0.395 1.000 0.889 CB 1.131 10 residues pruned to eliminate duplicates Z: 13 10.118 1.701 0.246 0.823 1.000 0.833 CB 1.042 13 residues pruned to eliminate duplicates Z: 14 8.982 1.708 0.356 0.539 0.923 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 17 12.546 1.733 0.355 0.633 0.938 0.688 CB 1.257 17 residues pruned to eliminate duplicates Z: 19 10.721 1.722 0.328 0.649 0.889 0.722 CB 1.081 19 residues pruned to eliminate duplicates Z: 18 12.207 1.667 0.591 0.601 0.941 0.647 CB 1.077 18 residues pruned to eliminate duplicates Z: 18 13.299 1.690 0.570 0.578 0.941 0.647 CB 1.198 18 residues pruned to eliminate duplicates Z: 8 7.933 1.734 0.499 0.674 0.857 0.286 CB 1.146 7 residues pruned to eliminate duplicates Z: 10 12.239 1.694 0.679 0.869 1.000 0.889 CB 1.047 10 residues pruned to eliminate duplicates Z: 9 9.812 1.661 0.721 0.840 1.000 0.625 CB 0.906 9 residues pruned to eliminate duplicates Z: 10 11.590 1.701 0.502 0.826 1.000 0.889 CB 1.140 10 residues pruned to eliminate duplicates Z: 18 10.279 1.728 0.371 0.589 0.941 0.706 CB 1.027 18 residues pruned to eliminate duplicates Z: 20 9.736 1.697 0.294 0.527 0.842 0.368 CB 1.177 8 residues pruned to eliminate duplicates Z: 11 12.307 1.795 0.576 0.673 0.900 0.700 CB 1.303 11 residues pruned to eliminate duplicates Z: 16 11.808 1.779 0.450 0.525 0.867 0.533 CB 1.331 16 residues pruned to eliminate duplicates Z: 9 17.489 1.942 0.628 0.795 1.000 0.875 CA 1.510 9 residues pruned to eliminate duplicates Z: 9 18.456 1.898 0.687 0.846 1.000 0.875 CA 1.515 9 residues pruned to eliminate duplicates Z: 9 14.770 1.912 0.306 0.884 1.000 1.000 CA 1.512 9 residues pruned to eliminate duplicates Z: 11 15.113 1.849 0.599 0.839 0.900 0.600 CB 1.342 11 residues pruned to eliminate duplicates Z: 11 13.924 1.876 0.608 0.684 0.900 0.600 CB 1.370 11 residues pruned to eliminate duplicates Z: 18 11.813 1.593 0.742 0.519 0.882 0.588 CB 1.148 12 residues pruned to eliminate duplicates Z: 11 21.152 1.866 0.859 0.821 1.000 0.800 CB 1.460 25 residues pruned to eliminate duplicates Z: 11 15.801 1.852 0.452 0.871 1.000 0.900 CA 1.355 11 residues pruned to eliminate duplicates 6 1.642 1.451 0.000 0.373 0.800 0.600 CB 0.725 ? Z: 14 6.942 1.553 0.449 0.654 0.846 0.462 CB 0.877 6 residues pruned to eliminate duplicates Z: 8 5.650 1.554 0.564 0.890 1.000 0.857 CB 0.632 8 residues pruned to eliminate duplicates Z: 13 7.003 1.530 0.319 0.660 0.917 0.500 CB 0.942 14 residues pruned to eliminate duplicates Z: 8 7.224 1.564 0.549 0.889 1.000 1.000 CB 0.812 8 residues pruned to eliminate duplicates Z: 14 6.193 1.499 0.389 0.647 0.846 0.615 CB 0.850 12 residues pruned to eliminate duplicates Z: 6 6.106 1.605 0.720 0.834 0.800 0.400 CB 0.927 6 residues pruned to eliminate duplicates Z: 6 6.177 1.589 0.467 0.875 1.000 0.800 CB 0.862 6 residues pruned to eliminate duplicates Z: 13 6.786 1.531 0.235 0.648 0.917 0.750 CB 0.985 13 residues pruned to eliminate duplicates Z: 7 4.977 1.513 0.404 0.890 1.000 0.667 CB 0.688 7 residues pruned to eliminate duplicates Z: 10 6.882 1.337 0.481 0.815 0.889 0.667 