++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:58:33 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: ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.ins Phases from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi Native data from ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.hkl Listing output to ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.lst Phases output to ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phs Poly-Ala trace output to ./1vme-1.8-parrot-noncs/1vme-1.8-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 1 21 1 Allowed origin shift code: 2 81222 Reflections read from file ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.phi 81222 Reflections read from file ./1vme-1.8-parrot-noncs/1vme-1.8-parrot-noncs.hkl 81222 Unique data, highest resolution = 1.802 Angstroms Anisotropic scaling: intensities multiplied by 0.000085h^2 +0.000173k^2 -0.000160l^2 +0.000000kl -0.001672hl +0.000000hk 137 Reflections with d > 2.002 and 0 in range 2.002 > d > 1.802 added Density sharpening factor set to 1.05 Fourier grid = 128 x 256 x 75 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.712 = 0.276, Contrast = 0.084, Connect. = 0.585 for dens.mod. cycle 1 = 0.299, Contrast = 0.304, Connect. = 0.668 for dens.mod. cycle 2 = 0.300, Contrast = 0.520, Connect. = 0.758 for dens.mod. cycle 3 = 0.300, Contrast = 0.614, Connect. = 0.787 for dens.mod. cycle 4 = 0.300, Contrast = 0.662, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.689, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 0.705, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.716, Connect. = 0.813 for dens.mod. cycle 8 = 0.300, Contrast = 0.723, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.727, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3841 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 970 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 50.710 2.418 1.244 0.928 1.000 0.929 CB 1.749 B: 16 42.024 2.270 1.326 0.870 0.867 0.800 CB 1.732 16 residues pruned to eliminate duplicates C: 11 34.811 2.495 0.801 0.847 1.000 0.500 CA 1.819 D: 15 48.191 2.419 1.317 0.934 0.929 0.929 CB 1.726 E: 19 26.036 2.297 1.192 0.500 0.778 0.611 CB 1.567 F: 12 21.841 2.258 0.850 0.878 0.818 0.545 CA 1.398 12 residues pruned to eliminate duplicates G: 21 45.573 2.321 1.011 0.892 0.950 0.850 CA 1.650 H: 14 51.455 2.416 1.369 0.937 1.000 1.000 CA 1.735 15 residues pruned to eliminate duplicates I: 13 29.662 2.173 1.292 0.810 0.917 0.667 CB 1.432 J: 11 25.817 2.335 0.849 0.811 0.900 0.700 CA 1.603 K: 38 42.184 2.269 0.551 0.865 0.946 0.811 CB 1.526 21 residues pruned to eliminate duplicates L: 38 51.259 2.305 0.772 0.868 0.973 0.649 CB 1.549 38 residues pruned to eliminate duplicates M: 15 51.666 2.379 1.462 0.914 1.000 0.929 CA 1.667 15 residues pruned to eliminate duplicates N: 11 22.618 2.283 0.855 0.794 0.900 0.700 CA 1.449 11 residues pruned to eliminate duplicates O: 38 48.242 2.281 0.641 0.882 0.973 0.757 CB 1.575 38 residues pruned to eliminate duplicates P: 14 55.737 2.457 1.535 0.941 1.000 0.923 CA 1.722 15 residues pruned to eliminate duplicates Q: 13 18.599 2.028 0.986 0.798 0.833 0.833 CB 1.233 13 residues pruned to eliminate duplicates R: 15 54.106 2.338 1.602 0.927 1.000 0.857 CB 1.666 14 residues pruned to eliminate duplicates S: 23 26.952 2.285 0.871 0.392 0.909 0.500 CB 1.657 T: 15 31.487 2.168 0.984 0.829 0.929 0.714 CB 1.584 11 residues pruned to eliminate duplicates U: 16 39.335 2.258 1.266 0.919 0.867 0.667 CA 1.613 16 residues pruned to eliminate duplicates V: 21 42.355 2.258 0.908 0.917 0.950 0.750 CA 1.632 21 residues pruned to eliminate duplicates W: 31 37.076 2.327 0.913 0.514 0.900 0.700 CB 1.666 11 residues pruned to eliminate duplicates X: 29 47.021 2.406 1.019 0.586 1.000 0.750 CB 1.684 15 residues pruned to eliminate duplicates Y: 20 43.549 2.202 1.154 0.943 1.000 0.789 CB 1.459 Z: 16 28.669 1.987 0.724 0.946 1.000 0.800 CB 1.494 Z: 15 30.125 2.160 0.935 0.721 1.000 0.500 CA 1.578 15 residues pruned to eliminate duplicates Z: 7 10.369 2.071 0.554 0.555 0.833 0.667 CB 1.497 Z: 13 20.279 2.152 0.819 0.400 1.000 0.750 CA 1.661 Z: 30 26.923 2.213 0.711 0.497 0.828 0.517 CB 1.601 30 residues pruned to eliminate duplicates Z: 14 12.047 1.852 1.002 0.364 0.923 0.538 CB 1.130 Z: 22 39.553 2.139 0.932 0.914 1.000 0.667 CB 1.477 22 residues pruned to eliminate duplicates Z: 39 31.876 2.081 0.807 0.632 0.895 0.711 CB 1.358 14 residues pruned to eliminate duplicates Z: 17 26.369 2.169 0.883 0.799 0.875 0.562 CB 1.420 Z: 22 36.966 2.085 1.200 0.880 0.952 0.714 CB 1.337 22 residues pruned to eliminate duplicates Z: 28 27.741 2.294 1.051 0.343 0.852 0.407 CB 1.580 30 residues pruned to eliminate duplicates Z: 12 20.677 2.038 0.918 0.839 1.000 0.545 CB 1.191 14 residues pruned to eliminate duplicates Z: 25 25.648 2.309 0.857 0.321 0.875 0.500 CB 1.700 26 residues pruned to eliminate duplicates Z: 15 47.292 2.416 1.201 0.904 1.000 0.786 CB 1.692 15 residues pruned to eliminate duplicates Z: 58 43.592 2.136 0.921 0.571 0.860 0.596 CB 1.528 30 residues pruned to eliminate duplicates Z: 13 21.473 2.172 0.630 0.845 0.917 0.833 CB 1.420 Z: 15 52.589 2.372 1.487 0.918 1.000 0.857 CB 1.681 15 residues pruned to eliminate duplicates Z: 15 34.758 2.266 1.005 0.925 1.000 0.857 CB 1.434 17 residues pruned to eliminate duplicates Z: 15 52.209 2.391 1.466 0.900 1.000 0.929 CA 1.691 15 residues pruned to eliminate duplicates Z: 20 35.583 2.327 0.564 0.911 0.947 0.842 CA 1.678 20 residues pruned to eliminate duplicates Z: 20 19.186 2.142 0.904 0.505 0.895 0.579 CB 1.200 20 residues pruned to eliminate duplicates Z: 11 19.805 2.091 0.703 0.872 0.900 0.600 CB 1.424 11 residues pruned to eliminate duplicates Z: 30 41.337 2.261 1.069 0.576 0.966 0.724 CB 1.579 20 residues pruned to eliminate duplicates Z: 36 34.487 2.210 0.888 0.505 0.886 0.629 CB 1.569 34 residues pruned to eliminate duplicates Z: 15 30.699 2.248 0.760 0.902 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 7 13.610 1.745 0.758 0.806 1.000 0.833 CA 1.386 Z: 15 50.250 2.283 1.427 0.867 1.000 0.714 CA 1.773 15 residues pruned to eliminate duplicates Z: 15 19.164 2.131 0.773 0.735 0.929 0.643 CB 1.182 15 residues pruned to eliminate duplicates Z: 30 25.242 2.199 0.794 0.389 0.897 0.483 CB 1.490 15 residues pruned to eliminate duplicates Z: 40 27.557 1.962 0.793 0.593 0.872 0.564 CB 1.317 40 residues pruned to eliminate duplicates Z: 12 24.285 2.207 0.528 0.919 1.000 0.909 CB 1.530 Z: 85 46.893 2.158 0.857 0.529 0.917 0.583 CB 1.353 23 residues pruned to eliminate duplicates Z: 6 4.795 1.504 0.369 0.620 0.800 0.200 CA 1.163 6 residues pruned to eliminate duplicates Z: 16 12.511 2.136 0.795 0.394 0.733 0.533 CB 1.284 Z: 38 49.467 2.263 0.743 0.893 0.946 0.811 CB 1.564 38 residues pruned to eliminate duplicates Z: 14 55.711 2.485 1.384 0.954 1.000 0.923 CB 1.794 14 residues pruned to eliminate duplicates Z: 26 21.321 2.197 0.778 0.437 0.800 0.320 CB 1.457 30 residues pruned to eliminate duplicates Z: 29 44.264 2.365 0.985 0.574 0.964 0.679 CB 1.721 30 residues pruned to eliminate duplicates Z: 20 23.230 2.190 0.891 0.454 0.842 0.474 CB 1.602 20 residues pruned to eliminate duplicates Z: 16 31.304 1.985 0.852 0.949 1.000 0.733 CB 1.518 16 residues pruned to eliminate duplicates Z: 38 44.975 2.272 0.663 0.885 0.919 0.838 CB 1.537 38 residues pruned to eliminate duplicates Z: 15 37.376 2.298 1.043 0.884 1.000 0.929 CA 1.537 15 residues pruned to eliminate duplicates Z: 14 17.416 2.087 0.809 0.753 0.846 0.615 CB 1.206 14 residues pruned to eliminate duplicates Z: 37 46.306 2.294 0.680 0.861 0.944 0.667 CB 1.557 37 residues pruned to eliminate duplicates Z: 15 36.036 2.284 1.067 0.934 1.000 0.929 CB 1.423 15 residues pruned to eliminate duplicates Z: 18 31.428 2.209 0.906 0.768 0.941 0.824 CB 1.518 15 residues pruned to eliminate duplicates Z: 24 29.823 2.315 1.024 0.459 0.826 0.435 CB 1.675 20 residues pruned to eliminate duplicates Z: 15 37.889 2.299 1.154 0.946 1.000 0.929 CB 1.414 15 residues pruned to eliminate duplicates Z: 21 32.119 2.189 0.658 0.883 1.000 0.750 CB 1.431 21 residues pruned to eliminate duplicates Z: 14 34.116 2.199 1.079 0.872 1.000 0.692 CA 1.509 14 residues pruned to eliminate duplicates Z: 83 45.417 2.167 0.982 0.488 0.866 0.549 CB 1.365 32 residues pruned to eliminate duplicates Z: 31 27.772 2.203 0.739 0.456 0.867 0.500 CB 1.598 31 residues pruned to eliminate duplicates Z: 7 19.537 2.191 1.196 0.614 1.000 0.667 CA 1.488 Z: 13 28.046 2.162 0.864 0.820 0.917 0.750 CA 1.660 Z: 70 57.489 2.230 1.123 0.589 0.942 0.594 CB 1.425 83 residues pruned to eliminate duplicates Z: 15 44.941 2.308 1.227 0.922 1.000 1.000 CA 1.643 15 residues pruned to eliminate duplicates Z: 27 27.625 2.024 0.950 0.537 0.962 0.654 CB 1.377 18 residues pruned to eliminate duplicates Z: 15 30.874 2.253 0.767 0.930 1.000 0.929 CB 1.449 15 residues pruned to eliminate duplicates Z: 20 35.867 2.203 0.816 0.917 1.000 0.842 CB 1.452 20 residues pruned to eliminate duplicates Z: 12 31.584 2.419 0.921 0.812 0.909 0.727 CA 1.718 12 residues pruned to eliminate duplicates Z: 18 21.803 2.110 0.414 0.837 1.000 0.882 CB 1.325 18 residues pruned to eliminate duplicates Z: 35 40.182 2.251 0.997 0.498 0.971 0.676 CB 1.583 31 residues pruned to eliminate duplicates Z: 14 28.038 2.268 1.088 0.595 0.923 0.615 CB 1.625 14 residues pruned to eliminate duplicates Z: 21 29.028 2.285 1.006 0.366 0.950 0.350 CB 1.721 25 residues pruned to eliminate duplicates Z: 15 40.770 2.281 1.100 0.924 1.000 0.929 CA 1.598 15 residues pruned to eliminate duplicates Z: 29 18.711 2.225 0.611 0.488 0.714 0.393 CB 1.398 29 residues pruned to eliminate duplicates Z: 21 22.623 2.147 0.948 0.536 0.900 0.600 CB 1.298 28 residues pruned to eliminate duplicates Z: 13 23.758 2.151 0.630 0.891 0.917 0.833 CA 1.534 13 residues pruned to eliminate duplicates Z: 32 46.841 2.356 1.070 0.592 0.935 0.645 CB 1.687 32 residues pruned to eliminate duplicates Z: 16 26.257 2.145 0.959 0.741 0.933 0.600 CB 1.392 16 residues pruned to eliminate duplicates Z: 14 32.458 2.273 0.857 0.853 1.000 0.769 CB 1.576 14 residues pruned to eliminate duplicates Z: 10 29.035 2.308 0.929 0.904 1.000 0.778 CA 1.549 10 residues pruned to eliminate duplicates Z: 17 29.386 1.876 0.823 0.929 1.000 0.625 CB 1.503 17 residues pruned to eliminate duplicates Z: 14 29.684 2.294 0.782 0.876 0.923 0.769 CB 1.585 14 residues pruned to eliminate duplicates Z: 15 24.946 2.024 0.749 0.819 0.929 0.571 CA 1.538 Z: 21 34.872 2.208 0.928 0.898 0.950 0.650 CB 1.379 21 residues pruned to eliminate duplicates Z: 15 47.701 2.330 1.389 0.922 0.929 0.929 CB 1.734 15 residues pruned to eliminate duplicates Z: 15 13.345 1.896 0.648 0.407 0.929 0.643 CB 1.355 Z: 64 48.436 2.277 0.999 0.527 0.857 0.556 CB 1.523 64 residues pruned to eliminate duplicates Z: 38 39.707 2.180 0.599 0.875 0.919 0.784 CB 1.483 38 residues pruned to eliminate duplicates Z: 14 43.797 2.366 1.317 0.871 0.923 0.923 CB 1.751 14 residues pruned to eliminate duplicates Z: 83 58.364 2.252 0.806 0.606 0.951 0.683 CB 1.507 60 residues pruned to eliminate duplicates Z: 37 29.322 2.091 0.769 0.618 0.861 0.667 CB 1.373 37 residues pruned to eliminate duplicates Z: 24 37.608 2.288 1.153 0.585 0.957 0.652 CB 1.534 24 residues pruned to eliminate duplicates Z: 22 19.582 2.170 1.001 0.522 0.905 0.667 CB 1.065 22 residues pruned to eliminate duplicates Z: 13 22.840 2.148 0.713 0.872 1.000 0.750 CB 1.306 13 residues pruned to eliminate duplicates Z: 14 14.949 2.012 0.671 0.407 1.000 0.615 CB 1.360 15 residues pruned to eliminate duplicates Z: 69 48.071 2.145 1.091 0.575 0.868 0.574 CB 1.394 37 residues pruned to eliminate duplicates Z: 14 27.937 2.201 0.957 0.804 0.923 0.615 CB 1.495 14 residues pruned to eliminate duplicates Z: 14 19.564 2.116 0.713 0.798 0.846 0.538 CA 1.363 14 residues pruned to eliminate duplicates Z: 21 19.000 2.045 0.707 0.552 0.850 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 14 33.283 2.146 1.003 0.820 1.000 0.692 CA 1.627 14 residues pruned to eliminate duplicates Z: 39 28.417 2.202 0.660 0.403 0.868 0.500 CB 1.608 53 residues pruned to eliminate duplicates Z: 24 23.008 2.120 1.097 0.489 0.913 0.565 CB 1.195 24 residues pruned to eliminate duplicates Z: 17 26.026 1.889 0.652 0.944 1.000 0.688 CA 1.443 17 residues pruned to eliminate duplicates Z: 15 45.878 2.321 1.337 0.914 0.929 0.643 CA 1.722 15 residues pruned to eliminate duplicates Z: 39 34.312 2.100 0.920 0.612 0.921 0.632 CB 1.348 39 residues pruned to eliminate duplicates Z: 13 15.275 2.136 0.646 0.399 0.833 0.750 CA 1.673 13 residues pruned to eliminate duplicates Z: 8 13.209 1.927 0.960 0.544 1.000 0.571 CB 1.266 Z: 16 24.720 2.068 0.551 0.938 0.933 0.733 CB 1.482 16 residues pruned to eliminate duplicates Z: 10 10.992 1.866 1.207 0.461 0.778 0.556 CB 1.191 10 residues pruned to eliminate duplicates Z: 20 39.219 2.232 0.911 0.906 1.000 0.842 CB 1.501 20 residues pruned to eliminate duplicates Z: 14 27.792 2.080 1.029 0.843 0.923 0.769 CB 1.473 14 residues pruned to eliminate duplicates Z: 16 28.332 1.973 0.863 0.934 0.933 0.600 CB 1.486 16 residues pruned to eliminate duplicates Z: 7 4.942 1.694 0.739 0.688 0.667 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 18 32.519 2.175 0.905 0.797 1.000 0.647 CB 1.467 18 residues pruned to eliminate duplicates Z: 13 14.571 1.965 0.905 0.337 1.000 0.750 CB 1.342 Z: 16 25.691 1.992 0.504 0.949 1.000 0.867 CB 1.528 16 residues pruned to eliminate duplicates Z: 17 12.538 2.001 0.588 0.343 0.875 0.375 CB 1.337 17 residues pruned to eliminate duplicates Z: 10 7.493 1.933 0.605 0.379 0.778 0.667 CB 1.178 10 residues pruned to eliminate duplicates Z: 16 23.411 1.894 0.670 0.937 1.000 0.933 CB 1.330 Z: 27 30.183 2.245 1.026 0.499 0.846 0.615 CB 1.540 26 residues pruned to eliminate duplicates Z: 16 22.437 2.102 0.887 0.788 0.867 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 15 36.627 2.395 0.903 0.905 1.000 0.857 CB 1.528 15 residues pruned to eliminate duplicates Z: 6 3.530 1.464 0.087 0.833 0.800 0.800 CA 0.930 6 residues pruned to eliminate duplicates Z: 13 17.847 2.172 1.158 0.399 0.833 0.417 CB 1.468 21 residues pruned to eliminate duplicates Z: 15 23.329 2.079 0.502 0.930 1.000 1.000 CB 1.396 15 residues pruned to eliminate duplicates Z: 15 47.706 2.379 1.221 0.919 1.000 0.929 CB 1.700 15 residues pruned to eliminate duplicates Z: 16 30.649 2.172 1.137 0.763 0.933 0.533 CB 1.446 16 residues pruned to eliminate duplicates Z: 8 6.292 1.696 0.600 0.435 0.857 0.714 CB 1.093 5 residues pruned to eliminate duplicates Z: 21 24.663 1.959 0.778 0.583 1.000 0.850 CB 1.462 Z: 37 32.829 2.079 0.874 0.535 0.917 0.556 CB 1.480 34 residues pruned to eliminate duplicates Z: 26 39.295 2.282 1.156 0.595 0.840 0.560 CA 1.736 26 residues pruned to eliminate duplicates Z: 6 12.714 1.749 0.721 0.880 1.000 0.800 CA 1.368 6 residues pruned to eliminate duplicates Z: 120 55.915 2.189 0.899 0.502 0.874 0.546 CB 1.408 135 residues pruned to eliminate duplicates Z: 17 23.459 1.978 0.489 0.923 1.000 0.812 CB 1.399 17 residues pruned to eliminate duplicates Z: 17 41.982 2.202 1.338 0.860 0.938 0.750 CB 1.599 17 residues pruned to eliminate duplicates Z: 16 31.345 1.983 0.863 0.952 1.000 0.533 CB 1.509 16 residues pruned to eliminate duplicates Z: 63 52.488 2.239 0.965 0.508 0.887 0.581 CB 1.695 43 residues pruned to eliminate duplicates Z: 19 11.453 2.018 0.645 0.419 0.778 0.556 CB 1.138 19 residues pruned to eliminate duplicates Z: 22 33.556 2.183 0.757 0.894 0.952 0.857 CB 1.438 22 residues pruned to eliminate duplicates Z: 15 38.769 2.222 1.181 0.926 1.000 0.643 CB 1.499 15 residues pruned to eliminate duplicates Z: 14 32.334 2.290 0.963 0.834 0.923 0.769 CB 1.621 14 residues pruned to eliminate duplicates Z: 30 41.334 2.355 1.131 0.484 0.931 0.621 CB 1.670 30 residues pruned to eliminate duplicates Z: 16 27.430 2.131 0.869 0.763 1.000 0.533 CB 1.408 Z: 13 27.126 2.112 1.021 0.876 0.833 0.750 CA 1.600 13 residues pruned to eliminate duplicates Z: 18 26.557 1.953 0.758 0.909 1.000 0.882 CB 1.332 23 residues pruned to eliminate duplicates Z: 14 27.026 2.228 0.921 0.823 0.923 0.615 CB 1.434 14 residues pruned to eliminate duplicates Z: 15 44.713 2.278 1.395 0.924 0.929 0.643 CA 1.657 15 residues pruned to eliminate duplicates Z: 13 16.742 2.154 0.286 0.871 0.917 0.833 CB 1.389 13 residues pruned to eliminate duplicates Z: 9 20.194 1.999 1.203 0.663 1.000 0.625 CA 1.394 10 residues pruned to eliminate duplicates Z: 9 35.770 2.372 1.266 0.888 1.000 1.000 CB 1.695 8 residues pruned to eliminate duplicates Z: 6 5.349 1.852 0.425 0.385 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 10 13.412 1.938 0.536 0.907 0.889 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 37 34.154 2.194 0.894 0.480 0.861 0.639 CB 1.624 66 residues pruned to eliminate duplicates Z: 31 47.036 2.245 1.119 0.608 1.000 0.633 CB 1.630 32 residues pruned to eliminate duplicates Z: 17 28.912 1.841 0.864 0.923 1.000 0.688 CA 1.480 17 residues pruned to eliminate duplicates Z: 15 29.233 2.180 0.798 0.841 1.000 0.643 CB 1.486 14 residues pruned to eliminate duplicates Z: 17 19.083 2.147 0.925 0.478 0.938 0.688 CB 1.258 17 residues pruned to eliminate duplicates Z: 13 31.504 2.302 0.833 0.877 1.000 1.000 CA 1.566 13 residues pruned to eliminate duplicates Z: 17 21.042 1.998 0.351 0.920 1.000 0.750 CB 1.372 17 residues pruned to eliminate duplicates Z: 34 27.025 2.154 0.770 0.391 0.909 0.485 CB 1.523 37 residues pruned to eliminate duplicates Z: 42 30.836 2.051 0.805 0.597 0.902 0.634 CB 1.314 42 residues pruned to eliminate duplicates Z: 12 21.923 2.233 1.080 0.777 0.727 0.636 CB 1.532 12 residues pruned to eliminate duplicates Z: 16 23.892 2.182 0.845 0.595 0.933 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 13 15.212 2.217 0.722 0.401 0.833 0.417 CB 1.532 13 residues pruned to eliminate duplicates Z: 23 41.638 2.167 0.936 0.898 1.000 0.773 CB 1.513 23 residues pruned to eliminate duplicates Z: 16 33.257 2.200 0.959 0.773 1.000 0.800 CB 1.565 16 residues pruned to eliminate duplicates Z: 14 28.362 2.093 0.808 0.934 1.000 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 45 34.143 2.099 0.706 0.577 0.909 0.636 CB 1.468 21 residues pruned to eliminate duplicates Z: 14 12.846 1.947 0.590 0.542 0.923 0.692 CB 1.196 14 residues pruned to eliminate duplicates Z: 17 32.971 1.969 1.015 0.944 1.000 0.750 CB 1.438 Z: 10 13.841 1.973 0.838 0.415 0.889 0.444 CB 1.565 10 residues pruned to eliminate duplicates Z: 13 22.668 2.142 0.920 0.437 1.000 0.833 CA 1.699 13 residues pruned to eliminate duplicates Z: 15 19.345 1.987 0.431 0.846 1.000 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 28 19.317 2.036 0.797 0.518 0.815 0.630 CB 1.225 28 residues pruned to eliminate duplicates Z: 21 46.639 2.324 1.093 0.917 0.950 0.750 CB 1.593 21 residues pruned to eliminate duplicates Z: 15 16.344 1.916 0.770 0.501 1.000 0.857 CB 1.287 12 residues pruned to eliminate duplicates Z: 20 39.893 2.211 0.960 0.911 1.000 0.789 CB 1.497 20 residues pruned to eliminate duplicates Z: 35 39.252 2.230 0.745 0.642 0.912 0.676 CB 1.662 36 residues pruned to eliminate duplicates Z: 21 45.181 2.324 0.885 0.889 1.000 0.750 CA 1.660 21 residues pruned to eliminate duplicates Z: 60 39.446 2.109 0.765 0.588 0.932 0.661 CB 1.360 49 residues pruned to eliminate duplicates Z: 108 60.980 2.169 0.986 0.557 0.935 0.570 CB 1.385 125 residues pruned to eliminate duplicates Z: 22 46.061 2.226 1.058 0.877 0.952 0.762 CA 1.673 22 residues pruned to eliminate duplicates Z: 8 3.255 1.513 0.248 0.378 1.000 0.571 CB 0.742 Z: 34 37.186 2.222 0.852 0.548 0.970 0.576 CB 1.548 34 residues pruned to eliminate duplicates Z: 9 21.831 1.980 1.056 0.658 1.000 0.875 CB 1.638 Z: 9 12.130 2.058 0.787 0.563 0.750 0.500 CA 1.463 9 residues pruned to eliminate duplicates Z: 100 56.925 2.190 1.019 0.544 0.909 0.586 CB 1.363 99 residues pruned to eliminate duplicates Z: 13 10.953 1.934 0.590 0.367 1.000 0.667 CB 1.187 Z: 15 35.461 2.104 1.092 0.837 1.000 0.643 CB 1.610 Z: 15 31.160 2.331 0.952 0.821 0.929 0.571 CB 1.493 15 residues pruned to eliminate duplicates Z: 13 25.007 2.147 1.288 0.796 0.833 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 19 13.885 2.024 0.942 0.449 0.778 0.556 CB 1.128 19 residues pruned to eliminate duplicates Z: 34 35.040 2.192 1.049 0.543 0.879 0.515 CB 1.482 49 residues pruned to eliminate duplicates Z: 25 33.920 2.222 1.049 0.569 0.917 0.708 CB 1.552 25 residues pruned to eliminate duplicates Z: 32 38.182 2.241 0.878 0.624 0.903 0.645 CA 1.604 32 residues pruned to eliminate duplicates Z: 20 47.735 2.369 0.828 0.938 1.000 0.842 CB 1.758 20 residues pruned to eliminate duplicates Z: 95 57.537 2.171 1.001 0.583 0.915 0.606 CB 1.379 96 residues pruned to eliminate duplicates Z: 14 20.101 2.019 0.588 0.844 1.000 0.923 CB 1.294 14 residues pruned to eliminate duplicates Z: 97 48.981 2.084 0.935 0.565 0.896 0.594 CB 1.300 83 residues pruned to eliminate duplicates Z: 12 45.742 2.511 1.068 0.920 1.000 1.000 CB 1.870 12 residues pruned to eliminate duplicates Z: 23 43.555 2.368 0.873 0.896 0.909 0.682 CB 1.650 23 residues pruned to eliminate duplicates Z: 30 19.821 2.016 0.619 0.451 0.897 0.586 CB 1.322 30 residues pruned to eliminate duplicates Z: 58 46.561 2.184 0.842 0.634 0.912 0.754 CB 1.482 61 residues pruned to eliminate duplicates Z: 41 35.751 2.168 0.896 0.591 0.900 0.525 CB 1.401 41 residues pruned to eliminate duplicates Z: 16 26.671 1.984 0.924 0.931 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 14 25.670 2.173 0.639 0.931 1.000 1.000 CB 1.397 14 residues pruned to eliminate duplicates Z: 11 25.223 2.248 1.086 0.810 1.000 0.700 CB 1.299 11 residues pruned to eliminate duplicates Z: 9 22.758 2.183 0.830 0.764 1.000 0.875 CB 1.593 9 residues pruned to eliminate duplicates Z: 17 22.263 1.953 0.664 0.901 0.938 0.688 CA 1.304 17 residues pruned to eliminate duplicates Z: 15 37.038 2.270 1.360 0.774 0.929 0.571 CB 1.562 15 residues pruned to eliminate duplicates Z: 29 41.517 2.292 0.968 0.620 0.929 0.714 CB 1.672 29 residues pruned to eliminate duplicates Z: 9 14.596 2.005 0.698 0.777 0.875 0.500 CB 1.356 9 residues pruned to eliminate duplicates Z: 18 17.802 2.143 0.913 0.411 0.882 0.412 CB 1.310 18 residues pruned to eliminate duplicates Z: 30 35.478 2.329 0.965 0.484 0.897 0.586 CB 1.632 30 residues pruned to eliminate duplicates Z: 117 61.986 2.190 0.819 0.593 0.922 0.664 CB 1.433 175 residues pruned to eliminate duplicates Z: 16 22.517 2.063 0.458 0.931 0.933 0.867 CB 1.447 16 residues pruned to eliminate duplicates Z: 14 29.005 2.282 0.751 0.928 1.000 0.923 CB 1.409 14 residues pruned to eliminate duplicates Z: 16 12.965 2.124 0.726 0.430 0.933 0.600 CB 1.053 16 residues pruned to eliminate duplicates Z: 59 40.917 2.127 0.887 0.628 0.879 0.621 CB 1.350 58 residues pruned to eliminate duplicates Z: 16 25.061 1.907 0.842 0.932 1.000 0.933 CB 1.287 16 residues pruned to eliminate duplicates Z: 26 30.086 2.215 0.896 0.626 0.800 0.680 CB 1.589 26 residues pruned to eliminate duplicates Z: 59 27.727 1.947 0.673 0.501 0.897 0.707 CB 1.246 57 residues pruned to eliminate duplicates Z: 15 32.100 2.205 0.998 0.806 1.000 0.714 CB 1.491 Z: 15 28.120 2.249 0.709 0.820 1.000 0.786 CB 1.481 Z: 15 31.155 2.242 0.988 0.844 0.929 0.500 CB 1.497 15 residues pruned to eliminate duplicates Z: 15 27.279 2.071 0.766 0.942 1.000 0.857 CB 1.382 15 residues pruned to eliminate duplicates Z: 16 26.781 1.988 0.544 0.947 1.000 0.933 CB 1.558 16 residues pruned to eliminate duplicates Z: 21 27.129 2.315 1.076 0.470 0.900 0.650 CB 1.446 21 residues pruned to eliminate duplicates Z: 17 33.919 2.007 1.137 0.933 1.000 0.438 CB 1.380 22 residues pruned to eliminate duplicates Z: 14 28.207 2.388 0.410 0.939 1.000 0.923 CB 1.614 14 residues pruned to eliminate duplicates Z: 84 50.226 2.182 0.954 0.555 0.880 0.627 CB 1.393 99 residues pruned to eliminate duplicates Z: 17 24.600 2.018 0.743 0.851 0.938 0.750 CB 1.381 Z: 32 33.669 2.104 0.978 0.536 0.903 0.613 CB 1.552 32 residues pruned to eliminate duplicates Z: 17 28.886 1.888 0.823 0.937 1.000 0.812 CA 1.460 16 residues pruned to eliminate duplicates Z: 49 47.534 2.289 0.860 0.564 0.896 0.646 CB 1.690 29 residues pruned to eliminate duplicates Z: 20 25.225 1.900 0.706 0.875 1.000 0.895 CB 1.299 20 residues pruned to eliminate duplicates Z: 13 12.868 2.136 1.064 0.455 0.750 0.500 CB 1.176 13 residues pruned to eliminate duplicates Z: 14 9.549 1.859 0.452 0.463 0.846 0.615 CB 1.204 Z: 70 44.373 2.202 0.971 0.527 0.841 0.565 CB 1.426 87 residues pruned to eliminate duplicates Z: 39 27.814 1.973 0.843 0.606 0.868 0.658 CB 1.291 39 residues pruned to eliminate duplicates Z: 29 42.506 2.235 1.044 0.570 1.000 0.643 CB 1.643 29 residues pruned to eliminate duplicates Z: 18 34.271 1.994 1.000 0.935 1.000 0.882 CB 1.452 18 residues pruned to eliminate duplicates Z: 11 14.862 2.020 0.773 0.538 0.900 0.600 CB 1.405 11 residues pruned to eliminate duplicates Z: 11 10.289 1.874 0.807 0.382 0.800 0.600 CA 1.363 11 residues pruned to eliminate duplicates Z: 21 33.038 2.205 0.815 0.890 0.950 0.750 CB 1.398 21 residues pruned to eliminate duplicates Z: 11 16.474 2.177 0.691 0.536 1.000 0.900 CB 1.366 11 residues pruned to eliminate duplicates Z: 16 16.274 1.962 0.277 0.916 1.000 0.933 CB 1.185 16 residues pruned to eliminate duplicates Z: 7 3.461 1.583 0.659 0.391 0.833 0.833 CB 0.724 7 residues pruned to eliminate duplicates Z: 6 22.111 2.421 1.085 0.721 1.000 1.000 CB 1.604 6 residues pruned to eliminate duplicates Z: 16 25.974 2.121 0.876 0.802 1.000 0.600 CB 1.295 16 residues pruned to eliminate duplicates Z: 11 25.871 2.239 1.134 0.859 0.900 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 80 56.564 2.272 0.757 0.620 0.949 0.671 CB 1.499 80 residues pruned to eliminate duplicates Z: 15 49.228 2.322 1.595 0.888 0.929 0.929 CA 1.694 15 residues pruned to eliminate duplicates Z: 28 48.624 2.309 1.000 0.716 0.963 0.704 CA 1.731 28 residues pruned to eliminate duplicates Z: 17 18.967 2.172 0.931 0.460 0.875 0.688 CB 1.346 17 residues pruned to eliminate duplicates Z: 17 30.835 1.893 1.125 0.912 1.000 0.562 CB 1.357 17 residues pruned to eliminate duplicates Z: 9 9.799 1.956 0.493 0.724 0.750 0.500 CB 1.293 9 residues pruned to eliminate duplicates Z: 13 11.569 1.860 0.888 0.830 0.917 0.667 CB 0.780 13 residues pruned to eliminate duplicates Z: 38 34.165 2.001 0.970 0.648 0.946 0.784 CB 1.312 38 residues pruned to eliminate duplicates Z: 17 26.736 2.011 0.648 0.916 1.000 0.875 CB 1.424 17 residues pruned to eliminate duplicates Z: 15 13.943 2.083 0.824 0.333 0.786 0.500 CB 1.499 15 residues pruned to eliminate duplicates Z: 10 15.505 1.920 0.892 0.644 0.889 0.778 CB 1.399 Z: 31 18.678 1.949 0.705 0.483 0.900 0.600 CB 1.159 31 residues pruned to eliminate duplicates Z: 36 33.337 2.058 0.795 0.837 0.943 0.714 CB 1.211 36 residues pruned to eliminate duplicates Z: 12 29.446 2.322 0.737 0.889 1.000 0.545 CA 1.585 12 residues pruned to eliminate duplicates Z: 11 19.130 2.149 0.927 0.402 1.000 0.500 CA 1.621 13 residues pruned to eliminate duplicates Z: 17 27.169 2.001 0.703 0.922 1.000 1.000 CB 1.402 17 residues pruned to eliminate duplicates Z: 18 25.774 1.958 0.706 0.928 1.000 1.000 CA 1.311 17 residues pruned to eliminate duplicates Z: 64 48.343 2.193 0.768 0.635 0.968 0.667 CB 1.429 64 residues pruned to eliminate duplicates Z: 17 27.281 2.089 0.901 0.801 0.938 0.750 CB 1.408 17 residues pruned to eliminate duplicates Z: 18 29.412 1.971 0.784 0.932 1.000 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 37 30.529 2.047 0.598 0.852 0.917 0.667 CB 1.256 37 residues pruned to eliminate duplicates Z: 16 26.446 1.974 0.619 0.930 1.000 0.667 CB 1.493 16 residues pruned to eliminate duplicates Z: 16 23.794 2.253 0.932 0.510 0.933 0.533 CB 1.497 16 residues pruned to eliminate duplicates Z: 17 12.897 2.026 0.693 0.541 0.750 0.625 CB 1.204 17 residues pruned to eliminate duplicates Z: 19 42.636 2.275 1.053 0.923 1.000 0.889 CB 1.512 19 residues pruned to eliminate duplicates Z: 40 32.260 2.052 1.112 0.608 0.846 0.564 CB 1.271 58 residues pruned to eliminate duplicates Z: 27 23.522 2.061 0.769 0.535 0.923 0.692 CB 1.324 27 residues pruned to eliminate duplicates Z: 15 24.614 2.121 0.606 0.916 1.000 0.857 CB 1.364 15 residues pruned to eliminate duplicates Z: 21 37.287 2.156 0.788 0.910 1.000 0.800 CB 1.535 21 residues pruned to eliminate duplicates Z: 15 27.089 2.043 0.806 0.946 1.000 0.857 CB 1.357 15 residues pruned to eliminate duplicates Z: 21 35.201 2.192 0.656 0.925 1.000 0.800 CB 1.521 21 residues pruned to eliminate duplicates Z: 14 28.021 2.141 0.902 0.939 1.000 0.923 CB 1.326 14 residues pruned to eliminate duplicates Z: 46 36.190 2.162 0.894 0.540 0.911 0.622 CB 1.390 46 residues pruned to eliminate duplicates Z: 11 11.525 2.024 0.469 0.934 1.000 0.900 CB 0.855 11 residues pruned to eliminate duplicates Z: 15 14.151 1.778 0.458 0.828 0.929 0.786 CB 1.183 Z: 13 15.419 2.275 0.925 0.293 0.833 0.333 CB 1.539 13 residues pruned to eliminate duplicates Z: 6 7.781 1.887 1.043 0.482 0.600 0.400 C 1.532 6 residues pruned to eliminate duplicates Z: 15 24.253 2.068 0.615 0.925 1.000 0.929 CB 1.362 15 residues pruned to eliminate duplicates Z: 14 30.952 2.291 0.954 0.872 0.923 0.846 CB 1.514 14 residues pruned to eliminate duplicates Z: 17 17.568 2.085 1.026 0.329 0.812 0.438 CA 1.543 17 residues pruned to eliminate duplicates Z: 22 34.984 2.214 0.938 0.878 0.905 0.714 CB 1.427 22 residues pruned to eliminate duplicates Z: 19 25.744 2.271 0.988 0.580 0.944 0.722 CB 1.317 19 residues pruned to eliminate duplicates Z: 14 38.493 2.377 1.051 0.930 1.000 0.846 CB 1.532 14 residues pruned to eliminate duplicates Z: 22 44.453 2.315 0.931 0.856 0.952 0.714 CB 1.680 22 residues pruned to eliminate duplicates Z: 11 4.086 1.584 0.490 0.281 0.700 0.400 CB 1.001 11 residues pruned to eliminate duplicates Z: 11 12.218 1.871 0.775 0.601 0.800 0.600 CB 1.321 11 residues pruned to eliminate duplicates Z: 14 23.255 2.135 0.919 0.497 1.000 0.538 CB 1.579 14 residues pruned to eliminate duplicates Z: 31 19.402 1.970 0.760 0.467 0.867 0.567 CB 1.219 31 residues pruned to eliminate duplicates Z: 8 5.605 1.671 0.292 0.506 0.857 0.429 N 1.138 Z: 15 11.078 1.742 0.280 0.805 0.929 0.786 CB 1.095 15 residues pruned to eliminate duplicates Z: 18 21.549 1.917 0.623 0.881 1.000 0.824 CB 1.217 18 residues pruned to eliminate duplicates Z: 13 4.941 1.739 0.089 0.551 0.750 0.417 CB 0.956 Z: 17 31.853 2.014 0.967 0.942 1.000 0.750 CB 1.394 Z: 33 32.193 2.093 0.699 0.838 0.906 0.656 CB 1.320 33 residues pruned to eliminate duplicates Z: 13 25.613 2.149 0.889 0.855 1.000 0.583 CB 1.344 13 residues pruned to eliminate duplicates Z: 21 15.749 1.945 0.909 0.477 0.900 0.700 CB 1.078 21 residues pruned to eliminate duplicates Z: 21 20.505 1.957 0.689 0.512 0.950 0.650 CB 1.443 21 residues pruned to eliminate duplicates Z: 15 27.605 1.965 0.948 0.916 0.929 0.429 CB 1.466 15 residues pruned to eliminate duplicates Z: 16 19.944 2.299 0.819 0.448 0.867 0.733 CB 1.499 16 residues pruned to eliminate duplicates Z: 6 10.146 2.100 0.646 0.658 0.800 0.800 CB 1.417 6 residues pruned to eliminate duplicates Z: 17 30.101 2.049 0.760 0.930 1.000 0.938 CB 1.460 17 residues pruned to eliminate duplicates Z: 21 24.121 1.989 0.874 0.486 1.000 0.650 CB 1.468 20 residues pruned to eliminate duplicates Z: 13 17.482 1.925 1.197 0.505 0.833 0.583 CB 1.425 13 residues pruned to eliminate duplicates Z: 22 18.613 1.918 0.706 0.711 0.952 0.714 CB 1.076 22 residues pruned to eliminate duplicates Z: 31 45.146 2.335 1.086 0.581 1.000 0.733 CB 1.565 33 residues pruned to eliminate duplicates Z: 35 35.044 2.014 1.113 0.656 0.882 0.471 CB 1.385 35 residues pruned to eliminate duplicates Z: 16 27.003 1.967 0.999 0.926 1.000 0.800 CB 1.243 16 residues pruned to eliminate duplicates Z: 9 13.024 2.015 0.385 0.805 0.875 0.875 CA 1.445 9 residues pruned to eliminate duplicates Z: 13 24.071 2.066 0.571 0.917 1.000 0.667 CB 1.511 13 residues pruned to eliminate duplicates Z: 17 29.900 2.000 0.825 0.936 1.000 0.875 CB 1.426 17 residues pruned to eliminate duplicates Z: 35 37.380 2.197 1.211 0.566 0.853 0.618 CB 1.451 35 residues pruned to eliminate duplicates Z: 13 14.998 2.195 0.847 0.445 0.750 0.500 CB 1.507 13 residues pruned to eliminate duplicates Z: 14 28.016 2.194 1.202 0.828 0.769 0.462 CB 1.574 14 residues pruned to eliminate duplicates Z: 9 13.528 1.891 0.813 0.636 0.875 0.750 CB 1.404 14 residues pruned to eliminate duplicates Z: 13 11.820 1.850 0.278 0.862 1.000 0.750 CB 1.059 13 residues pruned to eliminate duplicates Z: 12 30.593 2.208 1.360 0.830 1.000 0.727 CB 1.331 12 residues pruned to eliminate duplicates Z: 16 43.631 2.227 1.450 0.889 0.933 0.467 CB 1.593 16 residues pruned to eliminate duplicates Z: 14 16.493 2.246 0.731 0.415 0.846 0.385 CB 1.519 14 residues pruned to eliminate duplicates Z: 8 10.475 1.790 0.375 0.872 1.000 0.429 CB 1.172 8 residues pruned to eliminate duplicates Z: 17 27.296 2.061 0.574 0.939 1.000 0.875 CA 1.462 17 residues pruned to eliminate duplicates Z: 24 30.389 2.210 0.982 0.512 0.870 0.565 CB 1.644 24 residues pruned to eliminate duplicates Z: 18 25.822 1.984 0.604 0.938 1.000 0.941 CA 1.368 17 residues pruned to eliminate duplicates Z: 23 20.401 1.896 1.014 0.387 0.864 0.682 CB 1.488 23 residues pruned to eliminate duplicates Z: 63 31.971 1.935 0.884 0.551 0.919 0.597 CB 1.153 63 residues pruned to eliminate duplicates Z: 14 37.504 2.392 0.943 0.919 1.000 0.923 CB 1.577 14 residues pruned to eliminate duplicates Z: 12 21.920 2.191 0.635 0.827 1.000 0.818 CB 1.390 12 residues pruned to eliminate duplicates Z: 50 22.037 1.864 0.692 0.528 0.878 0.633 CB 1.106 50 residues pruned to eliminate duplicates Z: 72 48.362 2.188 0.893 0.623 0.901 0.592 CB 1.369 72 residues pruned to eliminate duplicates Z: 16 25.797 2.047 0.621 0.940 1.000 0.867 CB 1.393 16 residues pruned to eliminate duplicates Z: 9 6.644 1.875 0.103 0.516 0.750 0.500 CB 1.490 9 residues pruned to eliminate duplicates Z: 8 2.896 1.754 0.292 0.249 0.714 0.429 CB 0.903 8 residues pruned to eliminate duplicates Z: 23 33.075 2.336 0.870 0.550 0.955 0.727 CB 1.610 23 residues pruned to eliminate duplicates Z: 17 30.754 1.995 0.936 0.917 1.000 0.812 CB 1.405 17 residues pruned to eliminate duplicates Z: 38 29.116 2.012 0.914 0.595 0.865 0.676 CB 1.313 38 residues pruned to eliminate duplicates Z: 15 27.267 2.129 0.718 0.817 1.000 0.643 CB 1.513 Z: 11 11.716 1.890 0.731 0.600 0.800 0.700 CB 1.287 11 residues pruned to eliminate duplicates Z: 20 40.622 2.254 0.889 0.905 1.000 0.737 CB 1.558 20 residues pruned to eliminate duplicates Z: 12 20.849 2.066 1.033 0.849 1.000 0.636 CB 1.109 12 residues pruned to eliminate duplicates Z: 8 12.916 1.814 0.603 0.878 1.000 0.571 CB 1.218 8 residues pruned to eliminate duplicates Z: 14 21.563 2.188 0.473 0.929 1.000 0.769 CB 1.299 14 residues pruned to eliminate duplicates Z: 22 21.652 2.203 0.749 0.409 0.905 0.619 CA 1.492 22 residues pruned to eliminate duplicates Z: 10 8.062 1.807 0.560 0.422 0.778 0.444 CB 1.329 10 residues pruned to eliminate duplicates Z: 17 30.334 2.072 0.979 0.854 0.938 0.438 CB 1.457 17 residues pruned to eliminate duplicates Z: 56 48.801 2.256 0.733 0.616 0.982 0.655 CB 1.536 56 residues pruned to eliminate duplicates Z: 11 24.367 2.195 0.958 0.844 1.000 0.700 CB 1.334 11 residues pruned to eliminate duplicates Z: 17 31.221 1.995 1.073 0.932 1.000 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 10 11.711 1.857 0.608 0.739 0.778 0.667 CA 1.357 10 residues pruned to eliminate duplicates Z: 6 3.656 1.655 0.159 0.650 0.600 0.600 CB 1.234 6 residues pruned to eliminate duplicates Z: 31 27.587 2.130 0.919 0.572 0.767 0.533 CB 1.500 31 residues pruned to eliminate duplicates Z: 9 4.852 1.785 0.484 0.242 0.750 0.500 CB 1.163 9 residues pruned to eliminate duplicates Z: 19 29.020 2.245 1.130 0.446 0.944 0.556 CB 1.602 19 residues pruned to eliminate duplicates Z: 8 2.496 1.624 0.265 0.469 0.857 0.571 CB 0.553 Z: 28 40.083 2.220 1.123 0.641 0.963 0.667 CB 1.489 43 residues pruned to eliminate duplicates Z: 19 29.436 2.233 1.082 0.543 0.944 0.500 CB 1.515 19 residues pruned to eliminate duplicates Z: 31 31.631 2.262 0.817 0.466 0.900 0.533 CB 1.617 31 residues pruned to eliminate duplicates Z: 60 52.158 2.134 1.021 0.643 0.915 0.763 CB 1.505 60 residues pruned to eliminate duplicates Z: 20 20.421 1.914 0.901 0.506 1.000 0.526 CB 1.279 14 residues pruned to eliminate duplicates Z: 28 23.697 1.986 0.706 0.533 0.963 0.630 CB 1.353 28 residues pruned to eliminate duplicates Z: 8 5.622 1.523 0.489 0.371 0.857 0.143 CB 1.255 Z: 12 5.334 1.448 0.518 0.324 0.818 0.455 CB 1.085 12 residues pruned to eliminate duplicates Z: 19 17.434 2.010 0.452 0.523 0.889 0.556 CB 1.548 19 residues pruned to eliminate duplicates Z: 18 31.791 1.995 0.921 0.943 1.000 0.941 CB 1.395 18 residues pruned to eliminate duplicates Z: 13 14.588 2.049 0.999 0.455 0.750 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 20 26.272 2.031 0.871 0.525 1.000 0.737 CB 1.547 21 residues pruned to eliminate duplicates Z: 28 25.993 2.236 1.020 0.489 0.815 0.407 CB 1.374 28 residues pruned to eliminate duplicates Z: 17 29.890 2.042 0.998 0.871 1.000 0.625 CB 1.335 17 residues pruned to eliminate duplicates Z: 23 17.914 2.056 0.650 0.489 0.818 0.455 CB 1.392 23 residues pruned to eliminate duplicates Z: 99 55.713 2.181 1.027 0.544 0.908 0.551 CB 1.343 99 residues pruned to eliminate duplicates Z: 17 10.225 1.737 0.477 0.744 0.812 0.562 CB 0.985 16 residues pruned to eliminate duplicates Z: 25 26.755 2.409 0.890 0.349 0.833 0.458 CB 1.696 25 residues pruned to eliminate duplicates Z: 35 32.170 2.063 0.770 0.857 0.882 0.647 CB 1.262 35 residues pruned to eliminate duplicates Z: 13 15.365 1.979 0.761 0.471 1.000 0.583 CB 1.311 8 residues pruned to eliminate duplicates Z: 10 11.122 1.872 0.404 0.677 0.889 0.778 CB 1.349 10 residues pruned to eliminate duplicates Z: 15 29.216 2.101 0.798 0.825 1.000 0.786 CA 1.561 15 residues pruned to eliminate duplicates Z: 8 10.011 1.661 0.574 0.883 1.000 0.571 CA 1.047 8 residues pruned to eliminate duplicates Z: 17 27.127 2.172 0.816 0.803 0.875 0.562 CB 1.507 17 residues pruned to eliminate duplicates Z: 14 20.119 1.936 0.892 0.747 0.923 0.769 CB 1.323 14 residues pruned to eliminate duplicates Z: 14 21.541 2.199 0.611 0.825 0.923 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 26 25.752 2.155 1.212 0.579 0.880 0.680 CB 1.138 26 residues pruned to eliminate duplicates Z: 11 17.082 1.979 0.783 0.578 1.000 0.700 CB 1.420 11 residues pruned to eliminate duplicates Z: 9 18.486 2.051 0.606 0.845 1.000 0.500 CA 1.476 9 residues pruned to eliminate duplicates Z: 59 45.109 2.217 0.909 0.564 0.845 0.534 CB 1.558 59 residues pruned to eliminate duplicates Z: 9 2.281 1.544 -0.179 0.283 0.625 0.375 C 1.298 9 residues pruned to eliminate duplicates Z: 6 6.507 1.566 0.513 0.656 1.000 0.600 CB 1.062 6 residues pruned to eliminate duplicates Z: 20 11.117 1.743 0.472 0.720 0.842 0.579 CB 0.968 20 residues pruned to eliminate duplicates Z: 12 19.674 2.228 0.433 0.806 0.909 0.818 CB 1.565 12 residues pruned to eliminate duplicates Z: 9 14.350 1.887 0.637 0.641 1.000 0.875 CB 1.440 9 residues pruned to eliminate duplicates Z: 19 25.627 2.090 0.539 0.780 1.000 0.778 CB 1.466 19 residues pruned to eliminate duplicates Z: 25 43.200 2.403 1.165 0.524 0.958 0.458 CB 1.728 25 residues pruned to eliminate duplicates Z: 38 35.315 2.073 0.973 0.628 0.919 0.703 CB 1.370 38 residues pruned to eliminate duplicates Z: 32 41.097 2.352 1.136 0.479 0.903 0.516 CB 1.662 32 residues pruned to eliminate duplicates Z: 14 13.195 1.816 0.409 0.934 1.000 0.846 CB 0.997 Z: 13 9.050 1.658 0.595 0.331 0.917 0.333 CB 1.296 5 residues pruned to eliminate duplicates Z: 29 34.210 2.331 0.932 0.460 0.893 0.536 CB 1.674 29 residues pruned to eliminate duplicates Z: 15 21.452 2.114 0.729 0.841 0.857 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 44 33.873 2.065 1.075 0.545 0.907 0.651 CB 1.272 44 residues pruned to eliminate duplicates Z: 8 7.902 1.936 0.935 0.551 0.857 0.571 CB 0.885 8 residues pruned to eliminate duplicates Z: 17 15.943 1.979 0.737 0.438 0.938 0.500 CB 1.319 17 residues pruned to eliminate duplicates Z: 21 25.843 2.248 0.971 0.482 0.850 0.500 CB 1.562 21 residues pruned to eliminate duplicates Z: 6 25.933 2.455 1.211 0.812 1.000 1.000 CB 1.629 6 residues pruned to eliminate duplicates Z: 12 24.514 2.260 0.895 0.486 1.000 0.818 CB 1.751 12 residues pruned to eliminate duplicates Z: 68 49.153 2.233 0.867 0.574 0.910 0.687 CB 1.473 68 residues pruned to eliminate duplicates Z: 6 5.845 