CB 0.991 9 residues pruned to eliminate duplicates Z: 11 6.640 1.348 0.202 0.895 1.000 0.800 CB 0.929 11 residues pruned to eliminate duplicates Z: 7 5.348 1.312 0.501 0.729 1.000 0.667 N 0.902 7 residues pruned to eliminate duplicates Z: 7 5.629 1.465 0.024 0.710 1.000 0.667 N 1.266 7 residues pruned to eliminate duplicates Z: 9 3.685 1.373 0.116 0.521 0.750 0.625 CA 1.110 9 residues pruned to eliminate duplicates Z: 8 5.759 1.466 0.284 0.801 0.857 0.857 CB 1.037 7 residues pruned to eliminate duplicates Z: 9 7.344 1.488 0.543 0.781 0.875 0.750 CB 1.009 9 residues pruned to eliminate duplicates Z: 14 7.370 1.330 0.527 0.845 0.923 0.462 CB 0.811 14 residues pruned to eliminate duplicates Z: 8 3.052 1.447 0.133 0.697 0.571 0.571 N 1.029 8 residues pruned to eliminate duplicates Z: 8 6.225 1.467 0.372 0.724 0.857 0.571 N 1.114 7 residues pruned to eliminate duplicates Z: 8 6.422 1.460 0.451 0.765 0.857 0.571 N 1.056 8 residues pruned to eliminate duplicates Z: 12 7.182 1.334 0.281 0.913 1.000 0.818 CB 0.897 12 residues pruned to eliminate duplicates Z: 12 5.931 1.625 0.476 0.414 0.818 0.455 CB 0.998 12 residues pruned to eliminate duplicates Z: 11 8.373 1.745 0.780 0.398 0.800 0.400 CB 1.187 10 residues pruned to eliminate duplicates Z: 6 3.746 1.505 0.496 0.352 1.000 0.600 CB 0.874 6 residues pruned to eliminate duplicates Z: 13 7.702 1.697 0.404 0.406 0.917 0.500 CB 1.124 13 residues pruned to eliminate duplicates Z: 10 8.053 1.738 0.467 0.491 0.889 0.222 CB 1.195 10 residues pruned to eliminate duplicates Z: 13 7.229 1.694 0.472 0.464 0.833 0.333 CB 1.043 13 residues pruned to eliminate duplicates Z: 15 7.714 1.696 0.574 0.401 0.786 0.357 CB 1.091 15 residues pruned to eliminate duplicates Z: 16 9.196 1.727 0.418 0.410 0.867 0.400 CB 1.229 15 residues pruned to eliminate duplicates Z: 6 2.727 1.613 0.176 0.477 0.800 0.600 CB 0.822 6 residues pruned to eliminate duplicates Z: 8 2.146 1.765 0.171 0.174 0.714 0.571 CB 0.815 8 residues pruned to eliminate duplicates Z: 10 4.282 1.607 0.266 0.510 0.778 0.556 CB 0.893 10 residues pruned to eliminate duplicates Z: 14 8.918 1.702 0.693 0.592 0.846 0.538 CB 0.929 23 residues pruned to eliminate duplicates Z: 11 11.299 1.623 0.695 0.729 1.000 0.400 CB 1.057 11 residues pruned to eliminate duplicates Z: 18 10.671 1.663 0.264 0.661 1.000 0.765 CB 1.060 18 residues pruned to eliminate duplicates Z: 15 11.668 1.800 0.590 0.754 1.000 0.786 CB 0.869 15 residues pruned to eliminate duplicates Z: 12 11.314 1.762 0.468 0.831 0.909 0.818 CB 1.090 12 residues pruned to eliminate duplicates Z: 14 13.603 1.783 0.464 0.760 0.923 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 14 12.864 1.818 0.421 0.808 1.000 0.692 CB 1.056 14 residues pruned to eliminate duplicates Z: 12 12.003 1.788 0.414 0.731 1.000 0.727 CB 1.163 12 residues pruned to eliminate duplicates Z: 13 13.701 1.751 0.536 0.839 1.000 0.833 CB 1.099 13 residues pruned to eliminate duplicates Z: 16 11.199 1.767 0.496 0.782 0.933 0.667 CB 0.915 16 residues pruned to eliminate duplicates Z: 11 8.609 1.746 0.867 0.836 0.900 0.800 CB 0.694 11 residues pruned to eliminate duplicates Z: 16 8.935 1.619 0.769 0.774 0.867 0.667 CB 0.730 16 residues pruned to eliminate duplicates Z: 17 12.718 1.640 0.633 0.832 0.938 0.688 CB 0.951 17 residues pruned to eliminate duplicates Z: 21 15.210 1.634 0.566 0.808 1.000 0.700 CB 1.016 20 residues pruned to eliminate duplicates Z: 14 13.324 1.704 1.084 0.885 1.000 1.000 CB 0.751 14 residues pruned to eliminate duplicates Z: 7 4.206 1.371 0.622 0.567 0.667 0.667 CB 1.086 7 residues pruned to eliminate duplicates Z: 19 15.217 1.633 0.610 0.692 0.889 0.444 CB 1.287 16 residues pruned to eliminate duplicates Z: 16 18.600 1.667 0.713 0.825 1.000 0.533 N 1.269 16 residues pruned to eliminate duplicates Z: 16 11.545 1.618 0.862 0.555 0.933 0.333 CB 1.005 16 residues pruned to eliminate duplicates Z: 16 19.075 1.678 0.646 0.865 1.000 0.600 CB 1.307 16 residues pruned to eliminate duplicates Z: 15 15.039 1.705 0.506 0.734 1.000 0.786 CB 1.269 15 residues pruned to eliminate duplicates Z: 19 13.474 1.599 0.792 0.524 0.889 0.500 N 1.217 19 residues pruned to eliminate duplicates Z: 14 18.676 1.747 0.531 0.856 1.000 0.692 CB 1.428 14 residues pruned to eliminate duplicates Z: 16 16.432 1.748 0.491 0.791 1.000 0.800 CB 1.261 16 residues pruned to eliminate duplicates Z: 15 15.125 1.752 0.450 0.794 0.929 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 15 13.957 1.720 0.335 0.776 0.929 0.714 CB 1.371 15 residues pruned to eliminate duplicates Z: 17 16.288 1.683 0.322 0.769 1.000 0.875 CB 1.443 17 residues pruned to eliminate duplicates Z: 17 13.891 1.660 0.243 0.772 0.938 0.750 N 1.411 17 residues pruned to eliminate duplicates Z: 7 4.210 1.449 0.507 0.487 0.667 0.500 O 1.196 7 residues pruned to eliminate duplicates Z: 22 12.427 1.639 0.616 0.569 0.905 0.571 CB 1.059 22 residues pruned to eliminate duplicates Z: 7 8.247 1.645 0.496 0.733 0.833 0.667 N 1.331 7 residues pruned to eliminate duplicates Z: 11 13.574 1.801 0.560 0.919 1.000 0.800 CB 1.077 11 residues pruned to eliminate duplicates Z: 11 11.822 1.777 0.513 0.910 1.000 0.900 CB 0.986 11 residues pruned to eliminate duplicates Z: 14 8.764 1.621 0.714 0.772 0.846 0.769 CB 0.813 14 residues pruned to eliminate duplicates Z: 23 19.141 1.784 0.557 0.911 1.000 0.818 CB 1.041 23 residues pruned to eliminate duplicates Z: 12 13.774 1.811 0.825 0.784 0.909 0.727 CB 1.077 12 residues pruned to eliminate duplicates Z: 11 11.656 1.691 0.684 0.673 0.900 0.800 CB 1.226 11 residues pruned to eliminate duplicates Z: 18 12.310 1.594 0.724 0.730 0.882 0.647 CB 1.002 17 residues pruned to eliminate duplicates Z: 21 17.618 1.765 0.719 0.858 0.950 0.700 CB 1.007 21 residues pruned to eliminate duplicates Z: 19 14.827 1.720 0.517 0.698 0.889 0.556 CB 1.259 19 residues pruned to eliminate duplicates Z: 11 9.199 1.719 0.819 0.714 0.800 0.600 CB 0.958 11 residues pruned to eliminate duplicates Z: 18 16.517 1.739 0.832 0.814 0.882 0.706 CB 1.085 18 residues pruned to eliminate duplicates Z: 16 17.588 1.814 0.843 0.876 0.800 0.667 CB 1.234 16 residues pruned to