1.962 1.242 0.620 0.800 0.600 CB 0.663 Z: 13 15.678 1.863 0.528 0.941 1.000 0.833 CB 1.103 13 residues pruned to eliminate duplicates Z: 15 15.767 1.814 0.560 0.946 1.000 0.786 CB 1.030 14 residues pruned to eliminate duplicates Z: 38 43.998 2.223 1.241 0.604 0.892 0.676 CB 1.475 38 residues pruned to eliminate duplicates Z: 10 25.181 2.152 0.862 0.801 1.000 0.889 CB 1.610 10 residues pruned to eliminate duplicates Z: 44 40.279 2.223 0.872 0.613 0.907 0.628 CB 1.463 44 residues pruned to eliminate duplicates Z: 95 47.952 2.091 0.868 0.575 0.894 0.638 CB 1.318 95 residues pruned to eliminate duplicates Z: 15 30.954 2.208 0.897 0.851 1.000 0.643 CB 1.462 Z: 36 35.289 2.312 1.071 0.383 0.914 0.457 CB 1.543 36 residues pruned to eliminate duplicates Z: 39 46.170 2.226 0.766 0.866 0.921 0.658 CB 1.514 39 residues pruned to eliminate duplicates Z: 14 19.578 1.942 0.898 0.859 0.769 0.769 CB 1.410 14 residues pruned to eliminate duplicates Z: 12 10.763 1.762 0.753 0.369 0.909 0.364 CB 1.331 12 residues pruned to eliminate duplicates Z: 15 14.499 1.768 0.418 0.943 1.000 1.000 CB 1.071 15 residues pruned to eliminate duplicates Z: 15 21.931 2.069 0.675 0.937 0.929 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 17 26.846 2.025 0.652 0.923 1.000 0.812 CB 1.410 17 residues pruned to eliminate duplicates Z: 25 43.267 2.331 1.101 0.640 0.917 0.708 CB 1.725 25 residues pruned to eliminate duplicates Z: 15 26.254 2.279 0.481 0.940 1.000 1.000 CB 1.444 15 residues pruned to eliminate duplicates Z: 12 19.196 2.022 1.141 0.516 0.909 0.727 CA 1.447 12 residues pruned to eliminate duplicates Z: 12 22.347 1.925 1.458 0.829 0.818 0.727 CB 1.310 12 residues pruned to eliminate duplicates Z: 18 11.052 2.091 0.753 0.282 0.824 0.353 CB 1.137 18 residues pruned to eliminate duplicates Z: 17 17.729 2.013 1.123 0.482 0.875 0.562 CB 1.207 17 residues pruned to eliminate duplicates Z: 17 29.095 2.007 0.793 0.940 1.000 0.750 CB 1.404 17 residues pruned to eliminate duplicates Z: 13 21.147 2.032 0.957 0.823 0.833 0.750 CB 1.393 13 residues pruned to eliminate duplicates Z: 111 56.143 2.181 0.934 0.548 0.882 0.636 CB 1.373 126 residues pruned to eliminate duplicates Z: 9 4.608 1.726 0.644 0.250 0.625 0.625 CB 1.224 9 residues pruned to eliminate duplicates Z: 15 16.017 1.747 0.642 0.935 1.000 0.857 CB 1.040 14 residues pruned to eliminate duplicates Z: 85 47.585 2.131 0.967 0.520 0.893 0.571 CB 1.360 85 residues pruned to eliminate duplicates Z: 25 35.944 2.379 0.944 0.468 0.958 0.500 CB 1.711 25 residues pruned to eliminate duplicates Z: 12 13.557 1.887 0.914 0.901 0.909 0.455 CB 0.888 12 residues pruned to eliminate duplicates Z: 14 30.739 2.271 0.857 0.828 1.000 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 46 24.931 2.043 0.716 0.438 0.822 0.511 CB 1.374 27 residues pruned to eliminate duplicates Z: 89 55.600 2.191 1.084 0.559 0.898 0.568 CB 1.365 89 residues pruned to eliminate duplicates Z: 42 34.745 2.263 0.873 0.495 0.878 0.585 CB 1.466 42 residues pruned to eliminate duplicates Z: 23 21.235 1.893 0.997 0.665 0.818 0.636 CB 1.255 23 residues pruned to eliminate duplicates Z: 11 7.812 1.949 0.545 0.875 1.000 0.500 CB 0.597 11 residues pruned to eliminate duplicates Z: 27 24.265 2.031 0.845 0.527 0.923 0.769 CB 1.340 27 residues pruned to eliminate duplicates Z: 14 22.333 2.125 1.042 0.469 0.923 0.692 CA 1.595 14 residues pruned to eliminate duplicates Z: 10 4.358 1.841 0.447 0.503 0.667 0.444 CB 0.815 10 residues pruned to eliminate duplicates Z: 7 3.442 1.840 0.245 0.437 0.667 0.667 CB 0.982 Z: 28 17.590 1.898 0.461 0.483 0.926 0.593 CB 1.342 28 residues pruned to eliminate duplicates Z: 7 3.602 1.395 0.718 0.631 0.833 0.333 CB 0.651 Z: 12 6.986 1.721 0.604 0.439 0.909 0.545 CB 0.894 12 residues pruned to eliminate duplicates Z: 37 39.773 2.174 1.030 0.590 0.889 0.750 CB 1.550 37 residues pruned to eliminate duplicates Z: 14 5.271 1.636 0.323 0.472 0.769 0.538 CB 0.903 Z: 36 21.004 2.013 0.671 0.541 0.886 0.657 CB 1.145 37 residues pruned to eliminate duplicates Z: 8 10.786 1.720 0.794 0.583 0.857 0.714 N 1.424 8 residues pruned to eliminate duplicates Z: 99 53.573 2.135 0.977 0.548 0.929 0.500 CB 1.318 99 residues pruned to eliminate duplicates Z: 16 26.087 2.230 0.821 0.638 0.933 0.667 CA 1.562 16 residues pruned to eliminate duplicates Z: 15 21.828 2.062 0.397 0.917 1.000 0.929 CB 1.429 15 residues pruned to eliminate duplicates Z: 39 41.635 2.234 1.038 0.545 0.921 0.684 CB 1.541 39 residues pruned to eliminate duplicates Z: 10 4.730 1.859 0.095 0.490 0.778 0.556 CB 1.006 Z: 40 29.436 1.982 0.822 0.629 0.897 0.692 CB 1.289 40 residues pruned to eliminate duplicates Z: 7 19.034 2.022 0.987 0.792 1.000 0.833 CB 1.497 7 residues pruned to eliminate duplicates Z: 11 23.457 2.051 0.738 0.905 1.000 0.700 CB 1.481 Z: 18 27.259 1.934 0.730 0.898 1.000 0.824 CB 1.413 18 residues pruned to eliminate duplicates Z: 11 35.385 2.483 1.005 0.788 1.000 0.800 CB 1.745 11 residues pruned to eliminate duplicates Z: 17 14.745 1.951 0.134 0.900 0.938 0.812 CB 1.269 17 residues pruned to eliminate duplicates Z: 32 16.774 1.968 0.681 0.394 0.839 0.516 CB 1.215 32 residues pruned to eliminate duplicates Z: 15 30.270 2.202 1.152 0.634 0.929 0.571 CB 1.621 15 residues pruned to eliminate duplicates Z: 24 27.336 2.099 0.721 0.697 0.957 0.739 CB 1.378 24 residues pruned to eliminate duplicates Z: 32 33.324 2.081 0.934 0.679 0.935 0.774 CB 1.348 32 residues pruned to eliminate duplicates Z: 32 35.476 2.231 0.879 0.616 0.903 0.774 CB 1.507 32 residues pruned to eliminate duplicates Z: 31 38.830 2.267 1.069 0.531 0.967 0.667 CB 1.516 42 residues pruned to eliminate duplicates Z: 12 12.871 1.840 0.660 0.582 0.909 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 22 26.503 2.190 0.952 0.418 0.905 0.524 CA 1.630 22 residues pruned to eliminate duplicates Z: 29 42.570 2.207 1.050 0.652 0.893 0.714 CB 1.729 29 residues pruned to eliminate duplicates Z: 13 24.602 2.049 1.158 0.920 0.833 0.750 CB 1.357 13 residues pruned to eliminate duplicates Z: 20 26.177 2.043 0.817 0.521 1.000 0.737 CB 1.584 20 residues pruned to eliminate duplicates Z: 15 30.648 2.120 0.913 0.851 0.929 0.571 CA 1.610 15 residues pruned to eliminate duplicates Z: 7 5.132 1.709 0.327 0.510 0.833 0.500 CB 1.098 Z: 10 15.225 1.980 0.488 0.821 1.000 0.667 CA 1.303 10 residues pruned to eliminate duplicates Z: 13 21.824 2.134 0.862 0.452 1.000 0.750 CB 1.666 13 residues pruned to eliminate duplicates Z: 38 48.306 2.255 0.779 0.876 0.946 0.757 CB 1.520 38 residues pruned to eliminate duplicates Z: 20 37.178 2.079 1.060 0.914 1.000 0.895 CB 1.409 20 residues pruned to eliminate duplicates Z: 17 20.319 2.013 0.928 0.528 0.875 0.625 CB 1.455 17 residues pruned to eliminate duplicates Z: 31 36.860 2.138 1.107 0.620 0.867 0.700 CB 1.540 31 residues pruned to eliminate duplicates Z: 61 40.600 2.109 0.906 0.607 0.867 0.717 CB 1.359 61 residues pruned to eliminate duplicates Z: 8 4.361 1.637 0.370 0.385 0.857 0.429 CB 0.970 Z: 17 23.847 1.988 0.478 0.947 1.000 0.938 CB 1.402 17 residues pruned to eliminate duplicates Z: 39 32.575 2.083 0.813 0.641 0.895 0.737 CB 1.371 39 residues pruned to eliminate duplicates Z: 19 29.014 1.926 0.996 0.872 0.944 0.667 CB 1.373 19 residues pruned to eliminate duplicates Z: 21 22.923 2.161 0.504 0.829 0.950 0.750 CB 1.249 21 residues pruned to eliminate duplicates Z: 17 17.711 2.130 0.801 0.504 0.875 0.625 CB 1.313 17 residues pruned to eliminate duplicates Z: 28 30.730 2.357 0.882 0.403 0.889 0.444 CB 1.661 28 residues pruned to eliminate duplicates Z: 36 20.049 1.922 0.541 0.550 0.886 0.600 CB 1.230 32 residues pruned to eliminate duplicates Z: 6 9.556 2.103 0.361 0.767 0.800 0.400 CA 1.473 6 residues pruned to eliminate duplicates Z: 18 26.817 1.921 1.059 0.885 1.000 0.471 CB 1.188 18 residues pruned to eliminate duplicates Z: 90 43.491 2.048 0.710 0.562 0.910 0.607 CB 1.362 109 residues pruned to eliminate duplicates Z: 19 24.076 1.870 0.789 0.889 0.944 0.778 CA 1.293 19 residues pruned to eliminate duplicates Z: 28 25.280 1.973 0.706 0.666 0.963 0.741 CB 1.288 28 residues pruned to eliminate duplicates Z: 14 13.418 2.093 0.640 0.419 0.769 0.538 CB 1.534 14 residues pruned to eliminate duplicates Z: 42 29.865 2.047 0.846 0.554 0.902 0.610 CB 1.297 42 residues pruned to eliminate duplicates Z: 21 20.864 1.855 0.888 0.578 0.950 0.600 CB 1.301 20 residues pruned to eliminate duplicates Z: 14 16.745 1.790 0.638 0.913 1.000 0.769 CB 1.121 14 residues pruned to eliminate duplicates Z: 6 6.631 1.792 -0.036 0.767 1.000 1.000 CB 1.355 Z: 13 23.024 2.116 0.541 0.927 1.000 1.000 CB 1.428 13 residues pruned to eliminate duplicates Z: 58 46.730 2.106 1.023 0.640 0.895 0.632 CB 1.424 66 residues pruned to eliminate duplicates Z: 17 26.592 2.033 0.581 0.942 1.000 0.812 CA 1.434 17 residues pruned to eliminate duplicates Z: 17 20.222 1.831 0.412 0.936 1.000 0.875 CA 1.362 17 residues pruned to eliminate duplicates Z: 15 24.436 2.006 0.851 0.901 0.929 0.643 CB 1.352 15 residues pruned to eliminate duplicates Z: 10 12.050 1.918 0.535 0.557 0.889 0.667 CB 1.453 10 residues pruned to eliminate duplicates Z: 12 17.657 2.242 0.927 0.464 0.818 0.455 CB 1.562 11 residues pruned to eliminate duplicates Z: 13 28.802 2.066 1.293 0.806 0.833 0.250 CB 1.612 13 residues pruned to eliminate duplicates Z: 13 25.074 2.136 0.981 0.820 0.917 0.667 CB 1.414 13 residues pruned to eliminate duplicates Z: 20 26.844 2.299 0.930 0.406 0.895 0.526 CB 1.711 20 residues pruned to eliminate duplicates Z: 7 3.406 1.783 0.197 0.343 0.667 0.500 CB 1.159 6 residues pruned to eliminate duplicates Z: 14 7.055 1.845 0.466 0.244 0.769 0.231 CB 1.264 14 residues pruned to eliminate duplicates Z: 75 47.518 2.139 0.908 0.559 0.932 0.595 CB 1.371 75 residues pruned to eliminate duplicates Z: 21 45.307 2.297 0.976 0.925 0.900 0.800 CB 1.741 21 residues pruned to eliminate duplicates Z: 41 27.235 2.062 0.723 0.482 0.800 0.575 CB 1.543 41 residues pruned to eliminate duplicates Z: 57 41.924 2.132 0.867 0.636 0.911 0.732 CB 1.361 57 residues pruned to eliminate duplicates Z: 11 11.862 1.947 0.666 0.922 1.000 0.900 CB 0.813 11 residues pruned to eliminate duplicates Z: 14 14.550 1.844 0.976 0.603 0.846 0.538 CB 1.186 Z: 16 32.101 2.051 0.904 0.945 1.000 0.733 CB 1.469 16 residues pruned to eliminate duplicates Z: 29 32.583 2.160 0.918 0.639 0.929 0.607 CB 1.404 29 residues pruned to eliminate duplicates Z: 19 15.034 1.981 0.777 0.483 0.833 0.611 CB 1.228 19 residues pruned to eliminate duplicates Z: 91 52.574 2.189 0.878 0.564 0.889 0.611 CB 1.424 91 residues pruned to eliminate duplicates Z: 63 45.050 2.138 0.850 0.583 0.887 0.661 CB 1.506 63 residues pruned to eliminate duplicates Z: 8 6.968 1.951 0.291 0.273 0.857 0.429 CB 1.579 8 residues pruned to eliminate duplicates Z: 16 12.717 1.966 0.973 0.563 0.867 0.600 CB 0.919 16 residues pruned to eliminate duplicates Z: 15 12.321 2.044 0.875 0.431 0.857 0.500 CB 1.077 15 residues pruned to eliminate duplicates Z: 14 12.267 1.824 0.230 0.933 1.000 1.000 CB 1.058 14 residues pruned to eliminate duplicates Z: 13 11.010 2.044 0.440 0.365 0.833 0.417 CB 1.497 13 residues pruned to eliminate duplicates Z: 22 31.455 2.175 1.231 0.614 1.000 0.714 CB 1.270 22 residues pruned to eliminate duplicates Z: 14 16.917 2.063 1.235 0.436 0.769 0.692 CB 1.413 14 residues pruned to eliminate duplicates Z: 14 14.681 1.802 0.552 0.925 1.000 0.846 CB 1.022 14 residues pruned to eliminate duplicates Z: 13 34.022 2.278 1.115 0.848 1.000 0.583 CB 1.512 13 residues pruned to eliminate duplicates Z: 12 17.060 1.948 0.854 0.508 1.000 0.636 CB 1.413 11 residues pruned to eliminate duplicates Z: 36 36.595 2.056 0.801 0.855 0.971 0.657 CB 1.269 36 residues pruned to eliminate duplicates Z: 21 21.556 1.972 0.693 0.483 1.000 0.750 CB 1.468 21 residues pruned to eliminate duplicates Z: 34 33.132 2.054 1.075 0.669 0.879 0.697 CB 1.317 34 residues pruned to eliminate duplicates Z: 14 11.460 1.778 0.220 0.923 1.000 0.923 CB 1.029 14 residues pruned to eliminate duplicates Z: 61 30.425 2.009 0.813 0.474 0.883 0.633 CB 1.253 61 residues pruned to eliminate duplicates Z: 8 20.039 2.197 1.300 0.679 0.857 0.857 CB 1.484 8 residues pruned to eliminate duplicates Z: 26 19.529 1.969 0.679 0.518 0.920 0.680 CB 1.261 26 residues pruned to eliminate duplicates Z: 18 12.752 1.750 0.521 0.837 0.941 0.647 CB 0.924 18 residues pruned to eliminate duplicates Z: 13 21.521 1.960 0.741 0.873 1.000 0.750 CB 1.326 13 residues pruned to eliminate duplicates Z: 8 4.131 1.693 -0.322 0.645 1.000 0.714 CB 1.189 Z: 9 6.846 1.728 0.150 0.631 0.875 0.625 CB 1.231 Z: 6 7.681 1.429 1.030 0.780 1.000 0.600 CA 0.926 6 residues pruned to eliminate duplicates Z: 9 13.817 1.873 0.946 0.617 0.875 0.750 CA 1.370 9 residues pruned to eliminate duplicates Z: 34 40.449 2.221 0.855 0.614 0.939 0.636 CA 1.633 34 residues pruned to eliminate duplicates Z: 13 16.966 2.083 0.609 0.603 1.000 0.583 CB 1.325 13 residues pruned to eliminate duplicates Z: 6 4.398 1.719 0.646 0.297 0.800 0.800 N 1.089 6 0.860 1.079 0.107 0.298 0.600 0.400 CA 0.672 ? Z: 27 25.467 2.192 0.852 0.410 0.846 0.577 CB 1.597 27 residues pruned to eliminate duplicates Z: 18 9.337 1.692 0.423 0.370 0.824 0.529 N 1.312 18 residues pruned to eliminate duplicates Z: 35 41.632 2.113 0.972 0.859 0.941 0.765 CB 1.340 35 residues pruned to eliminate duplicates Z: 61 38.681 2.145 0.896 0.526 0.883 0.617 CB 1.355 67 residues pruned to eliminate duplicates Z: 11 23.188 2.289 0.649 0.892 1.000 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 8 5.715 1.698 0.695 0.528 0.857 0.571 N 0.852 Z: 17 13.216 1.975 0.717 0.386 0.750 0.625 CB 1.466 17 residues pruned to eliminate duplicates Z: 15 24.936 2.016 0.847 0.913 1.000 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 50 40.324 2.105 0.851 0.608 0.980 0.714 CB 1.362 50 residues pruned to eliminate duplicates Z: 7 5.551 1.534 0.914 0.436 0.667 0.500 N 1.237 Z: 23 33.649 2.287 0.588 0.861 0.909 0.773 CB 1.596 23 residues pruned to eliminate duplicates Z: 16 24.856 2.159 1.086 0.793 0.733 0.667 CB 1.503 16 residues pruned to eliminate duplicates Z: 15 45.437 2.274 1.404 0.911 0.929 0.571 CA 1.695 15 residues pruned to eliminate duplicates Z: 8 7.923 1.830 0.314 0.369 1.000 0.714 CA 1.432 8 residues pruned to eliminate duplicates Z: 12 4.082 1.414 0.580 0.231 0.818 0.364 N 0.921 12 residues pruned to eliminate duplicates Z: 17 20.743 2.054 0.920 0.549 0.938 0.688 CB 1.337 17 residues pruned to eliminate duplicates Z: 26 28.213 2.194 0.803 0.535 0.880 0.560 CB 1.566 26 residues pruned to eliminate duplicates Z: 6 2.067 1.493 0.636 0.436 0.600 0.400 N 0.674 Z: 46 40.277 2.209 0.957 0.487 0.889 0.622 CB 1.582 46 residues pruned to eliminate duplicates Z: 9 7.816 1.610 0.539 0.596 0.875 0.500 CB 1.163 9 residues pruned to eliminate duplicates Z: 61 44.797 2.153 0.774 0.673 0.933 0.617 CB 1.383 61 residues pruned to eliminate duplicates Z: 11 14.712 1.928 0.689 0.544 1.000 0.700 CB 1.368 11 residues pruned to eliminate duplicates Z: 12 16.603 1.980 0.977 0.552 0.818 0.545 CB 1.486 12 residues pruned to eliminate duplicates Z: 7 9.456 1.670 0.869 0.653 1.000 0.500 CB 1.072 7 residues pruned to eliminate duplicates Z: 15 19.961 1.983 0.260 0.930 0.929 0.929 CB 1.608 15 residues pruned to eliminate duplicates Z: 11 16.389 2.108 0.458 0.868 0.900 0.700 CB 1.369 11 residues pruned to eliminate duplicates Z: 19 19.181 2.004 0.732 0.458 0.833 0.556 CB 1.632 19 residues pruned to eliminate duplicates Z: 6 13.752 2.144 0.824 0.773 1.000 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 9 14.466 2.050 0.397 0.795 1.000 0.625 CA 1.379 9 residues pruned to eliminate duplicates Z: 6 6.336 1.921 0.580 0.634 1.000 0.600 CB 0.823 Z: 9 4.022 1.756 0.064 0.631 0.875 0.500 CB 0.769 9 residues pruned to eliminate duplicates Z: 16 21.846 2.046 0.384 0.944 1.000 1.000 CA 1.380 16 residues pruned to eliminate duplicates Z: 59 37.146 2.093 0.771 0.587 0.948 0.672 CB 1.277 59 residues pruned to eliminate duplicates Z: 9 16.045 1.858 1.096 0.664 0.875 0.875 CB 1.430 9 residues pruned to eliminate duplicates Z: 13 18.509 1.972 0.894 0.574 1.000 0.750 CA 1.332 13 residues pruned to eliminate duplicates Z: 22 25.442 2.089 0.803 0.619 0.857 0.762 CB 1.537 22 residues pruned to eliminate duplicates Z: 55 33.571 2.013 0.769 0.575 0.944 0.667 CB 1.263 55 residues pruned to eliminate duplicates Z: 47 22.872 1.904 0.663 0.543 0.913 0.630 CB 1.118 47 residues pruned to eliminate duplicates Z: 28 21.488 1.961 0.777 0.511 0.852 0.593 CB 1.379 28 residues pruned to eliminate duplicates Z: 15 18.867 2.052 0.352 0.908 1.000 0.857 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 5.054 1.617 0.208 0.604 1.000 0.600 N 1.048 Z: 18 26.125 1.868 0.715 0.934 1.000 1.000 CA 1.379 18 residues pruned to eliminate duplicates Z: 21 46.243 2.297 0.960 0.897 0.950 0.850 CB 1.730 21 residues pruned to eliminate duplicates Z: 35 32.761 2.141 0.983 0.522 0.853 0.647 CB 1.518 35 residues pruned to eliminate duplicates Z: 19 23.453 1.942 0.907 0.579 1.000 0.667 CB 1.383 20 residues pruned to eliminate duplicates Z: 6 2.873 1.502 0.143 0.533 0.800 0.400 CB 0.906 Z: 9 20.366 1.960 0.891 0.782 1.000 0.875 CB 1.515 10 residues pruned to eliminate duplicates Z: 30 33.298 2.182 0.937 0.468 0.966 0.621 CB 1.566 30 residues pruned to eliminate duplicates Z: 30 43.876 2.224 1.046 0.582 1.000 0.759 CB 1.655 30 residues pruned to eliminate duplicates Z: 14 13.008 1.771 0.569 0.892 1.000 0.462 CB 0.932 14 residues pruned to eliminate duplicates Z: 17 10.638 1.835 0.111 0.834 0.938 0.812 CB 1.043 17 residues pruned to eliminate duplicates Z: 6 4.558 1.731 0.031 0.709 0.800 0.600 CB 1.181 5 residues pruned to eliminate duplicates Z: 66 30.579 1.903 0.700 0.541 0.892 0.677 CB 1.262 66 residues pruned to eliminate duplicates Z: 33 33.295 2.249 0.770 0.583 0.906 0.656 CB 1.507 33 residues pruned to eliminate duplicates Z: 13 17.413 1.988 0.727 0.553 1.000 0.833 CB 1.390 14 residues pruned to eliminate duplicates Z: 46 34.919 2.083 0.755 0.565 0.978 0.733 CB 1.368 46 residues pruned to eliminate duplicates Z: 11 7.941 1.791 0.502 0.465 0.700 0.500 CB 1.382 11 residues pruned to eliminate duplicates Z: 47 33.821 2.029 0.712 0.578 0.935 0.630 CB 1.425 47 residues pruned to eliminate duplicates Z: 25 28.943 2.204 0.679 0.591 0.958 0.542 CB 1.527 25 residues pruned to eliminate duplicates Z: 7 6.255 1.508 0.904 0.696 1.000 0.833 CB 0.744 Z: 10 2.572 1.648 -0.202 0.433 0.778 0.556 CB 0.898 9 residues pruned to eliminate duplicates Z: 11 17.601 2.035 1.116 0.790 0.800 0.600 CB 1.253 11 residues pruned to eliminate duplicates Z: 22 29.278 2.152 0.773 0.570 0.952 0.667 CB 1.644 22 residues pruned to eliminate duplicates Z: 7 3.836 1.605 -0.078 0.600 0.833 0.667 CA 1.154 7 residues pruned to eliminate duplicates Z: 12 7.616 2.025 0.764 0.380 0.636 0.455 CB 1.148 Z: 6 7.978 1.872 0.610 0.840 0.800 0.600 CA 1.105 Z: 13 20.261 2.131 0.744 0.555 1.000 0.833 CB 1.492 13 residues pruned to eliminate duplicates Z: 16 11.792 1.942 0.377 0.458 0.867 0.533 CB 1.370 16 residues pruned to eliminate duplicates Z: 16 19.973 1.853 0.494 0.936 0.933 0.800 CA 1.390 16 residues pruned to eliminate duplicates Z: 23 38.400 2.274 1.039 0.619 0.955 0.818 CB 1.653 23 residues pruned to eliminate duplicates Z: 34 25.701 1.945 0.798 0.631 0.939 0.515 CB 1.205 34 residues pruned to eliminate duplicates Z: 17 14.089 1.783 0.890 0.532 0.875 0.500 CB 1.158 17 residues pruned to eliminate duplicates Z: 12 2.394 1.543 -0.066 0.260 0.636 0.364 CB 1.035 Z: 12 24.301 2.135 0.950 0.828 1.000 0.727 CB 1.325 12 residues pruned to eliminate duplicates Z: 35 30.668 2.002 0.830 0.627 0.941 0.824 CB 1.353 35 residues pruned to eliminate duplicates Z: 7 12.533 1.826 0.553 0.891 1.000 0.833 CA 1.297 7 residues pruned to eliminate duplicates Z: 24 19.927 2.049 0.439 0.445 0.957 0.696 CB 1.559 24 residues pruned to eliminate duplicates Z: 13 12.691 1.816 0.205 0.924 1.000 0.917 CB 1.176 13 residues pruned to eliminate duplicates Z: 12 28.266 2.218 0.889 0.845 1.000 0.727 CB 1.512 12 residues pruned to eliminate duplicates Z: 13 5.773 1.714 0.408 0.283 0.750 0.250 CB 1.176 13 residues pruned to eliminate duplicates Z: 12 9.041 1.972 0.234 0.221 1.000 0.545 CB 1.553 12 residues pruned to eliminate duplicates Z: 27 13.248 1.776 0.505 0.508 0.885 0.615 CB 1.090 36 residues pruned to eliminate duplicates Z: 17 26.114 1.932 0.734 0.936 1.000 0.750 CB 1.358 17 residues pruned to eliminate duplicates Z: 12 12.090 1.845 0.585 0.869 1.000 0.818 CB 0.910 12 residues pruned to eliminate duplicates Z: 37 25.462 2.146 0.772 0.559 0.806 0.500 CB 1.308 49 residues pruned to eliminate duplicates Z: 8 4.161 1.528 0.600 0.430 0.714 0.429 CB 0.968 Z: 21 31.068 2.221 1.004 0.686 0.950 0.500 CB 1.385 21 residues pruned to eliminate duplicates Z: 24 28.576 2.241 0.827 0.473 0.913 0.609 CA 1.639 24 residues pruned to eliminate duplicates Z: 8 4.774 1.695 0.145 0.443 0.857 0.429 CB 1.151 Z: 18 18.032 2.187 0.667 0.394 0.824 0.529 CB 1.630 18 residues pruned to eliminate duplicates Z: 10 16.046 2.099 0.921 0.612 0.889 0.778 CB 1.342 10 residues pruned to eliminate duplicates Z: 9 11.826 2.059 0.840 0.438 0.875 0.750 CB 1.344 9 residues pruned to eliminate duplicates Z: 31 28.017 2.122 0.889 0.494 0.800 0.500 CB 1.604 31 residues pruned to eliminate duplicates Z: 9 12.920 1.954 0.417 0.829 1.000 0.625 CB 1.241 9 residues pruned to eliminate duplicates Z: 103 55.383 2.198 0.980 0.551 0.882 0.608 CB 1.358 109 residues pruned to eliminate duplicates Z: 11 5.310 1.685 0.335 0.454 0.800 0.600 CB 0.978 Z: 8 7.559 1.794 0.890 0.484 0.714 0.714 CB 1.199 6 residues pruned to eliminate duplicates Z: 16 21.428 2.029 0.663 0.833 1.000 0.733 CB 1.230 16 residues pruned to eliminate duplicates Z: 7 10.813 1.677 0.684 0.701 1.000 0.500 CB 1.301 7 residues pruned to eliminate duplicates Z: 8 5.955 1.839 0.630 0.488 0.714 0.429 CA 1.063 8 residues pruned to eliminate duplicates Z: 38 13.219 1.666 0.581 0.428 0.919 0.568 CB 0.967 38 residues pruned to eliminate duplicates Z: 6 3.990 1.634 0.156 0.367 0.800 0.200 CB 1.363 Z: 13 9.612 1.893 0.353 0.442 0.917 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 15 23.821 2.282 0.823 0.423 1.000 0.500 CB 1.658 15 residues pruned to eliminate duplicates Z: 26 22.101 2.003 0.609 0.590 0.880 0.600 CB 1.429 26 residues pruned to eliminate duplicates Z: 14 34.346 2.286 0.974 0.858 1.000 0.692 CB 1.554 14 residues pruned to eliminate duplicates Z: 46 33.591 2.083 0.834 0.558 0.933 0.667 CB 1.327 46 residues pruned to eliminate duplicates Z: 7 2.371 1.219 0.610 0.238 0.833 0.667 N 0.802 Z: 6 2.704 1.574 0.406 0.417 0.600 0.400 CB 0.993 Z: 19 37.155 2.220 1.092 0.920 0.889 0.778 CB 1.494 19 residues pruned to eliminate duplicates Z: 37 44.560 2.212 1.019 0.625 0.917 0.500 CB 1.613 37 residues pruned to eliminate duplicates Z: 11 15.870 2.038 0.976 0.910 1.000 0.600 CB 0.884 11 residues pruned to eliminate duplicates Z: 34 33.675 2.141 0.823 0.548 0.879 0.636 CB 1.630 34 residues pruned to eliminate duplicates Z: 20 38.195 2.258 0.813 0.919 1.000 0.895 CB 1.509 20 residues pruned to eliminate duplicates Z: 7 10.252 2.195 0.602 0.483 1.000 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 27 41.079 2.086 1.056 0.772 0.962 0.731 CB 1.537 27 residues pruned to eliminate duplicates Z: 7 6.484 1.831 0.450 0.688 0.833 0.833 CB 1.008 7 residues pruned to eliminate duplicates Z: 22 47.671 2.277 0.961 0.829 1.000 0.810 CA 1.753 22 residues pruned to eliminate duplicates Z: 8 3.554 1.561 0.541 0.339 0.857 0.286 N 0.777 Z: 26 27.585 2.117 0.677 0.552 1.000 0.480 CB 1.478 26 residues pruned to eliminate duplicates Z: 30 33.819 2.098 1.026 0.579 0.966 0.759 CB 1.418 30 residues pruned to eliminate duplicates Z: 7 11.637 1.833 0.427 0.887 1.000 0.833 CA 1.310 7 residues pruned to eliminate duplicates Z: 14 8.208 1.765 -0.176 0.947 1.000 1.000 CB 1.081 14 residues pruned to eliminate duplicates Z: 27 31.130 2.283 1.064 0.440 0.885 0.500 CB 1.558 27 residues pruned to eliminate duplicates Z: 22 19.663 2.071 0.930 0.469 0.762 0.524 CB 1.453 22 residues pruned to eliminate duplicates Z: 75 58.011 2.272 0.788 0.612 0.973 0.662 CB 1.535 75 residues pruned to eliminate duplicates Z: 15 9.258 2.015 0.254 0.368 0.857 0.643 CB 1.316 15 residues pruned to eliminate duplicates Z: 63 49.718 2.253 1.076 0.525 0.919 0.532 CB 1.432 63 residues pruned to eliminate duplicates 7 1.658 1.236 0.710 0.403 1.000 0.333 CB 0.355 ? Z: 15 26.153 2.236 0.981 0.820 0.929 0.643 CB 1.287 15 residues pruned to eliminate duplicates Z: 36 32.342 2.167 0.852 0.572 0.857 0.600 CB 1.482 36 residues pruned to eliminate duplicates Z: 13 15.491 1.981 0.956 0.453 0.750 0.583 CB 1.615 13 residues pruned to eliminate duplicates Z: 6 4.791 1.486 0.569 0.713 0.800 0.800 CA 0.947 Z: 17 25.570 2.233 0.914 0.512 0.938 0.562 CB 1.577 17 residues pruned to eliminate duplicates 691 residues left after pruning, divided into chains as follows: A: 17 B: 17 C: 26 D: 78 E: 22 F: 16 G: 10 H: 44 I: 14 J: 13 K: 24 L: 248 M: 20 N: 11 O: 131 CC for partial structure against native data = 39.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.486, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.564, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.677, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.693, Connect. = 0.812 for dens.mod. cycle 4 = 0.300, Contrast = 0.708, Connect. = 0.814 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.815 for dens.mod. cycle 6 = 0.300, Contrast = 0.721, Connect. = 0.817 for dens.mod. cycle 7 = 0.300, Contrast = 0.725, Connect. = 0.818 for dens.mod. cycle 8 = 0.300, Contrast = 0.728, Connect. = 0.818 for dens.mod. cycle 9 = 0.300, Contrast = 0.729, Connect. = 0.819 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4225 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1017 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 54.123 2.449 1.254 0.915 1.000 0.857 CB 1.852 B: 31 37.823 2.416 1.021 0.420 0.900 0.367 CB 1.708 C: 15 38.268 2.488 0.856 0.874 0.929 0.714 CB 1.736 D: 11 28.293 2.426 0.858 0.889 0.900 0.500 CB 1.587 E: 18 31.132 2.234 0.838 0.826 0.941 0.706 CB 1.473 F: 13 31.588 2.379 0.869 0.810 1.000 0.833 CB 1.566 11 residues pruned to eliminate duplicates G: 17 41.918 2.237 1.241 0.913 0.938 0.750 CA 1.578 17 residues pruned to eliminate duplicates H: 15 55.482 2.549 1.361 0.923 1.000 0.857 CB 1.732 15 residues pruned to eliminate duplicates I: 15 53.723 2.446 1.351 0.911 1.000 0.714 CA 1.769 15 residues pruned to eliminate duplicates J: 39 49.591 2.244 0.836 0.853 0.921 0.658 CB 1.567 K: 16 44.277 2.395 1.082 0.814 1.000 0.800 CB 1.745 15 residues pruned to eliminate duplicates L: 31 38.786 2.315 0.759 0.596 0.933 0.700 CB 1.700 16 residues pruned to eliminate duplicates M: 13 29.817 2.171 1.057 0.817 1.000 0.917 CB 1.464 N: 22 46.163 2.314 0.863 0.906 0.952 0.762 CB 1.746 22 residues pruned to eliminate duplicates O: 11 16.895 2.303 0.744 0.455 0.900 0.600 CB 1.548 P: 11 36.572 2.338 1.139 0.866 1.000 0.800 CB 1.692 Q: 15 38.520 2.319 1.013 0.935 1.000 0.929 CB 1.537 15 residues pruned to eliminate duplicates R: 16 18.404 2.197 0.628 0.471 0.933 0.733 CB 1.466 S: 9 7.832 2.051 0.894 0.306 0.750 0.250 CB 1.180 T: 25 30.974 2.335 0.653 0.574 0.917 0.708 CB 1.664 13 residues pruned to eliminate duplicates U: 22 38.474 2.258 0.868 0.887 0.952 0.714 CB 1.507 11 residues pruned to eliminate duplicates V: 29 45.766 2.434 0.772 0.679 0.964 0.714 CB 1.765 17 residues pruned to eliminate duplicates W: 55 53.021 2.227 0.905 0.655 0.981 0.630 CB 1.500 16 residues pruned to eliminate duplicates X: 15 38.142 2.377 0.958 0.916 0.929 0.929 CA 1.665 20 residues pruned to eliminate duplicates Y: 15 45.460 2.428 1.088 0.900 1.000 0.857 CA 1.711 15 residues pruned to eliminate duplicates Z: 34 37.919 2.110 0.894 0.670 0.879 0.697 CB 1.607 Z: 13 23.751 2.286 0.649 0.839 0.917 0.583 CB 1.483 13 residues pruned to eliminate duplicates Z: 32 32.263 2.400 0.958 0.376 0.839 0.355 CB 1.677 32 residues pruned to eliminate duplicates Z: 86 62.234 2.292 0.775 0.594 0.953 0.624 CB 1.591 79 residues pruned to eliminate duplicates Z: 16 21.639 1.984 0.452 0.844 0.933 0.600 CB 1.546 Z: 14 23.200 2.000 0.931 0.821 0.923 0.846 CB 1.367 14 residues pruned to eliminate duplicates Z: 21 54.746 2.430 1.031 0.899 1.000 0.750 CA 1.772 21 residues pruned to eliminate duplicates Z: 17 27.352 2.035 0.884 0.788 0.938 0.562 CB 1.477 14 residues pruned to eliminate duplicates Z: 14 15.950 2.245 0.747 0.375 0.769 0.692 CB 1.675 Z: 16 38.038 2.374 1.019 0.851 0.933 0.933 CA 1.625 16 residues pruned to eliminate duplicates Z: 11 27.645 2.416 0.576 0.897 1.000 0.900 CB 1.644 11 residues pruned to eliminate duplicates Z: 17 30.576 2.132 0.837 0.779 0.938 0.688 CA 1.628 16 residues pruned to eliminate duplicates Z: 19 27.632 2.172 0.716 0.757 0.889 0.611 CB 1.564 19 residues pruned to eliminate duplicates Z: 13 32.995 2.452 0.546 0.933 1.000 0.917 CB 1.753 13 residues pruned to eliminate duplicates Z: 27 29.909 2.358 0.735 0.405 0.923 0.346 CA 1.716 9 residues pruned to eliminate duplicates Z: 15 45.984 2.462 1.054 0.896 0.929 0.857 CB 1.875 15 residues pruned to eliminate duplicates Z: 17 35.915 2.199 1.060 0.781 1.000 0.750 CA 1.548 17 residues pruned to eliminate duplicates Z: 12 20.598 2.229 0.886 0.805 0.818 0.818 CB 1.384 12 residues pruned to eliminate duplicates Z: 59 45.306 2.217 0.694 0.624 0.931 0.672 CB 1.514 28 residues pruned to eliminate duplicates Z: 14 11.429 2.102 0.414 0.334 0.769 0.692 CB 1.663 14 residues pruned to eliminate duplicates Z: 16 41.430 2.314 1.040 0.890 0.933 0.800 CA 1.746 16 residues pruned to eliminate duplicates Z: 22 40.423 2.439 0.806 0.889 0.857 0.667 CB 1.681 22 residues pruned to eliminate duplicates Z: 22 36.338 2.168 0.847 0.910 0.952 0.857 CB 1.475 22 residues pruned to eliminate duplicates Z: 12 35.580 2.370 0.895 0.858 1.000 0.818 CA 1.758 12 residues pruned to eliminate duplicates Z: 12 25.446 2.315 0.669 0.828 0.909 0.818 CB 1.645 Z: 28 47.151 2.405 0.936 0.640 0.963 0.704 CB 1.775 30 residues pruned to eliminate duplicates Z: 22 34.399 2.187 0.640 0.900 1.000 0.810 CB 1.495 22 residues pruned to eliminate duplicates Z: 16 38.818 2.364 1.069 0.823 0.933 0.733 CB 1.659 16 residues pruned to eliminate duplicates Z: 14 52.483 2.573 1.138 0.936 1.000 1.000 CB 1.842 14 residues pruned to eliminate duplicates Z: 14 23.659 2.195 0.992 0.432 0.923 0.538 CB 1.745 14 residues pruned to eliminate duplicates Z: 14 37.120 2.470 0.767 0.920 1.000 0.923 CB 1.661 14 residues pruned to eliminate duplicates Z: 15 40.298 2.338 1.136 0.925 1.000 0.786 CB 1.514 15 residues pruned to eliminate duplicates Z: 14 18.678 2.169 0.730 0.349 1.000 0.846 CB 1.626 14 residues pruned to eliminate duplicates Z: 72 50.813 2.205 0.823 0.580 0.944 0.549 CB 1.472 12 residues pruned to eliminate duplicates Z: 94 62.199 2.316 0.738 0.564 0.946 0.645 CB 1.592 85 residues pruned to eliminate duplicates Z: 15 21.775 2.272 0.937 0.496 0.929 0.571 CB 1.430 8 residues pruned to eliminate duplicates Z: 13 19.382 2.088 1.145 0.612 0.833 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 14 18.484 2.149 1.081 0.508 0.846 0.462 CB 1.344 13 residues pruned to eliminate duplicates Z: 21 37.570 2.173 1.024 0.882 0.950 0.750 CB 1.454 21 residues pruned to eliminate duplicates Z: 19 34.476 2.249 0.633 0.883 1.000 0.722 CA 1.601 19 residues pruned to eliminate duplicates Z: 15 44.341 2.422 1.087 0.880 0.929 0.714 CA 1.830 15 residues pruned to eliminate duplicates Z: 14 32.866 2.372 0.865 0.813 0.923 0.846 CB 1.701 Z: 19 48.860 2.440 1.002 0.931 0.944 0.667 CB 1.744 19 residues pruned to eliminate duplicates Z: 17 29.899 2.155 0.776 0.780 1.000 0.625 CB 1.526 17 residues pruned to eliminate duplicates Z: 14 33.514 2.481 0.517 0.936 1.000 0.923 CB 1.720 14 residues pruned to eliminate duplicates Z: 15 13.918 2.178 0.876 0.312 0.786 0.286 CB 1.427 15 residues pruned to eliminate duplicates Z: 36 37.208 2.167 0.700 0.852 0.914 0.686 CB 1.381 21 residues pruned to eliminate duplicates Z: 12 24.017 2.150 0.857 0.893 0.909 0.909 CB 1.432 12 residues pruned to eliminate duplicates Z: 13 21.746 2.202 0.579 0.866 0.917 0.750 CB 1.441 13 residues pruned to eliminate duplicates Z: 10 15.261 1.963 0.863 0.526 0.889 0.333 CA 1.525 9 residues pruned to eliminate duplicates Z: 17 17.762 1.986 0.251 0.896 0.938 0.875 CB 1.366 17 residues pruned to eliminate duplicates Z: 17 35.873 2.182 0.991 0.857 1.000 0.812 CB 1.521 17 residues pruned to eliminate duplicates Z: 12 29.433 2.430 0.743 0.810 0.909 0.636 CA 1.759 12 residues pruned to eliminate duplicates Z: 15 24.724 2.038 0.629 0.840 1.000 0.857 CB 1.485 15 residues pruned to eliminate duplicates Z: 12 28.732 2.236 0.893 0.840 1.000 1.000 CB 1.528 12 residues pruned to eliminate duplicates Z: 19 30.546 2.297 0.503 0.893 0.944 0.778 CA 1.586 19 residues pruned to eliminate duplicates Z: 39 34.583 2.106 0.748 0.650 0.868 0.711 CB 1.526 34 residues pruned to eliminate duplicates Z: 16 28.966 2.011 0.694 0.901 1.000 0.533 CB 1.566 16 residues pruned to eliminate duplicates Z: 7 3.462 1.822 0.248 0.782 0.500 0.500 CB 0.970 7 residues pruned to eliminate duplicates Z: 72 66.478 2.384 0.793 0.673 0.972 0.676 CB 1.620 72 residues pruned to eliminate duplicates Z: 38 49.377 2.312 0.748 0.842 0.919 0.676 CB 1.629 38 residues pruned to eliminate duplicates Z: 16 43.400 2.392 1.128 0.815 1.000 0.867 CB 1.675 16 residues pruned to eliminate duplicates Z: 15 32.746 2.394 0.992 0.774 0.857 0.571 CB 1.681 16 residues pruned to eliminate duplicates Z: 32 35.845 2.394 0.814 0.540 0.903 0.677 CB 1.578 32 residues pruned to eliminate duplicates Z: 17 29.398 1.961 0.924 0.925 1.000 0.438 CB 1.367 17 residues pruned to eliminate duplicates Z: 16 23.734 2.021 0.613 0.911 0.933 0.800 CB 1.428 Z: 16 23.464 2.077 0.280 0.930 1.000 0.933 CB 1.593 15 residues pruned to eliminate duplicates Z: 15 45.546 2.545 1.041 0.883 0.929 0.929 CB 1.825 15 residues pruned to eliminate duplicates Z: 14 23.946 2.064 0.646 0.894 0.923 0.923 CA 1.518 13 residues pruned to eliminate duplicates Z: 15 42.948 2.375 1.274 0.931 0.857 0.857 CA 1.732 15 residues pruned to eliminate duplicates Z: 13 25.811 2.226 0.745 0.779 0.917 0.583 CA 1.636 13 residues pruned to eliminate duplicates Z: 16 44.601 2.333 1.160 0.928 1.000 0.800 CB 1.601 16 residues pruned to eliminate duplicates Z: 27 31.904 2.272 0.830 0.538 0.923 0.615 CB 1.570 27 residues pruned to eliminate duplicates Z: 67 52.326 2.183 0.911 0.619 0.909 0.606 CB 1.517 93 residues pruned to eliminate duplicates Z: 16 26.139 1.953 0.832 0.850 0.933 0.733 CB 1.497 16 residues pruned to eliminate duplicates Z: 51 39.331 2.185 0.660 0.674 0.920 0.680 CB 1.420 37 residues pruned to eliminate duplicates Z: 13 30.474 2.490 0.584 0.934 0.917 0.917 CB 1.697 13 residues pruned to eliminate duplicates Z: 12 22.140 2.410 0.288 0.818 0.909 0.636 CA 1.795 12 residues pruned to eliminate duplicates Z: 21 45.468 2.392 0.873 0.904 0.900 0.700 CA 1.796 21 residues pruned to eliminate duplicates Z: 15 47.124 2.478 1.276 0.913 0.857 0.857 CB 1.843 15 residues pruned to eliminate duplicates Z: 39 46.441 2.261 0.615 0.880 0.921 0.711 CB 1.623 39 residues pruned to eliminate duplicates Z: 16 14.276 2.096 0.602 0.496 0.800 0.533 CB 1.377 Z: 6 10.075 1.973 0.897 0.471 0.800 0.800 CB 1.549 6 residues pruned to eliminate duplicates Z: 17 22.380 1.972 0.367 0.899 1.000 0.438 CB 1.483 17 residues pruned to eliminate duplicates Z: 31 33.832 2.345 0.856 0.427 0.867 0.433 CB 1.767 31 residues pruned to eliminate duplicates Z: 25 37.736 2.436 0.830 0.485 0.917 0.500 CA 1.913 Z: 25 37.134 2.440 0.959 0.491 0.875 0.583 CB 1.828 24 residues pruned to eliminate duplicates Z: 16 23.129 2.080 0.949 0.511 1.000 0.667 CB 1.458 19 residues pruned to eliminate duplicates Z: 14 26.135 2.417 0.612 0.685 0.923 0.692 CB 1.700 14 residues pruned to eliminate duplicates Z: 21 33.179 2.250 0.659 0.911 0.950 0.900 CB 1.482 21 residues pruned to eliminate duplicates Z: 17 22.711 2.265 0.611 0.486 0.938 0.562 CB 1.683 15 residues pruned to eliminate duplicates Z: 16 40.445 2.319 1.008 0.851 0.933 0.533 CB 1.778 16 residues pruned to eliminate duplicates Z: 14 37.307 2.430 0.813 0.911 1.000 0.615 CB 1.665 14 residues pruned to eliminate duplicates Z: 99 46.861 2.117 0.753 0.563 0.867 0.612 CB 1.384 39 residues pruned to eliminate duplicates Z: 19 36.615 2.311 1.058 0.548 1.000 0.611 CA 1.731 21 residues pruned to eliminate duplicates Z: 12 23.160 2.504 0.435 0.843 0.818 0.727 CB 1.769 12 residues pruned to eliminate duplicates Z: 7 6.789 2.076 1.071 0.405 0.500 0.500 CB 1.425 7 residues pruned to eliminate duplicates Z: 32 37.214 2.354 0.846 0.526 0.903 0.581 CB 1.661 32 residues pruned to eliminate duplicates Z: 27 23.132 2.071 1.113 0.362 0.769 0.423 CB 1.564 27 residues pruned to eliminate duplicates Z: 17 24.094 1.966 0.636 0.910 0.875 0.625 CB 1.518 17 residues pruned to eliminate duplicates Z: 17 19.855 2.122 0.664 0.590 0.938 0.625 CB 1.375 16 residues pruned to eliminate duplicates Z: 16 21.923 1.944 0.773 0.844 0.933 0.800 CB 1.309 17 residues pruned to eliminate duplicates Z: 36 38.789 2.160 0.771 0.862 0.943 0.743 CB 1.335 36 residues pruned to eliminate duplicates Z: 36 35.485 2.223 0.692 0.564 0.943 0.686 CB 1.589 36 residues pruned to eliminate duplicates Z: 9 9.255 1.935 0.807 0.443 0.750 0.500 CA 1.324 9 residues pruned to eliminate duplicates Z: 18 25.472 1.878 0.987 0.880 0.941 0.176 CB 1.275 18 residues pruned to eliminate duplicates Z: 13 29.530 2.236 0.896 0.779 1.000 0.750 CB 1.572 13 residues pruned to eliminate duplicates Z: 15 29.274 2.071 0.721 0.903 1.000 0.714 CB 1.565 15 residues pruned to eliminate duplicates Z: 29 39.354 2.385 0.883 0.546 0.929 0.607 CB 1.704 31 residues pruned to eliminate duplicates Z: 16 30.915 2.006 0.773 0.916 1.000 0.733 CB 1.586 16 residues pruned to eliminate duplicates Z: 29 39.268 2.470 1.021 0.417 0.893 0.429 CB 1.817 25 residues pruned to eliminate duplicates Z: 21 36.290 2.299 0.690 0.885 0.950 0.900 CA 1.588 21 residues pruned to eliminate duplicates Z: 31 33.996 2.354 0.866 0.529 0.833 0.533 CB 1.648 31 residues pruned to eliminate duplicates Z: 18 28.743 1.988 0.630 0.933 1.000 0.882 CB 1.500 18 residues pruned to eliminate duplicates Z: 14 21.579 2.178 0.930 0.726 0.769 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 63 56.818 2.339 0.739 0.559 0.952 0.613 CB 1.760 86 residues pruned to eliminate duplicates Z: 19 16.346 1.817 0.620 0.517 1.000 0.556 CB 1.287 Z: 13 13.294 2.017 0.139 0.909 1.000 0.833 CB 1.186 13 residues pruned to eliminate duplicates Z: 20 22.273 2.064 0.727 0.460 0.947 0.737 CB 1.576 Z: 15 24.479 2.099 0.511 0.918 1.000 0.857 CB 1.455 15 residues pruned to eliminate duplicates Z: 14 16.692 1.939 0.719 0.509 1.000 0.692 CB 1.377 Z: 21 40.406 2.230 0.811 0.930 1.000 0.800 CB 1.564 21 residues pruned to eliminate duplicates Z: 13 22.605 2.236 0.715 0.824 0.917 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 17 24.782 2.003 0.391 0.922 1.000 0.875 CB 1.563 17 residues pruned to eliminate duplicates Z: 31 20.460 1.957 0.822 0.463 0.867 0.600 CB 1.254 4 residues pruned to eliminate duplicates Z: 30 26.752 2.228 0.864 0.410 0.828 0.483 CB 1.589 30 residues pruned to eliminate duplicates Z: 13 31.110 2.436 0.711 0.797 1.000 0.583 CA 1.662 13 residues pruned to eliminate duplicates Z: 76 52.054 2.238 0.831 0.581 0.920 0.613 CB 1.475 76 residues pruned to eliminate duplicates Z: 28 28.393 2.276 0.707 0.454 0.889 0.556 CB 1.658 28 residues pruned to eliminate duplicates Z: 17 21.229 1.880 0.642 0.870 0.938 0.812 CB 1.339 17 residues pruned to eliminate duplicates Z: 13 21.249 2.172 0.460 0.793 0.917 0.750 CA 1.632 13 residues pruned to eliminate duplicates Z: 92 57.996 2.195 0.918 0.565 0.923 0.571 CB 1.469 92 residues pruned to eliminate duplicates Z: 11 11.921 2.314 0.433 0.390 0.800 0.600 CB 1.596 11 residues pruned to eliminate duplicates Z: 15 42.453 2.299 1.332 0.942 1.000 0.857 CB 1.467 15 residues pruned to eliminate duplicates Z: 29 36.044 2.359 0.811 0.573 0.929 0.643 CB 1.600 29 residues pruned to eliminate duplicates Z: 37 44.684 2.321 0.636 0.829 0.917 0.694 CB 1.610 37 residues pruned to eliminate duplicates Z: 33 34.406 2.349 0.851 0.510 0.875 0.562 CB 1.583 33 residues pruned to eliminate duplicates Z: 39 52.215 2.303 0.767 0.869 0.947 0.763 CB 1.605 39 residues pruned to eliminate duplicates Z: 19 20.735 1.993 0.701 0.561 0.944 0.778 CB 1.439 Z: 16 27.995 2.248 0.797 0.734 0.867 0.600 CB 1.674 16 residues pruned to eliminate duplicates Z: 16 26.712 2.078 0.593 0.935 0.933 0.933 CB 1.556 16 residues pruned to eliminate duplicates Z: 38 38.887 2.296 0.408 0.871 0.919 0.811 CB 1.569 38 residues pruned to eliminate duplicates Z: 14 17.947 2.228 0.912 0.380 0.846 0.615 CB 1.568 15 residues pruned to eliminate duplicates Z: 15 26.332 2.130 0.545 0.949 1.000 0.857 CB 1.476 15 residues pruned to eliminate duplicates Z: 21 26.338 2.333 0.786 0.466 0.850 0.450 CA 1.720 21 residues pruned to eliminate duplicates Z: 36 38.316 2.162 0.662 0.829 1.000 0.743 CB 1.356 36 residues pruned to eliminate duplicates Z: 15 8.010 2.041 0.299 0.319 0.786 0.357 CB 1.254 6 residues pruned to eliminate duplicates Z: 104 59.060 2.176 0.740 0.687 0.922 0.670 CB 1.403 88 residues pruned to eliminate duplicates Z: 30 36.268 2.430 0.915 0.439 0.897 0.552 CB 1.719 30 residues pruned to eliminate duplicates Z: 13 12.400 2.112 0.523 0.329 0.833 0.333 CB 1.611 13 residues pruned to eliminate duplicates Z: 17 26.450 1.952 0.722 0.914 0.938 0.875 CB 1.485 17 residues pruned to eliminate duplicates Z: 6 3.727 1.626 0.205 0.740 0.600 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 14 14.341 1.961 0.631 0.380 0.923 0.462 CB 1.531 14 residues pruned to eliminate duplicates Z: 11 16.117 2.108 0.814 0.525 0.900 0.700 CB 1.445 11 residues pruned to eliminate duplicates Z: 22 30.434 2.140 0.707 0.833 0.952 0.571 CB 1.432 22 residues pruned to eliminate duplicates Z: 17 25.149 1.973 0.523 0.911 1.000 0.938 CB 1.483 17 residues pruned to eliminate duplicates Z: 7 4.781 1.974 -0.118 0.581 0.833 0.667 CB 1.244 Z: 13 23.607 2.069 0.906 0.850 0.833 0.750 CA 1.535 13 residues pruned to eliminate duplicates Z: 13 27.350 2.239 0.908 0.782 0.917 0.583 CB 1.573 13 residues pruned to eliminate duplicates Z: 16 12.585 2.109 0.739 0.362 0.867 0.467 CB 1.186 15 residues pruned to eliminate duplicates Z: 13 33.606 2.423 1.011 0.645 0.917 0.500 CB 1.897 13 residues pruned to eliminate duplicates Z: 26 39.417 2.318 0.937 0.622 1.000 0.760 CB 1.565 26 residues pruned to eliminate duplicates Z: 105 52.242 2.151 0.631 0.657 0.913 0.712 CB 1.382 105 residues pruned to eliminate duplicates Z: 20 41.721 2.254 1.060 0.911 0.947 0.789 CB 1.542 20 residues pruned to eliminate duplicates Z: 91 58.498 2.200 0.867 0.575 0.944 0.622 CB 1.478 91 residues pruned to eliminate duplicates Z: 16 41.424 2.396 1.184 0.857 0.933 0.867 CB 1.614 16 residues pruned to eliminate duplicates Z: 38 51.479 2.352 0.641 0.875 0.973 0.784 CB 1.639 38 residues pruned to eliminate duplicates Z: 31 28.799 2.214 0.688 0.506 0.867 0.633 CB 1.613 31 residues pruned to eliminate duplicates Z: 19 20.768 1.958 0.689 0.566 1.000 0.722 CB 1.390 19 residues pruned to eliminate duplicates Z: 11 28.859 2.284 1.083 0.823 0.900 0.500 CB 1.611 11 residues pruned to eliminate duplicates Z: 17 27.950 2.034 0.578 0.935 1.000 0.812 CB 1.517 17 residues pruned to eliminate duplicates Z: 16 20.840 1.966 0.518 0.928 1.000 0.800 CB 1.263 16 residues pruned to eliminate duplicates Z: 23 43.996 2.422 0.704 0.871 0.955 0.682 CB 1.736 23 residues pruned to eliminate duplicates Z: 16 41.719 2.390 1.129 0.847 0.933 0.867 CB 1.684 15 residues pruned to eliminate duplicates Z: 8 4.243 1.950 -0.036 0.602 0.857 0.571 CB 0.903 7 residues pruned to eliminate duplicates Z: 14 36.151 2.457 0.570 0.934 1.000 0.923 CA 1.812 14 residues pruned to eliminate duplicates Z: 30 21.948 2.046 0.737 0.469 0.897 0.586 CB 1.320 30 residues pruned to eliminate duplicates Z: 19 22.252 2.127 0.555 0.838 0.889 0.778 CB 1.334 19 residues pruned to eliminate duplicates Z: 7 8.040 1.888 0.912 0.534 0.833 0.667 CA 1.056 7 residues pruned to eliminate duplicates Z: 31 22.442 2.062 0.844 0.500 0.833 0.467 CB 1.293 31 residues pruned to eliminate duplicates Z: 111 54.004 2.165 0.867 0.505 0.900 0.591 CB 1.408 111 residues pruned to eliminate duplicates Z: 99 57.192 2.169 0.896 0.562 0.939 0.592 CB 1.409 99 residues pruned to eliminate duplicates Z: 16 25.615 2.024 0.670 0.891 1.000 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 29 38.581 2.423 0.830 0.542 0.929 0.750 CB 1.700 29 residues pruned to eliminate duplicates Z: 14 26.578 2.338 0.433 0.925 1.000 1.000 CB 1.544 14 residues pruned to eliminate duplicates Z: 29 21.324 2.154 0.893 0.454 0.821 0.429 CB 1.261 31 residues pruned to eliminate duplicates Z: 10 30.409 2.121 1.310 0.852 1.000 0.889 CA 1.530 10 residues pruned to eliminate duplicates Z: 10 21.453 2.566 0.446 0.857 0.889 0.556 CB 1.597 10 residues pruned to eliminate duplicates Z: 17 17.850 2.211 0.599 0.502 0.938 0.562 CB 1.343 17 residues pruned to eliminate duplicates Z: 36 33.019 2.108 0.780 0.641 0.914 0.800 CB 1.426 36 residues pruned to eliminate duplicates Z: 33 37.265 2.350 0.881 0.515 0.906 0.562 CB 1.620 33 residues pruned to eliminate duplicates Z: 17 18.569 1.882 0.478 0.904 1.000 0.875 CB 1.189 17 residues pruned to eliminate duplicates Z: 7 16.435 2.237 0.471 0.719 1.000 0.833 CB 1.673 7 residues pruned to eliminate duplicates Z: 25 31.773 2.197 0.625 0.814 1.000 0.750 CB 1.383 25 residues pruned to eliminate duplicates Z: 17 28.043 2.040 0.567 0.921 1.000 0.938 CB 1.544 17 residues pruned to eliminate duplicates Z: 15 19.398 2.079 0.769 0.523 0.929 0.714 CB 1.483 15 residues pruned to eliminate duplicates Z: 6 4.201 1.960 0.053 0.477 0.600 0.600 CA 1.553 6 residues pruned to eliminate duplicates Z: 39 45.241 2.281 0.600 0.866 0.895 0.684 CB 1.645 39 residues pruned to eliminate duplicates Z: 91 47.116 2.097 0.739 0.580 0.889 0.556 CB 1.419 81 residues pruned to eliminate duplicates Z: 13 35.697 2.390 0.942 0.821 1.000 0.750 CB 1.680 13 residues pruned to eliminate duplicates Z: 52 43.514 2.345 0.681 0.618 0.922 0.667 CB 1.500 52 residues pruned to eliminate duplicates Z: 10 30.405 2.264 0.933 0.918 1.000 0.778 CA 1.633 10 residues pruned to eliminate duplicates Z: 13 27.768 2.119 0.943 0.860 1.000 0.750 CB 1.431 13 residues pruned to eliminate duplicates Z: 15 13.600 1.957 0.524 0.356 0.929 0.500 CB 1.533 12 residues pruned to eliminate duplicates Z: 7 18.956 2.086 1.211 0.660 1.000 0.667 CB 1.447 7 residues pruned to eliminate duplicates Z: 20 39.303 2.308 0.720 0.918 1.000 0.789 CB 1.602 20 residues pruned to eliminate duplicates Z: 53 31.609 2.130 0.745 0.495 0.942 0.615 CB 1.258 53 residues pruned to eliminate duplicates Z: 9 12.031 1.928 0.380 0.816 1.000 0.750 CB 1.215 8 residues pruned to eliminate duplicates Z: 13 19.718 2.326 0.597 0.458 0.917 0.500 CA 1.745 13 residues pruned to eliminate duplicates Z: 18 43.714 2.521 0.886 0.714 1.000 0.765 CB 1.838 18 residues pruned to eliminate duplicates Z: 11 21.104 2.065 1.468 0.501 0.900 0.700 CB 1.454 11 residues pruned to eliminate duplicates Z: 14 27.578 2.264 0.690 0.857 0.923 0.538 CB 1.596 14 residues pruned to eliminate duplicates Z: 43 40.060 2.179 0.874 0.603 0.905 0.595 CB 1.517 43 residues pruned to eliminate duplicates Z: 14 35.888 2.474 0.991 0.665 1.000 0.692 CB 1.735 14 residues pruned to eliminate duplicates Z: 12 23.265 2.086 0.848 0.837 1.000 0.545 CB 1.361 12 residues pruned to eliminate duplicates Z: 24 24.772 1.931 0.877 0.651 0.870 0.652 CA 1.424 28 residues pruned to eliminate duplicates Z: 12 15.387 1.982 0.455 0.923 1.000 1.000 CB 1.131 12 residues pruned to eliminate duplicates Z: 18 18.976 1.739 0.808 0.776 0.882 0.765 CA 1.301 18 residues pruned to eliminate duplicates Z: 44 40.479 2.314 1.020 0.494 0.860 0.558 CB 1.545 45 residues pruned to eliminate duplicates Z: 38 47.993 2.338 0.584 0.870 0.946 0.811 CB 1.645 38 residues pruned to eliminate duplicates Z: 17 33.736 1.954 1.185 0.911 1.000 0.750 CB 1.401 17 residues pruned to eliminate duplicates Z: 16 22.861 1.992 0.311 0.900 1.000 0.800 CB 1.615 16 residues pruned to eliminate duplicates Z: 30 34.466 2.354 0.730 0.538 0.897 0.655 CB 1.689 30 residues pruned to eliminate duplicates Z: 18 34.034 2.027 0.901 0.914 1.000 0.765 CB 1.515 18 residues pruned to eliminate duplicates Z: 11 8.080 2.074 0.826 0.305 0.700 0.400 CB 1.197 11 residues pruned to eliminate duplicates Z: 13 45.897 2.500 1.145 0.940 1.000 0.750 CB 1.717 13 residues pruned to eliminate duplicates Z: 16 8.006 1.905 0.353 0.363 0.733 0.467 CB 1.267 16 residues pruned to eliminate duplicates Z: 66 47.931 2.300 0.743 0.557 0.923 0.662 CB 1.520 66 residues pruned to eliminate duplicates Z: 30 24.608 2.219 0.649 0.396 0.897 0.517 CB 1.554 30 residues pruned to eliminate duplicates Z: 22 35.639 2.404 0.763 0.617 1.000 0.714 CB 1.644 21 residues pruned to eliminate duplicates Z: 97 53.084 2.151 0.907 0.540 0.875 0.583 CB 1.452 97 residues pruned to eliminate duplicates Z: 14 27.981 2.085 0.842 0.839 1.000 0.692 CB 1.509 14 residues pruned to eliminate duplicates Z: 14 28.510 2.276 1.122 0.648 1.000 0.615 CB 1.427 14 residues pruned to eliminate duplicates Z: 18 16.419 1.889 0.677 0.482 0.941 0.765 CB 1.361 19 residues pruned to eliminate duplicates Z: 14 12.428 1.949 0.547 0.422 0.923 0.615 CB 1.343 14 residues pruned to eliminate duplicates Z: 22 27.921 2.319 0.897 0.472 0.857 0.429 CA 1.662 22 residues pruned to eliminate duplicates Z: 24 19.355 1.994 0.593 0.463 0.870 0.565 CB 1.518 25 residues pruned to eliminate duplicates Z: 24 15.878 2.096 0.555 0.369 0.783 0.391 CA 1.493 24 residues pruned to eliminate duplicates Z: 24 38.891 2.374 0.669 0.791 0.957 0.696 CB 1.657 24 residues pruned to eliminate duplicates Z: 13 29.245 2.065 1.095 0.864 0.917 0.917 CA 1.560 13 residues pruned to eliminate duplicates Z: 16 27.752 2.112 0.835 0.807 1.000 0.667 CA 1.415 16 residues pruned to eliminate duplicates Z: 15 30.360 2.253 0.817 0.857 0.929 0.714 CB 1.573 15 residues pruned to eliminate duplicates Z: 12 16.125 2.127 0.749 0.872 0.909 0.727 CB 1.048 12 residues pruned to eliminate duplicates Z: 33 31.329 2.225 1.027 0.421 0.875 0.406 CB 1.524 33 residues pruned to eliminate duplicates Z: 107 67.783 2.301 0.714 0.634 0.934 0.698 CB 1.576 107 residues pruned to eliminate duplicates Z: 65 54.347 2.348 0.761 0.597 0.891 0.719 CB 1.682 65 residues pruned to eliminate duplicates Z: 17 22.024 2.008 0.356 0.940 1.000 0.875 CB 1.405 17 residues pruned to eliminate duplicates Z: 38 36.789 2.296 0.798 0.536 0.865 0.649 CB 1.636 38 residues pruned to eliminate duplicates Z: 17 33.031 2.042 0.869 0.916 1.000 0.500 CB 1.529 17 residues pruned to eliminate duplicates Z: 11 13.495 1.765 0.693 0.692 1.000 0.800 CB 1.199 11 residues pruned to eliminate duplicates Z: 12 20.754 2.494 0.403 0.852 0.818 0.455 CB 1.617 12 residues pruned to eliminate duplicates Z: 15 25.623 1.973 0.940 0.784 0.929 0.571 CB 1.501 15 residues pruned to eliminate duplicates Z: 17 29.385 2.166 0.748 0.788 1.000 0.562 CB 1.506 17 residues pruned to eliminate duplicates Z: 30 44.818 2.397 0.892 0.597 1.000 0.621 CB 1.674 30 residues pruned to eliminate duplicates Z: 38 26.124 2.039 0.835 0.531 0.838 0.541 CB 1.329 38 residues pruned to eliminate duplicates Z: 6 5.544 1.815 0.277 0.660 0.800 0.600 CA 1.152 6 residues pruned to eliminate duplicates Z: 15 34.475 2.208 0.872 0.857 1.000 0.714 CA 1.642 15 residues pruned to eliminate duplicates Z: 10 12.901 1.820 0.740 0.631 0.889 0.667 CB 1.351 10 residues pruned to eliminate duplicates Z: 21 16.687 2.215 0.769 0.545 0.800 0.550 CB 1.139 21 residues pruned to eliminate duplicates Z: 14 26.877 2.115 0.933 0.794 0.846 0.462 CB 1.665 14 residues pruned to eliminate duplicates Z: 36 30.514 2.232 0.551 0.597 0.857 0.543 CA 1.585 36 residues pruned to eliminate duplicates Z: 14 26.793 2.078 0.846 0.836 0.923 0.615 CA 1.571 14 residues pruned to eliminate duplicates Z: 14 11.200 2.019 1.043 0.354 0.615 0.538 CA 1.433 14 residues pruned to eliminate duplicates Z: 92 56.062 2.187 0.908 0.568 0.923 0.626 CB 1.429 92 residues pruned to eliminate duplicates Z: 21 40.655 2.309 0.852 0.913 0.950 0.700 CB 1.584 21 residues pruned to eliminate duplicates Z: 80 46.052 2.187 0.661 0.644 0.886 0.608 CB 1.407 80 residues pruned to eliminate duplicates Z: 16 48.489 2.318 1.307 0.876 1.000 0.867 CA 1.701 16 residues pruned to eliminate duplicates Z: 91 62.702 2.194 0.960 0.579 0.956 0.589 CB 1.490 91 residues pruned to eliminate duplicates Z: 21 19.236 2.141 0.576 0.550 0.850 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 19 26.330 2.410 0.764 0.531 0.889 0.611 CB 1.593 19 residues pruned to eliminate duplicates Z: 98 52.723 2.152 0.828 0.554 0.887 0.598 CB 1.457 98 residues pruned to eliminate duplicates Z: 12 16.331 1.755 0.799 0.838 1.000 0.818 CB 1.166 12 residues pruned to eliminate duplicates Z: 16 20.975 2.183 0.950 0.535 0.867 0.467 CB 1.418 16 residues pruned to eliminate duplicates Z: 14 25.544 2.056 0.819 0.812 0.923 0.692 CB 1.564 14 residues pruned to eliminate duplicates Z: 21 16.323 2.057 0.556 0.479 0.850 0.550 CB 1.371 21 residues pruned to eliminate duplicates Z: 28 27.626 2.234 0.818 0.362 0.889 0.593 CB 1.708 28 residues pruned to eliminate duplicates Z: 17 35.349 2.179 0.877 0.857 1.000 0.750 CA 1.593 17 residues pruned to eliminate duplicates Z: 36 33.844 2.150 0.747 0.589 0.886 0.743 CB 1.579 36 residues pruned to eliminate duplicates Z: 6 5.195 1.517 0.526 0.568 0.800 0.400 CB 1.175 6 residues pruned to eliminate duplicates Z: 36 29.780 2.153 0.295 0.871 0.943 0.743 CB 1.397 36 residues pruned to eliminate duplicates Z: 20 48.874 2.481 0.716 0.934 1.000 0.842 CB 1.836 20 residues pruned to eliminate duplicates Z: 89 50.357 2.152 0.882 0.557 0.886 0.580 CB 1.415 89 residues pruned to eliminate duplicates Z: 6 10.658 1.750 0.602 0.805 1.000 1.000 N 1.302 6 residues pruned to eliminate duplicates Z: 17 32.884 2.057 0.813 0.929 1.000 0.875 CB 1.542 17 residues pruned to eliminate duplicates Z: 20 38.702 2.310 0.815 0.928 0.947 0.789 CB 1.565 20 residues pruned to eliminate duplicates Z: 13 15.692 1.989 0.682 0.533 0.833 0.583 CB 1.573 13 residues pruned to eliminate duplicates Z: 22 22.097 2.092 1.063 0.507 0.762 0.476 CB 1.456 22 residues pruned to eliminate duplicates Z: 25 27.608 2.306 0.800 0.440 0.833 0.542 CB 1.733 25 residues pruned to eliminate duplicates Z: 28 27.191 2.328 0.726 0.442 0.889 0.556 CB 1.555 28 residues pruned to eliminate duplicates Z: 14 25.577 1.757 1.055 0.917 1.000 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 23.124 1.939 0.560 0.908 1.000 0.812 CB 1.358 17 residues pruned to eliminate duplicates Z: 89 59.696 2.336 0.685 0.645 0.943 0.705 CB 1.497 79 residues pruned to eliminate duplicates Z: 17 19.887 1.994 0.249 0.937 1.000 0.875 CB 1.389 17 residues pruned to eliminate duplicates Z: 17 31.909 2.044 0.814 0.922 1.000 0.875 CB 1.513 17 residues pruned to eliminate duplicates Z: 20 26.723 2.339 0.760 0.433 0.947 0.474 CB 1.685 20 residues pruned to eliminate duplicates Z: 17 30.150 2.036 0.600 0.942 1.000 0.938 CB 1.604 17 residues pruned to eliminate duplicates Z: 30 33.998 2.291 0.799 0.574 0.862 0.621 CB 1.655 30 residues pruned to eliminate duplicates Z: 46 31.048 2.162 0.588 0.462 0.933 0.578 CB 1.501 46 residues pruned to eliminate duplicates Z: 84 51.664 2.178 0.726 0.637 0.940 0.639 CB 1.411 84 residues pruned to eliminate duplicates Z: 48 31.979 2.103 0.798 0.537 0.872 0.660 CB 1.363 48 residues pruned to eliminate duplicates Z: 13 24.785 2.177 0.583 0.818 1.000 0.833 CB 1.576 13 residues pruned to eliminate duplicates Z: 110 54.600 2.132 0.915 0.515 0.908 0.541 CB 1.390 110 residues pruned to eliminate duplicates Z: 103 49.924 2.118 0.786 0.546 0.922 0.657 CB 1.355 102 residues pruned to eliminate duplicates Z: 84 57.402 2.236 0.918 0.570 0.928 0.627 CB 1.480 84 residues pruned to eliminate duplicates Z: 16 23.855 1.912 0.808 0.795 1.000 0.667 CA 1.376 16 residues pruned to eliminate duplicates Z: 25 30.841 2.310 0.786 0.566 0.875 0.667 CB 1.636 25 residues pruned to eliminate duplicates Z: 16 37.397 2.274 0.983 0.763 1.000 0.733 CB 1.695 16 residues pruned to eliminate duplicates Z: 14 23.172 2.018 0.787 0.813 0.923 0.692 CB 1.470 14 residues pruned to eliminate duplicates Z: 16 31.987 2.072 0.794 0.933 1.000 0.867 CB 1.550 16 residues pruned to eliminate duplicates Z: 17 21.848 2.019 0.525 0.881 0.938 0.750 CB 1.370 17 residues pruned to eliminate duplicates Z: 11 32.973 2.490 0.721 0.834 1.000 0.900 CB 1.823 11 residues pruned to eliminate duplicates Z: 14 26.308 2.265 0.609 0.874 0.923 0.923 CB 1.578 14 residues pruned to eliminate duplicates Z: 11 22.773 2.280 0.325 0.894 1.000 0.800 CB 1.711 11 residues pruned to eliminate duplicates Z: 17 23.220 2.053 0.469 0.937 0.938 0.875 CB 1.429 17 residues pruned to eliminate duplicates Z: 15 15.878 2.079 0.926 0.454 0.714 0.571 CB 1.555 15 residues pruned to eliminate duplicates Z: 12 19.599 2.303 0.752 0.483 0.818 0.455 CA 1.820 12 residues pruned to eliminate duplicates Z: 15 20.163 2.026 0.667 0.826 0.857 0.786 CB 1.405 15 residues pruned to eliminate duplicates Z: 14 29.204 2.310 0.873 0.820 0.923 0.846 CB 1.536 14 residues pruned to eliminate duplicates Z: 17 23.865 1.932 0.673 0.907 1.000 0.812 CB 1.312 17 residues pruned to eliminate duplicates Z: 16 16.283 2.028 0.731 0.483 0.800 0.533 CA 1.523 16 residues pruned to eliminate duplicates Z: 32 36.432 2.326 0.630 0.604 0.903 0.645 CB 1.731 32 residues pruned to eliminate duplicates Z: 69 50.922 2.205 0.929 0.573 0.882 0.574 CB 1.533 69 residues pruned to eliminate duplicates Z: 8 5.662 1.454 0.780 0.453 0.714 0.571 O 1.214 Z: 60 44.464 2.232 0.677 0.651 0.949 0.644 CB 1.416 60 residues pruned to eliminate duplicates Z: 10 10.073 1.778 0.661 0.686 0.778 0.444 CB 1.232 10 residues pruned to eliminate duplicates Z: 6 5.046 1.777 0.201 0.527 0.800 0.400 CA 1.287 6 residues pruned to eliminate duplicates Z: 26 30.250 2.304 0.650 0.583 0.960 0.680 CB 1.531 24 residues pruned to eliminate duplicates Z: 16 32.308 2.210 0.872 0.852 1.000 0.733 CB 1.491 16 residues pruned to eliminate duplicates Z: 30 39.993 2.392 0.849 0.556 0.966 0.690 CB 1.647 30 residues pruned to eliminate duplicates Z: 13 25.346 2.322 0.607 0.556 1.000 0.667 CA 1.857 13 residues pruned to eliminate duplicates Z: 18 26.132 2.168 0.766 0.493 1.000 0.706 CB 1.666 18 residues pruned to eliminate duplicates Z: 23 35.837 2.143 0.728 0.795 1.000 0.682 CA 1.594 23 residues pruned to eliminate duplicates Z: 7 3.291 1.645 0.112 0.394 0.833 0.500 CB 0.986 Z: 43 51.256 2.349 0.688 0.759 0.976 0.738 CB 1.623 43 residues pruned to eliminate duplicates Z: 19 20.840 1.996 0.818 0.472 0.944 0.556 CB 1.474 19 residues pruned to eliminate duplicates Z: 19 31.175 1.906 0.884 0.903 1.000 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 25 22.897 2.085 0.787 0.538 0.875 0.750 CB 1.381 25 residues pruned to eliminate duplicates Z: 12 8.787 2.016 0.050 0.889 1.000 0.909 CB 0.901 12 residues pruned to eliminate duplicates Z: 18 18.723 2.061 0.657 0.564 0.882 0.765 CB 1.417 18 residues pruned to eliminate duplicates Z: 8 12.163 1.777 0.584 0.852 1.000 0.571 CA 1.209 8 residues pruned to eliminate duplicates Z: 25 32.768 2.410 0.913 0.442 0.833 0.458 CA 1.848 25 residues pruned to eliminate duplicates Z: 12 12.991 2.147 0.517 0.468 0.818 0.727 CA 1.518 12 residues pruned to eliminate duplicates Z: 8 9.653 1.798 0.383 0.866 0.857 0.429 CA 1.253 8 residues pruned to eliminate duplicates Z: 34 31.207 2.274 0.829 0.477 0.879 0.545 CB 1.522 34 residues pruned to eliminate duplicates Z: 54 45.310 2.294 0.858 0.584 0.849 0.585 CB 1.587 54 residues pruned to eliminate duplicates Z: 66 38.636 2.123 0.606 0.635 0.908 0.646 CB 1.365 66 residues pruned to eliminate duplicates Z: 20 47.714 2.402 0.835 0.916 1.000 0.895 CA 1.753 20 residues pruned to eliminate duplicates Z: 24 36.874 2.326 0.706 0.684 0.957 0.739 CB 1.711 24 residues pruned to eliminate duplicates Z: 14 23.664 2.203 0.893 0.756 0.846 0.692 CB 1.481 14 residues pruned to eliminate duplicates Z: 19 23.409 2.283 0.703 0.489 0.833 0.500 CA 1.722 19 residues pruned to eliminate duplicates Z: 11 6.187 1.687 0.758 0.208 0.800 0.600 CA 1.165 11 residues pruned to eliminate duplicates Z: 15 23.036 2.036 0.419 0.891 1.000 0.714 CB 1.532 15 residues pruned to eliminate duplicates Z: 7 6.620 1.677 0.403 0.782 0.833 0.667 CB 1.075 7 residues pruned to eliminate duplicates Z: 35 33.745 2.168 0.519 0.866 0.941 0.794 CB 1.367 35 residues pruned to eliminate duplicates Z: 13 37.924 2.389 1.022 0.836 1.000 0.667 CB 1.696 13 residues pruned to eliminate duplicates Z: 9 25.671 2.302 1.075 0.654 1.000 0.625 CB 1.646 9 residues pruned to eliminate duplicates Z: 15 28.574 2.134 0.800 0.851 1.000 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 35 28.087 2.171 0.604 0.467 0.912 0.559 CB 1.569 35 residues pruned to eliminate duplicates Z: 11 14.724 2.163 0.500 0.539 1.000 0.800 CB 1.381 12 residues pruned to eliminate duplicates Z: 9 16.579 2.264 0.819 0.492 1.000 0.875 CB 1.436 9 residues pruned to eliminate duplicates Z: 29 30.955 2.040 0.979 0.617 0.964 0.571 CB 1.345 29 residues pruned to eliminate duplicates Z: 11 24.707 2.240 0.681 0.834 1.000 0.700 CA 1.555 11 residues pruned to eliminate duplicates Z: 41 35.568 2.144 0.872 0.659 0.900 0.700 CB 1.343 41 residues pruned to eliminate duplicates Z: 88 56.133 2.242 0.706 0.599 0.943 0.609 CB 1.519 88 residues pruned to eliminate duplicates Z: 11 18.483 2.146 0.829 0.895 0.900 0.600 CB 1.186 11 residues pruned to eliminate duplicates Z: 19 25.894 2.078 0.714 0.573 1.000 0.833 CB 1.597 23 residues pruned to eliminate duplicates Z: 16 8.755 1.757 0.283 0.334 0.867 0.533 O 1.388 11 residues pruned to eliminate duplicates Z: 102 53.834 2.186 0.938 0.508 0.891 0.535 CB 1.408 102 residues pruned to eliminate duplicates Z: 26 24.564 2.013 0.852 0.530 0.880 0.720 CB 1.454 24 residues pruned to eliminate duplicates Z: 38 30.197 2.078 0.865 0.582 0.838 0.486 CB 1.413 38 residues pruned to eliminate duplicates Z: 15 22.985 1.940 0.781 0.801 0.929 0.500 CB 1.472 15 residues pruned to eliminate duplicates Z: 36 28.812 2.022 0.944 0.569 0.857 0.571 CB 1.352 36 residues pruned to eliminate duplicates Z: 6 2.492 1.589 -0.149 0.460 0.800 0.800 CB 1.073 Z: 11 14.152 1.791 0.517 0.865 0.900 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 13 33.985 2.238 0.856 0.889 1.000 0.833 CA 1.701 13 residues pruned to eliminate duplicates Z: 11 31.289 2.287 0.910 0.852 1.000 0.600 CB 1.676 11 residues pruned to eliminate duplicates Z: 19 12.456 1.916 0.774 0.304 0.778 0.611 CB 1.381 22 residues pruned to eliminate duplicates Z: 12 22.314 2.436 0.447 0.817 0.909 0.636 CB 1.595 12 residues pruned to eliminate duplicates Z: 8 13.960 1.907 0.683 0.628 0.857 0.571 N 1.700 8 residues pruned to eliminate duplicates Z: 13 47.885 2.516 1.151 0.937 1.000 0.750 CB 1.777 13 residues pruned to eliminate duplicates Z: 37 30.029 2.114 0.710 0.637 0.889 0.694 CB 1.370 37 residues pruned to eliminate duplicates Z: 18 31.115 1.982 0.884 0.918 1.000 0.824 CB 1.426 18 residues pruned to eliminate duplicates Z: 15 22.772 1.992 0.749 0.773 1.000 0.571 CB 1.373 15 residues pruned to eliminate duplicates Z: 15 17.596 2.218 1.095 0.410 0.786 0.500 CB 1.415 15 residues pruned to eliminate duplicates Z: 9 7.689 1.715 0.040 0.589 1.000 0.750 CB 1.399 Z: 18 25.177 2.047 0.440 0.945 1.000 0.941 CB 1.433 18 residues pruned to eliminate duplicates Z: 38 33.469 2.229 0.687 0.577 0.865 0.622 CB 1.571 55 residues pruned to eliminate duplicates Z: 21 42.397 2.307 0.866 0.896 0.950 0.850 CA 1.661 21 residues pruned to eliminate duplicates Z: 14 22.893 2.284 0.459 0.775 1.000 0.769 CA 1.494 14 residues pruned to eliminate duplicates Z: 91 57.024 2.185 0.931 0.581 0.911 0.511 CB 1.447 91 residues pruned to eliminate duplicates Z: 17 14.874 1.991 0.418 0.835 0.938 0.688 CB 1.052 17 residues pruned to eliminate duplicates Z: 19 23.955 2.120 0.973 0.432 0.944 0.444 CB 1.533 19 residues pruned to eliminate duplicates Z: 9 12.213 1.990 0.379 0.507 0.875 0.625 CA 1.786 9 residues pruned to eliminate duplicates Z: 99 50.425 2.106 0.807 0.566 0.908 0.510 CB 1.383 99 residues pruned to eliminate duplicates Z: 10 10.680 1.974 0.747 0.578 0.778 0.667 N 1.231 Z: 20 41.212 2.293 0.876 0.931 1.000 0.842 CB 1.536 20 residues pruned to eliminate duplicates Z: 15 13.379 2.089 0.662 0.383 0.857 0.643 CB 1.360 15 residues pruned to eliminate duplicates Z: 84 46.004 2.152 0.886 0.516 0.880 0.542 CB 1.393 84 residues pruned to eliminate duplicates Z: 17 28.933 2.024 0.624 0.942 1.000 0.750 CB 1.526 17 residues pruned to eliminate duplicates Z: 90 42.423 2.076 0.691 0.506 0.910 0.562 CB 1.400 90 residues pruned to eliminate duplicates Z: 7 2.414 1.476 -0.094 0.415 0.833 0.667 CB 0.966 Z: 7 8.510 1.623 0.812 0.487 0.833 0.667 CB 1.435 8 residues pruned to eliminate duplicates Z: 13 24.592 2.125 0.875 0.913 0.833 0.583 CB 1.513 13 residues pruned to eliminate duplicates Z: 27 23.454 2.154 0.813 0.490 0.846 0.385 CB 1.407 27 residues pruned to eliminate duplicates Z: 14 22.935 2.254 0.613 0.545 1.000 0.769 CB 1.674 14 residues pruned to eliminate duplicates Z: 71 60.828 2.350 0.722 0.681 0.971 0.686 CB 1.566 71 residues pruned to eliminate duplicates Z: 29 42.045 2.384 1.080 0.474 0.964 0.679 CB 1.706 29 residues pruned to eliminate duplicates Z: 10 21.430 2.345 0.743 0.562 1.000 0.889 CB 1.645 Z: 15 21.545 1.912 0.654 0.831 0.929 0.571 CB 1.473 15 residues pruned to eliminate duplicates Z: 75 49.810 2.217 0.810 0.566 0.905 0.554 CB 1.495 75 residues pruned to eliminate duplicates Z: 14 15.381 1.881 0.398 0.932 1.000 0.923 CB 1.132 Z: 14 33.098 2.368 0.910 0.849 1.000 0.769 CB 1.505 14 residues pruned to eliminate duplicates Z: 32 17.975 1.946 0.566 0.415 0.871 0.581 CB 1.328 32 residues pruned to eliminate duplicates Z: 17 29.629 2.031 0.744 0.916 1.000 0.812 CB 1.477 17 residues pruned to eliminate duplicates Z: 27 22.539 1.865 0.504 0.694 0.923 0.731 CB 1.430 27 residues pruned to eliminate duplicates Z: 37 31.564 2.082 0.835 0.627 0.917 0.694 CB 1.333 37 residues pruned to eliminate duplicates Z: 80 32.651 2.063 0.453 0.534 0.899 0.633 CB 1.318 80 residues pruned to eliminate duplicates Z: 17 29.118 2.035 0.661 0.914 1.000 0.938 CB 1.524 17 residues pruned to eliminate duplicates Z: 6 3.330 1.521 0.272 0.299 0.800 0.400 N 1.205 Z: 13 22.114 1.960 0.543 0.869 1.000 0.750 CB 1.542 13 residues pruned to eliminate duplicates Z: 68 46.851 2.255 0.653 0.592 0.955 0.612 CB 1.472 68 residues pruned to eliminate duplicates Z: 14 20.870 2.247 0.511 0.530 1.000 0.692 CB 1.656 14 residues pruned to eliminate duplicates Z: 17 28.371 1.994 0.727 0.896 1.000 0.688 CB 1.476 17 residues pruned to eliminate duplicates Z: 18 17.542 1.915 0.661 0.493 0.941 0.529 CB 1.431 18 residues pruned to eliminate duplicates Z: 19 26.268 1.941 0.585 0.924 1.000 0.722 CA 1.413 19 residues pruned to eliminate duplicates Z: 13 25.994 2.226 0.615 0.816 1.000 0.750 CB 1.585 13 residues pruned to eliminate duplicates Z: 15 21.766 2.093 0.776 0.468 1.000 0.571 CB 1.617 13 residues pruned to eliminate duplicates Z: 50 49.224 2.405 0.732 0.574 0.898 0.673 CB 1.750 50 residues pruned to eliminate duplicates Z: 6 5.249 1.940 0.114 0.645 0.800 0.600 CB 1.185 7 residues pruned to eliminate duplicates Z: 39 53.226 2.267 0.842 0.850 0.947 0.579 CB 1.618 39 residues pruned to eliminate duplicates Z: 26 19.077 1.932 0.776 0.610 0.840 0.600 CB 1.193 26 residues pruned to eliminate duplicates Z: 74 51.665 2.201 0.931 0.587 0.904 0.589 CB 1.448 74 residues pruned to eliminate duplicates Z: 35 37.112 2.358 0.895 0.429 0.853 0.441 CB 1.798 35 residues pruned to eliminate duplicates Z: 13 29.906 2.158 1.197 0.525 1.000 0.667 CA 1.776 13 residues pruned to eliminate duplicates Z: 13 24.715 2.141 0.883 0.849 0.917 0.667 CA 1.431 13 residues pruned to eliminate duplicates Z: 14 21.254 1.990 0.626 0.861 0.923 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 28 35.824 2.347 0.680 0.530 0.926 0.704 CB 1.833 28 residues pruned to eliminate duplicates Z: 20 28.529 2.239 0.817 0.647 0.947 0.789 CB 1.481 20 residues pruned to eliminate duplicates Z: 12 31.902 2.199 1.069 0.907 0.909 0.909 CB 1.653 12 residues pruned to eliminate duplicates Z: 6 12.826 1.942 0.577 0.879 1.000 0.800 CA 1.358 6 residues pruned to eliminate duplicates Z: 12 13.778 1.734 0.683 0.807 1.000 0.818 CB 1.089 10 residues pruned to eliminate duplicates Z: 16 17.555 2.099 0.370 0.565 0.933 0.600 CA 1.585 16 residues pruned to eliminate duplicates Z: 28 20.755 2.057 0.765 0.492 0.852 0.667 CB 1.301 28 residues pruned to eliminate duplicates Z: 74 50.501 2.221 0.743 0.594 0.932 0.603 CB 1.499 74 residues pruned to eliminate duplicates Z: 16 14.928 2.028 0.288 0.817 0.933 0.867 CB 1.200 16 residues pruned to eliminate duplicates Z: 14 12.045 1.858 0.148 0.934 1.000 0.923 CB 1.093 14 residues pruned to eliminate duplicates Z: 7 18.975 2.100 1.535 0.532 0.833 0.667 CB 1.692 7 residues pruned to eliminate duplicates Z: 19 12.894 1.981 0.835 0.547 0.833 0.778 CB 0.958 19 residues pruned to eliminate duplicates Z: 18 30.006 1.981 0.710 0.923 1.000 0.882 CB 1.510 18 residues pruned to eliminate duplicates Z: 13 12.974 2.012 0.670 0.873 0.917 0.750 CB 0.886 13 residues pruned to eliminate duplicates Z: 18 28.476 2.104 0.772 0.831 0.882 0.588 CA 1.578 18 residues pruned to eliminate duplicates Z: 19 30.237 1.982 0.666 0.930 1.000 0.889 CA 1.510 19 residues pruned to eliminate duplicates Z: 46 37.027 2.159 0.650 0.722 0.933 0.667 CB 1.360 46 residues pruned to eliminate duplicates Z: 13 21.230 2.347 0.737 0.554 0.833 0.583 CB 1.712 13 residues pruned to eliminate duplicates Z: 7 2.964 1.582 -0.047 0.453 0.667 0.333 CB 1.264 Z: 46 38.515 2.155 0.621 0.737 0.933 0.733 CB 1.424 46 residues pruned to eliminate duplicates Z: 8 5.852 1.744 0.219 0.483 0.857 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 36 34.732 2.144 0.728 0.852 0.914 0.743 CB 1.281 36 residues pruned to eliminate duplicates Z: 35 35.530 2.167 0.667 0.863 0.941 0.618 CB 1.315 35 residues pruned to eliminate duplicates Z: 16 5.083 1.656 0.322 0.321 0.800 0.533 CB 0.913 6 residues pruned to eliminate duplicates Z: 13 43.237 2.479 1.067 0.926 1.000 1.000 CB 1.707 13 residues pruned to eliminate duplicates Z: 10 14.581 2.015 0.430 0.815 1.000 0.889 CA 1.283 10 residues pruned to eliminate duplicates Z: 21 20.107 2.331 0.543 0.413 0.850 0.350 CB 1.610 21 residues pruned to eliminate duplicates Z: 21 42.193 2.347 0.767 0.879 0.950 0.550 CB 1.736 21 residues pruned to eliminate duplicates Z: 38 32.509 2.124 0.996 0.530 0.919 0.622 CB 1.332 38 residues pruned to eliminate duplicates Z: 6 2.943 1.562 -0.010 0.360 0.800 0.800 C 1.237 6 residues pruned to eliminate duplicates Z: 35 39.542 2.196 0.824 0.860 0.882 0.706 CB 1.412 35 residues pruned to eliminate duplicates Z: 17 20.605 1.867 0.542 0.890 1.000 0.812 CB 1.287 17 residues pruned to eliminate duplicates Z: 17 31.459 2.333 0.569 0.789 1.000 0.812 CB 1.667 17 residues pruned to eliminate duplicates Z: 17 27.867 2.033 0.605 0.914 1.000 0.938 CB 1.510 17 residues pruned to eliminate duplicates Z: 13 14.920 1.970 0.442 0.934 0.917 0.917 CB 1.153 13 residues pruned to eliminate duplicates Z: 49 38.626 2.237 0.768 0.517 0.917 0.562 CB 1.513 49 residues pruned to eliminate duplicates Z: 33 43.955 2.261 0.935 0.610 0.938 0.688 CB 1.707 33 residues pruned to eliminate duplicates Z: 6 4.463 1.226 0.787 0.635 1.000 0.600 CB 0.803 Z: 12 16.040 2.209 0.464 0.702 0.909 0.818 CB 1.368 12 residues pruned to eliminate duplicates Z: 10 4.452 1.829 0.224 0.206 0.778 0.333 CB 1.207 10 residues pruned to eliminate duplicates Z: 19 27.672 2.312 0.539 0.587 1.000 0.667 CB 1.686 19 residues pruned to eliminate duplicates Z: 15 18.395 2.011 0.663 0.741 0.929 0.500 CB 1.276 15 residues pruned to eliminate duplicates Z: 11 12.244 1.823 0.391 0.786 0.900 0.700 CA 1.320 11 residues pruned to eliminate duplicates Z: 30 22.667 1.912 0.812 0.637 0.931 0.379 CB 1.148 30 residues pruned to eliminate duplicates Z: 17 43.955 2.457 1.257 0.622 0.938 0.750 CB 1.884 17 residues pruned to eliminate duplicates Z: 99 57.085 2.177 0.843 0.572 0.918 0.571 CB 1.459 99 residues pruned to eliminate duplicates Z: 13 18.094 2.061 0.772 0.582 0.917 0.500 CB 1.442 14 residues pruned to eliminate duplicates Z: 39 34.192 2.095 0.810 0.616 0.921 0.684 CB 1.422 39 residues pruned to eliminate duplicates Z: 6 4.270 1.947 0.352 0.573 0.600 0.400 CA 1.127 6 residues pruned to eliminate duplicates Z: 12 13.325 2.070 0.721 0.900 0.909 0.636 CB 0.886 12 residues pruned to eliminate duplicates Z: 19 26.635 2.270 0.809 0.656 0.889 0.444 CB 1.487 19 residues pruned to eliminate duplicates Z: 23 24.605 2.011 0.742 0.652 0.955 0.545 CB 1.362 23 residues pruned to eliminate duplicates Z: 6 16.978 2.311 0.633 0.711 1.000 0.400 CA 1.660 6 residues pruned to eliminate duplicates Z: 24 36.098 2.376 0.913 0.490 0.913 0.565 CA 1.833 23 residues pruned to eliminate duplicates Z: 18 29.381 1.993 0.910 0.838 0.941 0.529 CA 1.487 18 residues pruned to eliminate duplicates Z: 91 58.031 2.152 0.882 0.586 0.956 0.600 CB 1.456 91 residues pruned to eliminate duplicates Z: 42 32.286 2.261 0.733 0.460 0.829 0.634 CB 1.617 42 residues pruned to eliminate duplicates Z: 16 38.454 2.287 0.850 0.871 1.000 0.733 CA 1.712 16 residues pruned to eliminate duplicates 7 1.724 1.571 -0.129 0.548 1.000 0.667 CB 0.491 ? Z: 29 13.805 1.678 0.607 0.494 0.893 0.679 CB 1.090 29 residues pruned to eliminate duplicates Z: 7 3.342 1.630 0.341 0.408 0.667 0.500 N 1.031 Z: 20 31.470 2.201 0.808 0.745 0.947 0.684 CB 1.538 20 residues pruned to eliminate duplicates Z: 20 21.814 1.914 0.857 0.547 1.000 0.684 CB 1.345 19 residues pruned to eliminate duplicates Z: 13 25.035 2.205 0.477 0.881 1.000 0.750 CA 1.607 13 residues pruned to eliminate duplicates Z: 24 27.371 2.281 0.749 0.521 0.870 0.609 CB 1.610 24 residues pruned to eliminate duplicates Z: 51 45.159 2.219 0.861 0.611 0.920 0.740 CB 1.513 51 residues pruned to eliminate duplicates Z: 8 16.016 2.185 0.906 0.554 1.000 0.429 CA 1.379 8 residues pruned to eliminate duplicates Z: 6 4.558 1.633 0.665 0.457 0.600 0.600 CB 1.306 Z: 20 11.868 1.903 0.864 0.266 0.789 0.579 CB 1.270 20 residues pruned to eliminate duplicates Z: 14 13.693 1.898 0.299 0.922 0.923 0.615 CB 1.174 14 residues pruned to eliminate duplicates Z: 6 2.146 1.881 -0.166 0.315 0.800 0.400 CB 0.938 Z: 16 33.504 2.201 0.916 0.841 1.000 0.667 CB 1.530 16 residues pruned to eliminate duplicates Z: 36 37.924 2.290 0.597 0.607 0.943 0.629 CB 1.680 36 residues pruned to eliminate duplicates Z: 113 55.275 2.126 0.892 0.552 0.875 0.607 CB 1.411 113 residues pruned to eliminate duplicates Z: 9 5.413 1.781 0.291 0.437 0.750 0.375 CB 1.184 9 residues pruned to eliminate duplicates Z: 23 29.314 2.321 0.546 0.685 0.909 0.727 CB 1.616 23 residues pruned to eliminate duplicates Z: 14 20.342 2.184 1.090 0.599 0.769 0.692 CB 1.462 14 residues pruned to eliminate duplicates Z: 11 5.203 1.761 0.046 0.568 0.900 0.700 CB 0.930 9 residues pruned to eliminate duplicates Z: 17 33.724 2.037 1.013 0.926 1.000 0.688 CB 1.442 17 residues pruned to eliminate duplicates Z: 12 15.539 2.214 0.763 0.425 0.909 0.455 CB 1.427 12 residues pruned to eliminate duplicates Z: 29 27.218 2.136 0.529 0.563 0.964 0.679 CB 1.536 29 residues pruned to eliminate duplicates Z: 21 30.697 2.322 0.822 0.665 0.850 0.700 CB 1.639 21 residues pruned to eliminate duplicates Z: 14 18.110 2.041 0.380 0.891 0.923 0.846 CA 1.388 14 residues pruned to eliminate duplicates Z: 12 6.913 1.900 -0.013 0.551 0.818 0.455 CB 1.292 16 residues pruned to eliminate duplicates Z: 13 11.121 1.718 0.756 0.544 0.833 0.583 CB 1.224 13 residues pruned to eliminate duplicates Z: 29 23.789 2.083 0.529 0.619 0.929 0.679 CB 1.358 29 residues pruned to eliminate duplicates Z: 37 32.012 2.102 0.467 0.853 0.944 0.750 CB 1.354 37 residues pruned to eliminate duplicates 10 1.926 1.275 0.294 0.266 0.778 0.444 CB 0.653 ? Z: 16 21.094 2.106 0.666 0.851 0.733 0.533 CB 1.566 16 residues pruned to eliminate duplicates Z: 16 40.835 2.337 1.169 0.835 0.933 0.533 CA 1.669 16 residues pruned to eliminate duplicates Z: 17 35.808 2.032 1.081 0.928 1.000 0.500 CB 1.482 17 residues pruned to eliminate duplicates Z: 16 23.339 1.985 0.534 0.898 1.000 0.600 CB 1.416 16 residues pruned to eliminate duplicates Z: 10 24.301 2.247 0.651 0.867 0.889 0.667 CA 1.796 10 residues pruned to eliminate duplicates Z: 6 3.756 1.895 0.087 0.567 1.000 0.800 CB 0.764 6 residues pruned to eliminate duplicates Z: 25 29.345 2.304 0.720 0.480 0.875 0.583 CB 1.762 25 residues pruned to eliminate duplicates Z: 14 11.265 1.797 0.139 0.928 1.000 0.846 CB 1.069 13 residues pruned to eliminate duplicates Z: 15 26.257 2.124 0.551 0.929 1.000 0.857 CB 1.491 15 residues pruned to eliminate duplicates Z: 14 22.932 2.035 0.809 0.813 0.923 0.538 CB 1.426 14 residues pruned to eliminate duplicates Z: 21 30.395 2.238 0.549 0.892 0.950 0.750 CB 1.483 21 residues pruned to eliminate duplicates Z: 10 6.781 1.913 0.613 0.157 0.778 0.333 CB 1.434 10 residues pruned to eliminate duplicates Z: 19 22.314 1.968 0.735 0.585 1.000 0.778 CB 1.419 19 residues pruned to eliminate duplicates Z: 6 4.338 1.681 -0.025 0.550 1.000 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 8 5.620 2.039 0.187 0.411 0.857 0.429 CB 1.124 8 residues pruned to eliminate duplicates Z: 35 32.980 2.277 0.709 0.554 0.941 0.676 CB 1.465 35 residues pruned to eliminate duplicates Z: 17 26.664 1.968 0.592 0.939 1.000 0.875 CB 1.479 17 residues pruned to eliminate duplicates Z: 8 9.228 2.027 0.842 0.487 0.857 0.286 CA 1.105 8 residues pruned to eliminate duplicates Z: 16 48.595 2.337 1.168 0.890 1.000 0.800 CB 1.781 16 residues pruned to eliminate duplicates Z: 6 6.091 1.632 0.540 0.448 1.000 0.800 CA 1.143 5 residues pruned to eliminate duplicates Z: 53 33.566 2.122 0.541 0.652 0.904 0.635 CB 1.367 53 residues pruned to eliminate duplicates Z: 15 14.254 1.802 0.399 0.909 1.000 0.714 CB 1.072 14 residues pruned to eliminate duplicates Z: 73 40.647 2.052 1.005 0.508 0.861 0.569 CB 1.341 73 residues pruned to eliminate duplicates Z: 9 5.332 1.581 -0.110 0.624 1.000 0.625 CB 1.192 6 residues pruned to eliminate duplicates Z: 13 17.163 2.067 0.720 0.484 0.917 0.750 CB 1.545 13 residues pruned to eliminate duplicates Z: 15 8.845 2.033 0.428 0.304 0.857 0.357 CB 1.182 15 residues pruned to eliminate duplicates Z: 91 57.144 2.180 0.904 0.554 0.933 0.611 CB 1.475 91 residues pruned to eliminate duplicates Z: 15 14.491 1.825 0.405 0.941 1.000 0.643 CB 1.048 15 residues pruned to eliminate duplicates Z: 14 24.551 2.041 0.843 0.854 1.000 0.615 CB 1.337 14 residues pruned to eliminate duplicates Z: 71 49.871 2.210 0.787 0.600 0.929 0.629 CB 1.478 71 residues pruned to eliminate duplicates Z: 27 25.148 2.234 0.933 0.482 0.885 0.500 CB 1.314 27 residues pruned to eliminate duplicates Z: 6 5.617 1.834 0.202 0.456 0.800 0.400 CB 1.491 2 residues pruned to eliminate duplicates Z: 20 25.690 2.330 0.710 0.418 0.947 0.579 CB 1.701 20 residues pruned to eliminate duplicates Z: 12 12.438 1.745 1.045 0.640 0.818 0.727 CB 1.127 12 residues pruned to eliminate duplicates Z: 9 14.309 1.958 0.587 0.682 1.000 0.750 CB 1.377 9 residues pruned to eliminate duplicates Z: 17 20.292 1.941 0.268 0.908 1.000 0.812 CB 1.464 17 residues pruned to eliminate duplicates Z: 15 25.761 2.087 0.445 0.920 1.000 0.929 CB 1.608 15 residues pruned to eliminate duplicates Z: 7 4.168 1.755 -0.235 0.558 1.000 0.667 CB 1.198 7 residues pruned to eliminate duplicates Z: 34 38.267 2.105 0.842 0.638 0.939 0.667 CB 1.607 34 residues pruned to eliminate duplicates Z: 16 24.773 2.422 0.781 0.457 0.867 0.667 CA 1.788 16 residues pruned to eliminate duplicates Z: 13 18.357 1.951 1.000 0.905 0.917 0.833 CB 1.055 13 residues pruned to eliminate duplicates Z: 27 17.516 1.973 0.613 0.518 0.885 0.692 CB 1.198 27 residues pruned to eliminate duplicates Z: 31 35.910 2.156 0.936 0.644 0.900 0.667 CB 1.525 31 residues pruned to eliminate duplicates Z: 6 10.448 1.962 1.083 0.480 0.800 0.600 N 1.459 6 residues pruned to eliminate duplicates Z: 18 17.477 2.230 0.213 0.818 0.824 0.765 CB 1.443 18 residues pruned to eliminate duplicates Z: 6 2.558 1.443 0.278 0.415 0.800 0.400 N 0.847 Z: 57 49.304 2.293 0.843 0.570 0.946 0.589 CB 1.539 57 residues pruned to eliminate duplicates Z: 90 48.346 2.136 0.752 0.573 0.910 0.629 CB 1.403 90 residues pruned to eliminate duplicates Z: 49 45.184 2.272 0.895 0.529 0.917 0.542 CB 1.605 49 residues pruned to eliminate duplicates Z: 6 5.910 1.517 0.368 0.665 1.000 1.000 CA 1.093 6 residues pruned to eliminate duplicates Z: 12 12.729 1.850 0.694 0.581 0.909 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 20 25.978 2.345 0.525 0.681 0.895 0.737 CB 1.577 20 residues pruned to eliminate duplicates Z: 13 27.251 2.210 0.599 0.843 1.000 0.750 CB 1.657 13 residues pruned to eliminate duplicates Z: 33 23.539 2.127 0.470 0.521 0.938 0.688 CB 1.391 33 residues pruned to eliminate duplicates Z: 29 50.373 2.382 1.038 0.627 0.964 0.786 CB 1.805 31 residues pruned to eliminate duplicates Z: 7 4.579 