eliminate duplicates Z: 8 8.690 1.704 0.429 0.719 1.000 0.571 CB 1.107 8 residues pruned to eliminate duplicates Z: 23 24.668 1.776 0.841 0.893 1.000 0.591 CB 1.155 23 residues pruned to eliminate duplicates Z: 25 22.700 1.756 0.830 0.883 1.000 0.625 CB 1.043 25 residues pruned to eliminate duplicates Z: 12 10.698 1.719 0.800 0.761 0.818 0.636 CB 1.011 12 residues pruned to eliminate duplicates Z: 14 12.273 1.633 0.613 0.812 0.923 0.692 CB 1.067 14 residues pruned to eliminate duplicates Z: 27 13.550 1.654 0.653 0.618 0.808 0.577 CB 1.076 27 residues pruned to eliminate duplicates Z: 12 16.435 1.788 0.715 0.881 0.909 0.818 CB 1.287 12 residues pruned to eliminate duplicates Z: 13 15.643 1.827 0.600 0.853 1.000 0.750 CB 1.142 13 residues pruned to eliminate duplicates Z: 20 19.510 1.717 1.017 0.877 0.842 0.526 CB 1.114 20 residues pruned to eliminate duplicates Z: 20 19.755 1.771 0.995 0.834 0.895 0.684 CB 1.074 20 residues pruned to eliminate duplicates Z: 11 15.920 1.852 0.726 0.826 0.900 0.400 CB 1.319 11 residues pruned to eliminate duplicates Z: 11 7.519 1.541 0.350 0.500 0.900 0.300 N 1.269 8 residues pruned to eliminate duplicates Z: 7 10.023 1.582 0.751 0.695 1.000 0.333 CA 1.237 9 residues pruned to eliminate duplicates Z: 8 7.248 1.443 0.646 0.673 1.000 0.571 CB 0.983 8 residues pruned to eliminate duplicates Z: 10 7.057 1.525 0.586 0.423 0.889 0.333 N 1.186 10 residues pruned to eliminate duplicates Z: 10 8.711 1.548 0.566 0.475 1.000 0.222 CA 1.229 9 residues pruned to eliminate duplicates Z: 8 7.861 1.556 0.682 0.465 0.857 0.286 O 1.372 8 residues pruned to eliminate duplicates Z: 6 4.093 1.631 0.624 0.297 0.800 0.000 N 1.084 6 residues pruned to eliminate duplicates Z: 18 9.913 1.549 0.671 0.422 0.765 0.471 CB 1.317 17 residues pruned to eliminate duplicates Z: 7 5.756 1.520 0.871 0.665 0.833 0.500 CB 0.851 7 residues pruned to eliminate duplicates Z: 7 5.725 1.616 0.817 0.556 0.833 0.667 CB 0.904 7 residues pruned to eliminate duplicates Z: 9 4.594 1.569 0.475 0.669 0.750 0.500 CB 0.800 9 residues pruned to eliminate duplicates Z: 8 5.448 1.603 0.380 0.829 0.857 0.571 CB 0.818 8 residues pruned to eliminate duplicates Z: 10 11.370 1.567 0.849 0.791 1.000 0.667 CB 1.014 10 residues pruned to eliminate duplicates Z: 10 6.754 1.561 0.437 0.789 0.889 0.556 CB 0.876 10 residues pruned to eliminate duplicates Z: 11 9.166 1.530 0.552 0.751 0.900 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 9 9.439 1.627 0.700 0.683 0.875 0.375 CB 1.165 9 residues pruned to eliminate duplicates Z: 11 11.615 1.598 0.961 0.787 0.900 0.600 CB 1.012 11 residues pruned to eliminate duplicates Z: 13 9.238 1.556 0.895 0.689 0.750 0.500 CB 1.014 13 residues pruned to eliminate duplicates Z: 13 5.441 1.628 0.380 0.318 0.833 0.500 CB 1.025 13 residues pruned to eliminate duplicates Z: 12 8.094 1.676 0.405 0.535 1.000 0.545 CB 1.001 Z: 15 15.054 1.719 0.811 0.873 1.000 0.929 CB 0.941 24 residues pruned to eliminate duplicates Z: 15 15.228 1.682 0.571 0.880 1.000 0.857 CB 1.116 15 residues pruned to eliminate duplicates Z: 