1.575 0.248 0.437 0.833 0.500 CB 1.218 Z: 14 19.702 1.930 0.717 0.774 0.923 0.538 CA 1.402 14 residues pruned to eliminate duplicates Z: 10 13.459 1.900 0.346 0.906 0.889 0.778 CB 1.403 10 residues pruned to eliminate duplicates Z: 19 14.055 2.086 0.538 0.493 0.889 0.556 CB 1.170 19 residues pruned to eliminate duplicates Z: 90 52.921 2.146 0.840 0.564 0.933 0.607 CB 1.431 90 residues pruned to eliminate duplicates Z: 92 54.404 2.207 0.837 0.561 0.901 0.626 CB 1.471 92 residues pruned to eliminate duplicates Z: 48 43.100 2.184 0.923 0.586 0.936 0.596 CB 1.473 48 residues pruned to eliminate duplicates Z: 42 34.677 2.110 0.823 0.558 0.951 0.683 CB 1.399 42 residues pruned to eliminate duplicates Z: 10 10.345 1.858 0.325 0.787 0.889 0.444 CB 1.224 10 residues pruned to eliminate duplicates Z: 13 21.464 1.979 0.577 0.849 1.000 0.750 CB 1.472 13 residues pruned to eliminate duplicates Z: 9 4.190 1.390 0.507 0.445 0.750 0.375 CB 0.998 Z: 18 17.866 2.359 0.459 0.480 0.765 0.588 CB 1.679 18 residues pruned to eliminate duplicates Z: 6 2.699 1.390 0.889 0.296 0.800 0.600 CB 0.721 Z: 70 43.785 2.209 0.628 0.568 0.913 0.609 CB 1.503 70 residues pruned to eliminate duplicates Z: 12 15.196 2.124 0.709 0.512 0.909 0.818 CB 1.372 12 residues pruned to eliminate duplicates Z: 12 20.489 2.212 0.633 0.667 0.909 0.909 CB 1.613 12 residues pruned to eliminate duplicates Z: 21 16.083 2.074 0.157 0.773 0.900 0.700 CB 1.308 21 residues pruned to eliminate duplicates Z: 9 3.924 1.645 0.250 0.357 0.875 0.500 CB 0.899 Z: 16 12.079 1.787 0.734 0.436 0.800 0.667 CB 1.344 16 residues pruned to eliminate duplicates Z: 14 13.411 2.129 0.521 0.375 0.846 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 74 45.128 2.229 0.645 0.550 0.918 0.630 CB 1.495 74 residues pruned to eliminate duplicates Z: 6 3.506 1.854 -0.163 0.426 1.000 0.800 CB 1.091 Z: 62 61.539 2.386 0.805 0.591 0.934 0.721 CB 1.794 63 residues pruned to eliminate duplicates Z: 14 20.786 1.877 0.869 0.786 1.000 0.769 CB 1.278 14 residues pruned to eliminate duplicates Z: 16 28.481 2.045 0.671 0.943 1.000 0.800 CB 1.491 16 residues pruned to eliminate duplicates Z: 58 46.443 2.176 0.979 0.554 0.947 0.474 CB 1.430 58 residues pruned to eliminate duplicates Z: 114 68.003 2.270 0.763 0.624 0.920 0.664 CB 1.544 114 residues pruned to eliminate duplicates Z: 15 21.428 2.020 0.665 0.883 0.929 0.643 CB 1.326 15 residues pruned to eliminate duplicates Z: 8 6.152 1.892 0.259 0.549 0.714 0.286 CB 1.303 8 residues pruned to eliminate duplicates Z: 14 11.272 1.803 0.086 0.915 1.000 1.000 CB 1.128 14 residues pruned to eliminate duplicates Z: 18 16.242 1.895 0.776 0.439 0.941 0.588 CB 1.324 16 residues pruned to eliminate duplicates Z: 15 15.269 1.814 0.457 0.929 1.000 0.714 CB 1.081 15 residues pruned to eliminate duplicates Z: 23 26.747 2.222 0.717 0.489 0.909 0.545 CA 1.663 23 residues pruned to eliminate duplicates Z: 38 21.403 2.105 0.542 0.425 0.838 0.514 CB 1.398 38 residues pruned to eliminate duplicates Z: 9 3.544 1.916 -0.265 0.567 0.875 0.625 CB 0.953 4 residues pruned to eliminate duplicates Z: 12 26.119 2.163 0.789 0.878 0.909 0.636 CB 1.625 12 residues pruned to eliminate duplicates Z: 25 26.288 2.202 0.890 0.555 0.917 0.375 CB 1.333 25 residues pruned to eliminate duplicates Z: 9 4.471 1.555 0.145 0.454 0.750 0.625 CB 1.241 11 residues pruned to eliminate duplicates Z: 19 26.269 2.081 0.783 0.556 1.000 0.778 CB 1.580 19 residues pruned to eliminate duplicates Z: 19 22.388 2.290 0.759 0.349 0.889 0.500 CA 1.737 19 residues pruned to eliminate duplicates Z: 53 35.621 2.148 0.751 0.506 0.923 0.596 CB 1.414 53 residues pruned to eliminate duplicates Z: 35 25.621 2.160 0.653 0.534 0.853 0.559 CB 1.395 35 residues pruned to eliminate duplicates Z: 16 18.317 2.016 0.831 0.338 1.000 0.667 CB 1.529 15 residues pruned to eliminate duplicates Z: 53 40.729 2.245 0.734 0.529 0.865 0.654 CB 1.629 53 residues pruned to eliminate duplicates Z: 33 25.975 2.223 0.353 0.536 0.906 0.656 CB 1.626 33 residues pruned to eliminate duplicates Z: 18 23.838 1.872 0.565 0.935 1.000 0.941 CB 1.375 18 residues pruned to eliminate duplicates Z: 90 50.010 2.162 0.820 0.553 0.910 0.562 CB 1.406 90 residues pruned to eliminate duplicates Z: 8 5.875 1.695 -0.101 0.651 0.857 0.571 CB 1.477 12 residues pruned to eliminate duplicates Z: 13 23.412 2.048 1.056 0.585 1.000 0.667 CA 1.479 13 residues pruned to eliminate duplicates Z: 7 4.577 1.407 0.416 0.409 1.000 0.500 O 1.033 Z: 60 43.010 2.184 0.766 0.611 0.932 0.627 CB 1.401 60 residues pruned to eliminate duplicates Z: 15 9.303 1.850 0.373 0.578 0.929 0.643 CB 0.977 15 residues pruned to eliminate duplicates Z: 15 16.396 2.005 1.032 0.554 0.786 0.714 CB 1.299 15 residues pruned to eliminate duplicates Z: 14 21.437 2.186 0.765 0.482 0.923 0.769 CB 1.699 16 residues pruned to eliminate duplicates Z: 6 2.702 1.173 0.425 0.731 0.800 0.600 O 0.734 Z: 7 12.744 2.193 0.407 0.598 1.000 0.500 CA 1.535 7 residues pruned to eliminate duplicates Z: 17 29.229 2.091 1.021 0.643 1.000 0.625 CB 1.512 17 residues pruned to eliminate duplicates Z: 16 13.194 1.784 0.269 0.912 1.000 0.867 CB 1.065 16 residues pruned to eliminate duplicates Z: 19 25.112 2.077 0.813 0.498 1.000 0.667 CB 1.575 19 residues pruned to eliminate duplicates Z: 17 30.503 2.070 0.911 0.791 1.000 0.375 CA 1.494 17 residues pruned to eliminate duplicates Z: 17 23.531 1.842 0.764 0.841 1.000 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 60 51.346 2.148 1.022 0.613 0.898 0.593 CB 1.540 60 residues pruned to eliminate duplicates Z: 16 20.825 2.047 0.585 0.898 0.933 0.867 CB 1.270 16 residues pruned to eliminate duplicates Z: 20 20.790 1.893 0.876 0.544 0.947 0.737 CB 1.358 20 residues pruned to eliminate duplicates Z: 10 5.592 1.489 0.390 0.340 0.889 0.333 CA 1.206 Z: 52 46.348 2.255 0.953 0.566 0.882 0.510 CB 1.567 52 residues pruned to eliminate duplicates Z: 19 29.481 1.980 0.750 0.937 1.000 0.944 CB 1.395 19 residues pruned to eliminate duplicates Z: 20 11.661 2.030 0.674 0.363 0.684 0.474 CB 1.334 19 residues pruned to eliminate duplicates Z: 52 39.783 2.138 0.785 0.538 0.902 0.451 CB 1.558 52 residues pruned to eliminate duplicates Z: 41 38.423 2.145 0.679 0.723 0.950 0.675 CB 1.451 41 residues pruned to eliminate duplicates Z: 20 28.616 2.145 0.774 0.848 0.947 0.737 CB 1.350 20 residues pruned to eliminate duplicates Z: 26 28.963 2.351 0.744 0.389 0.920 0.440 CB 1.727 26 residues pruned to eliminate duplicates Z: 25 39.833 2.347 1.044 0.639 0.917 0.583 CB 1.624 25 residues pruned to eliminate duplicates Z: 15 9.701 1.925 0.504 0.357 0.786 0.643 CB 1.330 15 residues pruned to eliminate duplicates Z: 7 4.810 1.626 0.258 0.343 1.000 0.333 C 1.138 Z: 32 33.834 2.171 0.965 0.522 0.903 0.613 CB 1.543 32 residues pruned to eliminate duplicates Z: 15 13.871 2.280 0.502 0.464 0.786 0.429 CB 1.429 15 residues pruned to eliminate duplicates Z: 27 21.441 2.116 0.681 0.485 0.846 0.615 CB 1.418 27 residues pruned to eliminate duplicates Z: 14 9.684 1.788 -0.036 0.927 1.000 1.000 CB 1.092 14 residues pruned to eliminate duplicates Z: 17 16.758 2.121 0.679 0.487 0.938 0.750 CB 1.271 17 residues pruned to eliminate duplicates Z: 13 22.322 2.260 0.832 0.406 1.000 0.667 CB 1.717 14 residues pruned to eliminate duplicates Z: 47 47.864 2.346 0.641 0.709 0.913 0.674 CB 1.660 47 residues pruned to eliminate duplicates Z: 11 5.762 1.804 0.497 0.223 0.600 0.500 N 1.557 11 residues pruned to eliminate duplicates Z: 29 37.999 2.346 0.955 0.542 0.929 0.679 CB 1.617 29 residues pruned to eliminate duplicates Z: 33 33.015 2.337 1.031 0.428 0.812 0.469 CB 1.632 33 residues pruned to eliminate duplicates Z: 22 21.938 1.939 0.792 0.479 0.952 0.667 CB 1.478 22 residues pruned to eliminate duplicates Z: 83 53.195 2.283 0.650 0.576 0.915 0.671 CB 1.585 83 residues pruned to eliminate duplicates Z: 99 63.312 2.303 0.891 0.597 0.908 0.663 CB 1.473 99 residues pruned to eliminate duplicates Z: 39 27.843 2.051 0.760 0.592 0.895 0.658 CB 1.281 39 residues pruned to eliminate duplicates Z: 64 40.910 2.290 0.724 0.510 0.810 0.508 CB 1.596 64 residues pruned to eliminate duplicates Z: 13 10.914 2.005 0.134 0.888 0.917 0.833 CB 1.089 13 residues pruned to eliminate duplicates Z: 12 7.795 1.877 0.548 0.384 0.909 0.545 CB 1.007 12 residues pruned to eliminate duplicates Z: 16 9.653 1.758 -0.098 0.937 1.000 1.000 CB 1.094 16 residues pruned to eliminate duplicates Z: 50 37.894 2.264 0.604 0.549 0.898 0.633 CB 1.582 50 residues pruned to eliminate duplicates Z: 13 13.826 1.846 1.052 0.507 0.750 0.667 CB 1.395 13 residues pruned to eliminate duplicates Z: 45 41.856 2.197 0.876 0.675 0.886 0.523 CB 1.470 45 residues pruned to eliminate duplicates Z: 6 3.103 1.480 0.372 0.759 0.800 0.600 CB 0.678 6 residues pruned to eliminate duplicates Z: 20 15.960 2.005 0.421 0.388 0.947 0.526 CB 1.528 20 residues pruned to eliminate duplicates Z: 15 16.774 1.863 0.483 0.939 1.000 0.857 CB 1.128 16 residues pruned to eliminate duplicates Z: 8 5.257 1.751 -0.081 0.488 1.000 0.571 CB 1.250 8 residues pruned to eliminate duplicates Z: 21 23.400 2.160 0.385 0.832 0.950 0.750 CB 1.382 21 residues pruned to eliminate duplicates Z: 15 11.683 1.816 0.094 0.925 1.000 1.000 CB 1.103 15 residues pruned to eliminate duplicates Z: 56 46.002 2.273 0.890 0.531 0.909 0.655 CB 1.540 56 residues pruned to eliminate duplicates Z: 29 29.685 2.177 0.574 0.601 0.929 0.679 CB 1.601 29 residues pruned to eliminate duplicates Z: 16 26.519 2.215 0.736 0.826 0.867 0.733 CB 1.550 16 residues pruned to eliminate duplicates Z: 30 19.975 2.019 0.619 0.431 0.828 0.517 CB 1.473 30 residues pruned to eliminate duplicates Z: 35 28.499 2.271 0.684 0.468 0.882 0.588 CB 1.497 35 residues pruned to eliminate duplicates Z: 16 14.004 2.264 0.548 0.277 0.800 0.467 CB 1.660 16 residues pruned to eliminate duplicates Z: 49 43.093 2.314 0.635 0.612 0.958 0.667 CB 1.543 49 residues pruned to eliminate duplicates Z: 20 22.530 2.114 0.795 0.656 0.947 0.684 CB 1.244 20 residues pruned to eliminate duplicates Z: 14 17.163 1.978 0.606 0.810 0.846 0.385 CB 1.351 14 residues pruned to eliminate duplicates Z: 14 9.077 1.803 0.290 0.465 0.769 0.538 CB 1.458 20 residues pruned to eliminate duplicates Z: 6 3.574 1.417 -0.077 0.766 0.800 0.600 N 1.207 6 residues pruned to eliminate duplicates Z: 27 24.337 1.890 0.476 0.739 0.962 0.577 CB 1.436 27 residues pruned to eliminate duplicates Z: 26 44.890 2.474 0.755 0.666 0.960 0.640 CB 1.846 26 residues pruned to eliminate duplicates Z: 7 11.143 1.833 0.569 0.877 1.000 0.833 CA 1.149 7 residues pruned to eliminate duplicates Z: 26 20.481 2.178 1.024 0.449 0.800 0.480 CB 1.224 26 residues pruned to eliminate duplicates Z: 33 20.517 2.072 0.641 0.395 0.812 0.500 CB 1.467 33 residues pruned to eliminate duplicates Z: 20 20.319 2.042 0.807 0.456 0.895 0.579 CB 1.476 20 residues pruned to eliminate duplicates Z: 15 33.709 2.214 0.953 0.913 0.929 0.857 CA 1.588 15 residues pruned to eliminate duplicates Z: 37 33.791 2.118 0.853 0.572 0.917 0.583 CB 1.461 37 residues pruned to eliminate duplicates Z: 20 19.229 1.906 0.846 0.524 0.947 0.579 CB 1.293 20 residues pruned to eliminate duplicates Z: 15 13.407 1.801 0.305 0.930 1.000 0.929 CB 1.066 15 residues pruned to eliminate duplicates Z: 26 40.933 2.455 0.663 0.675 0.920 0.640 CB 1.856 26 residues pruned to eliminate duplicates Z: 8 12.800 1.727 0.745 0.698 1.000 0.857 CB 1.341 7 residues pruned to eliminate duplicates Z: 57 36.582 2.110 0.749 0.494 1.000 0.536 CB 1.333 57 residues pruned to eliminate duplicates Z: 17 33.672 2.035 1.016 0.926 1.000 0.625 CB 1.439 17 residues pruned to eliminate duplicates Z: 6 5.149 1.440 0.721 0.623 0.800 0.600 CA 1.034 6 residues pruned to eliminate duplicates Z: 7 2.621 1.568 -0.132 0.637 0.833 0.500 CB 0.829 Z: 39 19.566 1.906 0.695 0.459 0.842 0.526 CB 1.217 39 residues pruned to eliminate duplicates Z: 17 26.435 2.102 0.612 0.810 1.000 0.750 CB 1.489 17 residues pruned to eliminate duplicates Z: 45 40.118 2.212 0.824 0.602 0.932 0.591 CB 1.460 45 residues pruned to eliminate duplicates Z: 40 36.237 2.127 0.848 0.621 0.949 0.615 CB 1.388 40 residues pruned to eliminate duplicates Z: 25 14.788 1.699 0.622 0.541 0.958 0.708 CB 1.099 25 residues pruned to eliminate duplicates Z: 63 42.468 2.233 0.680 0.537 0.919 0.645 CB 1.508 63 residues pruned to eliminate duplicates Z: 34 21.924 1.998 0.619 0.582 0.909 0.697 CB 1.200 34 residues pruned to eliminate duplicates Z: 8 5.990 1.727 1.025 0.544 0.857 0.714 N 0.724 Z: 6 3.699 1.637 0.366 0.195 1.000 0.400 CB 1.064 6 residues pruned to eliminate duplicates Z: 11 12.952 1.925 1.075 0.621 0.800 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 19 16.028 2.037 0.676 0.378 0.889 0.611 CB 1.418 18 residues pruned to eliminate duplicates Z: 16 14.770 2.129 0.666 0.321 0.800 0.467 CB 1.638 16 residues pruned to eliminate duplicates Z: 6 3.746 1.408 0.906 0.292 0.800 0.400 CA 0.985 Z: 27 25.264 2.181 0.738 0.505 0.885 0.577 CB 1.471 27 residues pruned to eliminate duplicates Z: 27 25.261 2.060 0.800 0.525 0.923 0.692 CB 1.413 27 residues pruned to eliminate duplicates Z: 6 2.256 1.471 0.224 0.296 1.000 0.400 CA 0.704 Z: 19 23.673 1.997 0.824 0.574 1.000 0.778 CB 1.426 20 residues pruned to eliminate duplicates Z: 78 44.869 2.185 0.772 0.564 0.844 0.584 CB 1.469 78 residues pruned to eliminate duplicates Z: 15 14.806 1.769 0.519 0.905 1.000 0.571 CB 1.048 15 residues pruned to eliminate duplicates Z: 63 38.846 2.134 0.835 0.550 0.903 0.516 CB 1.328 63 residues pruned to eliminate duplicates Z: 72 53.651 2.306 0.733 0.599 0.915 0.563 CB 1.584 72 residues pruned to eliminate duplicates Z: 21 21.011 2.059 0.772 0.465 0.800 0.300 CB 1.669 21 residues pruned to eliminate duplicates Z: 14 14.474 1.860 0.832 0.523 0.923 0.615 CB 1.249 14 residues pruned to eliminate duplicates Z: 6 5.437 1.749 0.774 0.251 0.800 0.400 CB 1.304 Using tripeptides from previous cycle as seeds Z: 19 22.315 1.843 0.426 0.904 1.000 0.889 CB 1.425 19 residues pruned to eliminate duplicates Z: 16 27.769 2.027 0.508 0.936 1.000 0.867 CB 1.634 16 residues pruned to eliminate duplicates Z: 17 25.935 2.010 0.581 0.932 0.938 0.812 CB 1.520 17 residues pruned to eliminate duplicates Z: 16 29.022 2.027 0.604 0.937 1.000 0.933 CB 1.604 16 residues pruned to eliminate duplicates Z: 17 24.199 2.005 0.558 0.889 0.938 0.688 CB 1.488 17 residues pruned to eliminate duplicates Z: 16 25.100 2.014 0.450 0.906 1.000 0.800 CB 1.578 16 residues pruned to eliminate duplicates Z: 16 29.613 1.994 0.723 0.936 1.000 0.933 CB 1.550 16 residues pruned to eliminate duplicates Z: 16 25.246 1.998 0.659 0.868 0.933 0.733 CB 1.540 16 residues pruned to eliminate duplicates Z: 16 28.129 1.984 0.830 0.875 0.933 0.467 CB 1.559 16 residues pruned to eliminate duplicates Z: 17 28.779 1.981 0.801 0.926 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 16 32.367 2.020 0.799 0.946 1.000 0.800 CB 1.591 16 residues pruned to eliminate duplicates Z: 17 25.764 1.970 0.651 0.907 0.938 0.750 CB 1.501 17 residues pruned to eliminate duplicates Z: 17 29.496 2.003 0.784 0.886 1.000 0.812 CB 1.489 17 residues pruned to eliminate duplicates Z: 17 31.705 2.000 0.858 0.935 1.000 0.688 CB 1.486 17 residues pruned to eliminate duplicates Z: 17 32.675 1.968 0.832 0.941 1.000 0.688 CB 1.573 17 residues pruned to eliminate duplicates Z: 25 22.435 2.003 0.678 0.456 0.917 0.667 CB 1.554 26 residues pruned to eliminate duplicates Z: 10 14.057 2.042 0.460 0.765 0.889 0.667 CA 1.398 10 residues pruned to eliminate duplicates Z: 12 11.884 1.757 0.289 0.773 1.000 0.727 CA 1.243 12 residues pruned to eliminate duplicates Z: 21 21.644 2.028 0.662 0.447 0.950 0.700 CA 1.595 21 residues pruned to eliminate duplicates Z: 18 21.156 2.170 0.569 0.477 0.941 0.706 CA 1.638 18 residues pruned to eliminate duplicates Z: 11 12.992 1.846 0.307 0.799 1.000 0.800 CA 1.311 11 residues pruned to eliminate duplicates Z: 20 17.896 2.062 0.536 0.467 0.895 0.632 CA 1.499 20 residues pruned to eliminate duplicates Z: 26 18.021 1.920 0.558 0.424 0.880 0.680 CB 1.481 25 residues pruned to eliminate duplicates Z: 12 21.684 2.126 0.867 0.637 1.000 0.818 CA 1.448 13 residues pruned to eliminate duplicates Z: 6 8.424 2.177 1.109 0.395 0.800 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 18 27.161 2.170 0.818 0.503 1.000 0.765 CB 1.664 18 residues pruned to eliminate duplicates Z: 21 20.898 2.043 0.823 0.386 0.900 0.600 CB 1.573 21 residues pruned to eliminate duplicates Z: 18 22.158 2.155 0.785 0.401 0.941 0.647 CA 1.647 18 residues pruned to eliminate duplicates Z: 22 20.305 2.115 0.618 0.374 0.905 0.524 CB 1.638 22 residues pruned to eliminate duplicates Z: 12 14.486 2.074 0.780 0.503 0.818 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 42 38.521 2.238 0.812 0.557 0.902 0.585 CB 1.556 42 residues pruned to eliminate duplicates Z: 21 28.186 2.382 0.801 0.441 0.900 0.450 CA 1.734 21 residues pruned to eliminate duplicates Z: 21 26.620 2.318 0.876 0.427 0.900 0.450 CA 1.642 21 residues pruned to eliminate duplicates Z: 20 30.208 2.374 0.887 0.476 0.947 0.474 CA 1.673 20 residues pruned to eliminate duplicates Z: 29 28.650 2.374 0.759 0.374 0.857 0.393 CB 1.731 29 residues pruned to eliminate duplicates Z: 21 27.074 2.410 0.716 0.448 0.850 0.400 CA 1.816 21 residues pruned to eliminate duplicates Z: 25 35.799 2.417 0.848 0.457 0.917 0.500 CB 1.866 25 residues pruned to eliminate duplicates Z: 19 32.892 2.454 0.817 0.462 0.944 0.444 CA 1.913 19 residues pruned to eliminate duplicates Z: 24 36.167 2.478 0.780 0.460 0.913 0.391 CB 1.950 25 residues pruned to eliminate duplicates Z: 8 9.199 1.989 0.490 0.502 0.857 0.429 CA 1.367 8 residues pruned to eliminate duplicates Z: 27 34.010 2.319 0.916 0.432 0.923 0.269 CB 1.745 26 residues pruned to eliminate duplicates Z: 8 3.867 1.684 0.251 0.384 0.571 0.429 N 1.374 8 residues pruned to eliminate duplicates Z: 32 31.381 2.250 0.744 0.412 0.968 0.387 CB 1.628 31 residues pruned to eliminate duplicates Z: 7 14.426 2.007 0.846 0.432 1.000 0.500 C 1.706 7 residues pruned to eliminate duplicates Z: 18 23.408 2.266 0.916 0.410 0.882 0.471 CB 1.627 18 residues pruned to eliminate duplicates Z: 44 29.521 2.232 0.814 0.386 0.860 0.512 CB 1.459 44 residues pruned to eliminate duplicates Z: 8 7.278 1.910 0.660 0.271 0.857 0.286 CB 1.313 8 residues pruned to eliminate duplicates Z: 21 28.996 2.421 0.839 0.436 0.850 0.400 CB 1.831 21 residues pruned to eliminate duplicates Z: 44 36.273 2.296 0.921 0.417 0.884 0.488 CB 1.548 44 residues pruned to eliminate duplicates Z: 34 33.832 2.297 0.915 0.414 0.909 0.424 CB 1.611 34 residues pruned to eliminate duplicates Z: 45 30.459 2.250 0.748 0.376 0.909 0.455 CB 1.466 45 residues pruned to eliminate duplicates Z: 33 36.664 2.375 0.807 0.431 0.906 0.344 CB 1.791 33 residues pruned to eliminate duplicates Z: 45 43.399 2.288 0.837 0.550 0.932 0.591 CB 1.591 45 residues pruned to eliminate duplicates Z: 66 55.070 2.223 0.995 0.604 0.908 0.585 CB 1.537 66 residues pruned to eliminate duplicates Z: 74 48.477 2.196 0.823 0.560 0.932 0.534 CB 1.435 74 residues pruned to eliminate duplicates Z: 65 55.011 2.249 0.908 0.598 0.969 0.609 CB 1.506 65 residues pruned to eliminate duplicates Z: 91 60.680 2.201 0.904 0.567 0.978 0.611 CB 1.464 91 residues pruned to eliminate duplicates Z: 75 51.650 2.208 0.873 0.570 0.932 0.608 CB 1.455 75 residues pruned to eliminate duplicates Z: 99 61.757 2.194 0.936 0.570 0.949 0.684 CB 1.446 99 residues pruned to eliminate duplicates Z: 39 37.690 2.203 0.943 0.531 0.947 0.526 CB 1.462 39 residues pruned to eliminate duplicates Z: 90 49.194 2.150 0.818 0.546 0.910 0.573 CB 1.402 90 residues pruned to eliminate duplicates Z: 65 57.537 2.231 1.024 0.612 0.969 0.578 CB 1.478 65 residues pruned to eliminate duplicates Z: 91 57.956 2.184 0.847 0.572 0.967 0.678 CB 1.461 91 residues pruned to eliminate duplicates Z: 112 58.306 2.167 0.869 0.552 0.928 0.676 CB 1.400 112 residues pruned to eliminate duplicates Z: 100 56.960 2.151 0.875 0.552 0.939 0.586 CB 1.436 100 residues pruned to eliminate duplicates Z: 80 51.616 2.145 0.868 0.564 0.924 0.608 CB 1.474 80 residues pruned to eliminate duplicates Z: 93 49.904 2.169 0.814 0.535 0.880 0.543 CB 1.452 93 residues pruned to eliminate duplicates Z: 105 59.161 2.176 0.949 0.550 0.904 0.606 CB 1.442 105 residues pruned to eliminate duplicates Z: 84 49.775 2.134 0.802 0.568 0.916 0.530 CB 1.452 84 residues pruned to eliminate duplicates Z: 36 35.539 2.286 0.743 0.629 0.857 0.543 CB 1.558 36 residues pruned to eliminate duplicates Z: 33 43.243 2.305 0.978 0.646 0.938 0.719 CB 1.561 33 residues pruned to eliminate duplicates Z: 74 51.178 2.174 0.894 0.567 0.932 0.507 CB 1.464 74 residues pruned to eliminate duplicates Z: 38 35.941 2.211 0.803 0.579 0.946 0.541 CB 1.452 38 residues pruned to eliminate duplicates Z: 92 58.265 2.180 0.903 0.563 0.956 0.560 CB 1.449 92 residues pruned to eliminate duplicates Z: 52 45.635 2.269 0.836 0.528 0.961 0.608 CB 1.552 52 residues pruned to eliminate duplicates Z: 65 54.192 2.244 0.885 0.597 0.969 0.609 CB 1.507 65 residues pruned to eliminate duplicates Z: 81 50.864 2.178 0.859 0.559 0.925 0.600 CB 1.434 81 residues pruned to eliminate duplicates Z: 71 48.588 2.195 0.851 0.573 0.957 0.643 CB 1.391 71 residues pruned to eliminate duplicates Z: 79 49.182 2.190 0.802 0.509 0.949 0.615 CB 1.474 79 residues pruned to eliminate duplicates Z: 59 39.864 2.192 0.775 0.509 0.914 0.621 CB 1.459 59 residues pruned to eliminate duplicates Z: 66 47.944 2.232 0.901 0.579 0.877 0.677 CB 1.481 66 residues pruned to eliminate duplicates Z: 93 55.858 2.192 0.849 0.558 0.935 0.609 CB 1.453 93 residues pruned to eliminate duplicates Z: 91 58.039 2.191 0.911 0.569 0.944 0.600 CB 1.447 91 residues pruned to eliminate duplicates Z: 59 47.876 2.207 0.965 0.584 0.914 0.672 CB 1.463 59 residues pruned to eliminate duplicates Z: 47 37.837 2.174 0.822 0.538 0.935 0.674 CB 1.451 47 residues pruned to eliminate duplicates Z: 51 32.886 2.123 0.681 0.505 0.940 0.480 CB 1.379 51 residues pruned to eliminate duplicates Z: 91 61.883 2.200 0.944 0.589 0.956 0.644 CB 1.465 91 residues pruned to eliminate duplicates Z: 61 48.006 2.191 0.916 0.585 0.967 0.683 CB 1.408 61 residues pruned to eliminate duplicates Z: 65 54.188 2.235 0.994 0.594 0.922 0.594 CB 1.507 65 residues pruned to eliminate duplicates Z: 60 45.727 2.187 0.828 0.592 0.966 0.644 CB 1.412 60 residues pruned to eliminate duplicates Z: 91 62.695 2.191 1.013 0.582 0.956 0.611 CB 1.449 91 residues pruned to eliminate duplicates Z: 38 31.554 2.142 0.836 0.532 0.919 0.676 CB 1.391 38 residues pruned to eliminate duplicates Z: 77 53.642 2.182 0.942 0.566 0.947 0.553 CB 1.438 77 residues pruned to eliminate duplicates Z: 74 54.949 2.219 0.967 0.598 0.932 0.575 CB 1.441 74 residues pruned to eliminate duplicates Z: 32 25.728 2.063 0.812 0.480 0.903 0.613 CB 1.397 32 residues pruned to eliminate duplicates Z: 99 58.193 2.173 0.883 0.563 0.939 0.561 CB 1.439 99 residues pruned to eliminate duplicates Z: 92 56.791 2.193 0.915 0.571 0.912 0.571 CB 1.451 92 residues pruned to eliminate duplicates Z: 88 58.547 2.174 0.934 0.554 0.954 0.644 CB 1.484 91 residues pruned to eliminate duplicates Z: 7 4.890 1.493 0.704 0.478 1.000 0.833 CB 0.802 7 residues pruned to eliminate duplicates Z: 27 23.646 2.047 0.692 0.546 1.000 0.654 CB 1.281 27 residues pruned to eliminate duplicates Z: 97 48.509 2.143 0.870 0.507 0.906 0.573 CB 1.354 97 residues pruned to eliminate duplicates Z: 25 24.652 2.092 0.700 0.589 0.917 0.750 CB 1.418 25 residues pruned to eliminate duplicates Z: 22 11.726 1.893 0.637 0.398 0.857 0.667 CB 1.074 22 residues pruned to eliminate duplicates Z: 14 16.696 1.950 0.883 0.535 0.846 0.615 CB 1.440 14 residues pruned to eliminate duplicates Z: 21 16.599 2.016 0.739 0.487 0.850 0.750 CB 1.262 21 residues pruned to eliminate duplicates Z: 31 22.005 2.030 0.739 0.475 0.900 0.633 CB 1.297 31 residues pruned to eliminate duplicates Z: 18 11.971 1.909 0.514 0.416 0.941 0.647 CB 1.165 18 residues pruned to eliminate duplicates Z: 24 22.944 2.024 0.833 0.528 0.870 0.652 CB 1.443 23 residues pruned to eliminate duplicates Z: 6 4.581 1.650 0.614 0.213 0.800 0.400 CA 1.348 6 residues pruned to eliminate duplicates Z: 24 24.854 2.015 0.901 0.548 0.870 0.696 CB 1.484 24 residues pruned to eliminate duplicates Z: 28 20.355 2.081 0.621 0.486 0.889 0.593 CB 1.325 28 residues pruned to eliminate duplicates Z: 29 20.459 2.050 0.597 0.469 0.893 0.607 CB 1.365 29 residues pruned to eliminate duplicates Z: 97 55.339 2.155 0.882 0.544 0.917 0.531 CB 1.455 97 residues pruned to eliminate duplicates Z: 59 45.363 2.214 0.837 0.583 0.931 0.655 CB 1.453 59 residues pruned to eliminate duplicates Z: 24 22.092 2.050 0.762 0.510 0.870 0.609 CB 1.451 24 residues pruned to eliminate duplicates Z: 100 52.803 2.160 0.837 0.532 0.889 0.586 CB 1.457 100 residues pruned to eliminate duplicates Z: 44 27.730 2.109 0.735 0.481 0.860 0.558 CB 1.370 33 residues pruned to eliminate duplicates Z: 7 3.096 1.795 -0.006 0.248 0.667 0.333 CA 1.421 7 residues pruned to eliminate duplicates Z: 8 8.519 1.830 0.551 0.353 0.857 0.571 N 1.550 8 residues pruned to eliminate duplicates Z: 44 39.854 2.248 0.717 0.594 0.953 0.698 CB 1.509 44 residues pruned to eliminate duplicates Z: 44 26.627 2.034 0.854 0.461 0.884 0.628 CB 1.268 44 residues pruned to eliminate duplicates Z: 18 15.946 2.101 0.929 0.477 0.824 0.471 CB 1.186 16 residues pruned to eliminate duplicates Z: 6 5.811 1.558 1.276 0.350 0.800 0.600 CA 1.078 Z: 19 27.025 1.963 0.615 0.915 1.000 0.944 CA 1.420 19 residues pruned to eliminate duplicates Z: 22 27.972 2.088 0.729 0.766 0.952 0.762 CB 1.403 22 residues pruned to eliminate duplicates Z: 24 28.520 2.072 0.703 0.731 0.957 0.696 CB 1.432 24 residues pruned to eliminate duplicates Z: 21 28.218 2.143 0.960 0.715 0.850 0.700 CB 1.455 21 residues pruned to eliminate duplicates Z: 18 29.202 2.101 0.930 0.865 0.941 0.765 CB 1.360 18 residues pruned to eliminate duplicates Z: 26 23.927 2.034 0.803 0.662 0.880 0.720 CB 1.276 26 residues pruned to eliminate duplicates Z: 42 30.322 2.057 0.915 0.583 0.878 0.610 CB 1.265 42 residues pruned to eliminate duplicates Z: 39 33.141 2.094 0.931 0.624 0.921 0.684 CB 1.285 39 residues pruned to eliminate duplicates Z: 25 19.976 2.014 0.732 0.633 0.833 0.667 CB 1.239 25 residues pruned to eliminate duplicates Z: 23 28.318 2.073 1.037 0.702 0.909 0.591 CB 1.309 23 residues pruned to eliminate duplicates Z: 24 21.845 2.053 0.819 0.674 0.870 0.609 CB 1.195 24 residues pruned to eliminate duplicates Z: 53 39.274 2.174 0.726 0.557 0.904 0.519 CB 1.519 53 residues pruned to eliminate duplicates Z: 24 28.317 2.055 1.003 0.680 0.913 0.522 CB 1.331 24 residues pruned to eliminate duplicates Z: 23 30.279 2.085 0.986 0.750 0.955 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 21 29.206 2.144 0.938 0.757 0.900 0.400 CB 1.389 21 residues pruned to eliminate duplicates Z: 28 18.349 2.015 0.701 0.588 0.852 0.296 CB 1.112 28 residues pruned to eliminate duplicates Z: 25 26.213 2.007 0.883 0.675 1.000 0.458 CB 1.206 25 residues pruned to eliminate duplicates Z: 22 25.368 2.126 0.846 0.699 0.905 0.571 CB 1.301 22 residues pruned to eliminate duplicates Z: 24 26.586 2.021 0.845 0.746 0.913 0.435 CB 1.306 24 residues pruned to eliminate duplicates Z: 29 17.720 1.875 0.796 0.594 0.821 0.429 CB 1.107 29 residues pruned to eliminate duplicates Z: 16 13.150 1.809 0.173 0.918 1.000 1.000 CB 1.128 16 residues pruned to eliminate duplicates Z: 16 9.754 1.765 -0.094 0.939 1.000 0.933 CB 1.095 16 residues pruned to eliminate duplicates Z: 12 8.350 1.845 -0.137 0.918 1.000 0.909 CB 1.115 12 residues pruned to eliminate duplicates Z: 15 13.268 1.840 0.232 0.939 1.000 1.000 CB 1.087 15 residues pruned to eliminate duplicates Z: 16 15.391 1.804 0.423 0.928 1.000 0.733 CB 1.084 16 residues pruned to eliminate duplicates Z: 15 15.419 1.857 0.389 0.939 1.000 0.786 CB 1.111 15 residues pruned to eliminate duplicates Z: 16 16.038 1.804 0.447 0.928 1.000 0.600 CB 1.111 16 residues pruned to eliminate duplicates Z: 16 16.769 1.819 0.502 0.924 1.000 0.867 CB 1.113 15 residues pruned to eliminate duplicates Z: 16 17.737 1.820 0.565 0.940 1.000 0.867 CB 1.116 16 residues pruned to eliminate duplicates Z: 16 16.993 1.814 0.534 0.919 1.000 0.933 CB 1.111 16 residues pruned to eliminate duplicates Z: 17 16.907 1.737 0.629 0.882 1.000 0.688 CB 1.081 17 residues pruned to eliminate duplicates Z: 17 16.644 1.748 0.590 0.879 1.000 0.812 CB 1.085 17 residues pruned to eliminate duplicates Z: 15 15.583 1.756 0.551 0.868 1.000 0.714 CB 1.118 15 residues pruned to eliminate duplicates Z: 17 14.256 1.742 0.481 0.865 0.938 0.812 CB 1.079 16 residues pruned to eliminate duplicates Z: 7 9.624 2.202 0.547 0.360 1.000 0.333 CB 1.340 7 residues pruned to eliminate duplicates Z: 31 37.527 2.419 0.831 0.555 0.933 0.700 CB 1.571 31 residues pruned to eliminate duplicates Z: 31 39.051 2.387 0.842 0.556 0.933 0.667 CB 1.646 31 residues pruned to eliminate duplicates Z: 29 41.691 2.469 0.931 0.554 0.929 0.643 CB 1.688 29 residues pruned to eliminate duplicates Z: 31 40.824 2.364 0.930 0.516 0.967 0.567 CB 1.664 31 residues pruned to eliminate duplicates Z: 25 31.726 2.313 0.705 0.553 0.958 0.875 CB 1.628 25 residues pruned to eliminate duplicates Z: 47 39.440 2.186 0.917 0.550 0.870 0.587 CB 1.520 53 residues pruned to eliminate duplicates Z: 29 42.664 2.429 0.913 0.548 0.964 0.750 CB 1.717 29 residues pruned to eliminate duplicates Z: 30 32.205 2.380 0.661 0.530 0.897 0.759 CB 1.638 30 residues pruned to eliminate duplicates Z: 31 44.129 2.424 0.902 0.554 1.000 0.767 CB 1.658 31 residues pruned to eliminate duplicates Z: 6 5.872 1.779 0.362 0.275 1.000 0.800 C 1.398 6 residues pruned to eliminate duplicates Z: 30 39.318 2.369 0.993 0.552 0.897 0.793 CB 1.640 30 residues pruned to eliminate duplicates Z: 131 72.327 2.253 0.835 0.601 0.923 0.577 CB 1.510 131 residues pruned to eliminate duplicates Z: 30 42.368 2.405 0.913 0.541 0.966 0.655 CB 1.701 30 residues pruned to eliminate duplicates Z: 31 38.591 2.412 0.879 0.512 0.900 0.500 CB 1.706 31 residues pruned to eliminate duplicates Z: 28 36.477 2.364 0.842 0.545 0.963 0.704 CB 1.602 28 residues pruned to eliminate duplicates Z: 7 4.101 1.810 0.411 0.375 1.000 0.667 CB 0.749 5 residues pruned to eliminate duplicates Z: 16 48.238 2.442 1.190 0.880 1.000 0.933 CB 1.688 16 residues pruned to eliminate duplicates Z: 32 38.674 2.233 0.848 0.606 0.935 0.806 CB 1.627 32 residues pruned to eliminate duplicates Z: 29 45.476 2.353 0.790 0.625 1.000 0.714 CA 1.815 29 residues pruned to eliminate duplicates Z: 33 31.101 2.088 0.875 0.478 0.938 0.656 CB 1.532 16 residues pruned to eliminate duplicates Z: 14 59.705 2.544 1.474 0.950 1.000 0.846 CB 1.815 14 residues pruned to eliminate duplicates Z: 17 41.104 2.429 1.084 0.774 1.000 0.812 CB 1.593 17 residues pruned to eliminate duplicates Z: 19 39.188 2.323 1.150 0.679 0.944 0.833 CA 1.660 19 residues pruned to eliminate duplicates Z: 31 38.426 2.285 0.858 0.582 0.933 0.800 CB 1.636 31 residues pruned to eliminate duplicates Z: 30 44.492 2.380 0.826 0.646 0.966 0.621 CB 1.719 30 residues pruned to eliminate duplicates Z: 30 47.134 2.375 0.859 0.666 0.966 0.759 CB 1.761 30 residues pruned to eliminate duplicates Z: 19 33.996 2.260 1.102 0.679 0.944 0.722 CB 1.514 19 residues pruned to eliminate duplicates Z: 29 47.481 2.434 0.812 0.668 0.964 0.679 CB 1.806 29 residues pruned to eliminate duplicates Z: 29 38.247 2.379 0.774 0.631 0.929 0.714 CB 1.630 29 residues pruned to eliminate duplicates Z: 30 51.363 2.388 0.927 0.658 1.000 0.759 CB 1.790 30 residues pruned to eliminate duplicates Z: 28 52.687 2.487 0.833 0.704 1.000 0.778 CB 1.848 28 residues pruned to eliminate duplicates Z: 29 48.155 2.444 0.784 0.689 0.964 0.750 CB 1.821 29 residues pruned to eliminate duplicates Z: 31 42.142 2.319 0.697 0.634 1.000 0.700 CB 1.725 31 residues pruned to eliminate duplicates Z: 27 42.260 2.448 0.745 0.636 0.923 0.692 CB 1.851 27 residues pruned to eliminate duplicates Z: 30 46.312 2.391 0.798 0.662 1.000 0.793 CB 1.722 30 residues pruned to eliminate duplicates Z: 30 42.852 2.355 0.808 0.620 0.931 0.759 CB 1.792 30 residues pruned to eliminate duplicates Z: 28 49.237 2.461 0.819 0.688 1.000 0.667 CB 1.782 45 residues pruned to eliminate duplicates Z: 6 2.491 1.575 -0.079 0.338 0.800 0.400 CA 1.146 6 residues pruned to eliminate duplicates Z: 29 48.040 2.423 0.834 0.679 0.964 0.786 CB 1.797 29 residues pruned to eliminate duplicates Z: 29 47.985 2.434 0.780 0.655 1.000 0.821 CB 1.812 28 residues pruned to eliminate duplicates Z: 6 4.611 1.525 1.060 0.295 0.800 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 33 37.985 2.144 0.790 0.700 0.938 0.781 CB 1.555 33 residues pruned to eliminate duplicates Z: 14 21.117 2.122 0.813 0.541 0.923 0.615 CB 1.584 14 residues pruned to eliminate duplicates Z: 17 14.685 1.955 0.685 0.453 0.812 0.625 CA 1.439 17 residues pruned to eliminate duplicates Z: 16 19.582 2.072 0.791 0.499 0.867 0.600 CB 1.574 16 residues pruned to eliminate duplicates Z: 17 16.263 1.945 0.805 0.441 0.875 0.562 CA 1.407 19 residues pruned to eliminate duplicates Z: 6 3.183 1.585 0.569 0.411 0.600 0.200 CA 1.047 5 residues pruned to eliminate duplicates Z: 7 6.959 1.702 1.013 0.373 1.000 0.667 CA 0.950 7 residues pruned to eliminate duplicates Z: 14 21.342 2.225 0.795 0.381 1.000 0.769 CB 1.682 14 residues pruned to eliminate duplicates Z: 6 4.896 1.795 1.008 0.236 0.600 0.200 C 1.375 6 residues pruned to eliminate duplicates Z: 16 16.290 2.105 0.554 0.379 0.933 0.800 CA 1.567 14 residues pruned to eliminate duplicates Z: 6 5.567 1.716 0.310 0.287 1.000 0.800 CA 1.407 6 residues pruned to eliminate duplicates Z: 26 32.642 2.449 0.687 0.462 0.920 0.440 CB 1.785 26 residues pruned to eliminate duplicates Z: 30 32.542 2.357 0.856 0.403 0.862 0.414 CB 1.775 30 residues pruned to eliminate duplicates Z: 34 32.260 2.334 0.909 0.435 0.788 0.485 CB 1.711 34 residues pruned to eliminate duplicates Z: 31 36.186 2.454 0.886 0.419 0.933 0.500 CB 1.664 31 residues pruned to eliminate duplicates Z: 31 37.818 2.438 0.844 0.429 0.933 0.333 CB 1.772 31 residues pruned to eliminate duplicates Z: 32 35.634 2.408 0.917 0.426 0.871 0.516 CB 1.720 32 residues pruned to eliminate duplicates Z: 32 30.719 2.356 0.772 0.401 0.871 0.323 CB 1.684 32 residues pruned to eliminate duplicates Z: 26 28.748 2.391 0.709 0.389 0.880 0.400 CA 1.798 26 residues pruned to eliminate duplicates Z: 28 30.565 2.328 0.849 0.427 0.889 0.370 CB 1.657 28 residues pruned to eliminate duplicates Z: 26 41.236 2.485 0.984 0.467 0.960 0.360 CB 1.803 26 residues pruned to eliminate duplicates Z: 16 25.544 2.480 0.713 0.408 0.933 0.467 CA 1.832 16 residues pruned to eliminate duplicates Z: 26 42.326 2.472 0.944 0.483 1.000 0.320 CB 1.793 26 residues pruned to eliminate duplicates Z: 26 27.134 2.365 0.779 0.395 0.880 0.400 CB 1.639 26 residues pruned to eliminate duplicates Z: 21 32.692 2.392 1.018 0.482 0.900 0.450 CB 1.713 21 residues pruned to eliminate duplicates Z: 20 32.977 2.482 0.925 0.488 0.895 0.526 CA 1.791 20 residues pruned to eliminate duplicates Z: 21 33.909 2.415 0.924 0.465 0.950 0.350 CB 1.779 21 residues pruned to eliminate duplicates Z: 21 26.874 2.418 0.831 0.454 0.800 0.400 CA 1.779 21 residues pruned to eliminate duplicates Z: 46 27.566 2.206 0.804 0.367 0.778 0.311 CB 1.531 46 residues pruned to eliminate duplicates Z: 26 41.187 2.465 1.083 0.466 0.920 0.480 CB 1.805 26 residues pruned to eliminate duplicates Z: 26 35.704 2.480 1.002 0.445 0.840 0.400 CB 1.812 26 residues pruned to eliminate duplicates Z: 97 54.886 2.218 0.823 0.523 0.917 0.510 CB 1.478 97 residues pruned to eliminate duplicates Z: 8 14.850 2.260 1.027 0.316 1.000 0.000 CB 1.501 8 residues pruned to eliminate duplicates Z: 19 21.962 2.107 0.803 0.597 0.889 0.556 CB 1.397 19 residues pruned to eliminate duplicates Z: 82 57.214 2.273 0.821 0.570 0.926 0.642 CB 1.550 82 residues pruned to eliminate duplicates Z: 57 40.772 2.229 0.829 0.498 0.839 0.500 CB 1.595 57 residues pruned to eliminate duplicates Z: 119 59.095 2.150 0.835 0.549 0.924 0.593 CB 1.424 119 residues pruned to eliminate duplicates Z: 66 40.226 2.117 0.668 0.623 0.877 0.708 CB 1.435 66 residues pruned to eliminate duplicates Z: 85 57.458 2.257 0.822 0.580 0.917 0.595 CB 1.541 85 residues pruned to eliminate duplicates Z: 86 56.389 2.224 0.793 0.563 0.941 0.553 CB 1.533 86 residues pruned to eliminate duplicates Z: 88 46.141 2.168 0.743 0.520 0.885 0.586 CB 1.450 88 residues pruned to eliminate duplicates Z: 73 47.186 2.260 0.784 0.577 0.847 0.556 CB 1.512 73 residues pruned to eliminate duplicates Z: 95 55.839 2.257 0.816 0.540 0.894 0.574 CB 1.512 95 residues pruned to eliminate duplicates Z: 33 28.911 2.164 0.926 0.526 0.812 0.500 CB 1.472 33 residues pruned to eliminate duplicates Z: 85 59.857 2.223 0.892 0.564 0.940 0.607 CB 1.551 85 residues pruned to eliminate duplicates Z: 84 48.305 2.197 0.715 0.540 0.916 0.530 CB 1.478 84 residues pruned to eliminate duplicates Z: 75 52.352 2.243 0.846 0.553 0.905 0.568 CB 1.541 75 residues pruned to eliminate duplicates Z: 28 29.910 2.258 0.795 0.588 0.815 0.630 CB 1.603 28 residues pruned to eliminate duplicates Z: 75 51.986 2.235 0.793 0.569 0.946 0.622 CB 1.491 75 residues pruned to eliminate duplicates Z: 98 49.639 2.124 0.741 0.541 0.907 0.629 CB 1.443 98 residues pruned to eliminate duplicates Z: 70 51.393 2.256 0.825 0.579 0.928 0.623 CB 1.502 70 residues pruned to eliminate duplicates Z: 39 33.462 2.248 0.747 0.504 0.842 0.500 CB 1.635 39 residues pruned to eliminate duplicates Z: 76 49.429 2.244 0.757 0.553 0.920 0.600 CB 1.494 76 residues pruned to eliminate duplicates Z: 74 52.012 2.262 0.813 0.555 0.904 0.589 CB 1.557 74 residues pruned to eliminate duplicates Z: 75 53.680 2.270 0.883 0.555 0.919 0.581 CB 1.507 75 residues pruned to eliminate duplicates Z: 90 46.568 2.145 0.749 0.544 0.888 0.607 CB 1.420 90 residues pruned to eliminate duplicates Z: 43 35.640 2.318 0.774 0.472 0.881 0.476 CB 1.563 43 residues pruned to eliminate duplicates Z: 53 37.100 2.265 0.637 0.495 0.865 0.538 CB 1.612 53 residues pruned to eliminate duplicates Z: 42 44.390 2.353 0.842 0.541 0.927 0.659 CB 1.657 42 residues pruned to eliminate duplicates Z: 71 48.089 2.252 0.750 0.562 0.914 0.586 CB 1.502 71 residues pruned to eliminate duplicates Z: 86 54.045 2.221 0.834 0.559 0.906 0.576 CB 1.500 86 residues pruned to eliminate duplicates Z: 111 66.410 2.284 0.898 0.533 0.900 0.555 CB 1.572 111 residues pruned to eliminate duplicates Z: 87 55.706 2.235 0.818 0.556 0.919 0.593 CB 1.524 87 residues pruned to eliminate duplicates Z: 36 34.409 2.315 0.747 0.520 0.857 0.629 CB 1.645 36 residues pruned to eliminate duplicates Z: 82 56.349 2.257 0.801 0.595 0.914 0.617 CB 1.539 82 residues pruned to eliminate duplicates Z: 83 47.557 2.201 0.784 0.536 0.890 0.598 CB 1.450 83 residues pruned to eliminate duplicates Z: 90 50.753 2.142 0.831 0.529 0.910 0.674 CB 1.466 90 residues pruned to eliminate duplicates Z: 54 40.874 2.161 0.845 0.545 0.906 0.660 CB 1.487 54 residues pruned to eliminate duplicates Z: 72 49.577 2.235 0.763 0.582 0.915 0.577 CB 1.507 72 residues pruned to eliminate duplicates Z: 96 48.703 2.094 0.710 0.555 0.926 0.642 CB 1.429 96 residues pruned to eliminate duplicates Z: 75 45.879 2.221 0.651 0.574 0.892 0.608 CB 1.519 75 residues pruned to eliminate duplicates Z: 73 48.217 2.241 0.750 0.568 0.903 0.583 CB 1.504 73 residues pruned to eliminate duplicates Z: 83 54.800 2.232 0.844 0.544 0.951 0.659 CB 1.481 83 residues pruned to eliminate duplicates Z: 88 50.146 2.150 0.768 0.558 0.931 0.678 CB 1.435 88 residues pruned to eliminate duplicates Z: 55 41.482 2.269 0.752 0.501 0.907 0.537 CB 1.563 55 residues pruned to eliminate duplicates Z: 79 50.598 2.234 0.713 0.550 0.910 0.615 CB 1.567 79 residues pruned to eliminate duplicates Z: 26 27.809 2.259 0.692 0.566 0.840 0.440 CB 1.625 26 residues pruned to eliminate duplicates Z: 75 51.834 2.253 0.828 0.577 0.919 0.568 CB 1.478 75 residues pruned to eliminate duplicates Z: 75 48.090 2.232 0.817 0.561 0.892 0.595 CB 1.458 75 residues pruned to eliminate duplicates Z: 82 58.377 2.281 0.837 0.598 0.914 0.617 CB 1.544 82 residues pruned to eliminate duplicates Z: 109 52.392 2.103 0.770 0.540 0.907 0.602 CB 1.434 109 residues pruned to eliminate duplicates Z: 72 55.340 2.263 0.912 0.581 0.901 0.620 CB 1.558 72 residues pruned to eliminate duplicates Z: 84 53.740 2.222 0.846 0.564 0.916 0.651 CB 1.476 84 residues pruned to eliminate duplicates Z: 34 31.084 2.159 0.783 0.622 0.939 0.667 CB 1.333 34 residues pruned to eliminate duplicates Z: 78 54.238 2.205 0.830 0.564 0.961 0.623 CB 1.497 78 residues pruned to eliminate duplicates Z: 84 50.323 2.168 0.747 0.590 0.916 0.687 CB 1.461 84 residues pruned to eliminate duplicates Z: 88 58.637 2.224 0.897 0.579 0.931 0.644 CB 1.484 88 residues pruned to eliminate duplicates Z: 39 36.803 2.164 0.774 0.653 0.947 0.684 CB 1.423 39 residues pruned to eliminate duplicates Z: 73 51.593 2.237 0.843 0.592 0.903 0.611 CB 1.497 73 residues pruned to eliminate duplicates Z: 102 56.587 2.165 0.831 0.590 0.911 0.663 CB 1.430 102 residues pruned to eliminate duplicates Z: 42 22.580 1.919 0.698 0.503 0.951 0.683 CB 1.134 42 residues pruned to eliminate duplicates Z: 90 51.636 2.166 0.826 0.556 0.910 0.607 CB 1.439 90 residues pruned to eliminate duplicates Z: 59 32.128 1.950 0.817 0.576 0.897 0.655 CB 1.235 59 residues pruned to eliminate duplicates Z: 88 53.249 2.172 0.845 0.566 0.931 0.655 CB 1.436 88 residues pruned to eliminate duplicates Z: 35 35.519 2.205 0.924 0.653 0.941 0.588 CB 1.324 35 residues pruned to eliminate duplicates Z: 37 35.933 2.151 0.930 0.661 0.944 0.583 CB 1.315 37 residues pruned to eliminate duplicates Z: 77 54.227 2.238 0.887 0.576 0.934 0.592 CB 1.465 77 residues pruned to eliminate duplicates Z: 75 55.540 2.250 0.920 0.583 0.946 0.622 CB 1.459 75 residues pruned to eliminate duplicates Z: 112 55.662 2.097 0.809 0.573 0.946 0.658 CB 1.372 112 residues pruned to eliminate duplicates Z: 19 13.278 1.889 0.639 0.596 0.889 0.556 CB 1.038 19 residues pruned to eliminate duplicates Z: 28 19.560 1.964 0.772 0.523 0.926 0.519 CB 1.142 28 residues pruned to eliminate duplicates Z: 73 51.102 2.249 0.841 0.574 0.917 0.639 CB 1.477 73 residues pruned to eliminate duplicates Z: 24 22.982 2.019 0.772 0.634 1.000 0.565 CB 1.181 24 residues pruned to eliminate duplicates Z: 85 52.135 2.160 0.869 0.574 0.929 0.619 CB 1.413 85 residues pruned to eliminate duplicates Z: 95 62.038 2.229 0.948 0.566 0.926 0.564 CB 1.493 95 residues pruned to eliminate duplicates Z: 99 53.135 2.098 0.876 0.558 0.939 0.643 CB 1.373 99 residues pruned to eliminate duplicates Z: 85 52.799 2.158 0.878 0.582 0.917 0.619 CB 1.432 85 residues pruned to eliminate duplicates Z: 51 34.057 2.072 0.863 0.593 0.920 0.620 CB 1.241 51 residues pruned to eliminate duplicates Z: 90 49.074 2.156 0.805 0.566 0.899 0.573 CB 1.395 90 residues pruned to eliminate duplicates Z: 97 45.878 2.078 0.801 0.553 0.896 0.562 CB 1.326 97 residues pruned to eliminate duplicates Z: 67 34.257 1.983 0.689 0.501 0.909 0.727 CB 1.383 67 residues pruned to eliminate duplicates Z: 99 49.119 2.129 0.733 0.582 0.888 0.602 CB 1.399 99 residues pruned to eliminate duplicates Z: 28 12.854 1.709 0.571 0.472 0.926 0.593 CB 1.024 28 residues pruned to eliminate duplicates Z: 46 33.934 2.114 0.841 0.587 0.956 0.511 CB 1.251 46 residues pruned to eliminate duplicates Z: 99 50.722 2.105 0.790 0.563 0.908 0.582 CB 1.409 99 residues pruned to eliminate duplicates Z: 88 49.295 2.132 0.813 0.564 0.908 0.598 CB 1.415 88 residues pruned to eliminate duplicates Z: 94 52.080 2.135 0.806 0.568 0.914 0.591 CB 1.435 94 residues pruned to eliminate duplicates Z: 100 51.417 2.111 0.763 0.572 0.929 0.636 CB 1.393 100 residues pruned to eliminate duplicates Z: 106 48.371 2.093 0.761 0.523 0.895 0.562 CB 1.398 106 residues pruned to eliminate duplicates Z: 39 18.557 1.814 0.673 0.582 0.895 0.553 CB 1.025 39 residues pruned to eliminate duplicates Z: 19 9.793 1.630 0.423 0.507 0.889 0.667 CB 1.112 19 residues pruned to eliminate duplicates Z: 32 14.829 1.751 0.614 0.463 0.935 0.613 CB 1.046 32 residues pruned to eliminate duplicates Z: 34 15.113 1.778 0.605 0.464 0.879 0.667 CB 1.088 34 residues pruned to eliminate duplicates Z: 27 15.199 1.878 0.570 0.440 0.846 0.654 CB 1.271 27 residues pruned to eliminate duplicates Z: 11 16.096 1.958 1.070 0.634 1.000 0.900 N 1.108 11 residues pruned to eliminate duplicates Z: 55 42.398 2.146 0.760 0.677 0.889 0.611 CB 1.461 55 residues pruned to eliminate duplicates Z: 41 37.277 2.206 0.783 0.663 0.925 0.675 CB 1.394 41 residues pruned to eliminate duplicates Z: 41 36.636 2.178 0.753 0.620 0.925 0.650 CB 1.464 41 residues pruned to eliminate duplicates Z: 40 41.660 2.204 0.774 0.660 0.974 0.718 CB 1.510 40 residues pruned to eliminate duplicates Z: 13 13.996 1.968 0.773 0.509 0.917 0.667 CB 1.251 13 residues pruned to eliminate duplicates Z: 12 14.711 1.948 0.876 0.578 0.909 0.636 N 1.238 12 residues pruned to eliminate duplicates Z: 10 19.291 1.967 1.172 0.666 1.000 0.889 CB 1.291 10 residues pruned to eliminate duplicates Z: 11 19.285 1.965 1.122 0.707 1.000 1.000 N 1.212 11 residues pruned to eliminate duplicates Z: 41 38.043 2.166 0.807 0.645 0.900 0.600 CB 1.492 41 residues pruned to eliminate duplicates Z: 40 39.513 2.186 0.831 0.664 0.949 0.744 CB 1.432 40 residues pruned to eliminate duplicates Z: 30 39.203 2.271 0.762 0.686 0.966 0.724 CB 1.588 30 residues pruned to eliminate duplicates Z: 30 35.247 2.278 0.642 0.656 0.966 0.724 CB 1.568 30 residues pruned to eliminate duplicates Z: 40 45.847 2.222 0.901 0.688 0.974 0.692 CB 1.502 40 residues pruned to eliminate duplicates Z: 87 41.687 2.191 0.577 0.552 0.884 0.512 CB 1.399 87 residues pruned to eliminate duplicates Z: 9 4.669 2.056 -0.036 0.221 0.875 0.250 CB 1.320 9 residues pruned to eliminate duplicates Z: 32 34.538 2.258 0.626 0.634 0.968 0.645 CB 1.540 32 residues pruned to eliminate duplicates Z: 56 49.688 2.315 0.884 0.534 0.873 0.436 CB 1.702 56 residues pruned to eliminate duplicates Z: 43 39.656 2.216 0.597 0.717 0.952 0.667 CB 1.491 43 residues pruned to eliminate duplicates Z: 39 34.760 2.186 0.726 0.619 0.947 0.658 CB 1.410 39 residues pruned to eliminate duplicates Z: 52 37.428 2.185 0.554 0.688 0.941 0.765 CB 1.381 52 residues pruned to eliminate duplicates Z: 33 29.003 2.161 0.603 0.552 0.938 0.531 CB 1.501 33 residues pruned to eliminate duplicates Z: 30 36.495 2.264 0.659 0.640 0.966 0.655 CB 1.639 30 residues pruned to eliminate duplicates Z: 24 32.438 2.215 0.773 0.768 0.913 0.783 CB 1.487 24 residues pruned to eliminate duplicates Z: 31 32.184 2.238 0.633 0.625 0.933 0.733 CB 1.531 31 residues pruned to eliminate duplicates Z: 24 32.403 2.169 0.746 0.759 0.957 0.826 CB 1.481 24 residues pruned to eliminate duplicates Z: 23 38.637 2.250 0.845 0.752 1.000 0.864 CB 1.585 23 residues pruned to eliminate duplicates Z: 23 42.454 2.279 0.833 0.811 1.000 0.955 CB 1.652 23 residues pruned to eliminate duplicates Z: 38 36.839 2.196 0.594 0.769 0.946 0.649 CB 1.442 38 residues pruned to eliminate duplicates Z: 79 45.838 2.180 0.692 0.620 0.897 0.641 CB 1.400 79 residues pruned to eliminate duplicates Z: 41 39.995 2.192 0.718 0.647 0.950 0.775 CB 1.541 41 residues pruned to eliminate duplicates Z: 43 36.057 2.204 0.587 0.675 0.929 0.714 CB 1.457 43 residues pruned to eliminate duplicates Z: 21 43.048 2.307 0.919 0.871 1.000 0.900 CB 1.585 21 residues pruned to eliminate duplicates Z: 34 39.502 2.193 0.735 0.798 0.970 0.818 CB 1.435 34 residues pruned to eliminate duplicates Z: 35 34.235 2.207 0.548 0.816 0.941 0.794 CB 1.388 35 residues pruned to eliminate duplicates Z: 78 43.122 2.065 0.706 0.601 0.948 0.753 CB 1.337 78 residues pruned to eliminate duplicates Z: 23 38.267 2.284 0.701 0.813 1.000 0.818 CB 1.599 23 residues pruned to eliminate duplicates Z: 34 36.034 2.230 0.622 0.832 0.939 0.697 CB 1.386 34 residues pruned to eliminate duplicates Z: 34 42.182 2.237 0.730 0.831 1.000 0.788 CB 1.425 34 residues pruned to eliminate duplicates Z: 56 38.432 2.132 0.628 0.665 0.927 0.636 CB 1.382 56 residues pruned to eliminate duplicates Z: 43 40.229 2.197 0.626 0.700 0.976 0.690 CB 1.484 43 residues pruned to eliminate duplicates Z: 37 39.503 2.214 0.643 0.771 1.000 0.778 CB 1.424 37 residues pruned to eliminate duplicates Z: 35 40.395 2.219 0.679 0.798 1.000 0.676 CB 1.432 35 residues pruned to eliminate duplicates Z: 45 34.119 2.194 0.629 0.606 0.932 0.545 CB 1.397 45 residues pruned to eliminate duplicates Z: 36 38.618 2.224 0.597 0.786 1.000 0.714 CB 1.430 36 residues pruned to eliminate duplicates Z: 58 34.484 2.189 0.579 0.579 0.912 0.632 CB 1.342 58 residues pruned to eliminate duplicates Z: 44 36.095 2.204 0.531 0.649 0.977 0.698 CB 1.453 44 residues pruned to eliminate duplicates Z: 15 16.630 2.141 0.450 0.763 0.929 0.643 CB 1.221 15 residues pruned to eliminate duplicates Z: 54 39.341 2.187 0.593 0.690 0.962 0.717 CB 1.355 54 residues pruned to eliminate duplicates Z: 37 36.745 2.194 0.641 0.778 0.944 0.722 CB 1.409 37 residues pruned to eliminate duplicates Z: 35 39.757 2.217 0.728 0.811 0.971 0.765 CB 1.400 35 residues pruned to eliminate duplicates Z: 40 37.557 2.189 0.720 0.746 0.949 0.744 CB 1.352 40 residues pruned to eliminate duplicates Z: 33 27.424 2.143 0.515 0.757 0.906 0.688 CB 1.311 33 residues pruned to eliminate duplicates Z: 47 37.666 2.182 0.606 0.700 0.935 0.717 CB 1.413 47 residues pruned to eliminate duplicates Z: 67 40.738 2.136 0.624 0.568 0.909 0.530 CB 1.489 67 residues pruned to eliminate duplicates Z: 73 43.435 2.187 0.568 0.652 0.931 0.653 CB 1.392 73 residues pruned to eliminate duplicates Z: 76 44.400 2.187 0.565 0.627 0.933 0.640 CB 1.424 76 residues pruned to eliminate duplicates Z: 93 47.654 2.122 0.696 0.609 0.924 0.587 CB 1.348 93 residues pruned to eliminate duplicates Z: 80 48.449 2.171 0.713 0.648 0.911 0.646 CB 1.401 80 residues pruned to eliminate duplicates Z: 60 39.303 2.172 0.641 0.626 0.915 0.678 CB 1.393 60 residues pruned to eliminate duplicates Z: 81 50.622 2.194 0.795 0.635 0.913 0.600 CB 1.388 81 residues pruned to eliminate duplicates Z: 60 38.551 2.184 0.686 0.616 0.881 0.593 CB 1.386 60 residues pruned to eliminate duplicates Z: 8 8.660 2.187 0.424 0.390 0.857 0.571 CB 1.379 8 residues pruned to eliminate duplicates Z: 32 27.668 2.202 0.585 0.561 0.935 0.710 CB 1.435 32 residues pruned to eliminate duplicates Z: 107 53.538 2.154 0.635 0.648 0.925 0.689 CB 1.391 107 residues pruned to eliminate duplicates Z: 71 45.177 2.198 0.573 0.673 0.943 0.657 CB 1.411 71 residues pruned to eliminate duplicates Z: 68 38.687 2.160 0.537 0.557 0.955 0.582 CB 1.410 68 residues pruned to eliminate duplicates Z: 24 26.277 2.214 0.573 0.691 0.913 0.652 CB 1.447 24 residues pruned to eliminate duplicates Z: 72 47.131 2.203 0.661 0.673 0.930 0.648 CB 1.402 72 residues pruned to eliminate duplicates Z: 69 45.758 2.192 0.609 0.691 0.941 0.706 CB 1.404 69 residues pruned to eliminate duplicates Z: 70 46.469 2.194 0.626 0.689 0.942 0.725 CB 1.399 70 residues pruned to eliminate duplicates Z: 69 39.707 2.118 0.780 0.551 0.897 0.559 CB 1.354 69 residues pruned to eliminate duplicates Z: 25 26.889 2.209 0.673 0.639 0.917 0.708 CB 1.422 25 residues pruned to eliminate duplicates Z: 21 23.166 2.111 0.482 0.695 0.950 0.550 CB 1.459 21 residues pruned to eliminate duplicates Z: 17 24.809 2.245 0.561 0.780 0.938 0.750 CB 1.475 17 residues pruned to eliminate duplicates Z: 74 47.414 2.180 0.678 0.652 0.945 0.671 CB 1.393 74 residues pruned to eliminate duplicates Z: 50 40.262 2.151 0.781 0.669 0.939 0.714 CB 1.368 50 residues pruned to eliminate duplicates Z: 89 45.787 2.165 0.622 0.592 0.909 0.648 CB 1.399 89 residues pruned to eliminate duplicates Z: 95 47.666 2.145 0.722 0.565 0.883 0.585 CB 1.415 95 residues pruned to eliminate duplicates Z: 33 31.569 2.229 0.768 0.605 0.875 0.625 CB 1.465 33 residues pruned to eliminate duplicates Z: 64 36.077 2.094 0.702 0.568 0.921 0.540 CB 1.297 64 residues pruned to eliminate duplicates Z: 85 47.656 2.149 0.687 0.641 0.905 0.667 CB 1.389 85 residues pruned to eliminate duplicates Z: 71 37.280 2.082 0.663 0.589 0.900 0.643 CB 1.313 71 residues pruned to eliminate duplicates Z: 85 51.354 2.155 0.706 0.643 0.940 0.631 CB 1.418 85 residues pruned to eliminate duplicates Z: 72 45.276 2.191 0.649 0.662 0.915 0.606 CB 1.397 72 residues pruned to eliminate duplicates Z: 62 36.493 2.151 0.721 0.581 0.869 0.541 CB 1.344 62 residues pruned to eliminate duplicates Z: 55 39.976 2.206 0.769 0.552 0.870 0.463 CB 1.522 55 residues pruned to eliminate duplicates Z: 91 45.472 2.158 0.722 0.581 0.889 0.578 CB 1.342 91 residues pruned to eliminate duplicates Z: 79 46.088 2.153 0.711 0.613 0.872 0.615 CB 1.460 79 residues pruned to eliminate duplicates Z: 20 17.557 1.940 0.920 0.455 0.789 0.421 CB 1.434 20 residues pruned to eliminate duplicates Z: 41 37.136 2.222 0.954 0.567 0.925 0.550 CB 1.371 41 residues pruned to eliminate duplicates Z: 56 42.226 2.163 0.888 0.570 0.909 0.545 CB 1.434 56 residues pruned to eliminate duplicates Z: 15 15.040 2.092 0.887 0.453 0.929 0.500 CB 1.150 15 residues pruned to eliminate duplicates Z: 11 13.020 1.967 0.815 0.465 0.800 0.700 N 1.493 11 residues pruned to eliminate duplicates Z: 46 42.895 2.291 0.678 0.612 0.889 0.533 CB 1.684 46 residues pruned to eliminate duplicates Z: 40 35.328 2.316 0.778 0.476 0.821 0.538 CB 1.716 40 residues pruned to eliminate duplicates Z: 31 30.373 2.313 0.848 0.430 0.833 0.567 CB 1.675 31 residues pruned to eliminate duplicates Z: 20 31.924 2.417 0.707 0.597 0.895 0.579 CB 1.809 20 residues pruned to eliminate duplicates Z: 22 25.391 2.329 0.677 0.544 0.857 0.571 CB 1.586 22 residues pruned to eliminate duplicates Z: 34 30.955 2.311 0.641 0.499 0.848 0.485 CB 1.677 34 residues pruned to eliminate duplicates Z: 52 39.692 2.134 0.768 0.570 0.922 0.569 CB 1.494 52 residues pruned to eliminate duplicates Z: 35 34.818 2.339 0.872 0.438 0.882 0.559 CB 1.648 35 residues pruned to eliminate duplicates Z: 32 35.087 2.335 0.784 0.519 0.871 0.710 CB 1.704 32 residues pruned to eliminate duplicates Z: 19 36.594 2.405 0.708 0.647 1.000 0.778 CB 1.831 19 residues pruned to eliminate duplicates Z: 21 25.978 2.317 0.666 0.550 0.900 0.600 CB 1.592 21 residues pruned to eliminate duplicates Z: 24 27.352 2.347 0.722 0.432 0.870 0.478 CB 1.742 24 residues pruned to eliminate duplicates Z: 28 38.730 2.426 0.915 0.455 0.889 0.704 CB 1.889 28 residues pruned to eliminate duplicates Z: 15 30.956 2.375 0.824 0.732 0.857 0.714 CB 1.809 15 residues pruned to eliminate duplicates Z: 28 42.362 2.469 0.911 0.551 0.889 0.704 CB 1.850 28 residues pruned to eliminate duplicates Z: 51 47.555 2.411 0.730 0.581 0.840 0.640 CB 1.776 51 residues pruned to eliminate duplicates Z: 26 34.848 2.499 0.753 0.453 0.880 0.440 CB 1.897 26 residues pruned to eliminate duplicates Z: 29 30.307 2.411 0.692 0.429 0.821 0.536 CB 1.840 29 residues pruned to eliminate duplicates Z: 29 36.027 2.398 0.794 0.425 0.929 0.429 CB 1.842 29 residues pruned to eliminate duplicates Z: 31 34.661 2.351 0.837 0.468 0.867 0.600 CB 1.747 31 residues pruned to eliminate duplicates Z: 30 32.519 2.402 0.769 0.444 0.828 0.517 CB 1.819 30 residues pruned to eliminate duplicates Z: 29 42.470 2.381 0.789 0.588 0.929 0.714 CB 1.865 29 residues pruned to eliminate duplicates Z: 28 42.092 2.449 0.801 0.578 0.963 0.704 CB 1.769 28 residues pruned to eliminate duplicates Z: 107 60.448 2.237 0.729 0.602 0.906 0.623 CB 1.521 107 residues pruned to eliminate duplicates Z: 53 49.910 2.194 0.844 0.647 0.962 0.596 CB 1.551 53 residues pruned to eliminate duplicates Z: 19 14.024 2.090 0.449 0.396 0.889 0.611 CB 1.371 19 residues pruned to eliminate duplicates Z: 61 54.718 2.397 0.640 0.574 0.933 0.717 CB 1.793 61 residues pruned to eliminate duplicates Z: 62 52.886 2.327 0.749 0.537 0.918 0.607 CB 1.747 62 residues pruned to eliminate duplicates Z: 60 52.452 2.356 0.671 0.550 0.949 0.678 CB 1.739 60 residues pruned to eliminate duplicates Z: 62 56.192 2.374 0.792 0.605 0.918 0.689 CB 1.667 62 residues pruned to eliminate duplicates Z: 10 4.998 1.696 0.503 0.430 0.778 0.556 CB 0.903 10 residues pruned to eliminate duplicates Z: 32 34.698 2.338 0.620 0.581 0.871 0.548 CB 1.749 32 residues pruned to eliminate duplicates Z: 26 25.026 2.207 0.704 0.571 0.800 0.640 CB 1.554 26 residues pruned to eliminate duplicates Z: 37 31.534 2.231 0.608 0.570 0.889 0.556 CB 1.541 37 residues pruned to eliminate duplicates Z: 84 64.092 2.270 0.810 0.631 0.940 0.590 CB 1.612 84 residues pruned to eliminate duplicates Z: 17 15.289 2.175 0.458 0.413 0.875 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 33 33.396 2.274 0.556 0.558 0.906 0.562 CB 1.739 33 residues pruned to eliminate duplicates Z: 33 38.532 2.341 0.691 0.577 0.906 0.656 CB 1.763 33 residues pruned to eliminate duplicates Z: 28 41.254 2.429 0.568 0.668 0.963 0.704 CB 1.854 28 residues pruned to eliminate duplicates Z: 29 34.639 2.382 0.698 0.624 0.857 0.714 CB 1.680 29 residues pruned to eliminate duplicates Z: 93 50.239 2.248 0.658 0.531 0.870 0.533 CB 1.566 93 residues pruned to eliminate duplicates Z: 29 45.620 2.422 0.760 0.661 0.964 0.679 CB 1.806 29 residues pruned to eliminate duplicates Z: 32 30.172 2.273 0.699 0.569 0.806 0.677 CB 1.628 32 residues pruned to eliminate duplicates Z: 34 39.274 2.361 0.616 0.640 0.909 0.667 CB 1.729 34 residues pruned to eliminate duplicates Z: 28 39.804 2.417 0.660 0.640 0.926 0.667 CB 1.808 28 residues pruned to eliminate duplicates Z: 24 47.131 2.480 0.839 0.684 1.000 0.696 CB 1.819 24 residues pruned to eliminate duplicates Z: 25 27.764 2.293 0.627 0.657 0.833 0.750 CA 1.576 25 residues pruned to eliminate duplicates Z: 25 31.594 2.289 0.682 0.651 0.875 0.708 CA 1.663 25 residues pruned to eliminate duplicates Z: 63 56.105 2.345 0.795 0.597 0.919 0.677 CB 1.679 63 residues pruned to eliminate duplicates Z: 25 49.026 2.428 0.941 0.672 1.000 0.708 CB 1.812 25 residues pruned to eliminate duplicates Z: 87 65.393 2.270 0.815 0.627 0.953 0.616 CB 1.593 87 residues pruned to eliminate duplicates Z: 32 34.698 2.309 0.619 0.574 0.871 0.645 CB 1.783 32 residues pruned to eliminate duplicates Z: 35 34.968 2.300 0.613 0.524 0.912 0.588 CB 1.732 35 residues pruned to eliminate duplicates Z: 28 38.221 2.399 0.559 0.637 0.926 0.630 CB 1.868 28 residues pruned to eliminate duplicates Z: 63 47.096 2.334 0.667 0.531 0.903 0.629 CB 1.650 63 residues pruned to eliminate duplicates Z: 30 41.495 2.333 0.756 0.620 0.966 0.517 CB 1.740 30 residues pruned to eliminate duplicates Z: 38 34.271 2.264 0.602 0.554 0.919 0.649 CB 1.603 38 residues pruned to eliminate duplicates Z: 34 34.603 2.282 0.638 0.539 0.909 0.636 CB 1.706 34 residues pruned to eliminate duplicates Z: 32 35.700 2.329 0.613 0.563 0.903 0.548 CB 1.778 32 residues pruned to eliminate duplicates Z: 36 38.207 2.300 0.671 0.588 0.886 0.629 CA 1.744 36 residues pruned to eliminate duplicates Z: 36 35.062 2.276 0.557 0.574 0.943 0.714 CB 1.652 36 residues pruned to eliminate duplicates Z: 20 19.426 1.934 0.857 0.521 0.895 0.684 CB 1.358 20 residues pruned to eliminate duplicates Z: 19 24.617 1.955 0.958 0.535 1.000 0.667 CB 1.465 20 residues pruned to eliminate duplicates Z: 7 13.383 1.887 0.814 0.854 1.000 0.833 CA 1.179 7 residues pruned to eliminate duplicates Z: 19 25.338 2.025 0.874 0.546 1.000 0.611 CB 1.504 19 residues pruned to eliminate duplicates Z: 8 8.600 1.744 0.560 0.889 0.857 0.857 CA 1.004 7 residues pruned to eliminate duplicates Z: 8 12.679 1.810 0.699 0.881 1.000 0.714 CA 1.128 8 residues pruned to eliminate duplicates Z: 11 16.243 1.833 0.952 0.667 1.000 0.800 CB 1.230 11 residues pruned to eliminate duplicates Z: 20 22.574 1.932 0.811 0.561 1.000 0.526 CB 1.395 20 residues pruned to eliminate duplicates Z: 20 23.895 1.928 0.914 0.579 1.000 0.684 CB 1.377 20 residues pruned to eliminate duplicates Z: 8 16.249 1.906 0.995 0.570 1.000 0.571 CA 1.509 8 residues pruned to eliminate duplicates Z: 19 26.400 2.034 0.851 0.584 1.000 0.778 CB 1.525 19 residues pruned to eliminate duplicates Z: 8 6.800 1.535 0.761 0.367 1.000 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 19 21.070 2.030 0.845 0.529 0.889 0.722 CB 1.450 19 residues pruned to eliminate duplicates Z: 19 22.650 2.031 0.744 0.551 1.000 0.722 CB 1.434 19 residues pruned to eliminate duplicates Z: 13 15.070 2.097 0.542 0.462 1.000 0.667 CB 1.399 13 residues pruned to eliminate duplicates Z: 14 14.154 1.972 0.565 0.420 1.000 0.462 CB 1.384 14 residues pruned to eliminate duplicates Z: 14 13.548 1.980 0.705 0.414 0.923 0.692 CB 1.320 14 residues pruned to eliminate duplicates Z: 13 15.494 1.998 0.726 0.481 1.000 0.750 CB 1.322 14 residues pruned to eliminate duplicates Z: 6 3.307 1.493 0.279 0.306 1.000 0.600 N 0.961 6 residues pruned to eliminate duplicates Z: 14 16.102 1.982 0.680 0.450 1.000 0.692 CB 1.412 14 residues pruned to eliminate duplicates Z: 30 30.032 1.980 0.903 0.610 0.931 0.552 CB 1.433 29 residues pruned to eliminate duplicates Z: 6 5.311 1.732 0.639 0.332 0.800 0.000 C 1.257 6 residues pruned to eliminate duplicates Z: 32 42.093 2.387 0.882 0.566 0.903 0.645 CB 1.748 32 residues pruned to eliminate duplicates Z: 31 42.117 2.322 0.831 0.600 0.933 0.467 CB 1.761 31 residues pruned to eliminate duplicates Z: 83 54.285 2.329 0.604 0.603 0.939 0.671 CB 1.549 83 residues pruned to eliminate duplicates Z: 81 55.124 2.351 0.651 0.588 0.913 0.613 CB 1.600 81 residues pruned to eliminate duplicates Z: 50 44.746 2.342 0.597 0.674 0.939 0.735 CB 1.551 50 residues pruned to eliminate duplicates Z: 30 43.394 2.340 0.741 0.642 1.000 0.690 CA 1.732 30 residues pruned to eliminate duplicates Z: 23 46.418 2.424 0.761 0.760 1.000 0.773 CB 1.841 23 residues pruned to eliminate duplicates Z: 41 41.100 2.273 0.770 0.613 0.975 0.725 CB 1.488 41 residues pruned to eliminate duplicates Z: 115 64.643 2.267 0.703 0.591 0.921 0.632 CB 1.560 115 residues pruned to eliminate duplicates Z: 42 41.540 2.262 0.825 0.624 0.927 0.659 CB 1.508 42 residues pruned to eliminate duplicates Z: 80 57.339 2.355 0.639 0.618 0.937 0.671 CB 1.596 80 residues pruned to eliminate duplicates Z: 49 56.810 2.382 0.818 0.699 0.979 0.646 CB 1.612 49 residues pruned to eliminate duplicates Z: 81 58.514 2.341 0.686 0.617 0.913 0.625 CB 1.627 81 residues pruned to eliminate duplicates Z: 46 37.187 2.184 0.772 0.593 0.933 0.689 CB 1.405 46 residues pruned to eliminate duplicates Z: 42 35.906 2.252 0.773 0.576 0.878 0.610 CB 1.487 42 residues pruned to eliminate duplicates Z: 40 30.714 2.165 0.519 0.496 0.923 0.615 CB 1.626 40 residues pruned to eliminate duplicates Z: 31 39.733 2.330 0.706 0.625 0.967 0.533 CB 1.678 31 residues pruned to eliminate duplicates Z: 31 40.491 2.354 0.755 0.601 0.967 0.733 CA 1.681 31 residues pruned to eliminate duplicates Z: 33 33.525 2.237 0.641 0.545 0.906 0.469 CA 1.706 33 residues pruned to eliminate duplicates Z: 20 48.138 2.515 0.703 0.886 1.000 0.842 CB 1.861 20 residues pruned to eliminate duplicates Z: 23 46.142 2.434 0.777 0.762 1.000 0.682 CB 1.801 23 residues pruned to eliminate duplicates Z: 24 32.527 2.264 0.556 0.676 0.957 0.696 CA 1.711 24 residues pruned to eliminate duplicates Z: 30 30.357 2.327 0.480 0.576 0.931 0.724 CB 1.633 30 residues pruned to eliminate duplicates Z: 115 69.655 2.269 0.716 0.639 0.939 0.711 CB 1.567 115 residues pruned to eliminate duplicates Z: 104 62.737 2.314 0.673 0.605 0.942 0.699 CB 1.534 104 residues pruned to eliminate duplicates Z: 82 53.518 2.332 0.619 0.609 0.901 0.630 CB 1.576 82 residues pruned to eliminate duplicates Z: 126 67.778 2.256 0.725 0.612 0.928 0.648 CB 1.510 126 residues pruned to eliminate duplicates Z: 73 56.384 2.349 0.621 0.660 0.944 0.667 CB 1.592 73 residues pruned to eliminate duplicates Z: 62 45.517 2.235 0.668 0.643 0.951 0.656 CB 1.438 62 residues pruned to eliminate duplicates Z: 89 57.974 2.327 0.704 0.587 0.932 0.648 CB 1.539 89 residues pruned to eliminate duplicates Z: 29 32.479 2.332 0.572 0.623 1.000 0.714 CB 1.491 29 residues pruned to eliminate duplicates Z: 80 55.989 2.351 0.582 0.627 0.937 0.658 CB 1.604 80 residues pruned to eliminate duplicates Z: 88 54.601 2.252 0.737 0.592 0.920 0.632 CB 1.490 88 residues pruned to eliminate duplicates Z: 90 58.491 2.330 0.661 0.630 0.955 0.697 CB 1.484 90 residues pruned to eliminate duplicates Z: 140 58.935 2.209 0.648 0.569 0.892 0.633 CB 1.440 232 residues pruned to eliminate duplicates Z: 21 31.804 2.297 0.699 0.812 0.950 0.650 CB 1.461 21 residues pruned to eliminate duplicates Z: 70 48.516 2.252 0.736 0.541 0.957 0.536 CB 1.500 70 residues pruned to eliminate duplicates Z: 56 46.585 2.359 0.654 0.622 0.927 0.673 CB 1.547 56 residues pruned to eliminate duplicates Z: 51 49.234 2.354 0.674 0.698 0.940 0.720 CB 1.569 51 residues pruned to eliminate duplicates Z: 57 48.640 2.343 0.633 0.610 0.964 0.661 CB 1.587 57 residues pruned to eliminate duplicates Z: 87 55.862 2.266 0.681 0.607 0.930 0.663 CB 1.535 87 residues pruned to eliminate duplicates Z: 108 71.334 2.295 0.795 0.641 0.925 0.636 CB 1.586 108 residues pruned to eliminate duplicates Z: 68 47.153 2.297 0.697 0.603 0.955 0.701 CB 1.402 68 residues pruned to eliminate duplicates Z: 80 57.579 2.340 0.643 0.608 0.949 0.658 CB 1.601 80 residues pruned to eliminate duplicates Z: 94 57.688 2.313 0.677 0.590 0.903 0.613 CB 1.567 94 residues pruned to eliminate duplicates Z: 88 55.714 2.306 0.724 0.571 0.920 0.632 CB 1.527 88 residues pruned to eliminate duplicates Z: 74 64.226 2.373 0.735 0.660 0.973 0.712 CB 1.618 74 residues pruned to eliminate duplicates Z: 69 62.338 2.383 0.720 0.698 0.956 0.721 CB 1.611 69 residues pruned to eliminate duplicates Z: 51 51.481 2.367 0.785 0.681 0.920 0.680 CB 1.587 51 residues pruned to eliminate duplicates Z: 83 53.532 2.350 0.595 0.598 0.915 0.646 CB 1.570 83 residues pruned to eliminate duplicates Z: 51 45.600 2.363 0.717 0.626 0.920 0.660 CB 1.534 51 residues pruned to eliminate duplicates Z: 103 69.463 2.309 0.785 0.664 0.922 0.647 CB 1.556 103 residues pruned to eliminate duplicates Z: 72 55.485 2.375 0.614 0.669 0.915 0.746 CB 1.605 72 residues pruned to eliminate duplicates Z: 106 62.973 2.287 0.702 0.641 0.905 0.676 CB 1.529 106 residues pruned to eliminate duplicates Z: 70 58.557 2.365 0.719 0.669 0.942 0.725 CB 1.574 70 residues pruned to eliminate duplicates Z: 54 44.592 2.156 0.893 0.591 0.887 0.642 CB 1.551 54 residues pruned to eliminate duplicates Z: 57 47.933 2.195 0.850 0.641 0.911 0.732 CB 1.518 57 residues pruned to eliminate duplicates Z: 87 54.708 2.259 0.766 0.593 0.907 0.651 CB 1.492 87 residues pruned to eliminate duplicates Z: 25 30.408 2.304 0.703 0.636 0.917 0.667 CB 1.519 25 residues pruned to eliminate duplicates Z: 59 49.437 2.203 0.803 0.613 0.931 0.569 CB 1.578 59 residues pruned to eliminate duplicates Z: 25 33.492 2.352 0.715 0.627 0.917 0.625 CB 1.641 25 residues pruned to eliminate duplicates Z: 25 36.515 2.316 0.773 0.661 0.917 0.583 CB 1.705 25 residues pruned to eliminate duplicates Z: 57 40.725 2.315 0.715 0.568 0.875 0.554 CB 1.467 57 residues pruned to eliminate duplicates Z: 70 56.672 2.346 0.790 0.669 0.913 0.580 CB 1.523 70 residues pruned to eliminate duplicates Z: 101 72.352 2.295 0.856 0.664 0.940 0.670 CB 1.553 101 residues pruned to eliminate duplicates Z: 24 35.588 2.332 0.903 0.666 0.913 0.783 CB 1.571 24 residues pruned to eliminate duplicates Z: 100 60.592 2.313 0.807 0.535 0.909 0.576 CB 1.549 100 residues pruned to eliminate duplicates Z: 26 40.329 2.243 1.007 0.649 0.920 0.600 CA 1.695 26 residues pruned to eliminate duplicates Z: 87 55.947 2.245 0.810 0.598 0.907 0.628 CB 1.491 87 residues pruned to eliminate duplicates Z: 79 60.797 2.359 0.779 0.615 0.936 0.577 CB 1.572 79 residues pruned to eliminate duplicates Z: 27 33.366 2.235 0.908 0.606 0.846 0.731 CB 1.640 27 residues pruned to eliminate duplicates Z: 39 38.556 2.285 1.002 0.542 0.842 0.605 CB 1.558 39 residues pruned to eliminate duplicates Z: 24 36.515 2.339 0.819 0.646 0.957 0.739 CB 1.633 24 residues pruned to eliminate duplicates Z: 39 40.107 2.253 0.884 0.533 0.921 0.526 CB 1.610 39 residues pruned to eliminate duplicates Z: 96 61.457 2.316 0.800 0.569 0.916 0.674 CB 1.544 96 residues pruned to eliminate duplicates Z: 7 3.622 1.983 0.338 0.246 0.667 0.333 CA 1.121 7 residues pruned to eliminate duplicates Z: 37 35.455 2.133 0.817 0.615 0.889 0.694 CB 1.538 37 residues pruned to eliminate duplicates Z: 17 25.354 2.076 1.087 0.485 0.938 0.562 CA 1.585 17 residues pruned to eliminate duplicates Z: 36 37.943 2.292 0.960 0.477 0.886 0.571 CB 1.650 36 residues pruned to eliminate duplicates Z: 67 42.624 2.206 0.783 0.535 0.864 0.561 CB 1.493 67 residues pruned to eliminate duplicates Z: 64 48.850 2.238 0.849 0.553 0.937 0.556 CB 1.508 64 residues pruned to eliminate duplicates Z: 58 48.413 2.221 0.970 0.560 0.912 0.614 CB 1.516 58 residues pruned to eliminate duplicates Z: 40 36.014 2.092 0.874 0.614 0.872 0.641 CB 1.514 40 residues pruned to eliminate duplicates Z: 67 51.102 2.253 0.881 0.565 0.924 0.561 CB 1.508 67 residues pruned to eliminate duplicates Z: 35 37.293 2.120 0.902 0.624 0.882 0.647 CB 1.599 35 residues pruned to eliminate duplicates Z: 58 52.181 2.224 0.915 0.631 0.912 0.667 CB 1.574 58 residues pruned to eliminate duplicates Z: 36 35.143 2.090 0.939 0.625 0.857 0.743 CB 1.520 36 residues pruned to eliminate duplicates Z: 36 29.117 2.016 0.814 0.537 0.857 0.657 CB 1.514 36 residues pruned to eliminate duplicates Z: 57 49.394 2.184 0.889 0.582 0.929 0.625 CB 1.592 57 residues pruned to eliminate duplicates Z: 67 45.178 2.140 0.863 0.545 0.909 0.561 CB 1.468 67 residues pruned to eliminate duplicates Z: 37 35.900 2.088 0.926 0.611 0.861 0.611 CB 1.556 37 residues pruned to eliminate duplicates Z: 37 40.161 2.122 0.992 0.662 0.917 0.750 CB 1.487 37 residues pruned to eliminate duplicates Z: 83 54.939 2.209 0.827 0.597 0.902 0.573 CB 1.518 83 residues pruned to eliminate duplicates Z: 23 27.905 1.999 0.772 0.741 0.909 0.682 CB 1.489 23 residues pruned to eliminate duplicates Z: 21 29.349 2.061 0.938 0.769 0.950 0.700 CB 1.363 21 residues pruned to eliminate duplicates Z: 37 38.695 2.066 0.956 0.628 0.917 0.611 CB 1.543 37 residues pruned to eliminate duplicates Z: 24 27.413 1.967 0.975 0.662 0.913 0.435 CB 1.386 24 residues pruned to eliminate duplicates Z: 22 28.274 2.022 0.896 0.743 0.952 0.571 CB 1.360 22 residues pruned to eliminate duplicates Z: 34 44.184 2.092 1.151 0.704 0.909 0.636 CB 1.562 34 residues pruned to eliminate duplicates Z: 56 47.915 2.166 0.935 0.590 0.891 0.491 CB 1.587 56 residues pruned to eliminate duplicates Z: 23 27.492 1.973 0.953 0.671 0.909 0.545 CB 1.428 23 residues pruned to eliminate duplicates Z: 22 29.018 2.037 0.940 0.690 0.905 0.571 CB 1.487 22 residues pruned to eliminate duplicates Z: 37 42.389 2.073 1.132 0.642 0.917 0.667 CB 1.527 37 residues pruned to eliminate duplicates Z: 57 49.631 2.150 0.949 0.630 0.893 0.607 CB 1.569 57 residues pruned to eliminate duplicates Z: 25 25.971 2.028 0.872 0.671 0.917 0.583 CB 1.301 25 residues pruned to eliminate duplicates Z: 38 39.333 2.108 0.987 0.628 0.892 0.622 CB 1.534 38 residues pruned to eliminate duplicates Z: 39 37.709 2.112 0.904 0.620 0.895 0.605 CB 1.519 39 residues pruned to eliminate duplicates Z: 56 42.419 2.150 0.875 0.555 0.855 0.582 CB 1.573 31 residues pruned to eliminate duplicates 653 residues left after pruning, divided into chains as follows: A: 23 B: 276 C: 8 D: 17 E: 17 F: 27 G: 17 H: 13 I: 19 J: 29 K: 36 L: 171 CC for partial structure against native data = 38.36 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.493, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.678, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.691, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.705, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.712, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.719, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.722, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.725, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.726, Connect. = 0.818 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4410 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1034 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 30 20.241 2.119 0.612 0.367 0.828 0.448 CB 1.534 B: 16 44.488 2.371 1.335 0.904 0.867 0.867 CA 1.705 C: 10 24.462 2.391 0.720 0.830 1.000 0.778 CB 1.490 D: 21 49.522 2.440 0.860 0.913 0.950 0.700 CB 1.817 E: 14 38.286 2.433 0.829 0.939 1.000 1.000 CB 1.658 F: 16 46.279 2.440 1.026 0.860 1.000 0.667 CB 1.777 16 residues pruned to eliminate duplicates G: 10 23.551 2.326 0.697 0.880 1.000 0.778 CB 1.442 10 residues pruned to eliminate duplicates H: 13 19.939 2.261 1.210 0.553 0.750 0.750 CB 1.459 I: 21 48.156 2.362 0.783 0.915 1.000 0.850 CA 1.808 21 residues pruned to eliminate duplicates J: 20 41.538 2.306 0.803 0.914 1.000 0.737 CB 1.621 K: 15 36.596 2.345 0.945 0.871 0.929 0.857 CA 1.684 L: 16 35.025 2.299 0.903 0.812 1.000 0.533 CB 1.576 M: 15 27.321 2.255 0.821 0.796 0.929 0.714 CB 1.478 15 residues pruned to eliminate duplicates N: 13 26.378 2.241 0.561 0.873 1.000 0.750 CB 1.585 10 residues pruned to eliminate duplicates O: 21 38.028 2.496 0.778 0.579 0.950 0.600 CB 1.869 8 residues pruned to eliminate duplicates P: 18 23.317 2.084 0.608 0.722 0.941 0.588 CB 1.468 18 residues pruned to eliminate duplicates Q: 29 37.744 2.427 0.626 0.574 0.929 0.643 CB 1.812 R: 15 31.049 2.336 0.896 0.851 0.929 0.714 CB 1.493 15 residues pruned to eliminate duplicates S: 15 38.976 2.181 1.052 0.935 1.000 0.786 CA 1.623 15 residues pruned to eliminate duplicates T: 16 23.905 2.313 0.482 0.747 0.867 0.733 CB 1.666 16 residues pruned to eliminate duplicates U: 28 39.528 2.488 0.690 0.543 0.926 0.778 CB 1.873 29 residues pruned to eliminate duplicates V: 16 16.843 2.012 0.577 0.431 0.933 0.733 CB 1.579 W: 13 27.052 2.268 0.665 0.810 1.000 0.833 CB 1.578 13 residues pruned to eliminate duplicates X: 32 36.666 2.321 0.682 0.545 0.935 0.613 CB 1.725 30 residues pruned to eliminate duplicates Y: 23 46.446 2.455 0.728 0.904 0.909 0.682 CB 1.829 23 residues pruned to eliminate duplicates Z: 13 50.823 2.549 1.166 0.912 1.000 0.917 CA 1.882 15 residues pruned to eliminate duplicates Z: 38 52.650 2.359 0.821 0.854 0.892 0.730 CB 1.668 21 residues pruned to eliminate duplicates Z: 39 35.622 2.128 0.997 0.508 0.842 0.500 CB 1.601 14 residues pruned to eliminate duplicates Z: 15 44.167 2.440 1.011 0.871 1.000 0.857 CA 1.755 14 residues pruned to eliminate duplicates Z: 16 44.192 2.380 1.146 0.804 1.000 0.800 CB 1.713 16 residues pruned to eliminate duplicates Z: 12 35.549 2.546 0.631 0.853 1.000 0.909 CB 1.909 12 residues pruned to eliminate duplicates Z: 35 34.665 2.187 0.583 0.863 0.912 0.647 CB 1.382 20 residues pruned to eliminate duplicates Z: 101 63.517 2.258 0.833 0.583 0.910 0.530 CB 1.556 75 residues pruned to eliminate duplicates Z: 22 21.418 1.951 0.968 0.445 0.905 0.667 CB 1.424 Z: 15 45.743 2.413 1.207 0.886 0.929 0.714 CB 1.784 16 residues pruned to eliminate duplicates Z: 29 44.456 2.379 0.826 0.599 0.964 0.714 CA 1.825 19 residues pruned to eliminate duplicates Z: 16 8.128 2.018 0.365 0.194 0.733 0.600 CA 1.497 16 residues pruned to eliminate duplicates Z: 21 37.695 2.299 0.889 0.890 0.900 0.700 CB 1.551 21 residues pruned to eliminate duplicates Z: 16 29.454 2.295 0.769 0.773 0.933 0.533 CB 1.576 16 residues pruned to eliminate duplicates Z: 11 19.421 2.283 0.402 0.884 0.900 0.800 CA 1.540 11 residues pruned to eliminate duplicates Z: 13 29.286 2.355 0.816 0.841 0.833 0.583 CA 1.769 14 residues pruned to eliminate duplicates Z: 29 36.775 2.380 0.931 0.567 0.893 0.571 CB 1.586 23 residues pruned to eliminate duplicates Z: 37 48.743 2.390 0.583 0.861 0.944 0.778 CB 1.669 37 residues pruned to eliminate duplicates Z: 12 29.385 2.473 0.866 0.827 0.909 0.727 CB 1.591 12 residues pruned to eliminate duplicates Z: 15 14.265 2.150 0.742 0.360 0.857 0.357 CB 1.381 Z: 32 38.664 2.403 0.695 0.571 0.903 0.742 CA 1.763 29 residues pruned to eliminate duplicates Z: 80 41.975 2.161 0.606 0.577 0.873 0.570 CB 1.446 45 residues pruned to eliminate duplicates Z: 14 39.884 2.324 1.220 0.944 1.000 1.000 CB 1.485 14 residues pruned to eliminate duplicates Z: 14 44.664 2.386 1.189 0.906 1.000 0.923 CA 1.687 14 residues pruned to eliminate duplicates Z: 37 32.701 2.153 0.653 0.640 0.917 0.722 CB 1.465 34 residues pruned to eliminate duplicates Z: 9 9.321 1.882 0.967 0.549 0.750 0.625 CB 1.132 Z: 29 31.432 2.443 0.702 0.421 0.893 0.429 CB 1.738 13 residues pruned to eliminate duplicates Z: 20 39.146 2.256 0.822 0.906 0.947 0.684 CB 1.640 20 residues pruned to eliminate duplicates Z: 15 34.276 2.291 0.919 0.927 1.000 0.786 CB 1.461 15 residues pruned to eliminate duplicates Z: 15 32.218 2.166 1.187 0.869 0.929 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 15 45.587 2.381 1.110 0.920 1.000 0.857 CA 1.709 15 residues pruned to eliminate duplicates Z: 15 39.935 2.311 1.188 0.936 1.000 0.929 CB 1.470 15 residues pruned to eliminate duplicates Z: 16 21.026 2.174 0.817 0.489 0.933 0.600 CB 1.490 Z: 13 41.290 2.499 0.935 0.929 1.000 0.917 CA 1.725 13 residues pruned to eliminate duplicates Z: 82 55.446 2.329 0.606 0.604 0.951 0.617 CB 1.569 82 residues pruned to eliminate duplicates Z: 28 45.384 2.394 0.919 0.619 1.000 0.593 CB 1.698 28 residues pruned to eliminate duplicates Z: 19 33.363 2.507 0.824 0.479 0.944 0.611 CA 1.859 30 residues pruned to eliminate duplicates Z: 14 18.464 2.194 0.586 0.388 1.000 0.769 CB 1.658 15 residues pruned to eliminate duplicates Z: 19 41.528 2.532 0.960 0.636 0.944 0.722 CB 1.838 19 residues pruned to eliminate duplicates Z: 15 23.971 2.184 1.050 0.502 0.857 0.500 CA 1.667 15 residues pruned to eliminate duplicates Z: 14 34.253 2.391 0.772 0.855 0.923 0.846 CA 1.793 Z: 16 19.685 2.094 0.702 0.502 1.000 0.533 CB 1.423 Z: 6 11.733 1.780 0.767 0.762 1.000 0.800 CA 1.322 6 residues pruned to eliminate duplicates Z: 9 16.896 1.912 1.384 0.497 0.875 0.625 C 1.502 5 residues pruned to eliminate duplicates Z: 6 7.736 2.080 0.298 0.554 1.000 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 14 35.306 2.278 0.812 0.867 1.000 0.846 CA 1.734 Z: 22 45.997 2.391 0.700 0.918 1.000 0.714 CA 1.740 22 residues pruned to eliminate duplicates Z: 9 26.963 2.265 0.592 0.913 1.000 0.750 CA 1.871 9 residues pruned to eliminate duplicates Z: 21 48.006 2.395 0.746 0.936 1.000 0.950 CA 1.788 21 residues pruned to eliminate duplicates Z: 22 40.426 2.392 0.704 0.886 0.905 0.810 CB 1.726 22 residues pruned to eliminate duplicates Z: 23 23.016 2.257 0.722 0.472 0.773 0.545 CB 1.681 23 residues pruned to eliminate duplicates Z: 10 14.104 2.177 0.872 0.372 0.889 0.333 CB 1.489 10 residues pruned to eliminate duplicates Z: 33 36.863 2.121 0.750 0.697 0.938 0.719 CB 1.565 19 residues pruned to eliminate duplicates Z: 37 35.080 2.130 0.601 0.841 0.944 0.639 CB 1.353 37 residues pruned to eliminate duplicates Z: 21 31.757 2.377 1.015 0.459 0.900 0.600 CB 1.718 21 residues pruned to eliminate duplicates Z: 17 30.174 2.116 0.817 0.823 1.000 0.688 CA 1.482 Z: 14 24.796 2.336 0.949 0.535 0.923 0.615 CB 1.581 16 residues pruned to eliminate duplicates Z: 58 41.100 2.167 0.775 0.653 0.895 0.579 CB 1.372 58 residues pruned to eliminate duplicates Z: 14 21.525 2.239 0.489 0.795 0.846 0.615 CA 1.634 14 residues pruned to eliminate duplicates Z: 20 37.652 2.257 0.676 0.916 1.000 0.895 CB 1.613 20 residues pruned to eliminate duplicates Z: 52 40.892 2.254 0.747 0.562 0.863 0.529 CB 1.587 54 residues pruned to eliminate duplicates Z: 14 28.160 2.242 0.778 0.744 1.000 0.615 CA 1.576 14 residues pruned to eliminate duplicates Z: 24 40.716 2.474 0.940 0.454 0.957 0.522 CA 1.938 31 residues pruned to eliminate duplicates Z: 18 13.690 2.107 1.029 0.318 0.765 0.471 CB 1.241 12 residues pruned to eliminate duplicates Z: 15 28.621 2.066 0.636 0.953 1.000 0.571 CB 1.558 Z: 15 34.389 2.304 0.877 0.934 1.000 1.000 CB 1.482 15 residues pruned to eliminate duplicates Z: 15 32.233 2.239 0.790 0.833 1.000 0.643 CA 1.612 15 residues pruned to eliminate duplicates Z: 15 59.033 2.468 1.517 0.889 1.000 0.786 CA 1.829 15 residues pruned to eliminate duplicates Z: 13 28.630 2.283 1.061 0.788 0.917 0.583 CB 1.488 13 residues pruned to eliminate duplicates Z: 16 24.121 2.004 0.401 0.893 1.000 0.800 CB 1.593 16 residues pruned to eliminate duplicates Z: 17 52.382 2.338 1.325 0.846 1.000 0.812 CB 1.790 17 residues pruned to eliminate duplicates Z: 63 49.707 2.336 0.638 0.561 0.919 0.581 CB 1.692 46 residues pruned to eliminate duplicates Z: 16 42.669 2.304 1.110 0.822 1.000 0.800 CA 1.715 16 residues pruned to eliminate duplicates Z: 19 16.490 2.025 0.873 0.500 0.833 0.667 CB 1.229 19 residues pruned to eliminate duplicates Z: 11 27.751 2.436 0.876 0.844 0.800 0.700 CB 1.786 11 residues pruned to eliminate duplicates Z: 104 63.759 2.307 0.743 0.606 0.932 0.660 CB 1.515 103 residues pruned to eliminate duplicates Z: 35 39.810 2.205 0.661 0.863 0.971 0.676 CB 1.410 35 residues pruned to eliminate duplicates Z: 23 18.565 2.127 