7 7.252 1.732 0.534 0.889 1.000 0.667 CB 0.803 11 residues pruned to eliminate duplicates Z: 14 10.427 1.723 0.449 0.722 0.846 0.692 CB 1.120 14 residues pruned to eliminate duplicates Z: 17 14.209 1.804 0.565 0.698 0.938 0.688 CB 1.120 16 residues pruned to eliminate duplicates Z: 17 17.388 1.738 0.593 0.822 1.000 0.875 CB 1.188 17 residues pruned to eliminate duplicates Z: 17 13.871 1.819 0.661 0.666 0.875 0.625 CB 1.125 16 residues pruned to eliminate duplicates Z: 15 13.647 1.712 0.414 0.836 1.000 0.786 CB 1.127 15 residues pruned to eliminate duplicates Z: 9 9.509 1.842 0.552 0.775 0.875 0.500 CB 1.054 9 residues pruned to eliminate duplicates Z: 15 12.516 1.824 0.763 0.744 0.929 0.714 CB 0.900 15 residues pruned to eliminate duplicates Z: 24 16.954 1.710 0.921 0.607 0.826 0.522 CB 1.176 31 residues pruned to eliminate duplicates Z: 15 16.245 1.759 0.786 0.897 1.000 0.714 CB 0.989 15 residues pruned to eliminate duplicates Z: 13 12.202 1.698 0.763 0.757 1.000 0.333 CB 0.936 13 residues pruned to eliminate duplicates Z: 12 10.702 1.704 0.886 0.698 0.909 0.273 CB 0.921 12 residues pruned to eliminate duplicates 919 residues left after pruning, divided into chains as follows: A: 12 B: 14 C: 6 D: 6 E: 15 F: 12 G: 21 H: 15 I: 24 J: 12 K: 12 L: 15 M: 16 N: 6 O: 6 P: 28 Q: 11 R: 19 S: 10 T: 12 U: 14 V: 8 W: 15 X: 29 Y: 26 Z: 15 Z: 33 Z: 18 Z: 41 Z: 85 Z: 13 Z: 70 Z: 7 Z: 25 Z: 10 Z: 22 Z: 9 Z: 14 Z: 25 Z: 34 Z: 15 Z: 14 Z: 31 Z: 14 Z: 23 Z: 37 CC for partial structure against native data = 29.09 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.414, Connect. = 0.655 for dens.mod. cycle 1 = 0.300, Contrast = 0.477, Connect. = 0.681 for dens.mod. cycle 2 = 0.300, Contrast = 0.549, Connect. = 0.712 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.716 for dens.mod. cycle 4 = 0.300, Contrast = 0.564, Connect. = 0.720 for dens.mod. cycle 5 = 0.300, Contrast = 0.569, Connect. = 0.723 for dens.mod. cycle 6 = 0.300, Contrast = 0.574, Connect. = 0.726 for dens.mod. cycle 7 = 0.300, Contrast = 0.577, Connect. = 0.728 for dens.mod. cycle 8 = 0.300, Contrast = 0.579, Connect. = 0.730 for dens.mod. cycle 9 = 0.300, Contrast = 0.580, Connect. = 0.731 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.71 - 4.50 - 3.92 - 3.55 - 3.29 - 3.10 - 2.94 - 2.81 - 2.70 - 2.60 0.649 0.676 0.688 0.695 0.671 0.656 0.632 0.606 0.552 0.528 0.776 0.816 0.834 0.855 0.836 0.823 0.807 0.778 0.725 0.697 N 5259 5291 5257 5338 5341 5089 5385 5281 5290 5047 Estimated mean FOM = 0.636 Pseudo-free CC = 65.85 % Best trace (cycle 2 with CC 34.49%) was saved as ./1vkm-2.6-parrot-noncs/1vkm-2.6-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.5 - Setup, data input and phasing 7.0 - FFTs and peak-searches 20.4 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 1000.5 - Tripeptide search 5952.4 - Chain tracing 0.0 - NCS analysis 87.9 - B-value refinement for trace 0.5 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:45:30 Total time: 7069.69 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 118.61 Used memory is bytes: 34868736