0.712 0.409 0.864 0.591 CB 1.385 39 residues pruned to eliminate duplicates Z: 14 31.759 2.317 0.758 0.826 1.000 0.769 CA 1.631 15 residues pruned to eliminate duplicates Z: 27 25.124 2.348 0.611 0.383 0.846 0.462 CB 1.744 35 residues pruned to eliminate duplicates Z: 15 40.813 2.409 0.898 0.870 1.000 0.786 CA 1.741 14 residues pruned to eliminate duplicates Z: 22 37.173 2.273 0.716 0.886 0.952 0.810 CB 1.576 21 residues pruned to eliminate duplicates Z: 113 56.938 2.198 0.703 0.541 0.893 0.545 CB 1.547 126 residues pruned to eliminate duplicates Z: 7 7.766 1.764 0.371 0.749 0.833 0.500 CB 1.259 7 residues pruned to eliminate duplicates Z: 19 34.359 2.497 0.916 0.481 0.944 0.500 CA 1.828 19 residues pruned to eliminate duplicates Z: 16 29.110 2.108 0.711 0.860 1.000 0.733 CB 1.532 16 residues pruned to eliminate duplicates Z: 21 47.181 2.420 0.837 0.904 0.950 0.650 CB 1.779 21 residues pruned to eliminate duplicates Z: 39 29.316 2.151 0.633 0.580 0.921 0.605 CB 1.362 39 residues pruned to eliminate duplicates Z: 13 41.463 2.353 1.250 0.896 0.917 0.833 CA 1.767 13 residues pruned to eliminate duplicates Z: 16 22.996 2.187 0.604 0.674 0.867 0.600 CA 1.664 16 residues pruned to eliminate duplicates Z: 9 8.057 1.849 0.464 0.470 0.750 0.500 N 1.447 Z: 17 26.180 2.029 0.618 0.926 0.938 0.750 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 29.929 2.068 0.750 0.933 1.000 0.600 CB 1.490 16 residues pruned to eliminate duplicates Z: 17 33.809 2.221 1.091 0.889 0.812 0.750 CA 1.613 17 residues pruned to eliminate duplicates Z: 19 20.478 1.961 0.749 0.807 0.889 0.667 CB 1.212 19 residues pruned to eliminate duplicates Z: 17 32.696 2.231 0.886 0.759 0.938 0.562 CA 1.646 16 residues pruned to eliminate duplicates Z: 38 47.417 2.365 0.573 0.857 0.919 0.730 CB 1.680 38 residues pruned to eliminate duplicates Z: 16 44.252 2.351 1.026 0.932 1.000 0.933 CB 1.675 16 residues pruned to eliminate duplicates Z: 25 38.160 2.449 0.742 0.491 0.958 0.417 CA 1.922 24 residues pruned to eliminate duplicates Z: 17 24.896 1.951 0.536 0.901 1.000 0.938 CB 1.482 17 residues pruned to eliminate duplicates Z: 13 26.048 2.283 0.605 0.876 1.000 0.833 CA 1.491 13 residues pruned to eliminate duplicates Z: 31 39.092 2.319 0.667 0.595 0.967 0.800 CB 1.743 31 residues pruned to eliminate duplicates Z: 6 5.325 1.764 0.336 0.739 0.800 0.400 CA 1.019 6 residues pruned to eliminate duplicates Z: 15 24.555 2.024 0.511 0.905 0.929 0.643 CB 1.644 15 residues pruned to eliminate duplicates Z: 17 31.955 2.039 0.910 0.928 1.000 0.688 CB 1.437 17 residues pruned to eliminate duplicates Z: 8 6.091 2.093 0.348 0.560 0.571 0.571 CB 1.347 9 residues pruned to eliminate duplicates Z: 16 31.961 2.121 0.901 0.944 1.000 0.467 CB 1.417 16 residues pruned to eliminate duplicates Z: 16 35.087 2.327 0.896 0.786 0.933 0.600 CA 1.710 16 residues pruned to eliminate duplicates Z: 24 34.730 2.492 0.714 0.480 0.913 0.391 CB 1.894 24 residues pruned to eliminate duplicates Z: 17 24.048 1.942 0.441 0.910 1.000 1.000 CB 1.523 17 residues pruned to eliminate duplicates Z: 15 32.010 2.147 0.999 0.845 0.929 0.786 CA 1.596 15 residues pruned to eliminate duplicates Z: 13 25.550 2.399 0.781 0.734 0.917 0.667 CA 1.526 13 residues pruned to eliminate duplicates Z: 21 23.439 2.063 0.678 0.493 0.950 0.750 CB 1.605 20 residues pruned to eliminate duplicates Z: 16 24.161 1.991 0.489 0.913 1.000 0.600 CB 1.489 16 residues pruned to eliminate duplicates Z: 35 40.928 2.366 0.733 0.626 0.882 0.706 CB 1.723 35 residues pruned to eliminate duplicates Z: 17 25.540 2.011 0.511 0.920 1.000 0.750 CB 1.479 17 residues pruned to eliminate duplicates Z: 18 26.158 2.396 0.889 0.502 0.765 0.471 CB 1.830 18 residues pruned to eliminate duplicates Z: 13 16.815 2.323 0.546 0.395 0.833 0.333 CA 1.812 13 residues pruned to eliminate duplicates Z: 12 11.933 1.718 0.641 0.510 0.909 0.636 CB 1.390 Z: 36 34.622 2.156 0.599 0.834 0.886 0.657 CB 1.437 36 residues pruned to eliminate duplicates Z: 6 4.464 1.916 0.085 0.640 0.600 0.600 CA 1.404 6 residues pruned to eliminate duplicates Z: 16 18.968 1.943 0.283 0.924 1.000 0.933 CB 1.380 16 residues pruned to eliminate duplicates Z: 12 25.054 2.357 0.444 0.880 0.909 0.727 CA 1.769 12 residues pruned to eliminate duplicates Z: 16 15.477 2.093 0.717 0.426 0.800 0.533 CB 1.501 7 residues pruned to eliminate duplicates Z: 37 41.145 2.151 0.735 0.851 0.972 0.722 CB 1.399 37 residues pruned to eliminate duplicates Z: 20 20.757 1.917 0.721 0.526 1.000 0.632 CB 1.407 Z: 97 50.441 2.137 0.767 0.578 0.917 0.510 CB 1.380 51 residues pruned to eliminate duplicates Z: 16 29.036 2.066 0.956 0.787 0.933 0.667 CA 1.545 14 residues pruned to eliminate duplicates Z: 14 12.661 1.925 0.271 0.925 1.000 0.769 CB 1.007 14 residues pruned to eliminate duplicates Z: 15 44.683 2.417 1.144 0.880 0.929 0.857 CA 1.798 15 residues pruned to eliminate duplicates Z: 13 18.821 2.002 0.988 0.555 0.917 0.667 CB 1.412 13 residues pruned to eliminate duplicates Z: 15 33.332 2.135 0.843 0.867 1.000 0.786 CA 1.656 17 residues pruned to eliminate duplicates Z: 9 16.693 1.932 0.990 0.543 0.875 0.750 CA 1.683 9 residues pruned to eliminate duplicates Z: 14 56.535 2.553 1.390 0.920 1.000 0.923 CB 1.810 14 residues pruned to eliminate duplicates Z: 34 38.805 2.268 0.885 0.559 0.939 0.727 CB 1.588 35 residues pruned to eliminate duplicates Z: 33 36.321 2.335 0.926 0.518 0.812 0.562 CB 1.725 62 residues pruned to eliminate duplicates Z: 30 35.133 2.332 0.700 0.535 0.931 0.690 CB 1.708 30 residues pruned to eliminate duplicates Z: 16 17.260 1.926 0.251 0.925 1.000 0.867 CB 1.299 16 residues pruned to eliminate duplicates Z: 10 10.577 2.004 0.202 0.730 0.889 0.444 CB 1.338 10 residues pruned to eliminate duplicates Z: 18 28.540 1.896 0.777 0.904 1.000 0.765 CB 1.464 18 residues pruned to eliminate duplicates Z: 35 35.170 2.278 0.809 0.591 0.912 0.618 CB 1.472 35 residues pruned to eliminate duplicates Z: 17 35.524 2.250 0.775 0.806 1.000 0.562 CB 1.702 17 residues pruned to eliminate duplicates Z: 35 40.149 2.201 0.621 0.866 0.971 0.824 CB 1.455 35 residues pruned to eliminate duplicates Z: 16 11.160 1.988 0.511 0.340 0.800 0.667 CB 1.426 16 residues pruned to eliminate duplicates Z: 26 23.963 2.113 0.879 0.551 0.840 0.600 CB 1.368 26 residues pruned to eliminate duplicates Z: 12 19.032 2.077 0.613 0.900 0.909 0.909 CB 1.346 Z: 40 43.695 2.252 0.474 0.853 0.974 0.769 CB 1.600 40 residues pruned to eliminate duplicates Z: 10 4.658 1.741 0.100 0.484 0.889 0.444 CB 0.928 Z: 39 49.528 2.310 0.565 0.860 0.974 0.763 CB 1.678 39 residues pruned to eliminate duplicates Z: 15 32.116 2.139 0.835 0.837 1.000 0.786 CA 1.635 14 residues pruned to eliminate duplicates Z: 54 29.257 2.117 0.513 0.579 0.887 0.528 CB 1.312 54 residues pruned to eliminate duplicates Z: 39 33.238 2.133 0.769 0.554 0.895 0.632 CB 1.515 Z: 14 27.877 2.157 0.575 0.835 1.000 0.769 CA 1.704 14 residues pruned to eliminate duplicates Z: 38 38.764 2.144 0.833 0.660 0.946 0.676 CB 1.478 38 residues pruned to eliminate duplicates Z: 20 19.183 1.935 0.603 0.544 0.947 0.684 CB 1.435 20 residues pruned to eliminate duplicates Z: 11 19.790 2.065 0.649 0.891 1.000 0.900 CB 1.321 Z: 15 29.341 2.060 0.714 0.914 1.000 0.643 CB 1.571 15 residues pruned to eliminate duplicates Z: 20 25.601 2.333 0.816 0.448 0.895 0.632 CB 1.635 20 residues pruned to eliminate duplicates Z: 7 9.144 1.793 0.400 0.673 1.000 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 37 35.652 2.265 0.669 0.598 0.861 0.667 CA 1.662 37 residues pruned to eliminate duplicates Z: 16 22.237 1.954 0.701 0.903 0.933 0.667 CB 1.319 16 residues pruned to eliminate duplicates Z: 14 33.140 2.175 0.814 0.874 1.000 0.769 CA 1.695 15 residues pruned to eliminate duplicates Z: 27 20.896 2.168 0.782 0.447 0.846 0.462 CB 1.324 8 residues pruned to eliminate duplicates Z: 15 15.853 2.012 0.531 0.522 0.857 0.571 CB 1.570 15 residues pruned to eliminate duplicates Z: 16 22.104 2.002 0.283 0.930 1.000 0.800 CB 1.554 16 residues pruned to eliminate duplicates Z: 14 47.146 2.459 0.998 0.924 1.000 1.000 CB 1.869 14 residues pruned to eliminate duplicates Z: 14 20.418 2.237 0.559 0.847 0.846 0.692 CB 1.425 14 residues pruned to eliminate duplicates Z: 14 34.802 2.272 0.825 0.836 1.000 0.846 CA 1.742 14 residues pruned to eliminate duplicates Z: 15 28.116 2.320 0.963 0.817 0.857 0.643 CB 1.462 15 residues pruned to eliminate duplicates Z: 13 18.309 1.994 0.530 0.848 0.917 0.750 CB 1.402 13 residues pruned to eliminate duplicates Z: 16 24.811 2.008 0.489 0.893 1.000 1.000 CB 1.538 16 residues pruned to eliminate duplicates Z: 40 34.910 2.357 0.803 0.455 0.872 0.436 CB 1.579 40 residues pruned to eliminate duplicates Z: 19 22.810 1.984 0.814 0.575 0.944 0.667 CB 1.472 20 residues pruned to eliminate duplicates Z: 15 33.884 2.232 0.877 0.838 1.000 0.714 CB 1.616 15 residues pruned to eliminate duplicates Z: 16 28.759 2.373 0.824 0.621 0.933 0.467 CB 1.640 16 residues pruned to eliminate duplicates Z: 82 53.460 2.220 0.857 0.546 0.901 0.543 CB 1.528 85 residues pruned to eliminate duplicates Z: 12 34.151 2.522 0.626 0.871 1.000 1.000 CA 1.832 12 residues pruned to eliminate duplicates Z: 10 31.148 2.360 0.908 0.871 1.000 0.889 CB 1.682 10 residues pruned to eliminate duplicates Z: 33 27.149 2.245 0.628 0.421 0.875 0.625 CB 1.629 33 residues pruned to eliminate duplicates Z: 20 34.897 2.266 0.851 0.897 0.895 0.737 CB 1.527 20 residues pruned to eliminate duplicates Z: 18 18.534 2.035 0.911 0.551 0.941 0.588 CB 1.168 18 residues pruned to eliminate duplicates Z: 28 28.483 2.212 0.618 0.527 0.926 0.444 CB 1.610 28 residues pruned to eliminate duplicates Z: 12 16.071 2.100 0.911 0.884 0.909 0.545 CB 0.960 12 residues pruned to eliminate duplicates Z: 12 22.927 2.260 0.504 0.836 0.909 0.727 CB 1.675 12 residues pruned to eliminate duplicates Z: 14 33.788 2.277 0.722 0.841 1.000 0.692 CA 1.782 14 residues pruned to eliminate duplicates Z: 16 30.167 2.302 0.880 0.748 0.867 0.267 CB 1.664 16 residues pruned to eliminate duplicates Z: 17 23.514 1.967 0.420 0.904 1.000 0.938 CB 1.499 17 residues pruned to eliminate duplicates Z: 11 22.626 2.093 0.915 0.864 0.900 0.600 CB 1.454 11 residues pruned to eliminate duplicates Z: 17 23.656 1.891 0.754 0.915 1.000 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 18 36.279 2.245 1.094 0.829 0.941 0.765 CB 1.496 18 residues pruned to eliminate duplicates Z: 17 22.901 2.066 0.618 0.924 0.938 0.438 CB 1.284 17 residues pruned to eliminate duplicates Z: 14 33.804 2.346 0.805 0.827 1.000 0.769 CB 1.669 14 residues pruned to eliminate duplicates Z: 22 29.272 2.364 0.609 0.568 0.857 0.667 CB 1.835 22 residues pruned to eliminate duplicates Z: 38 40.832 2.285 0.819 0.608 0.919 0.649 CB 1.586 38 residues pruned to eliminate duplicates Z: 28 32.747 2.105 0.789 0.660 0.926 0.704 CB 1.558 28 residues pruned to eliminate duplicates Z: 20 43.971 2.294 0.906 0.932 1.000 0.737 CB 1.611 20 residues pruned to eliminate duplicates Z: 38 30.156 1.998 0.813 0.567 0.865 0.595 CB 1.482 38 residues pruned to eliminate duplicates Z: 18 24.053 1.987 0.364 0.936 1.000 1.000 CB 1.499 18 residues pruned to eliminate duplicates Z: 39 30.703 2.153 0.660 0.626 0.868 0.737 CB 1.424 39 residues pruned to eliminate duplicates Z: 24 46.079 2.402 0.979 0.660 0.957 0.696 CB 1.821 24 residues pruned to eliminate duplicates Z: 18 23.391 2.212 0.522 0.841 0.941 0.765 CB 1.335 18 residues pruned to eliminate duplicates Z: 6 9.245 1.777 0.664 0.749 1.000 0.400 CA 1.119 6 residues pruned to eliminate duplicates Z: 10 16.122 2.035 0.400 0.873 1.000 1.000 CB 1.374 11 residues pruned to eliminate duplicates Z: 25 38.181 2.363 0.765 0.593 0.958 0.667 CA 1.785 25 residues pruned to eliminate duplicates Z: 8 3.588 1.764 0.374 0.361 0.714 0.571 CB 0.909 8 residues pruned to eliminate duplicates Z: 33 27.599 2.050 0.808 0.589 0.906 0.500 CB 1.334 22 residues pruned to eliminate duplicates Z: 15 21.701 2.187 0.477 0.829 0.857 0.643 CA 1.577 15 residues pruned to eliminate duplicates Z: 11 21.963 2.035 1.069 0.826 0.900 0.800 CB 1.382 11 residues pruned to eliminate duplicates Z: 133 58.679 2.203 0.684 0.562 0.879 0.614 CB 1.475 133 residues pruned to eliminate duplicates Z: 15 28.341 2.288 0.580 0.925 1.000 0.857 CB 1.471 15 residues pruned to eliminate duplicates Z: 15 24.357 2.075 0.423 0.913 1.000 0.643 CB 1.560 15 residues pruned to eliminate duplicates Z: 37 42.628 2.271 0.701 0.859 0.861 0.583 CB 1.572 37 residues pruned to eliminate duplicates Z: 13 15.332 2.149 0.725 0.523 0.917 0.583 CB 1.273 13 residues pruned to eliminate duplicates Z: 15 7.917 1.766 0.523 0.335 0.786 0.357 CB 1.198 15 residues pruned to eliminate duplicates Z: 15 16.608 2.217 0.466 0.529 0.929 0.571 CB 1.429 15 residues pruned to eliminate duplicates Z: 29 39.694 2.363 0.673 0.623 0.964 0.643 CB 1.752 29 residues pruned to eliminate duplicates Z: 24 39.681 2.429 0.924 0.570 0.957 0.609 CB 1.730 24 residues pruned to eliminate duplicates Z: 17 16.872 2.060 0.531 0.490 0.875 0.625 CA 1.545 14 residues pruned to eliminate duplicates Z: 21 40.459 2.227 0.775 0.932 1.000 0.800 CB 1.599 21 residues pruned to eliminate duplicates Z: 37 39.668 2.287 0.852 0.577 0.917 0.639 CB 1.580 37 residues pruned to eliminate duplicates Z: 38 52.778 2.366 0.818 0.862 0.919 0.730 CB 1.612 38 residues pruned to eliminate duplicates Z: 90 57.410 2.189 0.810 0.571 0.955 0.640 CB 1.502 100 residues pruned to eliminate duplicates Z: 15 32.247 2.292 0.604 0.914 0.929 0.929 CA 1.785 15 residues pruned to eliminate duplicates Z: 6 5.755 1.825 0.567 0.620 0.800 0.800 CB 1.005 6 residues pruned to eliminate duplicates Z: 16 31.017 2.201 0.862 0.837 1.000 0.733 CA 1.463 16 residues pruned to eliminate duplicates Z: 22 43.952 2.204 1.108 0.895 0.905 0.667 CB 1.636 22 residues pruned to eliminate duplicates Z: 14 33.473 2.471 0.908 0.693 0.923 0.615 CB 1.788 14 residues pruned to eliminate duplicates Z: 23 24.054 2.215 0.676 0.780 0.773 0.682 CB 1.396 23 residues pruned to eliminate duplicates Z: 18 32.939 2.262 0.835 0.814 0.941 0.706 CB 1.557 18 residues pruned to eliminate duplicates Z: 10 13.174 2.085 0.562 0.336 0.889 0.444 CB 1.815 10 residues pruned to eliminate duplicates Z: 38 50.314 2.313 0.619 0.864 0.973 0.730 CB 1.665 38 residues pruned to eliminate duplicates Z: 17 26.258 2.167 0.927 0.838 0.875 0.438 CB 1.342 17 residues pruned to eliminate duplicates Z: 18 24.066 1.869 0.632 0.916 0.941 0.529 CB 1.436 16 residues pruned to eliminate duplicates Z: 6 2.309 1.802 -0.050 0.277 0.600 0.600 CB 1.295 6 residues pruned to eliminate duplicates Z: 11 16.569 1.825 0.984 0.670 0.900 0.800 CB 1.374 Z: 13 5.445 1.778 0.366 0.422 0.667 0.417 CB 1.052 Z: 31 42.110 2.256 0.856 0.637 1.000 0.767 CB 1.615 28 residues pruned to eliminate duplicates Z: 15 21.542 2.103 0.298 0.910 1.000 0.857 CB 1.497 15 residues pruned to eliminate duplicates Z: 6 9.274 1.906 0.754 0.657 0.800 0.600 CA 1.340 6 residues pruned to eliminate duplicates Z: 6 4.192 1.810 -0.259 0.435 1.000 0.400 C 1.496 Z: 20 38.627 2.296 0.714 0.902 1.000 0.842 CB 1.606 20 residues pruned to eliminate duplicates Z: 12 23.176 2.009 1.028 0.874 0.818 0.818 CB 1.525 12 residues pruned to eliminate duplicates Z: 95 60.401 2.301 0.767 0.555 0.915 0.628 CB 1.588 95 residues pruned to eliminate duplicates Z: 16 28.712 2.008 0.710 0.920 1.000 0.933 CB 1.520 16 residues pruned to eliminate duplicates Z: 30 33.832 2.343 0.794 0.509 0.966 0.621 CB 1.534 30 residues pruned to eliminate duplicates Z: 16 29.157 2.237 0.839 0.809 0.933 0.733 CA 1.498 16 residues pruned to eliminate duplicates Z: 27 32.698 2.267 0.735 0.624 0.923 0.731 CB 1.571 27 residues pruned to eliminate duplicates Z: 9 13.014 2.016 0.573 0.785 0.875 0.500 CB 1.290 9 residues pruned to eliminate duplicates Z: 17 24.705 2.003 0.516 0.898 0.938 0.875 CB 1.553 17 residues pruned to eliminate duplicates Z: 20 26.269 2.230 0.518 0.836 0.947 0.789 CB 1.406 20 residues pruned to eliminate duplicates Z: 20 20.285 1.890 0.715 0.567 1.000 0.684 CB 1.346 20 residues pruned to eliminate duplicates Z: 13 19.321 1.967 0.888 0.891 0.917 0.750 CB 1.177 13 residues pruned to eliminate duplicates Z: 30 33.048 2.213 0.611 0.650 0.966 0.586 CB 1.551 30 residues pruned to eliminate duplicates Z: 17 29.942 1.930 0.983 0.930 0.938 0.625 CB 1.459 17 residues pruned to eliminate duplicates Z: 16 13.769 2.129 0.648 0.526 0.800 0.667 CB 1.235 16 residues pruned to eliminate duplicates Z: 44 38.186 2.267 0.762 0.626 0.884 0.605 CB 1.466 44 residues pruned to eliminate duplicates Z: 13 26.494 2.339 0.581 0.844 0.917 0.917 CA 1.679 13 residues pruned to eliminate duplicates Z: 17 25.063 1.933 0.704 0.937 0.938 0.812 CB 1.412 17 residues pruned to eliminate duplicates Z: 37 32.940 2.285 0.544 0.586 0.861 0.667 CB 1.663 37 residues pruned to eliminate duplicates Z: 17 27.995 2.210 0.706 0.806 0.875 0.562 CA 1.625 17 residues pruned to eliminate duplicates Z: 124 52.948 2.147 0.676 0.572 0.870 0.634 CB 1.422 124 residues pruned to eliminate duplicates Z: 16 24.909 2.127 0.540 0.825 0.933 0.867 CA 1.588 16 residues pruned to eliminate duplicates Z: 32 29.095 2.068 0.707 0.660 1.000 0.710 CB 1.276 24 residues pruned to eliminate duplicates Z: 9 7.347 1.806 0.506 0.535 0.625 0.375 O 1.477 9 residues pruned to eliminate duplicates Z: 16 17.764 2.114 0.649 0.423 0.867 0.533 CB 1.646 6 residues pruned to eliminate duplicates Z: 6 5.897 1.583 0.416 0.688 1.000 0.600 CA 0.991 Z: 16 19.126 1.915 0.400 0.923 1.000 1.000 CB 1.295 16 residues pruned to eliminate duplicates Z: 14 12.556 1.963 0.612 0.411 0.923 0.615 CB 1.308 Z: 29 22.851 1.949 0.494 0.618 0.929 0.679 CB 1.428 29 residues pruned to eliminate duplicates Z: 6 3.057 1.879 0.204 0.486 0.600 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 29 43.126 2.378 0.928 0.626 1.000 0.750 CB 1.578 29 residues pruned to eliminate duplicates Z: 14 17.462 1.838 0.956 0.883 0.923 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 17 25.058 1.946 0.765 0.911 0.875 0.562 CB 1.477 17 residues pruned to eliminate duplicates Z: 17 31.496 2.064 0.769 0.926 1.000 0.875 CB 1.512 17 residues pruned to eliminate duplicates Z: 17 19.139 2.047 0.727 0.455 0.938 0.625 CA 1.511 Z: 14 27.041 2.280 0.585 0.839 0.923 0.846 CA 1.678 14 residues pruned to eliminate duplicates Z: 46 22.666 1.863 0.819 0.512 0.867 0.533 CB 1.137 32 residues pruned to eliminate duplicates Z: 23 40.280 2.434 0.695 0.879 0.864 0.455 CB 1.748 23 residues pruned to eliminate duplicates Z: 16 18.051 2.245 0.655 0.330 0.867 0.600 CB 1.745 16 residues pruned to eliminate duplicates Z: 7 10.138 1.778 0.506 0.829 1.000 0.333 CB 1.163 7 residues pruned to eliminate duplicates Z: 37 35.467 2.131 0.646 0.862 0.917 0.639 CB 1.350 37 residues pruned to eliminate duplicates Z: 16 8.333 1.955 0.473 0.212 0.733 0.267 CB 1.430 16 residues pruned to eliminate duplicates Z: 15 14.732 2.225 0.939 0.389 0.786 0.429 CB 1.306 15 residues pruned to eliminate duplicates Z: 15 20.274 2.084 0.806 0.525 0.929 0.786 CA 1.513 15 residues pruned to eliminate duplicates Z: 8 4.671 1.829 0.174 0.212 0.714 0.571 CA 1.616 8 residues pruned to eliminate duplicates Z: 8 12.609 2.022 0.435 0.676 1.000 0.571 CB 1.397 8 residues pruned to eliminate duplicates Z: 17 26.955 2.124 0.568 0.945 1.000 1.000 CB 1.400 17 residues pruned to eliminate duplicates Z: 23 23.171 1.877 0.800 0.728 0.955 0.500 CB 1.247 23 residues pruned to eliminate duplicates Z: 15 26.255 2.211 0.490 0.835 1.000 0.857 CB 1.596 15 residues pruned to eliminate duplicates Z: 30 25.275 1.920 0.620 0.670 0.966 0.759 CB 1.335 46 residues pruned to eliminate duplicates Z: 18 19.220 2.169 0.669 0.509 0.882 0.647 CB 1.447 Z: 16 20.763 1.940 0.820 0.879 0.867 0.800 CB 1.270 16 residues pruned to eliminate duplicates Z: 67 46.746 2.246 0.830 0.524 0.894 0.530 CB 1.530 67 residues pruned to eliminate duplicates Z: 15 18.952 2.128 0.773 0.508 0.929 0.714 CB 1.435 15 residues pruned to eliminate duplicates Z: 17 22.380 1.944 0.426 0.925 1.000 0.750 CB 1.417 17 residues pruned to eliminate duplicates Z: 94 58.473 2.313 0.662 0.584 0.925 0.613 CB 1.574 94 residues pruned to eliminate duplicates Z: 16 21.443 1.979 0.558 0.884 0.933 0.533 CB 1.390 16 residues pruned to eliminate duplicates Z: 17 30.729 1.976 0.815 0.923 1.000 0.875 CB 1.505 17 residues pruned to eliminate duplicates Z: 22 45.208 2.320 0.704 0.883 1.000 0.810 CB 1.805 22 residues pruned to eliminate duplicates Z: 26 16.521 1.803 0.753 0.491 0.880 0.640 CB 1.198 26 residues pruned to eliminate duplicates Z: 66 44.131 2.163 0.626 0.625 0.938 0.631 CB 1.475 66 residues pruned to eliminate duplicates Z: 7 9.048 1.786 0.420 0.844 1.000 0.333 CB 1.084 7 residues pruned to eliminate duplicates Z: 14 20.117 2.143 1.037 0.425 0.846 0.385 CB 1.633 14 residues pruned to eliminate duplicates Z: 16 30.865 2.211 0.833 0.805 1.000 0.667 CB 1.507 16 residues pruned to eliminate duplicates Z: 21 35.356 2.343 0.960 0.507 0.950 0.650 CB 1.799 21 residues pruned to eliminate duplicates Z: 7 3.987 1.657 0.621 0.550 0.667 0.500 CB 0.865 7 residues pruned to eliminate duplicates Z: 8 5.600 2.054 0.390 0.231 0.714 0.286 CB 1.420 8 residues pruned to eliminate duplicates Z: 53 47.407 2.276 0.768 0.620 0.962 0.635 CB 1.517 53 residues pruned to eliminate duplicates Z: 7 8.744 1.762 0.900 0.853 0.833 0.667 CB 0.945 7 residues pruned to eliminate duplicates Z: 13 38.287 2.280 1.045 0.839 1.000 0.833 CB 1.770 13 residues pruned to eliminate duplicates Z: 27 15.937 2.139 0.703 0.330 0.808 0.423 CB 1.279 27 residues pruned to eliminate duplicates Z: 44 33.818 2.121 0.528 0.725 0.907 0.674 CB 1.432 44 residues pruned to eliminate duplicates Z: 39 33.559 2.239 0.676 0.569 0.868 0.579 CB 1.563 39 residues pruned to eliminate duplicates Z: 25 19.860 1.916 0.569 0.705 0.833 0.625 CB 1.343 25 residues pruned to eliminate duplicates Z: 24 21.844 2.151 0.706 0.442 0.870 0.522 CB 1.516 24 residues pruned to eliminate duplicates Z: 9 4.042 1.573 0.112 0.485 0.750 0.250 CB 1.105 Z: 112 55.326 2.157 0.730 0.552 0.910 0.622 CB 1.470 111 residues pruned to eliminate duplicates Z: 18 16.033 1.970 0.249 0.568 0.941 0.765 CB 1.572 18 residues pruned to eliminate duplicates Z: 8 6.098 1.647 -0.097 0.666 1.000 1.000 CB 1.329 Z: 10 6.501 1.942 0.490 0.332 0.667 0.444 CA 1.350 10 residues pruned to eliminate duplicates Z: 7 8.569 1.947 0.499 0.512 0.833 0.667 O 1.422 7 residues pruned to eliminate duplicates Z: 51 25.281 1.898 0.532 0.528 0.920 0.620 CB 1.300 51 residues pruned to eliminate duplicates Z: 29 22.734 2.090 0.721 0.548 0.857 0.607 CB 1.330 29 residues pruned to eliminate duplicates Z: 17 12.626 1.903 0.193 0.795 0.938 0.688 CB 1.146 17 residues pruned to eliminate duplicates Z: 28 17.689 1.988 0.795 0.400 0.704 0.519 CB 1.507 28 residues pruned to eliminate duplicates Z: 12 5.388 1.849 0.052 0.496 0.909 0.273 CB 0.922 8 residues pruned to eliminate duplicates Z: 30 33.042 2.403 0.781 0.470 0.862 0.517 CB 1.716 30 residues pruned to eliminate duplicates Z: 17 27.696 1.974 0.582 0.931 1.000 0.875 CB 1.550 17 residues pruned to eliminate duplicates Z: 10 10.621 1.786 0.406 0.743 1.000 0.556 CB 1.135 10 residues pruned to eliminate duplicates Z: 54 39.819 2.191 0.801 0.578 0.868 0.547 CB 1.481 54 residues pruned to eliminate duplicates Z: 30 34.106 2.129 0.763 0.697 0.931 0.862 CB 1.514 30 residues pruned to eliminate duplicates Z: 18 31.620 2.066 0.698 0.935 1.000 0.882 CA 1.524 18 residues pruned to eliminate duplicates Z: 15 20.946 2.019 0.500 0.934 0.929 0.571 CB 1.388 15 residues pruned to eliminate duplicates Z: 17 16.155 2.003 0.622 0.537 0.938 0.500 CB 1.278 17 residues pruned to eliminate duplicates Z: 39 50.246 2.309 0.645 0.872 0.947 0.789 CB 1.651 39 residues pruned to eliminate duplicates Z: 14 42.192 2.411 0.950 0.903 1.000 0.846 CA 1.775 14 residues pruned to eliminate duplicates Z: 17 25.603 1.980 0.715 0.868 0.938 0.812 CB 1.470 17 residues pruned to eliminate duplicates Z: 17 22.157 1.940 0.394 0.903 1.000 0.812 CB 1.460 17 residues pruned to eliminate duplicates Z: 6 8.099 1.870 0.150 0.768 1.000 0.400 CA 1.329 6 residues pruned to eliminate duplicates Z: 46 43.749 2.203 0.840 0.645 0.933 0.556 CB 1.506 46 residues pruned to eliminate duplicates Z: 15 15.319 2.042 0.709 0.382 0.857 0.643 CB 1.552 15 residues pruned to eliminate duplicates Z: 20 29.116 2.454 0.649 0.455 0.947 0.474 CA 1.825 20 residues pruned to eliminate duplicates Z: 26 18.889 2.013 0.558 0.363 0.960 0.600 CB 1.454 22 residues pruned to eliminate duplicates Z: 13 11.199 2.177 0.493 0.351 0.833 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 16 32.041 1.995 0.950 0.916 1.000 0.667 CB 1.502 16 residues pruned to eliminate duplicates Z: 7 9.233 1.762 0.267 0.881 1.000 0.667 CB 1.223 7 residues pruned to eliminate duplicates Z: 25 35.366 2.431 0.891 0.471 0.875 0.500 CB 1.848 25 residues pruned to eliminate duplicates Z: 14 40.200 2.427 0.919 0.927 1.000 0.923 CB 1.678 14 residues pruned to eliminate duplicates Z: 7 7.304 1.733 0.197 0.898 1.000 0.667 CB 1.028 7 residues pruned to eliminate duplicates Z: 38 51.677 2.325 0.734 0.862 0.946 0.649 CB 1.636 38 residues pruned to eliminate duplicates Z: 11 19.754 2.052 0.417 0.898 1.000 0.900 CA 1.537 11 residues pruned to eliminate duplicates Z: 65 45.660 2.218 0.831 0.554 0.922 0.516 CB 1.446 65 residues pruned to eliminate duplicates Z: 15 14.249 1.865 0.308 0.935 1.000 0.929 CB 1.088 Z: 9 6.432 1.755 0.100 0.563 0.750 0.625 CB 1.477 9 residues pruned to eliminate duplicates Z: 13 20.410 1.932 0.760 0.891 0.917 0.750 CA 1.359 13 residues pruned to eliminate duplicates Z: 7 7.241 2.144 0.148 0.326 0.833 0.500 CA 1.745 7 residues pruned to eliminate duplicates Z: 86 65.739 2.364 0.761 0.628 0.929 0.706 CB 1.633 86 residues pruned to eliminate duplicates Z: 15 41.569 2.459 0.795 0.866 1.000 0.857 CA 1.842 15 residues pruned to eliminate duplicates Z: 16 29.643 2.229 1.019 0.857 0.933 0.733 CB 1.343 16 residues pruned to eliminate duplicates Z: 35 35.714 2.194 0.569 0.849 0.941 0.765 CB 1.401 35 residues pruned to eliminate duplicates Z: 59 44.674 2.146 0.733 0.634 0.948 0.655 CB 1.467 59 residues pruned to eliminate duplicates Z: 24 25.930 2.003 0.595 0.724 0.957 0.696 CB 1.445 24 residues pruned to eliminate duplicates Z: 46 32.229 2.080 0.709 0.562 0.933 0.644 CB 1.364 31 residues pruned to eliminate duplicates Z: 36 36.486 2.155 0.641 0.846 0.971 0.743 CB 1.334 36 residues pruned to eliminate duplicates Z: 41 36.040 2.250 0.709 0.506 0.925 0.650 CB 1.593 41 residues pruned to eliminate duplicates Z: 15 20.394 2.206 1.040 0.602 0.857 0.786 CB 1.282 15 residues pruned to eliminate duplicates Z: 15 23.201 2.206 0.365 0.887 0.929 0.929 CB 1.599 15 residues pruned to eliminate duplicates Z: 16 9.506 1.768 0.448 0.465 0.933 0.600 CB 1.064 14 residues pruned to eliminate duplicates Z: 17 27.563 2.161 0.782 0.787 0.938 0.750 CA 1.483 17 residues pruned to eliminate duplicates Z: 33 28.547 2.062 0.813 0.656 0.906 0.625 CB 1.289 33 residues pruned to eliminate duplicates Z: 18 31.732 2.364 0.805 0.794 0.824 0.529 CA 1.693 18 residues pruned to eliminate duplicates Z: 28 30.101 2.269 0.887 0.482 0.889 0.630 CB 1.550 28 residues pruned to eliminate duplicates Z: 32 31.257 2.051 0.815 0.631 0.903 0.710 CB 1.477 32 residues pruned to eliminate duplicates Z: 14 18.559 1.812 0.646 0.895 1.000 0.538 CB 1.237 14 residues pruned to eliminate duplicates Z: 17 29.147 1.968 0.800 0.894 1.000 0.750 CB 1.476 17 residues pruned to eliminate duplicates Z: 16 26.530 2.216 0.890 0.754 0.867 0.267 CB 1.505 16 residues pruned to eliminate duplicates Z: 25 18.690 1.869 0.709 0.567 0.917 0.708 CB 1.222 25 residues pruned to eliminate duplicates Z: 14 22.856 1.830 0.905 0.903 1.000 0.769 CA 1.295 14 residues pruned to eliminate duplicates Z: 33 31.280 2.337 0.884 0.418 0.812 0.500 CB 1.684 33 residues pruned to eliminate duplicates Z: 9 4.025 1.414 0.107 0.418 1.000 0.375 N 0.990 Z: 15 25.803 2.075 0.610 0.922 0.929 0.714 CB 1.563 15 residues pruned to eliminate duplicates Z: 13 13.329 2.048 0.547 0.456 0.917 0.750 CA 1.385 13 residues pruned to eliminate duplicates Z: 21 34.566 2.221 0.716 0.892 0.950 0.750 CB 1.533 21 residues pruned to eliminate duplicates Z: 9 2.392 1.370 0.005 0.446 0.875 0.500 CB 0.742 Z: 25 37.561 2.291 0.727 0.861 0.917 0.667 CB 1.554 25 residues pruned to eliminate duplicates Z: 15 29.652 2.277 0.704 0.916 1.000 0.857 CB 1.442 15 residues pruned to eliminate duplicates Z: 8 3.533 1.522 0.487 0.354 0.571 0.571 N 1.210 Z: 9 28.078 2.496 0.606 0.913 1.000 0.875 CB 1.753 9 residues pruned to eliminate duplicates Z: 12 15.508 1.998 0.948 0.648 0.818 0.727 CB 1.279 Z: 7 12.743 1.858 0.585 0.827 1.000 0.667 CA 1.331 7 residues pruned to eliminate duplicates Z: 14 27.363 2.262 0.537 0.918 1.000 0.846 CB 1.540 14 residues pruned to eliminate duplicates Z: 39 30.602 2.151 0.699 0.617 0.895 0.763 CB 1.359 39 residues pruned to eliminate duplicates Z: 17 26.136 1.948 0.617 0.905 1.000 0.750 CB 1.477 17 residues pruned to eliminate duplicates Z: 17 29.536 1.992 0.802 0.905 1.000 0.812 CB 1.465 17 residues pruned to eliminate duplicates Z: 21 39.191 2.316 0.742 0.887 0.950 0.850 CA 1.648 21 residues pruned to eliminate duplicates Z: 11 4.794 1.714 -0.142 0.528 0.800 0.600 CB 1.254 Z: 21 35.178 2.177 0.666 0.904 1.000 0.850 CB 1.544 21 residues pruned to eliminate duplicates Z: 6 13.928 2.100 0.408 0.703 1.000 0.800 CA 1.751 6 residues pruned to eliminate duplicates Z: 16 21.084 2.267 0.585 0.484 0.867 0.467 CB 1.776 16 residues pruned to eliminate duplicates Z: 14 16.487 1.947 0.676 0.861 1.000 0.846 CB 1.030 14 residues pruned to eliminate duplicates Z: 17 18.147 1.925 0.905 0.504 0.875 0.500 CB 1.408 10 residues pruned to eliminate duplicates Z: 17 30.180 1.988 0.766 0.917 1.000 0.812 CB 1.516 17 residues pruned to eliminate duplicates Z: 8 5.608 1.967 -0.140 0.460 0.857 0.571 CA 1.522 8 residues pruned to eliminate duplicates Z: 49 38.773 2.234 0.716 0.483 0.896 0.625 CB 1.659 49 residues pruned to eliminate duplicates Z: 16 24.612 1.962 0.636 0.910 1.000 0.667 CB 1.404 16 residues pruned to eliminate duplicates Z: 12 22.467 2.057 0.641 0.896 1.000 1.000 CB 1.438 12 residues pruned to eliminate duplicates Z: 22 20.667 1.905 0.812 0.595 0.905 0.714 CB 1.318 22 residues pruned to eliminate duplicates Z: 17 30.013 1.965 0.968 0.928 0.938 0.750 CB 1.449 17 residues pruned to eliminate duplicates Z: 37 27.113 1.964 0.727 0.570 0.889 0.556 CB 1.401 37 residues pruned to eliminate duplicates Z: 15 31.244 2.153 0.875 0.844 1.000 0.786 CB 1.540 15 residues pruned to eliminate duplicates Z: 20 20.223 1.957 0.824 0.517 0.947 0.526 CB 1.349 26 residues pruned to eliminate duplicates Z: 17 14.099 2.006 0.627 0.389 0.875 0.688 CB 1.389 17 residues pruned to eliminate duplicates Z: 6 3.781 1.490 0.467 0.299 1.000 0.800 CB 0.968 Z: 10 11.099 1.781 0.328 0.781 1.000 0.444 CB 1.221 10 residues pruned to eliminate duplicates Z: 31 32.051 2.173 0.743 0.651 0.867 0.667 CB 1.548 31 residues pruned to eliminate duplicates Z: 15 43.062 2.389 1.172 0.874 0.929 0.714 CA 1.739 15 residues pruned to eliminate duplicates Z: 20 26.378 2.341 0.827 0.453 0.842 0.474 CB 1.763 20 residues pruned to eliminate duplicates Z: 21 50.612 2.424 0.916 0.898 0.950 0.900 CA 1.835 21 residues pruned to eliminate duplicates Z: 9 9.595 1.800 0.150 0.802 1.000 0.625 CB 1.259 9 residues pruned to eliminate duplicates Z: 12 13.723 1.898 0.738 0.606 0.909 0.636 CB 1.247 Z: 7 6.109 1.933 0.417 0.333 0.833 0.333 CB 1.312 7 residues pruned to eliminate duplicates Z: 8 41.276 2.564 1.399 0.908 1.000 1.000 CA 1.801 8 residues pruned to eliminate duplicates Z: 10 17.351 1.901 0.983 0.720 1.000 0.778 CB 1.257 10 residues pruned to eliminate duplicates Z: 25 18.349 1.819 0.824 0.579 0.875 0.750 CB 1.195 25 residues pruned to eliminate duplicates Z: 17 31.781 2.115 0.698 0.935 1.000 0.938 CB 1.541 17 residues pruned to eliminate duplicates Z: 27 20.630 2.204 0.660 0.418 0.885 0.462 CB 1.361 27 residues pruned to eliminate duplicates Z: 14 34.863 2.288 1.038 0.822 1.000 0.769 CA 1.568 14 residues pruned to eliminate duplicates Z: 11 9.483 1.869 0.480 0.446 0.800 0.700 CB 1.433 11 residues pruned to eliminate duplicates Z: 17 32.796 2.276 0.902 0.631 0.938 0.750 CB 1.787 17 residues pruned to eliminate duplicates Z: 15 21.546 2.011 0.915 0.734 0.929 0.429 CB 1.305 15 residues pruned to eliminate duplicates Z: 31 43.118 2.323 0.832 0.606 0.933 0.733 CB 1.791 31 residues pruned to eliminate duplicates Z: 12 5.313 1.754 0.054 0.536 0.909 0.455 CB 0.920 Z: 37 37.802 2.180 0.834 0.569 0.972 0.694 CB 1.516 37 residues pruned to eliminate duplicates Z: 11 13.221 1.770 0.693 0.832 0.900 0.500 CB 1.164 11 residues pruned to eliminate duplicates Z: 17 11.264 1.997 0.699 0.392 0.875 0.562 CB 1.064 17 residues pruned to eliminate duplicates Z: 12 24.404 2.010 1.061 0.899 0.909 0.727 CB 1.397 12 residues pruned to eliminate duplicates Z: 28 26.206 2.054 0.710 0.665 0.926 0.556 CB 1.331 28 residues pruned to eliminate duplicates Z: 56 36.095 2.082 0.712 0.574 0.891 0.564 CB 1.427 56 residues pruned to eliminate duplicates Z: 6 2.098 1.403 0.296 0.734 1.000 0.600 CA 0.418 6 residues pruned to eliminate duplicates Z: 8 7.437 1.980 0.252 0.405 0.857 0.571 CB 1.462 8 residues pruned to eliminate duplicates Z: 38 52.022 2.354 0.655 0.876 0.973 0.649 CB 1.639 38 residues pruned to eliminate duplicates Z: 30 36.821 2.249 0.877 0.561 0.966 0.724 CB 1.581 30 residues pruned to eliminate duplicates Z: 17 35.465 2.428 0.703 0.657 1.000 0.688 CA 1.853 17 residues pruned to eliminate duplicates Z: 12 16.886 1.978 1.090 0.559 0.818 0.727 CB 1.422 12 residues pruned to eliminate duplicates 6 1.572 1.856 -0.095 0.286 0.600 0.400 CB 0.888 ? Z: 28 32.562 2.319 0.852 0.519 0.889 0.667 CB 1.611 34 residues pruned to eliminate duplicates Z: 17 13.930 2.109 0.557 0.400 0.812 0.375 CB 1.451 17 residues pruned to eliminate duplicates Z: 115 59.316 2.246 0.715 0.605 0.930 0.632 CB 1.405 115 residues pruned to eliminate duplicates Z: 16 14.314 1.834 0.257 0.925 1.000 1.000 CB 1.126 15 residues pruned to eliminate duplicates Z: 75 47.976 2.227 0.671 0.551 0.905 0.608 CB 1.576 75 residues pruned to eliminate duplicates Z: 7 13.259 2.044 0.457 0.618 1.000 0.833 CA 1.627 7 residues pruned to eliminate duplicates Z: 66 41.966 2.119 0.804 0.526 0.892 0.523 CB 1.487 93 residues pruned to eliminate duplicates Z: 8 4.296 1.757 -0.138 0.581 1.000 1.000 CB 0.993 Z: 27 30.436 2.357 0.687 0.498 0.846 0.538 CB 1.777 27 residues pruned to eliminate duplicates Z: 23 29.089 2.244 0.774 0.543 0.818 0.636 CB 1.825 23 residues pruned to eliminate duplicates Z: 73 45.442 2.286 0.589 0.591 0.944 0.667 CB 1.430 73 residues pruned to eliminate duplicates Z: 20 39.533 2.289 0.798 0.919 1.000 0.737 CB 1.553 20 residues pruned to eliminate duplicates Z: 16 18.864 1.952 0.616 0.795 0.867 0.467 CA 1.375 16 residues pruned to eliminate duplicates Z: 41 45.589 2.395 0.940 0.503 0.925 0.500 CB 1.672 41 residues pruned to eliminate duplicates Z: 81 46.012 2.140 0.820 0.558 0.925 0.550 CB 1.349 85 residues pruned to eliminate duplicates Z: 9 10.757 2.164 0.656 0.547 0.625 0.250 CA 1.621 9 residues pruned to eliminate duplicates Z: 13 32.097 2.221 0.968 0.823 0.917 0.750 CA 1.747 13 residues pruned to eliminate duplicates Z: 47 34.413 2.220 0.617 0.537 0.913 0.543 CB 1.493 47 residues pruned to eliminate duplicates Z: 9 14.454 2.014 0.492 0.839 1.000 0.625 CB 1.270 Z: 17 20.038 2.013 0.394 0.901 0.875 0.812 CA 1.456 17 residues pruned to eliminate duplicates Z: 27 29.861 2.277 0.554 0.594 0.885 0.692 CB 1.709 27 residues pruned to eliminate duplicates Z: 26 27.856 2.203 0.702 0.497 0.960 0.720 CB 1.553 24 residues pruned to eliminate duplicates Z: 16 29.867 2.121 0.785 0.847 1.000 0.600 CB 1.513 16 residues pruned to eliminate duplicates Z: 9 5.052 1.661 0.207 0.549 0.875 0.375 CB 0.971 Z: 20 39.788 2.304 0.748 0.918 1.000 0.789 CB 1.599 20 residues pruned to eliminate duplicates Z: 6 6.586 1.798 -0.008 0.808 1.000 1.000 C 1.263 Z: 80 45.915 2.145 0.695 0.542 0.937 0.633 CB 1.456 80 residues pruned to eliminate duplicates Z: 13 8.213 1.780 0.490 0.443 0.833 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 16 13.649 1.825 0.221 0.915 1.000 0.800 CB 1.118 16 residues pruned to eliminate duplicates Z: 20 22.515 1.934 0.963 0.529 0.947 0.474 CB 1.396 20 residues pruned to eliminate duplicates Z: 16 12.765 1.778 0.202 0.920 1.000 1.000 CB 1.086 16 residues pruned to eliminate duplicates Z: 17 6.668 1.794 0.357 0.361 0.688 0.562 CB 1.157 17 residues pruned to eliminate duplicates Z: 6 10.266 2.009 0.700 0.827 0.800 0.800 CB 1.266 6 residues pruned to eliminate duplicates Z: 24 18.377 2.182 0.632 0.482 0.826 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 16 11.892 1.814 0.065 0.926 1.000 0.933 CB 1.114 16 residues pruned to eliminate duplicates Z: 12 3.517 1.879 -0.044 0.314 0.818 0.273 CB 0.886 12 residues pruned to eliminate duplicates Z: 15 12.973 1.880 0.739 0.449 0.786 0.571 CB 1.422 15 residues pruned to eliminate duplicates Z: 20 23.052 1.921 0.613 0.827 0.947 0.737 CA 1.358 20 residues pruned to eliminate duplicates Z: 100 54.552 2.157 0.763 0.578 0.909 0.596 CB 1.471 100 residues pruned to eliminate duplicates Z: 17 27.162 2.077 0.511 0.913 1.000 0.875 CB 1.531 17 residues pruned to eliminate duplicates Z: 49 43.883 2.256 0.850 0.593 0.938 0.458 CB 1.481 49 residues pruned to eliminate duplicates Z: 28 30.901 2.152 0.785 0.473 0.926 0.444 CA 1.718 28 residues pruned to eliminate duplicates Z: 42 35.555 2.209 0.464 0.609 0.976 0.683 CB 1.587 42 residues pruned to eliminate duplicates Z: 34 38.718 2.349 0.735 0.518 0.939 0.606 CB 1.728 34 residues pruned to eliminate duplicates Z: 67 43.747 2.266 0.546 0.625 0.939 0.621 CB 1.455 67 residues pruned to eliminate duplicates Z: 15 31.540 2.248 1.175 0.841 0.786 0.500 CB 1.637 15 residues pruned to eliminate duplicates Z: 16 15.812 2.046 0.648 0.339 0.933 0.667 CB 1.546 16 residues pruned to eliminate duplicates Z: 25 28.569 2.304 0.401 0.614 0.917 0.708 CA 1.769 25 residues pruned to eliminate duplicates Z: 13 17.956 1.965 0.391 0.851 1.000 0.750 CB 1.403 13 residues pruned to eliminate duplicates Z: 9 7.349 2.011 0.626 0.477 0.625 0.250 CA 1.302 9 residues pruned to eliminate duplicates Z: 7 6.763 2.131 0.183 0.723 0.667 0.333 CB 1.344 7 residues pruned to eliminate duplicates Z: 11 16.476 1.906 0.733 0.653 1.000 0.500 CB 1.368 12 residues pruned to eliminate duplicates Z: 6 5.603 1.653 0.985 0.721 1.000 0.800 CB 0.625 Z: 22 28.468 2.262 0.740 0.610 0.952 0.762 CB 1.494 22 residues pruned to eliminate duplicates Z: 21 20.934 1.884 0.893 0.568 0.950 0.650 CB 1.294 21 residues pruned to eliminate duplicates Z: 17 22.990 1.917 0.508 0.934 0.938 0.750 CB 1.478 17 residues pruned to eliminate duplicates Z: 8 7.710 1.729 0.412 0.620 0.857 0.571 CA 1.243 8 residues pruned to eliminate duplicates Z: 16 12.439 2.132 0.573 0.455 0.933 0.600 CB 1.074 16 residues pruned to eliminate duplicates Z: 79 44.620 2.242 0.586 0.542 0.872 0.526 CB 1.564 79 residues pruned to eliminate duplicates Z: 35 35.177 2.189 0.989 0.584 0.882 0.588 CB 1.449 35 residues pruned to eliminate duplicates Z: 55 43.388 2.247 0.751 0.564 0.926 0.574 CB 1.523 55 residues pruned to eliminate duplicates Z: 25 19.438 1.841 0.713 0.585 0.958 0.667 CB 1.210 25 residues pruned to eliminate duplicates Z: 16 35.372 2.247 0.911 0.852 1.000 0.600 CB 1.573 16 residues pruned to eliminate duplicates Z: 7 5.871 1.663 0.001 0.570 1.000 0.500 CB 1.345 Z: 20 24.179 1.859 0.577 0.892 1.000 0.947 CA 1.359 20 residues pruned to eliminate duplicates Z: 17 20.326 1.933 0.361 0.892 1.000 0.562 CB 1.388 17 residues pruned to eliminate duplicates Z: 24 20.881 2.214 0.529 0.542 0.826 0.522 CB 1.494 24 residues pruned to eliminate duplicates Z: 9 5.057 1.748 -0.013 0.574 0.875 0.625 CB 1.103 Z: 6 4.606 1.684 -0.014 0.471 1.000 0.400 CA 1.279 Z: 17 30.288 2.166 0.729 0.821 0.938 0.562 CA 1.633 17 residues pruned to eliminate duplicates Z: 33 35.120 2.208 0.513 0.848 0.969 0.719 CB 1.423 33 residues pruned to eliminate duplicates Z: 20 21.193 1.938 0.793 0.516 0.947 0.579 CB 1.454 20 residues pruned to eliminate duplicates Z: 14 28.886 2.129 0.823 0.785 1.000 0.692 CA 1.606 14 residues pruned to eliminate duplicates Z: 15 21.619 2.087 0.558 0.810 0.857 0.357 CB 1.582 15 residues pruned to eliminate duplicates Z: 11 25.057 2.232 0.928 0.830 0.900 0.700 CB 1.538 11 residues pruned to eliminate duplicates Z: 12 5.290 1.635 0.466 0.390 0.636 0.545 CB 1.175 12 residues pruned to eliminate duplicates Z: 32 28.933 2.154 0.732 0.528 0.839 0.548 CB 1.616 32 residues pruned to eliminate duplicates Z: 8 3.670 1.463 0.275 0.311 0.857 0.286 O 1.070 Z: 35 30.208 2.076 0.569 0.842 0.912 0.794 CB 1.300 35 residues pruned to eliminate duplicates Z: 40 28.877 2.148 0.764 0.491 0.846 0.487 CB 1.455 40 residues pruned to eliminate duplicates Z: 81 49.253 2.172 0.816 0.623 0.900 0.588 CB 1.382 81 residues pruned to eliminate duplicates Z: 18 18.270 1.883 0.243 0.918 0.941 0.824 CB 1.419 18 residues pruned to eliminate duplicates Z: 6 2.566 1.401 0.611 0.294 0.800 0.600 CB 0.800 Z: 27 45.599 2.376 0.747 0.860 0.962 0.808 CB 1.647 27 residues pruned to eliminate duplicates Z: 10 19.296 2.100 0.426 0.854 1.000 0.889 CA 1.587 10 residues pruned to eliminate duplicates Z: 42 34.100 2.205 0.740 0.500 0.854 0.512 CB 1.627 60 residues pruned to eliminate duplicates Z: 20 15.164 1.933 0.570 0.767 0.842 0.368 CB 1.075 20 residues pruned to eliminate duplicates Z: 15 20.346 2.022 0.394 0.913 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 9 4.323 1.985 0.077 0.184 0.750 0.750 CB 1.394 9 residues pruned to eliminate duplicates Z: 30 16.424 1.853 0.416 0.587 0.862 0.621 CB 1.240 30 residues pruned to eliminate duplicates Z: 20 22.247 2.176 0.711 0.454 0.842 0.579 CA 1.707 20 residues pruned to eliminate duplicates Z: 14 12.051 2.145 0.635 0.362 0.846 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 17 17.018 1.898 0.916 0.380 0.875 0.562 CB 1.518 17 residues pruned to eliminate duplicates Z: 16 20.589 1.949 0.403 0.934 1.000 0.867 CB 1.356 16 residues pruned to eliminate duplicates Z: 12 8.131 2.062 0.158 0.187 0.909 0.455 CA 1.643 12 residues pruned to eliminate duplicates Z: 21 31.602 2.156 0.671 0.891 1.000 0.650 CB 1.410 21 residues pruned to eliminate duplicates Z: 16 12.621 1.813 0.106 0.904 1.000 0.933 CB 1.157 16 residues pruned to eliminate duplicates Z: 31 27.263 2.160 0.637 0.535 0.867 0.533 CB 1.568 31 residues pruned to eliminate duplicates Z: 16 22.407 1.973 1.054 0.483 0.933 0.533 CB 1.556 16 residues pruned to eliminate duplicates Z: 20 39.175 2.315 0.926 0.926 0.895 0.684 CB 1.580 20 residues pruned to eliminate duplicates Z: 8 8.304 1.973 0.332 0.332 1.000 0.857 CA 1.437 8 residues pruned to eliminate duplicates Z: 80 55.667 2.321 0.645 0.590 0.962 0.620 CB 1.565 80 residues pruned to eliminate duplicates Z: 12 21.612 2.098 0.978 0.558 1.000 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 13 19.402 2.097 0.776 0.524 0.917 0.667 CB 1.602 15 residues pruned to eliminate duplicates Z: 21 21.034 1.995 0.480 0.814 0.950 0.650 CB 1.276 21 residues pruned to eliminate duplicates Z: 15 19.997 2.125 0.513 0.834 1.000 0.857 CB 1.246 15 residues pruned to eliminate duplicates 6 1.332 1.697 -0.121 0.100 0.800 0.600 CB 0.833 ? Z: 76 38.944 2.081 0.562 0.529 0.960 0.573 CB 1.401 76 residues pruned to eliminate duplicates Z: 20 20.632 1.928 0.735 0.577 0.947 0.684 CB 1.386 20 residues pruned to eliminate duplicates Z: 30 27.996 2.138 0.712 0.544 0.931 0.517 CB 1.460 30 residues pruned to eliminate duplicates Z: 17 27.848 2.430 0.751 0.467 0.938 0.625 CA 1.804 17 residues pruned to eliminate duplicates Z: 8 3.942 1.456 0.762 0.455 0.714 0.571 CB 0.852 Z: 25 15.219 1.778 0.541 0.576 0.875 0.708 CB 1.204 25 residues pruned to eliminate duplicates Z: 6 18.274 2.393 0.885 0.542 1.000 0.400 CA 1.738 6 residues pruned to eliminate duplicates Z: 17 15.902 2.151 0.990 0.276 0.812 0.438 CB 1.473 17 residues pruned to eliminate duplicates Z: 67 41.806 2.166 0.747 0.570 0.909 0.606 CB 1.398 67 residues pruned to eliminate duplicates Z: 12 15.779 1.865 0.536 0.568 1.000 0.818 CA 1.556 11 residues pruned to eliminate duplicates Z: 12 20.444 1.960 1.058 0.907 0.909 0.364 CB 1.195 12 residues pruned to eliminate duplicates Z: 10 11.809 2.132 0.555 0.416 0.889 0.444 CB 1.458 10 residues pruned to eliminate duplicates Z: 15 28.362 2.055 0.633 0.924 1.000 1.000 CB 1.585 15 residues pruned to eliminate duplicates Z: 63 45.506 2.271 0.775 0.541 0.887 0.532 CB 1.553 63 residues pruned to eliminate duplicates Z: 22 24.629 2.162 0.738 0.441 0.952 0.619 CB 1.596 22 residues pruned to eliminate duplicates Z: 8 6.903 1.590 0.204 0.566 1.000 0.571 CB 1.278 6 residues pruned to eliminate duplicates Z: 39 49.824 2.298 0.798 0.822 0.947 0.605 CB 1.561 39 residues pruned to eliminate duplicates Z: 11 3.027 1.596 -0.070 0.333 0.700 0.500 CB 1.106 20 residues pruned to eliminate duplicates Z: 8 13.974 1.870 0.692 0.884 1.000 0.857 CA 1.206 8 residues pruned to eliminate duplicates Z: 99 54.779 2.244 0.727 0.567 0.908 0.602 CB 1.474 99 residues pruned to eliminate duplicates Z: 54 34.695 2.199 0.804 0.460 0.774 0.491 CB 1.617 54 residues pruned to eliminate duplicates Z: 6 5.668 1.851 0.041 0.658 0.800 0.200 CA 1.419 Z: 8 2.238 1.573 -0.152 0.449 0.857 0.571 CB 0.779 6 residues pruned to eliminate duplicates Z: 18 21.760 1.873 0.382 0.910 1.000 0.765 CB 1.446 17 residues pruned to eliminate duplicates Z: 31 29.844 2.294 0.832 0.467 0.900 0.633 CB 1.489 31 residues pruned to eliminate duplicates Z: 28 33.293 2.484 0.759 0.429 0.889 0.333 CB 1.777 28 residues pruned to eliminate duplicates Z: 23 35.527 2.286 0.687 0.856 0.955 0.773 CB 1.517 23 residues pruned to eliminate duplicates Z: 8 17.287 2.040 1.122 0.700 0.857 0.714 CA 1.468 8 residues pruned to eliminate duplicates Z: 33 34.003 2.311 0.674 0.603 0.938 0.656 CB 1.503 33 residues pruned to eliminate duplicates Z: 14 6.362 1.647 0.469 0.445 0.769 0.615 CB 1.003 14 residues pruned to eliminate duplicates Z: 17 22.181 1.951 0.465 0.886 0.938 0.750 CA 1.493 17 residues pruned to eliminate duplicates Z: 17 18.852 1.846 0.524 0.858 0.875 0.375 CB 1.410 17 residues pruned to eliminate duplicates Z: 34 26.814 2.190 0.411 0.548 0.909 0.697 CB 1.585 34 residues pruned to eliminate duplicates Z: 50 54.427 2.357 0.814 0.693 0.959 0.694 CB 1.590 50 residues pruned to eliminate duplicates Z: 17 24.905 1.967 0.576 0.927 1.000 0.250 CB 1.408 17 residues pruned to eliminate duplicates Z: 18 32.747 2.327 0.765 0.748 1.000 0.824 CB 1.549 18 residues pruned to eliminate duplicates Z: 38 37.047 2.228 0.989 0.534 0.919 0.649 CB 1.447 38 residues pruned to eliminate duplicates Z: 8 6.191 1.770 -0.187 0.610 1.000 0.429 CB 1.465 7 residues pruned to eliminate duplicates Z: 18 26.238 1.997 0.608 0.912 1.000 0.824 CB 1.403 18 residues pruned to eliminate duplicates Z: 62 43.757 2.166 0.672 0.644 0.918 0.656 CB 1.473 62 residues pruned to eliminate duplicates Z: 10 12.623 1.929 0.597 0.614 0.889 0.778 CB 1.380 10 residues pruned to eliminate duplicates Z: 29 16.139 1.828 0.635 0.486 0.929 0.643 CB 1.115 29 residues pruned to eliminate duplicates Z: 16 17.966 2.000 0.446 0.829 0.933 0.667 CB 1.294 16 residues pruned to eliminate duplicates Z: 8 5.846 1.825 0.006 0.567 1.000 0.571 CA 1.129 Z: 87 46.628 2.141 0.678 0.567 0.907 0.593 CB 1.446 87 residues pruned to eliminate duplicates Z: 13 3.374 1.646 0.421 0.186 0.500 0.417 N 1.214 8 residues pruned to eliminate duplicates Z: 25 14.395 1.730 0.512 0.544 0.958 0.667 CB 1.123 25 residues pruned to eliminate duplicates Z: 7 3.277 1.584 -0.073 0.478 1.000 0.500 CB 0.931 Z: 19 24.972 1.916 0.627 0.902 1.000 0.833 CA 1.346 19 residues pruned to eliminate duplicates Z: 19 21.828 2.001 0.774 0.544 1.000 0.556 CB 1.388 19 residues pruned to eliminate duplicates Z: 9 6.712 1.852 -0.143 0.665 1.000 0.500 CB 1.284 9 residues pruned to eliminate duplicates Z: 96 48.009 2.120 0.644 0.658 0.926 0.674 CB 1.318 96 residues pruned to eliminate duplicates Z: 14 42.026 2.287 1.392 0.942 1.000 0.692 CB 1.477 18 residues pruned to eliminate duplicates Z: 16 19.674 2.237 0.702 0.439 0.867 0.600 CA 1.640 16 residues pruned to eliminate duplicates Z: 51 33.512 2.235 0.684 0.456 0.880 0.580 CB 1.498 51 residues pruned to eliminate duplicates Z: 14 24.311 2.165 0.381 0.918 1.000 0.846 CB 1.589 14 residues pruned to eliminate duplicates Z: 78 44.588 2.167 0.569 0.569 0.961 0.662 CB 1.455 78 residues pruned to eliminate duplicates Z: 7 10.007 1.804 0.519 0.705 0.833 0.333 CA 1.484 7 residues pruned to eliminate duplicates Z: 38 21.843 2.106 0.757 0.370 0.784 0.432 CB 1.424 38 residues pruned to eliminate duplicates Z: 15 18.233 2.114 0.675 0.455 0.929 0.857 CA 1.552 16 residues pruned to eliminate duplicates Z: 81 50.971 2.179 0.815 0.590 0.900 0.675 CB 1.469 81 residues pruned to eliminate duplicates Z: 14 13.480 1.852 0.945 0.527 0.769 0.615 CB 1.314 13 residues pruned to eliminate duplicates Z: 39 55.733 2.325 0.820 0.866 0.921 0.711 CB 1.698 39 residues pruned to eliminate duplicates Z: 20 19.462 1.927 0.905 0.524 0.895 0.737 CB 1.327 20 residues pruned to eliminate duplicates Z: 14 30.980 2.215 0.928 0.831 1.000 0.538 CB 1.511 14 residues pruned to eliminate duplicates Z: 27 34.520 2.150 0.999 0.669 0.923 0.654 CB 1.459 27 residues pruned to eliminate duplicates Z: 13 21.815 2.146 0.452 0.899 1.000 0.917 CA 1.444 13 residues pruned to eliminate duplicates Z: 23 43.987 2.359 0.686 0.784 1.000 0.682 CB 1.837 23 residues pruned to eliminate duplicates Z: 13 20.928 1.895 1.030 0.893 0.833 0.583 CB 1.352 13 residues pruned to eliminate duplicates Z: 10 10.835 1.875 0.509 0.645 0.889 0.778 CB 1.254 10 residues pruned to eliminate duplicates Z: 12 6.286 1.761 0.212 0.312 0.818 0.636 CA 1.336 8 residues pruned to eliminate duplicates Z: 28 42.637 2.363 0.912 0.634 0.889 0.704 CB 1.802 28 residues pruned to eliminate duplicates Z: 22 12.690 2.009 0.593 0.489 0.905 0.571 CB 0.967 33 residues pruned to eliminate duplicates Z: 16 16.302 1.746 0.607 0.938 1.000 0.600 CB 1.043 16 residues pruned to eliminate duplicates Z: 17 12.667 1.911 0.609 0.358 0.875 0.625 CA 1.371 17 residues pruned to eliminate duplicates Z: 6 6.714 2.029 -0.175 0.815 1.000 0.800 CB 1.364 Z: 13 15.686 1.949 0.523 0.825 0.833 0.583 CB 1.382 13 residues pruned to eliminate duplicates Z: 26 30.989 2.099 0.795 0.700 0.960 0.720 CB 1.428 26 residues pruned to eliminate duplicates Z: 12 18.123 2.127 0.666 0.817 0.909 0.818 CB 1.288 12 residues pruned to eliminate duplicates Z: 19 25.135 2.065 0.788 0.529 1.000 0.778 CB 1.560 9 residues pruned to eliminate duplicates Z: 13 3.436 1.558 0.756 0.273 0.500 0.417 CB 0.938 13 residues pruned to eliminate duplicates Z: 47 38.885 2.296 0.646 0.539 0.935 0.609 CB 1.562 47 residues pruned to eliminate duplicates Z: 9 12.403 1.901 0.636 0.511 1.000 0.750 CB 1.395 Z: 13 22.071 1.891 0.824 0.896 1.000 0.667 CB 1.323 13 residues pruned to eliminate duplicates Z: 24 35.659 2.359 0.883 0.580 0.913 0.652 CA 1.697 24 residues pruned to eliminate duplicates Z: 9 19.149 1.966 0.776 0.923 1.000 1.000 CB 1.363 9 residues pruned to eliminate duplicates Z: 39 38.155 2.181 0.905 0.505 0.947 0.658 CB 1.564 35 residues pruned to eliminate duplicates Z: 11 19.605 2.200 0.417 0.888 1.000 0.800 CB 1.433 11 residues pruned to eliminate duplicates Z: 15 4.559 1.623 0.459 0.317 0.643 0.500 N 0.980 Z: 19 20.950 2.078 0.410 0.809 0.944 0.889 CB 1.364 19 residues pruned to eliminate duplicates Z: 84 49.788 2.159 0.717 0.619 0.952 0.602 CB 1.385 84 residues pruned to eliminate duplicates Z: 9 2.552 1.682 0.119 0.435 0.875 0.500 CB 0.586 Z: 24 29.272 2.253 0.720 0.759 0.913 0.609 CB 1.370 24 residues pruned to eliminate duplicates Z: 13 18.151 2.203 0.602 0.488 0.917 0.667 CB 1.640 13 residues pruned to eliminate duplicates Z: 10 9.177 1.820 0.162 0.830 1.000 0.778 CB 1.087 8 residues pruned to eliminate duplicates Z: 28 30.181 2.220 0.779 0.534 0.889 0.630 CB 1.601 28 residues pruned to eliminate duplicates Z: 6 3.637 1.578 0.026 0.689 1.000 0.600 CB 0.845 Z: 16 9.239 1.713 0.275 0.484 0.933 0.533 CB 1.188 16 residues pruned to eliminate duplicates Z: 12 7.453 1.878 0.142 0.436 0.818 0.455 CA 1.368 12 residues pruned to eliminate duplicates Z: 7 4.945 1.584 0.174 0.599 0.833 0.500 O 1.186 Z: 17 25.810 1.981 0.546 0.922 1.000 0.875 CB 1.481 17 residues pruned to eliminate duplicates Z: 28 19.760 2.151 0.536 0.449 0.963 0.519 CB 1.259 28 residues pruned to eliminate duplicates Z: 6 3.376 1.650 0.342 0.673 0.600 0.400 CB 0.968 6 residues pruned to eliminate duplicates Z: 31 29.176 2.063 0.615 0.704 0.967 0.733 CB 1.373 31 residues pruned to eliminate duplicates Z: 15 30.981 2.216 0.811 0.813 1.000 0.429 CB 1.571 15 residues pruned to eliminate duplicates Z: 51 30.981 2.071 0.778 0.497 0.880 0.560 CB 1.356 51 residues pruned to eliminate duplicates Z: 15 12.826 1.812 0.187 0.938 1.000 1.000 CB 1.109 14 residues pruned to eliminate duplicates Z: 6 3.380 1.458 0.272 0.256 1.000 0.400 CB 1.077 Z: 9 18.529 1.904 0.894 0.892 1.000 0.625 CB 1.305 9 residues pruned to eliminate duplicates Z: 34 32.525 2.114 0.683 0.846 0.909 0.576 CB 1.300 34 residues pruned to eliminate duplicates Z: 17 22.430 1.964 0.405 0.947 1.000 0.812 CB 1.405 17 residues pruned to eliminate duplicates Z: 48 29.882 2.133 0.514 0.514 0.915 0.617 CB 1.455 48 residues pruned to eliminate duplicates Z: 19 15.067 2.203 0.296 0.471 0.833 0.556 CB 1.536 19 residues pruned to eliminate duplicates Z: 31 25.220 2.082 0.542 0.605 0.933 0.767 CB 1.391 31 residues pruned to eliminate duplicates Z: 99 49.698 2.126 0.715 0.556 0.918 0.520 CB 1.419 99 residues pruned to eliminate duplicates Z: 6 5.949 1.804 0.438 0.614 0.800 0.400 CB 1.151 Z: 10 4.775 1.781 -0.066 0.619 0.889 0.667 CB 0.962 11 residues pruned to eliminate duplicates Z: 36 35.986 2.133 0.635 0.861 0.914 0.714 CB 1.402 36 residues pruned to eliminate duplicates Z: 9 40.211 2.570 1.284 0.793 1.000 1.000 CA 1.873 9 residues pruned to eliminate duplicates Z: 19 14.585 2.125 0.522 0.373 0.778 0.333 CB 1.566 19 residues pruned to eliminate duplicates Z: 16 19.604 2.240 0.569 0.493 0.933 0.667 CA 1.555 16 residues pruned to eliminate duplicates Z: 33 37.518 2.304 0.731 0.578 0.875 0.656 CB 1.763 33 residues pruned to eliminate duplicates Z: 9 5.164 1.628 0.953 0.438 0.500 0.125 C 1.225 9 residues pruned to eliminate duplicates Z: 17 13.159 1.927 0.726 0.451 0.812 0.562 CB 1.279 12 residues pruned to eliminate duplicates Z: 13 20.350 1.871 0.617 0.908 1.000 0.917 CA 1.380 13 residues pruned to eliminate duplicates Z: 15 12.445 1.824 0.576 0.474 0.929 0.714 CB 1.279 15 residues pruned to eliminate duplicates Z: 6 2.297 0.872 0.936 0.696 1.000 1.000 C 0.509 Z: 16 13.409 1.851 0.200 0.928 1.000 0.800 CB 1.091 16 residues pruned to eliminate duplicates Z: 22 19.225 2.034 0.546 0.432 0.952 0.762 CB 1.504 22 residues pruned to eliminate duplicates 7 1.255 1.852 -0.098 0.215 0.500 0.333 CB 0.859 ? Z: 6 2.315 1.248 0.568 0.299 0.800 0.400 C 0.828 Z: 18 29.587 2.216 0.765 0.675 1.000 0.941 CA 1.562 18 residues pruned to eliminate duplicates Z: 9 6.225 1.779 -0.221 0.634 1.000 0.625 O 1.400 Z: 58 36.253 2.000 0.736 0.600 0.965 0.702 CB 1.303 58 residues pruned to eliminate duplicates Z: 12 16.268 2.141 0.490 0.490 1.000 0.727 CB 1.553 12 residues pruned to eliminate duplicates Z: 9 7.545 1.667 0.653 0.837 1.000 0.750 CB 0.724 Z: 9 13.368 1.965 0.429 0.792 1.000 0.875 CA 1.303 9 residues pruned to eliminate duplicates Z: 16 53.756 2.329 1.476 0.913 1.000 0.933 CB 1.704 19 residues pruned to eliminate duplicates Z: 15 17.665 1.824 0.713 0.938 1.000 0.714 CB 1.051 16 residues pruned to eliminate duplicates Z: 20 26.585 2.326 0.656 0.575 0.895 0.737 CB 1.646 20 residues pruned to eliminate duplicates Z: 27 27.395 2.275 0.687 0.513 0.923 0.462 CB 1.498 27 residues pruned to eliminate duplicates Z: 47 31.390 2.154 0.683 0.496 0.870 0.652 CB 1.473 47 residues pruned to eliminate duplicates Z: 21 28.417 2.264 0.774 0.604 0.900 0.700 CB 1.592 21 residues pruned to eliminate duplicates Z: 49 36.127 2.056 0.778 0.600 0.938 0.604 CB 1.383 49 residues pruned to eliminate duplicates Z: 10 12.712 1.945 0.426 0.574 1.000 0.667 CB 1.422 10 residues pruned to eliminate duplicates Z: 13 15.259 1.964 0.483 0.578 1.000 0.750 CB 1.402 14 residues pruned to eliminate duplicates Z: 30 38.040 2.330 0.825 0.598 1.000 0.724 CB 1.512 51 residues pruned to eliminate duplicates Z: 8 15.972 2.101 1.041 0.575 1.000 0.714 CB 1.310 8 residues pruned to eliminate duplicates Z: 26 34.154 2.407 0.992 0.474 0.880 0.440 CB 1.662 26 residues pruned to eliminate duplicates Z: 51 26.555 1.933 0.682 0.560 0.920 0.620 CB 1.184 51 residues pruned to eliminate duplicates Z: 15 9.331 1.763 -0.045 0.902 1.000 0.929 CB 1.056 15 residues pruned to eliminate duplicates Z: 11 24.697 2.259 0.671 0.786 0.900 0.900 CA 1.788 11 residues pruned to eliminate duplicates Z: 20 30.544 2.096 1.100 0.791 0.947 0.684 CB 1.301 20 residues pruned to eliminate duplicates Z: 23 35.303 2.265 0.723 0.691 0.955 0.773 CB 1.696 23 residues pruned to eliminate duplicates Z: 37 20.433 2.068 0.504 0.497 0.917 0.528 CB 1.198 37 residues pruned to eliminate duplicates 6 1.389 1.279 0.359 0.313 0.600 0.600 CA 0.733 ? Z: 6 3.978 1.828 -0.342 0.472 1.000 0.600 CB 1.522 6 residues pruned to eliminate duplicates Z: 38 29.114 2.191 0.546 0.562 0.892 0.622 CB 1.492 38 residues pruned to eliminate duplicates Z: 11 22.183 2.234 0.842 0.615 0.900 0.800 CB 1.698 11 residues pruned to eliminate duplicates Z: 6 11.956 1.874 1.086 0.834 0.800 0.400 CB 1.282 6 residues pruned to eliminate duplicates Z: 11 7.201 1.906 0.194 0.410 0.900 0.400 CB 1.221 11 residues pruned to eliminate duplicates Z: 20 22.989 1.942 0.847 0.585 1.000 0.579 CB 1.355 20 residues pruned to eliminate duplicates Z: 85 50.200 2.156 0.776 0.555 0.929 0.643 CB 1.461 91 residues pruned to eliminate duplicates Z: 15 16.476 2.057 0.588 0.484 0.929 0.786 CB 1.477 15 residues pruned to eliminate duplicates Z: 59 52.213 2.219 0.925 0.664 0.914 0.638 CB 1.509 72 residues pruned to eliminate duplicates Z: 13 9.185 1.871 0.740 0.431 0.750 0.667 CB 1.166 13 residues pruned to eliminate duplicates Z: 29 30.534 2.187 0.627 0.547 0.929 0.607 CB 1.668 29 residues pruned to eliminate duplicates Z: 8 4.999 1.666 0.120 0.541 0.857 0.571 CB 1.135 6 residues pruned to eliminate duplicates Z: 7 2.880 2.070 -0.034 0.198 0.833 0.500 CB 1.012 7 residues pruned to eliminate duplicates 6 1.817 1.582 -0.281 0.483 0.600 0.600 CB 1.211 ? Z: 15 16.086 2.316 0.623 0.382 0.786 0.429 CB 1.650 15 residues pruned to eliminate duplicates Z: 36 38.160 2.272 0.664 0.585 0.943 0.629 CA 1.667 36 residues pruned to eliminate duplicates Z: 9 4.852 1.688 0.415 0.260 0.750 0.375 CB 1.260 9 residues pruned to eliminate duplicates Z: 7 4.943 1.607 0.571 0.662 0.833 0.833 CA 0.825 7 residues pruned to eliminate duplicates Z: 7 5.714 1.488 0.243 0.567 1.000 0.833 CB 1.182 7 residues pruned to eliminate duplicates Z: 18 11.800 1.850 0.615 0.480 0.824 0.529 CB 1.187 18 residues pruned to eliminate duplicates Z: 16 25.422 2.249 0.740 0.676 0.933 0.867 CB 1.528 16 residues pruned to eliminate duplicates Z: 14 8.121 1.842 0.538 0.341 0.692 0.538 CA 1.365 14 residues pruned to eliminate duplicates 6 1.785 1.703 0.033 0.100 0.600 0.400 CB 1.261 ? Z: 35 34.353 2.308 0.957 0.381 0.824 0.353 CA 1.797 34 residues pruned to eliminate duplicates Z: 11 23.094 2.076 0.795 0.900 1.000 0.600 CB 1.400 11 residues pruned to eliminate duplicates Z: 16 11.737 1.734 0.237 0.870 0.933 0.867 CB 1.105 16 residues pruned to eliminate duplicates Z: 10 5.128 1.551 0.028 0.481 1.000 0.333 CB 1.092 8 residues pruned to eliminate duplicates Z: 11 11.276 1.854 0.263 0.771 1.000 0.800 CA 1.198 11 residues pruned to eliminate duplicates Z: 24 14.399 1.811 0.619 0.526 0.870 0.609 CB 1.148 24 residues pruned to eliminate duplicates Z: 18 11.392 1.920 0.412 0.377 0.765 0.471 CB 1.520 18 residues pruned to eliminate duplicates Z: 20 12.555 1.948 0.680 0.439 0.895 0.579 CB 1.048 20 residues pruned to eliminate duplicates Z: 19 19.159 2.038 0.705 0.469 0.889 0.667 CB 1.508 19 residues pruned to eliminate duplicates Z: 10 7.015 1.561 0.339 0.467 0.889 0.667 CA 1.301 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 31 37.134 2.408 0.993 0.423 0.900 0.433 CB 1.701 31 residues pruned to eliminate duplicates Z: 24 37.944 2.549 0.846 0.472 0.870 0.348 CB 1.990 24 residues pruned to eliminate duplicates Z: 34 29.264 2.310 0.772 0.380 0.848 0.303 CB 1.666 34 residues pruned to eliminate duplicates Z: 26 38.517 2.478 0.933 0.468 0.920 0.400 CB 1.805 27 residues pruned to eliminate duplicates Z: 7 11.957 1.611 1.302 0.536 1.000 0.667 C 1.270 7 residues pruned to eliminate duplicates Z: 20 25.373 2.310 0.938 0.361 0.895 0.421 CB 1.687 20 residues pruned to eliminate duplicates Z: 23 23.883 2.333 0.645 0.340 0.864 0.409 CA 1.829 23 residues pruned to eliminate duplicates Z: 26 43.138 2.478 0.943 0.479 1.000 0.480 CB 1.830 26 residues pruned to eliminate duplicates Z: 8 12.871 2.107 0.462 0.582 1.000 0.714 CA 1.460 8 residues pruned to eliminate duplicates Z: 32 28.907 2.352 0.670 0.406 0.871 0.387 CB 1.674 32 residues pruned to eliminate duplicates Z: 46 36.212 2.269 0.837 0.403 0.889 0.422 CB 1.614 44 residues pruned to eliminate duplicates Z: 9 16.391 2.001 0.761 0.526 1.000 0.625 N 1.603 9 residues pruned to eliminate duplicates Z: 45 39.197 2.324 0.809 0.455 0.886 0.455 CB 1.661 45 residues pruned to eliminate duplicates Z: 26 31.050 2.411 0.895 0.372 0.840 0.280 CB 1.856 26 residues pruned to eliminate duplicates Z: 25 45.704 2.516 1.091 0.495 0.917 0.375 CB 1.945 25 residues pruned to eliminate duplicates Z: 21 35.028 2.417 1.008 0.460 0.950 0.450 CA 1.770 21 residues pruned to eliminate duplicates Z: 30 22.047 2.289 0.595 0.319 0.862 0.414 CB 1.588 30 residues pruned to eliminate duplicates Z: 31 43.553 2.449 1.068 0.469 0.933 0.400 CB 1.737 31 residues pruned to eliminate duplicates Z: 37 39.862 2.335 0.974 0.445 0.917 0.444 CB 1.663 37 residues pruned to eliminate duplicates Z: 27 24.897 2.233 0.908 0.395 0.846 0.346 CB 1.513 27 residues pruned to eliminate duplicates Z: 21 30.841 2.491 0.954 0.386 0.850 0.400 CB 1.882 21 residues pruned to eliminate duplicates Z: 15 12.964 1.897 0.726 0.375 0.857 0.500 CA 1.410 15 residues pruned to eliminate duplicates Z: 11 13.076 1.752 0.879 0.458 0.900 0.500 CA 1.458 11 residues pruned to eliminate duplicates Z: 55 35.585 2.139 0.732 0.520 0.907 0.481 CB 1.413 55 residues pruned to eliminate duplicates Z: 83 53.098 2.225 0.838 0.549 0.902 0.537 CB 1.514 83 residues pruned to eliminate duplicates Z: 40 34.367 2.218 0.758 0.560 0.846 0.564 CB 1.573 40 residues pruned to eliminate duplicates Z: 93 54.819 2.220 0.777 0.558 0.913 0.587 CB 1.500 93 residues pruned to eliminate duplicates Z: 121 62.298 2.229 0.824 0.515 0.900 0.592 CB 1.532 121 residues pruned to eliminate duplicates Z: 90 51.023 2.160 0.728 0.551 0.933 0.517 CB 1.478 90 residues pruned to eliminate duplicates Z: 71 43.618 2.246 0.634 0.545 0.886 0.557 CB 1.535 71 residues pruned to eliminate duplicates Z: 72 50.204 2.254 0.755 0.553 0.944 0.592 CB 1.515 72 residues pruned to eliminate duplicates Z: 76 51.162 2.244 0.781 0.559 0.947 0.547 CB 1.474 76 residues pruned to eliminate duplicates Z: 99 53.606 2.152 0.768 0.551 0.929 0.612 CB 1.459 99 residues pruned to eliminate duplicates Z: 100 53.578 2.172 0.731 0.569 0.929 0.606 CB 1.441 100 residues pruned to eliminate duplicates Z: 54 43.205 2.303 0.745 0.530 0.906 0.566 CB 1.584 54 residues pruned to eliminate duplicates Z: 99 49.884 2.155 0.739 0.549 0.878 0.582 CB 1.462 99 residues pruned to eliminate duplicates Z: 51 37.705 2.293 0.662 0.489 0.900 0.560 CB 1.572 51 residues pruned to eliminate duplicates Z: 94 54.322 2.278 0.819 0.534 0.882 0.538 CB 1.492 94 residues pruned to eliminate duplicates Z: 33 29.438 2.244 0.813 0.564 0.812 0.531 CB 1.480 33 residues pruned to eliminate duplicates Z: 72 47.934 2.263 0.775 0.567 0.887 0.521 CB 1.496 72 residues pruned to eliminate duplicates Z: 99 51.608 2.155 0.727 0.544 0.908 0.571 CB 1.477 99 residues pruned to eliminate duplicates Z: 92 52.845 2.206 0.791 0.565 0.868 0.538 CB 1.516 92 residues pruned to eliminate duplicates Z: 50 30.094 2.189 0.619 0.453 0.857 0.510 CB 1.485 50 residues pruned to eliminate duplicates Z: 44 35.089 2.297 0.704 0.494 0.860 0.512 CB 1.598 44 residues pruned to eliminate duplicates Z: 22 26.970 2.275 0.701 0.638 0.905 0.476 CB 1.477 22 residues pruned to eliminate duplicates Z: 74 47.620 2.249 0.735 0.548 0.904 0.521 CB 1.508 74 residues pruned to eliminate duplicates Z: 108 54.150 2.161 0.680 0.542 0.925 0.579 CB 1.495 108 residues pruned to eliminate duplicates Z: 45 36.377 2.270 0.718 0.475 0.886 0.477 CB 1.628 45 residues pruned to eliminate duplicates Z: 69 49.538 2.276 0.772 0.570 0.926 0.574 CB 1.502 69 residues pruned to eliminate duplicates Z: 76 52.523 2.240 0.800 0.546 0.933 0.547 CB 1.541 76 residues pruned to eliminate duplicates Z: 71 50.493 2.237 0.772 0.570 0.971 0.500 CB 1.465 71 residues pruned to eliminate duplicates Z: 101 58.619 2.239 0.854 0.544 0.880 0.490 CB 1.537 101 residues pruned to eliminate duplicates Z: 93 48.974 2.252 0.794 0.433 0.826 0.511 CB 1.639 93 residues pruned to eliminate duplicates Z: 73 50.579 2.263 0.756 0.554 0.931 0.569 CB 1.529 73 residues pruned to eliminate duplicates Z: 78 49.707 2.208 0.772 0.566 0.922 0.584 CB 1.473 78 residues pruned to eliminate duplicates Z: 92 51.727 2.157 0.762 0.548 0.934 0.604 CB 1.458 92 residues pruned to eliminate duplicates Z: 112 56.565 2.153 0.799 0.572 0.928 0.631 CB 1.393 112 residues pruned to eliminate duplicates Z: 74 52.739 2.275 0.769 0.565 0.918 0.616 CB 1.568 74 residues pruned to eliminate duplicates Z: 84 48.303 2.171 0.776 0.567 0.880 0.518 CB 1.465 84 residues pruned to eliminate duplicates Z: 76 46.966 2.219 0.754 0.569 0.880 0.613 CB 1.482 76 residues pruned to eliminate duplicates Z: 43 40.438 2.311 0.829 0.498 0.929 0.548 CB 1.594 43 residues pruned to eliminate duplicates Z: 99 54.544 2.172 0.743 0.545 0.929 0.592 CB 1.500 99 residues pruned to eliminate duplicates Z: 69 54.962 2.281 0.861 0.571 0.956 0.574 CB 1.533 69 residues pruned to eliminate duplicates Z: 93 51.416 2.159 0.716 0.572 0.924 0.663 CB 1.461 93 residues pruned to eliminate duplicates Z: 110 53.979 2.147 0.709 0.544 0.917 0.624 CB 1.470 110 residues pruned to eliminate duplicates Z: 98 53.749 2.156 0.756 0.565 0.918 0.619 CB 1.475 98 residues pruned to eliminate duplicates Z: 96 49.583 2.135 0.682 0.558 0.916 0.589 CB 1.462 96 residues pruned to eliminate duplicates Z: 89 58.176 2.233 0.913 0.547 0.932 0.602 CB 1.489 91 residues pruned to eliminate duplicates Z: 16 31.989 2.266 1.051 0.817 0.867 0.467 CB 1.557 16 residues pruned to eliminate duplicates Z: 107 54.709 2.137 0.807 0.523 0.915 0.557 CB 1.470 107 residues pruned to eliminate duplicates Z: 94 53.737 2.164 0.778 0.562 0.957 0.634 CB 1.425 94 residues pruned to eliminate duplicates Z: 70 52.707 2.258 0.782 0.588 0.971 0.623 CB 1.493 70 residues pruned to eliminate duplicates Z: 70 53.697 2.261 0.874 0.572 0.971 0.565 CB 1.466 70 residues pruned to eliminate duplicates Z: 105 51.150 2.135 0.727 0.548 0.904 0.558 CB 1.436 105 residues pruned to eliminate duplicates Z: 74 53.948 2.253 0.869 0.565 0.932 0.521 CB 1.511 74 residues pruned to eliminate duplicates Z: 90 51.630 2.179 0.801 0.537 0.921 0.562 CB 1.459 90 residues pruned to eliminate duplicates Z: 77 52.749 2.239 0.824 0.580 0.921 0.645 CB 1.490 77 residues pruned to eliminate duplicates Z: 89 46.759 2.156 0.695 0.525 0.932 0.614 CB 1.428 89 residues pruned to eliminate duplicates Z: 116 60.878 2.265 0.854 0.525 0.861 0.530 CB 1.532 116 residues pruned to eliminate duplicates Z: 74 52.852 2.248 0.763 0.578 0.945 0.603 CB 1.532 74 residues pruned to eliminate duplicates Z: 89 50.027 2.155 0.759 0.568 0.920 0.659 CB 1.431 89 residues pruned to eliminate duplicates Z: 88 51.901 2.194 0.742 0.547 0.943 0.575 CB 1.475 88 residues pruned to eliminate duplicates Z: 89 52.001 2.165 0.751 0.572 0.955 0.636 CB 1.429 89 residues pruned to eliminate duplicates Z: 79 47.633 2.158 0.884 0.547 0.897 0.577 CB 1.412 79 residues pruned to eliminate duplicates Z: 89 48.755 2.149 0.769 0.545 0.920 0.545 CB 1.422 89 residues pruned to eliminate duplicates Z: 41 24.177 1.933 0.688 0.556 0.875 0.675 CB 1.268 41 residues pruned to eliminate duplicates Z: 75 52.109 2.253 0.825 0.560 0.932 0.595 CB 1.491 75 residues pruned to eliminate duplicates Z: 96 51.464 2.241 0.793 0.520 0.884 0.537 CB 1.458 96 residues pruned to eliminate duplicates Z: 15 20.585 2.067 0.863 0.743 0.929 0.714 CB 1.238 15 residues pruned to eliminate duplicates Z: 98 54.040 2.170 0.768 0.563 0.938 0.619 CB 1.434 98 residues pruned to eliminate duplicates Z: 99 51.336 2.176 0.760 0.539 0.908 0.551 CB 1.435 99 residues pruned to eliminate duplicates Z: 48 27.724 1.962 0.694 0.557 0.915 0.617 CB 1.258 48 residues pruned to eliminate duplicates Z: 115 59.334 2.161 0.754 0.558 0.939 0.596 CB 1.476 113 residues pruned to eliminate duplicates Z: 13 17.993 2.084 0.666 0.821 1.000 0.417 CB 1.133 13 residues pruned to eliminate duplicates Z: 81 53.068 2.223 0.809 0.565 0.913 0.525 CB 1.518 81 residues pruned to eliminate duplicates Z: 100 53.349 2.139 0.752 0.569 0.919 0.606 CB 1.456 100 residues pruned to eliminate duplicates Z: 77 52.696 2.233 0.780 0.569 0.961 0.553 CB 1.481 77 residues pruned to eliminate duplicates Z: 91 45.757 2.143 0.749 0.555 0.878 0.556 CB 1.390 91 residues pruned to eliminate duplicates Z: 105 51.759 2.171 0.730 0.527 0.904 0.538 CB 1.455 105 residues pruned to eliminate duplicates Z: 16 6.617 1.736 0.368 0.274 0.867 0.467 CB 1.072 16 residues pruned to eliminate duplicates Z: 29 19.081 1.904 0.508 0.578 0.929 0.536 CB 1.254 29 residues pruned to eliminate duplicates Z: 88 48.862 2.168 0.739 0.550 0.908 0.632 CB 1.458 88 residues pruned to eliminate duplicates Z: 43 23.520 1.933 0.624 0.523 0.929 0.619 CB 1.217 43 residues pruned to eliminate duplicates Z: 29 14.839 1.823 0.484 0.471 0.893 0.643 CB 1.196 29 residues pruned to eliminate duplicates Z: 99 53.466 2.154 0.723 0.574 0.939 0.612 CB 1.443 99 residues pruned to eliminate duplicates Z: 18 9.831 1.724 0.313 0.436 1.000 0.647 CB 1.126 18 residues pruned to eliminate duplicates Z: 107 51.244 2.150 0.701 0.534 0.925 0.557 CB 1.424 107 residues pruned to eliminate duplicates Z: 89 49.467 2.190 0.776 0.562 0.886 0.568 CB 1.440 89 residues pruned to eliminate duplicates Z: 63 33.810 1.962 0.665 0.571 0.919 0.645 CB 1.334 25 residues pruned to eliminate duplicates Z: 7 2.798 1.494 0.478 0.337 0.833 0.167 CB 0.741 7 residues pruned to eliminate duplicates Z: 40 44.835 2.250 0.888 0.666 0.974 0.667 CB 1.487 40 residues pruned to eliminate duplicates Z: 10 21.065 2.163 1.046 0.806 1.000 1.000 CB 1.215 12 residues pruned to eliminate duplicates Z: 10 15.353 2.129 0.760 0.770 1.000 0.778 CB 1.075 10 residues pruned to eliminate duplicates Z: 15 15.874 1.971 0.609 0.597 0.857 0.714 CB 1.423 15 residues pruned to eliminate duplicates Z: 48 37.601 2.124 0.650 0.577 0.936 0.617 CB 1.551 48 residues pruned to eliminate duplicates Z: 41 38.502 2.201 0.802 0.648 0.950 0.750 CB 1.407 41 residues pruned to eliminate duplicates Z: 41 40.855 2.210 0.764 0.669 0.950 0.750 CB 1.492 41 residues pruned to eliminate duplicates Z: 32 31.655 2.227 0.661 0.591 0.935 0.581 CB 1.506 32 residues pruned to eliminate duplicates Z: 41 38.288 2.214 0.744 0.653 0.925 0.725 CB 1.470 41 residues pruned to eliminate duplicates Z: 44 34.401 2.152 0.780 0.588 0.907 0.581 CB 1.388 44 residues pruned to eliminate duplicates Z: 41 39.706 2.193 0.690 0.645 0.975 0.700 CB 1.518 41 residues pruned to eliminate duplicates Z: 45 31.907 2.095 0.691 0.603 0.886 0.682 CB 1.388 45 residues pruned to eliminate duplicates Z: 30 38.819 2.287 0.728 0.647 0.966 0.655 CB 1.647 30 residues pruned to eliminate duplicates Z: 37 38.412 2.283 0.762 0.559 0.889 0.722 CB 1.691 37 residues pruned to eliminate duplicates Z: 32 31.180 2.268 0.556 0.572 0.968 0.710 CB 1.530 32 residues pruned to eliminate duplicates Z: 32 32.833 2.250 0.652 0.556 0.968 0.581 CB 1.552 32 residues pruned to eliminate duplicates Z: 57 40.262 2.180 0.796 0.467 0.875 0.464 CB 1.624 57 residues pruned to eliminate duplicates Z: 31 31.432 2.197 0.608 0.639 0.900 0.600 CB 1.585 31 residues pruned to eliminate duplicates Z: 35 36.310 2.214 0.594 0.812 0.941 0.794 CB 1.429 35 residues pruned to eliminate duplicates Z: 22 37.151 2.294 0.870 0.861 0.905 0.762 CB 1.535 22 residues pruned to eliminate duplicates Z: 30 37.170 2.211 0.733 0.610 1.000 0.655 CB 1.622 30 residues pruned to eliminate duplicates Z: 21 42.674 2.311 0.866 0.864 1.000 0.800 CB 1.623 21 residues pruned to eliminate duplicates Z: 26 33.400 2.194 0.746 0.734 0.920 0.760 CB 1.536 26 residues pruned to eliminate duplicates Z: 31 33.601 2.279 0.614 0.612 0.967 0.667 CB 1.551 31 residues pruned to eliminate duplicates Z: 21 40.780 2.321 0.805 0.870 1.000 0.850 CB 1.589 21 residues pruned to eliminate duplicates Z: 23 39.199 2.288 0.724 0.779 1.000 0.864 CB 1.658 23 residues pruned to eliminate duplicates Z: 32 30.892 2.193 0.556 0.596 0.935 0.677 CB 1.585 32 residues pruned to eliminate duplicates Z: 23 41.103 2.266 0.821 0.782 1.000 0.818 CB 1.656 23 residues pruned to eliminate duplicates Z: 23 40.680 2.283 0.784 0.776 1.000 0.818 CB 1.669 23 residues pruned to eliminate duplicates Z: 30 33.175 2.247 0.593 0.642 0.966 0.793 CB 1.561 30 residues pruned to eliminate duplicates Z: 41 39.573 2.217 0.678 0.642 0.950 0.650 CB 1.550 41 residues pruned to eliminate duplicates Z: 21 39.586 2.303 0.764 0.836 1.000 0.800 CB 1.631 21 residues pruned to eliminate duplicates Z: 45 32.408 2.186 0.523 0.631 0.864 0.727 CB 1.502 45 residues pruned to eliminate duplicates Z: 40 37.453 2.171 0.688 0.627 0.974 0.769 CB 1.490 40 residues pruned to eliminate duplicates Z: 37 43.055 2.217 0.675 0.778 1.000 0.722 CB 1.513 37 residues pruned to eliminate duplicates Z: 18 15.499 2.088 0.476 0.673 0.882 0.588 CB 1.179 18 residues pruned to eliminate duplicates Z: 57 30.642 2.108 0.549 0.539 0.893 0.607 CB 1.351 57 residues pruned to eliminate duplicates Z: 126 59.102 2.147 0.691 0.606 0.920 0.640 CB 1.431 126 residues pruned to eliminate duplicates Z: 36 37.476 2.196 0.590 0.822 0.971 0.657 CB 1.413 36 residues pruned to eliminate duplicates Z: 46 35.194 2.178 0.505 0.635 0.933 0.644 CB 1.511 46 residues pruned to eliminate duplicates Z: 54 41.810 2.151 0.698 0.672 0.962 0.698 CB 1.394 54 residues pruned to eliminate duplicates Z: 20 16.604 2.054 0.318 0.596 0.895 0.526 CB 1.435 20 residues pruned to eliminate duplicates Z: 46 31.419 2.131 0.454 0.646 0.978 0.600 CB 1.349 46 residues pruned to eliminate duplicates Z: 53 31.686 2.123 0.587 0.606 0.885 0.558 CB 1.333 53 residues pruned to eliminate duplicates Z: 36 44.638 2.249 0.730 0.792 1.000 0.743 CB 1.501 36 residues pruned to eliminate duplicates Z: 34 40.877 2.244 0.646 0.829 1.000 0.758 CB 1.449 34 residues pruned to eliminate duplicates Z: 19 23.241 2.129 0.520 0.730 1.000 0.556 CB 1.376 19 residues pruned to eliminate duplicates Z: 42 41.305 2.241 0.638 0.680 1.000 0.659 CB 1.490 42 residues pruned to eliminate duplicates Z: 84 41.521 2.131 0.601 0.624 0.892 0.699 CB 1.334 84 residues pruned to eliminate duplicates Z: 55 30.213 2.112 0.555 0.599 0.870 0.611 CB 1.309 55 residues pruned to eliminate duplicates Z: 79 47.360 2.210 0.602 0.612 0.910 0.615 CB 1.496 79 residues pruned to eliminate duplicates Z: 61 40.823 2.201 0.709 0.629 0.867 0.633 CB 1.432 61 residues pruned to eliminate duplicates Z: 50 36.816 2.170 0.547 0.659 0.939 0.673 CB 1.441 50 residues pruned to eliminate duplicates Z: 68 35.820 2.124 0.528 0.583 0.896 0.642 CB 1.390 68 residues pruned to eliminate duplicates Z: 105 58.576 2.197 0.728 0.654 0.904 0.692 CB 1.451 105 residues pruned to eliminate duplicates Z: 107 50.200 2.133 0.671 0.564 0.906 0.660 CB 1.419 107 residues pruned to eliminate duplicates Z: 69 33.211 2.106 0.553 0.565 0.838 0.647 CB 1.378 69 residues pruned to eliminate duplicates Z: 72 40.344 2.109 0.648 0.590 0.901 0.620 CB 1.403 82 residues pruned to eliminate duplicates Z: 82 45.839 2.141 0.713 0.607 0.901 0.568 CB 1.392 82 residues pruned to eliminate duplicates Z: 59 41.224 2.214 0.617 0.602 0.931 0.655 CB 1.474 59 residues pruned to eliminate duplicates Z: 77 50.725 2.223 0.638 0.623 0.934 0.711 CB 1.523 77 residues pruned to eliminate duplicates Z: 69 39.022 2.135 0.638 0.554 0.912 0.647 CB 1.409 69 residues pruned to eliminate duplicates Z: 59 37.089 2.142 0.616 0.577 0.914 0.586 CB 1.429 59 residues pruned to eliminate duplicates Z: 72 51.419 2.189 0.730 0.672 0.930 0.662 CB 1.479 72 residues pruned to eliminate duplicates Z: 94 49.553 2.170 0.605 0.602 0.914 0.667 CB 1.465 94 residues pruned to eliminate duplicates Z: 91 53.899 2.176 0.714 0.627 0.933 0.644 CB 1.449 91 residues pruned to eliminate duplicates Z: 73 46.123 2.168 0.673 0.649 0.931 0.625 CB 1.401 73 residues pruned to eliminate duplicates Z: 71 38.482 2.146 0.625 0.553 0.900 0.686 CB 1.391 71 residues pruned to eliminate duplicates Z: 105 58.069 2.196 0.693 0.646 0.942 0.644 CB 1.419 105 residues pruned to eliminate duplicates Z: 24 24.088 2.158 0.607 0.644 0.870 0.609 CB 1.457 24 residues pruned to eliminate duplicates Z: 73 45.338 2.181 0.594 0.649 0.931 0.653 CB 1.437 73 residues pruned to eliminate duplicates Z: 114 53.915 2.160 0.643 0.620 0.920 0.602 CB 1.386 114 residues pruned to eliminate duplicates Z: 25 24.528 2.142 0.698 0.616 0.917 0.542 CB 1.345 25 residues pruned to eliminate duplicates Z: 105 60.599 2.195 0.733 0.660 0.923 0.635 CB 1.459 105 residues pruned to eliminate duplicates Z: 107 54.662 2.152 0.669 0.643 0.915 0.642 CB 1.413 107 residues pruned to eliminate duplicates Z: 58 37.349 2.142 0.651 0.635 0.912 0.632 CB 1.352 58 residues pruned to eliminate duplicates Z: 27 24.198 2.122 0.573 0.592 0.885 0.538 CB 1.471 27 residues pruned to eliminate duplicates Z: 57 45.740 2.207 0.780 0.650 0.929 0.589 CB 1.457 57 residues pruned to eliminate duplicates Z: 36 31.649 2.174 0.789 0.567 0.943 0.571 CB 1.367 36 residues pruned to eliminate duplicates Z: 80 46.581 2.197 0.572 0.603 0.924 0.595 CB 1.488 80 residues pruned to eliminate duplicates Z: 35 32.283 2.195 0.763 0.577 0.882 0.618 CB 1.505 35 residues pruned to eliminate duplicates Z: 74 47.209 2.205 0.629 0.659 0.918 0.658 CB 1.446 74 residues pruned to eliminate duplicates Z: 96 49.249 2.122 0.724 0.579 0.926 0.653 CB 1.382 96 residues pruned to eliminate duplicates Z: 39 30.327 2.141 0.676 0.622 0.895 0.711 CB 1.365 39 residues pruned to eliminate duplicates Z: 84 48.533 2.164 0.706 0.640 0.904 0.614 CB 1.400 84 residues pruned to eliminate duplicates Z: 42 32.983 2.106 0.838 0.621 0.878 0.756 CB 1.352 42 residues pruned to eliminate duplicates Z: 141 67.199 2.246 0.659 0.603 0.921 0.600 CB 1.500 141 residues pruned to eliminate duplicates Z: 39 26.284 2.062 0.647 0.571 0.842 0.684 CB 1.392 39 residues pruned to eliminate duplicates Z: 31 26.193 2.010 0.784 0.581 0.900 0.700 CB 1.370 31 residues pruned to eliminate duplicates Z: 16 25.552 2.196 0.941 0.563 0.933 0.600 CB 1.560 16 residues pruned to eliminate duplicates Z: 39 27.590 2.108 0.645 0.588 0.868 0.737 CB 1.365 39 residues pruned to eliminate duplicates Z: 36 29.867 2.149 0.749 0.631 0.886 0.714 CB 1.341 36 residues pruned to eliminate duplicates Z: 37 26.506 2.068 0.601 0.623 0.889 0.694 CB 1.337 37 residues pruned to eliminate duplicates Z: 15 21.437 2.112 0.986 0.634 0.857 0.714 CB 1.404 15 residues pruned to eliminate duplicates Z: 13 28.394 2.330 1.129 0.628 0.917 0.833 CB 1.598 13 residues pruned to eliminate duplicates Z: 12 24.417 2.196 1.078 0.619 1.000 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 38 30.873 2.166 0.691 0.626 0.892 0.703 CB 1.380 38 residues pruned to eliminate duplicates Z: 119 64.848 2.204 0.746 0.648 0.932 0.644 CB 1.450 119 residues pruned to eliminate duplicates Z: 62 43.084 2.154 0.829 0.599 0.918 0.656 CB 1.389 62 residues pruned to eliminate duplicates Z: 105 61.544 2.199 0.725 0.672 0.942 0.663 CB 1.441 105 residues pruned to eliminate duplicates Z: 35 21.583 1.923 0.652 0.528 0.853 0.618 CB 1.328 35 residues pruned to eliminate duplicates Z: 29 18.756 1.976 0.398 0.578 0.893 0.571 CB 1.333 29 residues pruned to eliminate duplicates Z: 24 26.813 2.070 0.649 0.695 0.957 0.739 CB 1.433 24 residues pruned to eliminate duplicates Z: 38 35.824 2.167 0.894 0.649 0.892 0.730 CB 1.401 38 residues pruned to eliminate duplicates Z: 22 23.440 2.100 0.508 0.729 0.905 0.810 CB 1.453 22 residues pruned to eliminate duplicates Z: 39 30.378 2.131 0.834 0.611 0.842 0.684 CB 1.348 39 residues pruned to eliminate duplicates Z: 23 28.559 2.079 0.821 0.734 0.909 0.818 CB 1.434 23 residues pruned to eliminate duplicates Z: 103 53.585 2.140 0.688 0.646 0.912 0.578 CB 1.405 103 residues pruned to eliminate duplicates Z: 23 25.644 2.062 0.803 0.663 0.909 0.591 CB 1.391 23 residues pruned to eliminate duplicates Z: 24 22.196 2.044 0.835 0.662 0.870 0.478 CB 1.220 24 residues pruned to eliminate duplicates Z: 24 23.405 2.089 0.754 0.662 0.913 0.652 CB 1.255 24 residues pruned to eliminate duplicates Z: 22 25.448 2.106 0.901 0.736 0.905 0.476 CB 1.240 22 residues pruned to eliminate duplicates Z: 24 22.631 2.033 0.948 0.649 0.826 0.478 CB 1.255 24 residues pruned to eliminate duplicates Z: 40 33.691 2.117 0.995 0.618 0.897 0.538 CB 1.273 40 residues pruned to eliminate duplicates Z: 38 33.421 2.145 1.027 0.629 0.838 0.541 CB 1.336 38 residues pruned to eliminate duplicates Z: 24 25.731 2.100 0.856 0.641 0.913 0.348 CB 1.321 24 residues pruned to eliminate duplicates Z: 36 38.617 2.362 0.702 0.518 0.943 0.543 CB 1.692 36 residues pruned to eliminate duplicates Z: 28 27.939 2.023 0.923 0.691 0.926 0.444 CB 1.253 28 residues pruned to eliminate duplicates Z: 28 33.286 2.065 0.881 0.709 0.963 0.481 CB 1.416 28 residues pruned to eliminate duplicates Z: 26 24.212 1.915 1.116 0.689 0.880 0.400 CB 1.143 26 residues pruned to eliminate duplicates Z: 52 49.804 2.275 0.813 0.626 0.922 0.608 CB 1.629 52 residues pruned to eliminate duplicates Z: 62 49.821 2.219 0.941 0.607 0.885 0.475 CB 1.511 62 residues pruned to eliminate duplicates Z: 87 49.659 2.216 0.674 0.545 0.919 0.535 CB 1.504 87 residues pruned to eliminate duplicates Z: 19 36.732 2.531 0.705 0.588 0.944 0.667 CB 1.952 19 residues pruned to eliminate duplicates Z: 35 33.580 2.307 0.779 0.459 0.882 0.588 CB 1.658 44 residues pruned to eliminate duplicates Z: 29 34.474 2.457 0.512 0.539 0.929 0.571 CB 1.819 29 residues pruned to eliminate duplicates Z: 20 25.481 2.450 0.586 0.509 0.842 0.632 CB 1.769 20 residues pruned to eliminate duplicates Z: 29 37.680 2.473 0.723 0.513 0.857 0.571 CB 1.924 29 residues pruned to eliminate duplicates Z: 27 36.637 2.503 0.702 0.538 0.885 0.577 CB 1.837 27 residues pruned to eliminate duplicates Z: 33 32.888 2.310 0.820 0.472 0.875 0.625 CB 1.626 33 residues pruned to eliminate duplicates Z: 31 38.441 2.399 0.637 0.556 0.967 0.667 CB 1.751 31 residues pruned to eliminate duplicates Z: 32 35.148 2.353 0.686 0.491 0.903 0.581 CB 1.778 32 residues pruned to eliminate duplicates Z: 22 26.679 2.390 0.563 0.514 0.905 0.619 CB 1.699 22 residues pruned to eliminate duplicates Z: 30 37.319 2.447 0.725 0.522 0.862 0.586 CA 1.864 30 residues pruned to eliminate duplicates Z: 24 39.073 2.403 0.835 0.574 0.957 0.739 CB 1.799 24 residues pruned to eliminate duplicates Z: 54 42.969 2.251 0.772 0.553 0.906 0.509 CB 1.552 54 residues pruned to eliminate duplicates Z: 28 38.383 2.478 0.664 0.546 0.926 0.667 CB 1.850 28 residues pruned to eliminate duplicates Z: 35 36.111 2.385 0.718 0.499 0.853 0.618 CA 1.773 35 residues pruned to eliminate duplicates Z: 30 38.691 2.421 0.714 0.520 0.931 0.759 CB 1.822 30 residues pruned to eliminate duplicates Z: 61 50.504 2.393 0.598 0.548 0.933 0.667 CB 1.744 61 residues pruned to eliminate duplicates Z: 35 44.667 2.364 0.710 0.589 0.971 0.794 CB 1.792 35 residues pruned to eliminate duplicates Z: 29 36.282 2.473 0.546 0.525 0.929 0.643 CB 1.885 29 residues pruned to eliminate duplicates Z: 15 20.113 2.401 0.411 0.526 0.929 0.500 CB 1.665 15 residues pruned to eliminate duplicates Z: 31 36.766 2.356 0.658 0.540 0.933 0.600 CA 1.771 31 residues pruned to eliminate duplicates Z: 31 35.286 2.330 0.562 0.539 0.967 0.633 CB 1.762 31 residues pruned to eliminate duplicates Z: 63 55.302 2.377 0.716 0.575 0.903 0.726 CB 1.772 63 residues pruned to eliminate duplicates Z: 56 46.899 2.349 0.645 0.548 0.909 0.636 CB 1.718 56 residues pruned to eliminate duplicates Z: 59 42.043 2.305 0.688 0.517 0.845 0.586 CB 1.652 59 residues pruned to eliminate duplicates Z: 32 36.865 2.376 0.603 0.588 0.871 0.645 CB 1.835 32 residues pruned to eliminate duplicates Z: 76 60.611 2.328 0.744 0.587 0.933 0.667 CB 1.699 76 residues pruned to eliminate duplicates Z: 34 34.806 2.311 0.629 0.532 0.879 0.667 CB 1.775 34 residues pruned to eliminate duplicates Z: 35 35.989 2.205 0.787 0.546 0.882 0.588 CA 1.697 35 residues pruned to eliminate duplicates Z: 32 37.681 2.356 0.610 0.584 0.903 0.613 CB 1.823 32 residues pruned to eliminate duplicates Z: 27 31.029 2.253 0.794 0.637 0.885 0.692 CB 1.497 27 residues pruned to eliminate duplicates Z: 25 29.437 2.344 0.624 0.669 0.833 0.833 CA 1.620 25 residues pruned to eliminate duplicates Z: 39 39.491 2.293 0.629 0.604 0.921 0.684 CB 1.686 39 residues pruned to eliminate duplicates Z: 32 36.540 2.358 0.633 0.581 0.871 0.677 CB 1.811 32 residues pruned to eliminate duplicates Z: 36 37.585 2.256 0.780 0.586 0.829 0.657 CB 1.758 36 residues pruned to eliminate duplicates Z: 46 43.193 2.352 0.584 0.598 0.911 0.689 CB 1.728 46 residues pruned to eliminate duplicates Z: 22 42.012 2.485 0.833 0.667 0.952 0.810 CA 1.811 22 residues pruned to eliminate duplicates Z: 64 54.682 2.328 0.624 0.595 0.968 0.698 CB 1.718 64 residues pruned to eliminate duplicates Z: 35 35.820 2.251 0.731 0.557 0.882 0.588 CA 1.690 35 residues pruned to eliminate duplicates Z: 13 47.748 2.530 1.344 0.907 0.917 0.917 CA 1.801 13 residues pruned to eliminate duplicates Z: 29 30.757 2.203 0.751 0.607 0.857 0.607 CB 1.588 29 residues pruned to eliminate duplicates Z: 32 39.796 2.331 0.815 0.613 0.839 0.581 CB 1.810 32 residues pruned to eliminate duplicates Z: 61 56.454 2.380 0.724 0.600 0.900 0.683 CB 1.794 62 residues pruned to eliminate duplicates Z: 15 47.493 2.389 1.108 0.921 1.000 0.571 CA 1.773 15 residues pruned to eliminate duplicates Z: 13 44.344 2.516 1.401 0.899 0.833 0.833 CA 1.817 13 residues pruned to eliminate duplicates Z: 24 49.321 2.426 1.056 0.670 0.957 0.739 CB 1.842 24 residues pruned to eliminate duplicates Z: 18 13.524 2.089 0.623 0.292 0.765 0.353 CB 1.598 18 residues pruned to eliminate duplicates Z: 24 46.025 2.431 0.839 0.661 1.000 0.696 CA 1.849 24 residues pruned to eliminate duplicates Z: 29 42.290 2.391 0.659 0.650 0.964 0.714 CA 1.817 29 residues pruned to eliminate duplicates Z: 34 37.696 2.381 0.526 0.609 0.939 0.576 CA 1.733 34 residues pruned to eliminate duplicates Z: 63 55.034 2.353 0.727 0.560 0.919 0.694 CB 1.765 63 residues pruned to eliminate duplicates Z: 35 43.350 2.370 0.733 0.612 0.941 0.676 CB 1.730 34 residues pruned to eliminate duplicates Z: 6 4.368 1.339 0.568 0.485 1.000 0.400 C 0.945 6 residues pruned to eliminate duplicates Z: 14 13.148 2.155 0.293 0.374 0.846 0.385 CB 1.770 14 residues pruned to eliminate duplicates Z: 14 12.992 2.203 0.335 0.392 0.846 0.385 CA 1.624 14 residues pruned to eliminate duplicates Z: 18 11.416 1.781 0.562 0.563 0.824 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 98 48.376 2.134 0.677 0.567 0.897 0.557 CB 1.435 98 residues pruned to eliminate duplicates Z: 98 53.577 2.176 0.735 0.568 0.928 0.598 CB 1.454 98 residues pruned to eliminate duplicates Z: 109 54.482 2.149 0.739 0.560 0.926 0.574 CB 1.429 109 residues pruned to eliminate duplicates Z: 12 11.073 1.851 0.644 0.527 0.818 0.636 CB 1.305 12 residues pruned to eliminate duplicates Z: 10 14.204 1.908 0.754 0.664 0.889 0.778 CB 1.367 10 residues pruned to eliminate duplicates Z: 24 20.044 2.058 0.635 0.423 0.913 0.696 CB 1.473 25 residues pruned to eliminate duplicates Z: 11 15.829 1.892 0.634 0.768 1.000 0.800 CA 1.276 11 residues pruned to eliminate duplicates Z: 12 10.363 1.739 0.387 0.796 0.909 0.727 CA 1.100 11 residues pruned to eliminate duplicates Z: 11 16.696 1.881 0.744 0.815 1.000 0.500 CA 1.224 11 residues pruned to eliminate duplicates Z: 10 17.598 2.014 0.692 0.812 1.000 0.667 CA 1.312 11 residues pruned to eliminate duplicates Z: 12 12.746 1.680 0.536 0.803 1.000 0.727 CA 1.143 12 residues pruned to eliminate duplicates Z: 19 22.679 2.121 0.764 0.454 0.944 0.778 CB 1.587 19 residues pruned to eliminate duplicates Z: 19 23.986 2.115 0.879 0.464 0.944 0.833 CB 1.562 19 residues pruned to eliminate duplicates Z: 17 27.884 2.221 0.879 0.514 1.000 0.812 CB 1.646 19 residues pruned to eliminate duplicates Z: 6 6.715 1.854 0.495 0.373 1.000 0.400 CA 1.240 6 residues pruned to eliminate duplicates Z: 22 22.297 2.062 0.804 0.385 0.952 0.476 CB 1.552 22 residues pruned to eliminate duplicates Z: 20 21.418 2.112 0.756 0.413 0.947 0.789 CB 1.531 20 residues pruned to eliminate duplicates Z: 24 20.308 1.991 0.669 0.382 0.957 0.609 CB 1.511 24 residues pruned to eliminate duplicates Z: 15 11.309 1.849 0.093 0.927 1.000 1.000 CB 1.048 15 residues pruned to eliminate duplicates Z: 19 12.158 1.655 0.312 0.773 1.000 0.833 CB 1.037 19 residues pruned to eliminate duplicates Z: 16 12.454 1.861 0.061 0.919 1.000 0.933 CB 1.148 16 residues pruned to eliminate duplicates Z: 17 15.299 1.792 0.369 0.918 1.000 0.812 CB 1.099 17 residues pruned to eliminate duplicates Z: 17 15.758 1.786 0.488 0.864 1.000 0.875 CB 1.086 17 residues pruned to eliminate duplicates Z: 16 16.510 1.853 0.453 0.937 1.000 0.933 CB 1.102 16 residues pruned to eliminate duplicates Z: 16 14.734 1.781 0.435 0.873 1.000 0.867 CB 1.084 16 residues pruned to eliminate duplicates Z: 16 15.759 1.846 0.383 0.932 1.000 0.667 CB 1.113 16 residues pruned to eliminate duplicates Z: 16 13.632 1.791 0.381 0.868 1.000 0.733 CB 1.040 16 residues pruned to eliminate duplicates Z: 16 16.627 1.849 0.497 0.928 1.000 0.733 CB 1.086 16 residues pruned to eliminate duplicates Z: 16 17.156 1.854 0.523 0.922 1.000 0.867 CB 1.103 16 residues pruned to eliminate duplicates Z: 16 18.937 1.851 0.660 0.931 1.000 1.000 CB 1.112 16 residues pruned to eliminate duplicates Z: 16 16.745 1.736 0.726 0.922 1.000 0.867 CB 1.015 16 residues pruned to eliminate duplicates Z: 17 15.013 1.727 0.626 0.865 1.000 0.625 CB 0.980 17 residues pruned to eliminate duplicates Z: 17 15.380 1.738 0.594 0.893 0.938 0.688 CB 1.062 17 residues pruned to eliminate duplicates Z: 29 48.343 2.387 0.912 0.624 1.000 0.821 CB 1.780 29 residues pruned to eliminate duplicates Z: 30 34.460 2.279 0.788 0.557 0.897 0.690 CB 1.658 30 residues pruned to eliminate duplicates Z: 30 48.391 2.351 0.898 0.607 1.000 0.793 CB 1.818 30 residues pruned to eliminate duplicates Z: 18 33.012 2.333 0.854 0.710 0.941 0.706 CB 1.626 18 residues pruned to eliminate duplicates Z: 30 45.403 2.387 0.857 0.578 0.966 0.724 CA 1.827 30 residues pruned to eliminate duplicates Z: 32 33.460 2.171 0.926 0.550 0.839 0.613 CB 1.631 32 residues pruned to eliminate duplicates Z: 18 34.177 2.413 1.053 0.727 0.824 0.765 CB 1.656 18 residues pruned to eliminate duplicates Z: 19 36.354 2.331 0.990 0.674 0.944 0.722 CB 1.666 19 residues pruned to eliminate duplicates Z: 30 45.874 2.342 0.931 0.599 0.966 0.793 CA 1.775 30 residues pruned to eliminate duplicates Z: 29 53.302 2.436 0.926 0.686 1.000 0.750 CB 1.811 30 residues pruned to eliminate duplicates Z: 16 53.280 2.508 1.229 0.797 1.000 0.800 CB 1.897 16 residues pruned to eliminate duplicates Z: 31 44.754 2.334 0.832 0.635 0.967 0.667 CB 1.742 31 residues pruned to eliminate duplicates Z: 36 34.429 2.217 0.843 0.526 0.857 0.686 CB 1.619 36 residues pruned to eliminate duplicates Z: 31 43.803 2.332 0.832 0.612 1.000 0.733 CB 1.683 31 residues pruned to eliminate duplicates Z: 30 39.969 2.355 0.717 0.584 0.931 0.759 CA 1.819 30 residues pruned to eliminate duplicates Z: 30 44.091 2.365 0.857 0.576 0.966 0.724 CA 1.795 30 residues pruned to eliminate duplicates Z: 29 48.585 2.432 0.773 0.671 1.000 0.786 CB 1.818 29 residues pruned to eliminate duplicates Z: 6 6.071 2.110 -0.186 0.412 1.000 0.800 C 1.734 6 residues pruned to eliminate duplicates Z: 31 46.759 2.354 0.895 0.625 1.000 0.800 CB 1.701 31 residues pruned to eliminate duplicates Z: 29 44.652 2.403 1.012 0.580 0.929 0.714 CB 1.740 29 residues pruned to eliminate duplicates Z: 30 44.304 2.343 0.834 0.579 1.000 0.724 CB 1.775 30 residues pruned to eliminate duplicates Z: 30 44.669 2.335 0.963 0.561 0.966 0.793 CA 1.767 30 residues pruned to eliminate duplicates Z: 21 16.551 2.086 0.578 0.262 0.900 0.350 CB 1.640 21 residues pruned to eliminate duplicates Z: 15 17.400 2.062 0.834 0.475 0.857 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 67 46.198 2.127 0.714 0.616 0.939 0.621 CB 1.488 67 residues pruned to eliminate duplicates Z: 18 14.783 1.966 0.589 0.441 0.882 0.529 CB 1.383 18 residues pruned to eliminate duplicates Z: 17 20.155 1.994 0.798 0.540 0.938 0.625 CB 1.441 17 residues pruned to eliminate duplicates Z: 8 4.698 1.840 0.131 0.347 0.857 0.857 CA 1.175 8 residues pruned to eliminate duplicates Z: 18 16.459 1.956 0.646 0.439 0.941 0.471 CB 1.404 18 residues pruned to eliminate duplicates Z: 17 18.121 2.055 0.728 0.466 0.875 0.750 CB 1.510 18 residues pruned to eliminate duplicates Z: 6 2.218 1.252 0.816 0.339 0.600 0.200 CA 0.867 6 residues pruned to eliminate duplicates Z: 26 27.132 2.132 0.774 0.575 0.920 0.600 CB 1.451 42 residues pruned to eliminate duplicates Z: 15 19.319 2.090 0.803 0.526 0.929 0.714 CB 1.438 Z: 8 5.259 1.583 0.755 0.415 0.857 0.571 CA 0.912 8 residues pruned to eliminate duplicates Z: 15 19.605 2.133 0.704 0.441 0.929 0.714 CB 1.650 15 residues pruned to eliminate duplicates Z: 17 16.818 1.979 0.629 0.365 1.000 0.688 CA 1.507 17 residues pruned to eliminate duplicates Z: 14 18.147 2.246 0.624 0.384 0.923 0.769 CB 1.691 14 residues pruned to eliminate duplicates Z: 20 21.832 1.981 0.773 0.521 0.947 0.684 CA 1.475 20 residues pruned to eliminate duplicates Z: 20 21.406 1.958 0.810 0.535 0.947 0.632 CB 1.413 20 residues pruned to eliminate duplicates Z: 20 20.926 1.997 0.661 0.495 1.000 0.632 CB 1.454 20 residues pruned to eliminate duplicates Z: 19 26.026 2.051 0.812 0.572 1.000 0.722 CB 1.540 19 residues pruned to eliminate duplicates Z: 8 14.280 1.839 0.763 0.873 1.000 0.714 CA 1.213 8 residues pruned to eliminate duplicates Z: 20 21.140 1.967 0.750 0.515 0.947 0.579 CB 1.466 20 residues pruned to eliminate duplicates Z: 20 22.691 1.949 0.802 0.538 1.000 0.684 CB 1.427 20 residues pruned to eliminate duplicates Z: 20 21.116 1.972 0.806 0.538 0.947 0.632 CB 1.383 20 residues pruned to eliminate duplicates Z: 19 25.878 2.064 0.864 0.561 1.000 0.778 CB 1.494 19 residues pruned to eliminate duplicates Z: 7 9.784 1.866 0.719 0.492 0.833 0.667 CA 1.507 7 residues pruned to eliminate duplicates Z: 20 23.925 1.969 0.827 0.582 1.000 0.684 CB 1.409 20 residues pruned to eliminate duplicates Z: 21 21.943 1.949 0.787 0.513 1.000 0.600 CB 1.390 21 residues pruned to eliminate duplicates Z: 21 20.798 1.908 0.794 0.498 1.000 0.650 CB 1.362 19 residues pruned to eliminate duplicates Z: 15 25.359 2.066 0.511 0.940 1.000 0.857 CB 1.507 15 residues pruned to eliminate duplicates Z: 16 23.455 1.996 0.518 0.880 1.000 0.800 CB 1.449 16 residues pruned to eliminate duplicates Z: 16 28.574 2.020 0.615 0.937 1.000 0.867 CA 1.574 16 residues pruned to eliminate duplicates Z: 17 27.538 2.007 0.604 0.929 1.000 0.812 CB 1.497 17 residues pruned to eliminate duplicates Z: 16 27.587 1.964 0.628 0.935 1.000 0.733 CB 1.552 16 residues pruned to eliminate duplicates Z: 16 26.668 2.017 0.534 0.934 1.000 0.533 CB 1.552 16 residues pruned to eliminate duplicates Z: 16 27.470 2.019 0.576 0.939 1.000 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 16 26.681 2.073 0.538 0.940 1.000 0.533 CB 1.500 16 residues pruned to eliminate duplicates Z: 17 25.667 1.880 0.810 0.888 0.938 0.625 CB 1.450 17 residues pruned to eliminate duplicates Z: 17 28.335 2.012 0.678 0.933 1.000 0.750 CB 1.464 17 residues pruned to eliminate duplicates Z: 16 28.549 2.070 0.751 0.937 0.933 0.733 CB 1.516 16 residues pruned to eliminate duplicates Z: 15 29.508 2.074 0.694 0.929 1.000 0.643 CB 1.571 15 residues pruned to eliminate duplicates Z: 17 29.104 1.993 0.740 0.945 1.000 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 16 25.485 1.937 0.917 0.814 0.933 0.400 CB 1.445 16 residues pruned to eliminate duplicates Z: 30 27.606 1.977 0.806 0.611 0.931 0.483 CB 1.387 29 residues pruned to eliminate duplicates Z: 6 4.317 1.533 0.134 0.434 1.000 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 47 39.562 2.292 0.667 0.548 0.957 0.652 CB 1.522 47 residues pruned to eliminate duplicates Z: 36 44.880 2.331 0.686 0.705 0.971 0.800 CB 1.649 36 residues pruned to eliminate duplicates Z: 41 39.459 2.288 0.598 0.634 0.925 0.600 CB 1.627 41 residues pruned to eliminate duplicates Z: 46 41.379 2.284 0.651 0.581 0.956 0.644 CB 1.584 46 residues pruned to eliminate duplicates Z: 40 40.041 2.297 0.629 0.621 0.923 0.692 CB 1.656 40 residues pruned to eliminate duplicates Z: 38 41.684 2.339 0.709 0.638 0.919 0.649 CB 1.639 38 residues pruned to eliminate duplicates Z: 60 37.339 2.206 0.538 0.528 0.949 0.644 CB 1.469 68 residues pruned to eliminate duplicates Z: 6 2.702 1.650 0.281 0.330 0.600 0.600 C 1.148 6 residues pruned to eliminate duplicates Z: 11 14.182 1.941 0.550 0.573 0.900 0.600 CA 1.543 11 residues pruned to eliminate duplicates Z: 21 29.514 2.433 0.804 0.438 0.900 0.550 CB 1.781 21 residues pruned to eliminate duplicates Z: 26 32.849 2.438 0.891 0.453 0.840 0.440 CB 1.779 26 residues pruned to eliminate duplicates Z: 34 39.853 2.322 0.848 0.484 0.909 0.455 CA 1.806 34 residues pruned to eliminate duplicates Z: 8 7.208 1.958 0.255 0.498 0.857 0.286 CA 1.295 8 residues pruned to eliminate duplicates Z: 30 28.284 2.257 0.836 0.353 0.897 0.379 CB 1.658 30 residues pruned to eliminate duplicates Z: 24 39.219 2.506 0.932 0.474 0.870 0.391 CB 1.994 24 residues pruned to eliminate duplicates Z: 32 33.424 2.374 0.724 0.446 0.935 0.419 CB 1.657 33 residues pruned to eliminate duplicates Z: 8 12.378 1.922 1.006 0.457 0.857 0.571 C 1.480 8 residues pruned to eliminate duplicates Z: 29 39.999 2.446 0.977 0.464 0.893 0.464 CB 1.816 29 residues pruned to eliminate duplicates Z: 29 34.810 2.444 0.848 0.454 0.857 0.536 CB 1.781 29 residues pruned to eliminate duplicates Z: 43 37.949 2.282 0.937 0.464 0.881 0.571 CB 1.561 43 residues pruned to eliminate duplicates Z: 25 30.104 2.502 0.806 0.371 0.875 0.458 CB 1.784 25 residues pruned to eliminate duplicates Z: 29 28.583 2.403 0.719 0.402 0.857 0.429 CB 1.691 29 residues pruned to eliminate duplicates Z: 27 13.393 2.089 0.584 0.302 0.769 0.308 CB 1.288 27 residues pruned to eliminate duplicates Z: 31 32.020 2.370 0.784 0.422 0.833 0.433 CB 1.799 31 residues pruned to eliminate duplicates Z: 24 38.497 2.511 0.885 0.482 0.870 0.348 CA 1.987 24 residues pruned to eliminate duplicates Z: 42 29.447 2.136 0.954 0.443 0.829 0.488 CB 1.409 42 residues pruned to eliminate duplicates Z: 68 44.204 2.143 0.869 0.580 0.910 0.507 CB 1.371 68 residues pruned to eliminate duplicates Z: 74 45.536 2.126 0.858 0.566 0.932 0.562 CB 1.359 74 residues pruned to eliminate duplicates Z: 34 31.401 2.116 1.099 0.463 0.879 0.515 CB 1.455 34 residues pruned to eliminate duplicates Z: 73 47.035 2.151 0.883 0.563 0.917 0.556 CB 1.404 73 residues pruned to eliminate duplicates Z: 35 30.709 2.210 0.905 0.484 0.853 0.500 CB 1.490 35 residues pruned to eliminate duplicates Z: 73 46.626 2.148 0.873 0.553 0.931 0.542 CB 1.394 73 residues pruned to eliminate duplicates Z: 36 28.635 2.148 0.788 0.479 0.857 0.457 CB 1.501 36 residues pruned to eliminate duplicates Z: 27 29.705 2.138 0.851 0.589 0.923 0.615 CB 1.465 27 residues pruned to eliminate duplicates Z: 47 33.381 2.132 0.984 0.459 0.848 0.478 CB 1.432 47 residues pruned to eliminate duplicates Z: 73 46.766 2.155 0.886 0.585 0.917 0.556 CB 1.363 73 residues pruned to eliminate duplicates Z: 24 21.475 1.985 0.852 0.549 0.826 0.478 CB 1.405 24 residues pruned to eliminate duplicates Z: 89 54.293 2.198 0.930 0.553 0.920 0.614 CB 1.407 89 residues pruned to eliminate duplicates Z: 65 37.362 2.103 0.803 0.496 0.906 0.516 CB 1.365 65 residues pruned to eliminate duplicates Z: 45 33.018 2.165 1.003 0.448 0.841 0.568 CB 1.440 45 residues pruned to eliminate duplicates Z: 82 48.290 2.152 0.901 0.533 0.877 0.617 CB 1.449 82 residues pruned to eliminate duplicates Z: 42 29.904 2.119 0.958 0.461 0.854 0.488 CB 1.372 42 residues pruned to eliminate duplicates Z: 39 36.074 2.193 1.082 0.477 0.895 0.421 CB 1.466 39 residues pruned to eliminate duplicates Z: 73 44.884 2.161 0.793 0.546 0.931 0.556 CB 1.403 73 residues pruned to eliminate duplicates Z: 71 45.064 2.137 0.798 0.553 0.943 0.629 CB 1.412 71 residues pruned to eliminate duplicates Z: 52 42.695 2.159 0.894 0.581 0.941 0.510 CB 1.437 52 residues pruned to eliminate duplicates Z: 73 48.785 2.157 0.893 0.559 0.931 0.542 CB 1.428 73 residues pruned to eliminate duplicates Z: 43 31.749 2.099 1.084 0.479 0.833 0.500 CB 1.373 43 residues pruned to eliminate duplicates Z: 39 30.704 2.174 0.919 0.452 0.816 0.526 CB 1.537 39 residues pruned to eliminate duplicates Z: 28 29.054 2.215 0.873 0.539 0.852 0.481 CB 1.523 28 residues pruned to eliminate duplicates Z: 31 26.090 2.120 0.890 0.513 0.833 0.467 CB 1.409 31 residues pruned to eliminate duplicates Z: 29 29.407 2.147 0.895 0.557 0.893 0.464 CB 1.447 29 residues pruned to eliminate duplicates Z: 14 9.532 1.993 0.585 0.582 0.923 0.692 CB 0.838 14 residues pruned to eliminate duplicates Z: 14 11.466 2.023 0.730 0.644 0.846 0.615 CB 0.939 14 residues pruned to eliminate duplicates Z: 15 11.241 2.031 0.408 0.579 0.857 0.643 CB 1.136 15 residues pruned to eliminate duplicates Z: 6 3.884 1.316 0.758 0.464 1.000 0.800 N 0.780 6 residues pruned to eliminate duplicates Z: 11 11.957 2.096 0.821 0.764 1.000 0.700 CB 0.784 11 residues pruned to eliminate duplicates Z: 11 10.468 2.090 0.737 0.730 0.900 0.800 CB 0.823 11 residues pruned to eliminate duplicates Z: 45 31.995 2.103 0.821 0.508 0.909 0.591 CB 1.374 45 residues pruned to eliminate duplicates Z: 43 39.049 2.320 0.753 0.647 0.881 0.571 CB 1.466 43 residues pruned to eliminate duplicates Z: 9 7.181 2.152 0.425 0.242 0.750 0.500 CB 1.489 9 residues pruned to eliminate duplicates Z: 31 42.147 2.384 0.796 0.630 0.933 0.567 CB 1.705 31 residues pruned to eliminate duplicates Z: 83 58.623 2.338 0.727 0.622 0.915 0.585 CB 1.561 83 residues pruned to eliminate duplicates Z: 40 43.209 2.343 0.774 0.677 0.949 0.667 CB 1.491 44 residues pruned to eliminate duplicates Z: 14 27.802 2.337 0.600 0.646 1.000 0.692 CB 1.800 14 residues pruned to eliminate duplicates Z: 24 49.225 2.427 0.945 0.761 0.913 0.783 CB 1.889 24 residues pruned to eliminate duplicates Z: 31 43.602 2.369 0.715 0.592 1.000 0.633 CB 1.795 31 residues pruned to eliminate duplicates Z: 85 55.125 2.325 0.643 0.612 0.929 0.607 CB 1.525 85 residues pruned to eliminate duplicates Z: 21 52.322 2.447 0.983 0.834 1.000 0.700 CB 1.808 21 residues pruned to eliminate duplicates Z: 73 63.480 2.379 0.772 0.657 0.944 0.694 CB 1.625 73 residues pruned to eliminate duplicates Z: 95 65.868 2.276 0.843 0.634 0.904 0.628 CB 1.579 95 residues pruned to eliminate duplicates Z: 29 46.253 2.382 0.874 0.659 0.964 0.643 CB 1.752 29 residues pruned to eliminate duplicates Z: 30 43.947 2.367 0.788 0.636 0.966 0.621 CB 1.758 30 residues pruned to eliminate duplicates Z: 20 52.392 2.435 1.024 0.833 1.000 0.684 CB 1.829 20 residues pruned to eliminate duplicates Z: 101 72.948 2.333 0.802 0.654 0.930 0.650 CB 1.616 101 residues pruned to eliminate duplicates Z: 30 44.123 2.386 0.785 0.600 1.000 0.621 CB 1.749 30 residues pruned to eliminate duplicates Z: 109 71.145 2.296 0.715 0.647 0.944 0.639 CB 1.605 109 residues pruned to eliminate duplicates Z: 33 40.927 2.329 0.810 0.578 0.938 0.625 CB 1.698 33 residues pruned to eliminate duplicates Z: 23 47.247 2.470 0.882 0.747 0.955 0.773 CB 1.821 23 residues pruned to eliminate duplicates Z: 41 41.842 2.295 0.761 0.606 0.975 0.675 CB 1.519 40 residues pruned to eliminate duplicates Z: 21 52.206 2.479 0.866 0.915 0.950 0.750 CB 1.877 21 residues pruned to eliminate duplicates Z: 24 48.390 2.417 0.896 0.764 0.913 0.652 CA 1.908 24 residues pruned to eliminate duplicates Z: 32 35.820 2.365 0.627 0.591 0.968 0.548 CB 1.584 32 residues pruned to eliminate duplicates Z: 58 50.096 2.350 0.718 0.601 0.947 0.614 CB 1.576 58 residues pruned to eliminate duplicates Z: 78 55.635 2.348 0.632 0.623 0.935 0.636 CB 1.575 78 residues pruned to eliminate duplicates Z: 47 44.813 2.325 0.768 0.628 0.957 0.761 CB 1.490 75 residues pruned to eliminate duplicates Z: 88 54.237 2.253 0.651 0.616 0.920 0.678 CB 1.523 94 residues pruned to eliminate duplicates Z: 66 43.487 2.285 0.705 0.553 0.877 0.554 CB 1.499 66 residues pruned to eliminate duplicates Z: 53 40.568 2.317 0.569 0.617 0.923 0.615 CB 1.501 53 residues pruned to eliminate duplicates Z: 93 60.696 2.345 0.716 0.588 0.913 0.609 CB 1.583 93 residues pruned to eliminate duplicates Z: 82 58.299 2.353 0.646 0.613 0.963 0.654 CB 1.561 82 residues pruned to eliminate duplicates Z: 44 49.320 2.333 0.679 0.718 0.930 0.674 CB 1.695 44 residues pruned to eliminate duplicates Z: 60 49.402 2.305 0.635 0.675 0.966 0.695 CB 1.503 61 residues pruned to eliminate duplicates Z: 17 21.149 2.004 0.443 0.862 1.000 0.750 CB 1.342 17 residues pruned to eliminate duplicates Z: 102 65.628 2.285 0.769 0.639 0.911 0.634 CB 1.557 102 residues pruned to eliminate duplicates Z: 88 59.001 2.349 0.630 0.631 0.966 0.655 CB 1.513 88 residues pruned to eliminate duplicates Z: 122 64.457 2.270 0.641 0.594 0.950 0.653 CB 1.512 183 residues pruned to eliminate duplicates Z: 17 23.575 2.030 0.601 0.889 0.938 0.812 CB 1.393 17 residues pruned to eliminate duplicates Z: 73 61.490 2.375 0.722 0.663 0.944 0.694 CB 1.613 73 residues pruned to eliminate duplicates Z: 81 59.766 2.342 0.700 0.609 0.950 0.562 CB 1.593 81 residues pruned to eliminate duplicates Z: 83 54.814 2.286 0.686 0.631 0.915 0.671 CB 1.518 83 residues pruned to eliminate duplicates Z: 36 40.673 2.366 0.636 0.666 0.971 0.629 CB 1.567 36 residues pruned to eliminate duplicates Z: 37 44.610 2.405 0.807 0.676 0.944 0.722 CB 1.540 37 residues pruned to eliminate duplicates Z: 53 44.430 2.357 0.624 0.617 0.942 0.654 CB 1.529 53 residues pruned to eliminate duplicates Z: 32 34.206 2.364 0.593 0.644 0.935 0.742 CB 1.525 32 residues pruned to eliminate duplicates Z: 33 34.771 2.355 0.748 0.636 0.906 0.625 CB 1.450 33 residues pruned to eliminate duplicates Z: 31 38.245 2.347 0.744 0.642 1.000 0.700 CB 1.493 31 residues pruned to eliminate duplicates Z: 49 50.079 2.362 0.734 0.688 0.958 0.729 CB 1.550 49 residues pruned to eliminate duplicates Z: 47 49.513 2.358 0.735 0.664 0.978 0.674 CB 1.567 47 residues pruned to eliminate duplicates Z: 92 64.066 2.352 0.717 0.592 0.956 0.648 CB 1.592 92 residues pruned to eliminate duplicates Z: 73 60.846 2.376 0.780 0.650 0.931 0.708 CB 1.585 73 residues pruned to eliminate duplicates Z: 63 49.208 2.339 0.692 0.633 0.919 0.694 CB 1.516 63 residues pruned to eliminate duplicates Z: 120 64.781 2.274 0.748 0.594 0.908 0.655 CB 1.504 120 residues pruned to eliminate duplicates Z: 31 29.533 2.117 0.674 0.595 0.933 0.700 CB 1.489 31 residues pruned to eliminate duplicates Z: 58 40.329 2.127 0.814 0.570 0.877 0.684 CB 1.476 58 residues pruned to eliminate duplicates Z: 73 66.855 2.390 0.804 0.669 0.972 0.708 CB 1.608 73 residues pruned to eliminate duplicates Z: 37 40.224 2.320 0.798 0.579 0.917 0.694 CB 1.625 37 residues pruned to eliminate duplicates Z: 68 47.876 2.265 0.758 0.556 0.925 0.567 CB 1.504 68 residues pruned to eliminate duplicates Z: 80 59.268 2.338 0.733 0.620 0.949 0.658 CB 1.548 80 residues pruned to eliminate duplicates Z: 60 57.311 2.385 0.778 0.664 0.949 0.712 CB 1.593 60 residues pruned to eliminate duplicates Z: 27 31.756 2.262 0.900 0.573 0.923 0.538 CB 1.464 27 residues pruned to eliminate duplicates Z: 93 65.404 2.339 0.791 0.601 0.924 0.663 CB 1.601 93 residues pruned to eliminate duplicates Z: 73 70.790 2.387 0.879 0.672 0.972 0.667 CB 1.631 73 residues pruned to eliminate duplicates Z: 71 50.524 2.271 0.767 0.597 0.914 0.600 CB 1.500 71 residues pruned to eliminate duplicates Z: 70 64.766 2.367 0.881 0.690 0.942 0.710 CB 1.561 70 residues pruned to eliminate duplicates Z: 85 58.668 2.283 0.868 0.608 0.905 0.619 CB 1.498 85 residues pruned to eliminate duplicates Z: 54 49.471 2.330 0.802 0.619 0.981 0.547 CB 1.475 54 residues pruned to eliminate duplicates Z: 25 40.625 2.271 1.024 0.680 0.917 0.458 CB 1.669 25 residues pruned to eliminate duplicates Z: 79 58.130 2.300 0.784 0.611 0.962 0.615 CB 1.501 79 residues pruned to eliminate duplicates Z: 26 31.878 2.304 0.904 0.624 0.880 0.520 CB 1.469 26 residues pruned to eliminate duplicates Z: 84 54.288 2.233 0.846 0.621 0.892 0.554 CB 1.447 84 residues pruned to eliminate duplicates Z: 85 54.957 2.307 0.755 0.584 0.905 0.595 CB 1.511 85 residues pruned to eliminate duplicates Z: 36 27.553 2.076 0.707 0.611 0.829 0.686 CB 1.428 36 residues pruned to eliminate duplicates Z: 40 28.600 2.055 0.662 0.560 0.897 0.564 CB 1.409 40 residues pruned to eliminate duplicates Z: 17 18.640 2.133 0.792 0.464 0.812 0.625 CB 1.556 17 residues pruned to eliminate duplicates Z: 18 18.105 2.125 0.769 0.459 0.824 0.529 CB 1.479 18 residues pruned to eliminate duplicates Z: 17 21.062 2.145 0.868 0.462 0.938 0.562 CB 1.457 17 residues pruned to eliminate duplicates Z: 18 23.760 2.054 0.958 0.459 0.882 0.529 CA 1.694 18 residues pruned to eliminate duplicates Z: 17 25.043 2.125 1.209 0.467 0.875 0.562 CB 1.577 17 residues pruned to eliminate duplicates Z: 108 66.359 2.257 0.755 0.620 0.944 0.607 CB 1.531 108 residues pruned to eliminate duplicates Z: 30 33.300 2.080 0.947 0.608 0.897 0.621 CB 1.537 30 residues pruned to eliminate duplicates Z: 39 29.150 2.078 0.882 0.500 0.816 0.500 CB 1.482 39 residues pruned to eliminate duplicates Z: 28 35.360 2.173 0.851 0.656 0.889 0.667 CB 1.645 28 residues pruned to eliminate duplicates Z: 18 21.132 2.058 0.969 0.430 0.824 0.412 CB 1.652 18 residues pruned to eliminate duplicates Z: 103 62.428 2.274 0.779 0.594 0.931 0.676 CB 1.500 103 residues pruned to eliminate duplicates Z: 32 33.706 2.130 0.945 0.625 0.871 0.710 CB 1.491 32 residues pruned to eliminate duplicates Z: 32 36.189 2.067 0.866 0.653 0.935 0.710 CB 1.561 32 residues pruned to eliminate duplicates Z: 50 41.776 2.203 0.822 0.608 0.898 0.653 CB 1.495 31 residues pruned to eliminate duplicates Z: 16 30.236 2.024 0.776 0.921 1.000 0.933 CB 1.529 16 residues pruned to eliminate duplicates Z: 53 52.254 2.191 0.952 0.674 0.885 0.519 CB 1.631 53 residues pruned to eliminate duplicates Z: 18 25.834 1.890 0.676 0.911 0.941 0.882 CA 1.489 18 residues pruned to eliminate duplicates Z: 31 26.935 2.021 0.840 0.550 0.900 0.700 CB 1.399 31 residues pruned to eliminate duplicates Z: 31 34.220 2.042 0.955 0.641 0.900 0.700 CB 1.524 31 residues pruned to eliminate duplicates Z: 16 32.927 2.052 0.886 0.927 1.000 0.800 CB 1.540 16 residues pruned to eliminate duplicates Z: 16 27.433 2.069 1.060 0.753 0.867 0.800 CB 1.531 16 residues pruned to eliminate duplicates Z: 40 30.968 2.036 0.803 0.601 0.846 0.615 CB 1.450 40 residues pruned to eliminate duplicates Z: 32 38.462 2.118 1.064 0.633 0.871 0.613 CB 1.601 32 residues pruned to eliminate duplicates Z: 16 30.466 2.044 1.020 0.868 0.933 0.667 CB 1.493 16 residues pruned to eliminate duplicates Z: 109 74.000 2.295 0.816 0.637 0.954 0.583 CB 1.575 109 residues pruned to eliminate duplicates Z: 17 27.361 1.971 0.995 0.863 0.938 0.625 CB 1.361 17 residues pruned to eliminate duplicates Z: 31 36.222 2.103 1.056 0.613 0.933 0.500 CB 1.473 31 residues pruned to eliminate duplicates Z: 65 40.969 2.165 0.743 0.528 0.906 0.438 CB 1.456 65 residues pruned to eliminate duplicates Z: 111 60.483 2.202 0.847 0.563 0.891 0.618 CB 1.497 111 residues pruned to eliminate duplicates Z: 23 24.141 1.937 0.890 0.631 0.909 0.455 CB 1.368 23 residues pruned to eliminate duplicates Z: 7 10.318 2.063 0.313 0.538 1.000 0.833 CB 1.498 7 residues pruned to eliminate duplicates Z: 10 5.982 1.742 0.370 0.354 0.778 0.444 CB 1.258 10 residues pruned to eliminate duplicates Z: 19 32.232 2.447 0.683 0.588 0.944 0.722 CB 1.795 19 residues pruned to eliminate duplicates Z: 32 31.590 2.268 0.708 0.557 0.935 0.613 CB 1.482 32 residues pruned to eliminate duplicates Z: 30 30.433 2.308 0.761 0.461 0.862 0.517 CB 1.678 30 residues pruned to eliminate duplicates Z: 30 32.014 2.373 0.785 0.557 0.862 0.655 CB 1.539 30 residues pruned to eliminate duplicates Z: 34 30.065 2.230 0.722 0.495 0.909 0.545 CB 1.508 34 residues pruned to eliminate duplicates Z: 36 32.710 2.212 0.851 0.447 0.886 0.686 CB 1.609 57 residues pruned to eliminate duplicates Z: 30 35.776 2.394 0.846 0.551 0.897 0.655 CB 1.595 30 residues pruned to eliminate duplicates Z: 33 29.908 2.235 0.706 0.528 0.875 0.562 CB 1.541 33 residues pruned to eliminate duplicates Z: 28 31.247 2.372 0.805 0.451 0.852 0.667 CB 1.733 28 residues pruned to eliminate duplicates Z: 30 29.242 2.333 0.776 0.497 0.862 0.586 CB 1.526 30 residues pruned to eliminate duplicates Z: 33 33.218 2.297 0.718 0.511 0.906 0.719 CB 1.623 33 residues pruned to eliminate duplicates Z: 23 34.202 2.428 0.816 0.593 0.864 0.636 CB 1.752 23 residues pruned to eliminate duplicates Z: 40 30.419 2.130 0.826 0.378 0.897 0.513 CB 1.590 40 residues pruned to eliminate duplicates Z: 28 27.621 2.323 0.722 0.529 0.889 0.593 CB 1.453 28 residues pruned to eliminate duplicates Z: 31 32.855 2.327 0.919 0.483 0.900 0.633 CB 1.518 31 residues pruned to eliminate duplicates Z: 17 28.960 2.498 0.772 0.507 0.875 0.625 CB 1.856 17 residues pruned to eliminate duplicates Z: 18 32.019 2.412 0.865 0.559 0.882 0.647 CA 1.847 18 residues pruned to eliminate duplicates Z: 28 29.938 2.290 0.952 0.443 0.852 0.593 CB 1.604 28 residues pruned to eliminate duplicates 621 residues left after pruning, divided into chains as follows: A: 8 B: 6 C: 6 D: 11 E: 113 F: 211 G: 17 H: 16 I: 11 J: 29 K: 22 L: 171 CC for partial structure against native data = 34.81 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.500, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.573, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.692, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.705, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 0.711, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.717, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.720, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.723, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.725, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4524 peaks > 0.5 sigma used to seed fragment search Space for about 1045 unique residues taking solvent into account 1054 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 40 34.212 2.374 0.814 0.388 0.821 0.513 CB 1.745 B: 10 30.818 2.470 0.863 0.835 0.889 0.667 CA 1.882 C: 16 32.579 2.287 0.789 0.749 1.000 0.533 CB 1.646 D: 11 26.120 2.415 0.657 0.813 0.900 0.700 CB 1.747 10 residues pruned to eliminate duplicates E: 16 36.772 2.373 0.727 0.856 1.000 0.867 CA 1.708 F: 21 54.888 2.478 0.901 0.930 0.950 0.800 CB 1.918 G: 11 27.005 2.464 0.652 0.822 0.900 0.800 CA 1.763 11 residues pruned to eliminate duplicates H: 38 53.512 2.391 0.736 0.867 0.892 0.649 CB 1.737 21 residues pruned to eliminate duplicates I: 15 34.617 2.292 0.952 0.931 1.000 0.643 CB 1.446 J: 38 30.930 2.142 0.723 0.616 0.865 0.649 CB 1.428 K: 27 44.542 2.423 0.732 0.812 0.923 0.538 CB 1.718 27 residues pruned to eliminate duplicates L: 10 30.514 2.593 0.697 0.816 0.889 0.778 CB 1.976 M: 11 24.579 2.294 0.688 0.868 1.000 0.900 CB 1.468 11 residues pruned to eliminate duplicates N: 22 28.325 2.343 0.688 0.513 0.905 0.476 CB 1.705 21 residues pruned to eliminate duplicates O: 13 22.821 2.286 0.801 0.745 0.833 0.500 CA 1.543 11 residues pruned to eliminate duplicates P: 23 48.169 2.503 0.675 0.897 0.955 0.773 CB 1.836 23 residues pruned to eliminate duplicates Q: 13 43.954 2.435 1.159 0.931 1.000 1.000 CB 1.687 14 residues pruned to eliminate duplicates R: 33 18.822 1.988 0.845 0.391 0.750 0.469 CB 1.357 33 residues pruned to eliminate duplicates S: 14 19.945 2.260 0.564 0.784 0.846 0.538 CB 1.440 14 residues pruned to eliminate duplicates T: 25 26.350 2.224 0.812 0.458 0.875 0.542 CB 1.592 24 residues pruned to eliminate duplicates U: 30 40.702 2.385 0.663 0.552 1.000 0.724 CB 1.810 12 residues pruned to eliminate duplicates V: 20 38.451 2.296 0.822 0.921 0.947 0.737 CB 1.566 W: 21 41.493 2.330 0.640 0.928 1.000 0.800 CA 1.700 21 residues pruned to eliminate duplicates X: 14 33.101 2.398 0.593 0.936 1.000 0.923 CB 1.673 14 residues pruned to eliminate duplicates Y: 90 62.287 2.264 0.904 0.634 0.899 0.652 CB 1.503 84 residues pruned to eliminate duplicates Z: 20 34.656 2.466 0.873 0.532 0.947 0.526 CB 1.760 11 residues pruned to eliminate duplicates Z: 11 24.597 2.224 0.812 0.820 0.900 0.700 CB 1.625 11 residues pruned to eliminate duplicates Z: 13 33.209 2.302 0.983 0.850 0.917 0.917 CA 1.697 13 residues pruned to eliminate duplicates Z: 21 43.463 2.530 0.669 0.909 0.950 0.800 CB 1.720 21 residues pruned to eliminate duplicates Z: 20 41.810 2.299 0.842 0.921 1.000 0.737 CB 1.594 20 residues pruned to eliminate duplicates Z: 14 52.978 2.546 1.115 0.918 1.000 0.846 CB 1.925 14 residues pruned to eliminate duplicates Z: 15 26.858 2.198 0.580 0.929 1.000 0.929 CB 1.447 14 residues pruned to eliminate duplicates Z: 27 38.250 2.490 0.637 0.538 0.923 0.731 CB 1.920 27 residues pruned to eliminate duplicates Z: 20 37.684 2.292 0.661 0.926 1.000 0.842 CB 1.593 20 residues pruned to eliminate duplicates Z: 10 22.501 2.586 0.506 0.858 0.889 0.556 CB 1.596 10 residues pruned to eliminate duplicates Z: 12 21.011 2.246 0.488 0.836 1.000 0.818 CB 1.419 12 residues pruned to eliminate duplicates Z: 9 19.610 2.166 0.722 0.677 0.875 0.625 CB 1.805 Z: 15 38.956 2.375 0.976 0.768 1.000 0.786 CA 1.750 15 residues pruned to eliminate duplicates Z: 25 43.232 2.528 0.963 0.508 0.917 0.583 CB 1.924 25 residues pruned to eliminate duplicates Z: 16 19.001 2.039 0.853 0.356 1.000 0.667 CB 1.516 Z: 44 31.534 2.129 0.673 0.593 0.860 0.651 CB 1.435 44 residues pruned to eliminate duplicates Z: 14 39.818 2.536 1.082 0.871 0.923 0.692 CB 1.652 14 residues pruned to eliminate duplicates Z: 47 36.582 2.286 0.780 0.423 0.913 0.587 CB 1.573 49 residues pruned to eliminate duplicates Z: 48 50.685 2.289 0.841 0.608 0.957 0.596 CB 1.653 48 residues pruned to eliminate duplicates Z: 8 36.321 2.725 0.713 0.913 1.000 0.857 CB 2.082 10 residues pruned to eliminate duplicates Z: 17 23.131 2.124 0.785 0.474 1.000 0.875 CA 1.566 Z: 18 24.005 2.189 0.904 0.516 0.882 0.471 CB 1.558 Z: 38 39.983 2.287 0.987 0.546 0.865 0.649 CB 1.600 39 residues pruned to eliminate duplicates Z: 13 31.052 2.232 0.957 0.823 1.000 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 30 30.766 2.384 0.669 0.451 0.862 0.517 CB 1.750 30 residues pruned to eliminate duplicates Z: 70 49.586 2.214 0.835 0.575 0.899 0.536 CB 1.521 70 residues pruned to eliminate duplicates Z: 28 25.568 2.284 0.799 0.418 0.852 0.444 CB 1.531 9 residues pruned to eliminate duplicates Z: 38 52.943 2.397 0.645 0.855 0.946 0.703 CB 1.722 38 residues pruned to eliminate duplicates Z: 16 30.338 2.191 0.883 0.816 0.933 0.533 CA 1.546 Z: 6 5.616 1.846 0.086 0.623 0.800 0.800 CA 1.394 6 residues pruned to eliminate duplicates Z: 13 36.902 2.442 0.785 0.932 1.000 1.000 CB 1.707 13 residues pruned to eliminate duplicates Z: 15 39.397 2.285 1.149 0.925 1.000 0.714 CB 1.505 15 residues pruned to eliminate duplicates Z: 37 38.500 2.087 0.865 0.861 0.944 0.722 CB 1.283 20 residues pruned to eliminate duplicates Z: 11 26.549 2.251 0.873 0.886 0.900 0.800 CB 1.597 11 residues pruned to eliminate duplicates Z: 15 39.326 2.410 0.955 0.922 0.929 0.857 CA 1.689 15 residues pruned to eliminate duplicates Z: 14 19.938 2.094 0.460 0.839 0.923 0.846 CA 1.464 Z: 17 13.303 2.134 0.702 0.315 0.812 0.500 CB 1.383 10 residues pruned to eliminate duplicates Z: 9 32.010 2.642 0.591 0.867 1.000 0.750 CA 1.970 9 residues pruned to eliminate duplicates Z: 15 27.933 2.254 0.585 0.925 1.000 0.857 CB 1.467 15 residues pruned to eliminate duplicates Z: 22 28.831 2.278 0.904 0.504 0.905 0.429 CB 1.597 22 residues pruned to eliminate duplicates Z: 11 21.290 2.125 0.594 0.873 1.000 1.000 CB 1.448 11 residues pruned to eliminate duplicates Z: 22 33.661 2.241 0.762 0.870 0.905 0.714 CB 1.500 22 residues pruned to eliminate duplicates Z: 12 11.812 2.239 0.437 0.362 0.909 0.455 CB 1.412 Z: 20 28.834 2.489 0.640 0.492 0.895 0.632 CA 1.825 20 residues pruned to eliminate duplicates Z: 22 28.490 2.419 0.745 0.369 0.952 0.381 CB 1.780 22 residues pruned to eliminate duplicates Z: 26 39.179 2.465 0.878 0.483 0.960 0.360 CB 1.794 26 residues pruned to eliminate duplicates Z: 16 32.179 2.297 0.852 0.783 0.933 0.667 CB 1.631 16 residues pruned to eliminate duplicates Z: 16 10.703 1.910 0.424 0.361 0.800 0.800 CB 1.475 16 residues pruned to eliminate duplicates Z: 58 35.212 2.195 0.605 0.497 0.860 0.632 CB 1.545 58 residues pruned to eliminate duplicates Z: 26 25.351 2.395 0.547 0.417 0.880 0.600 CB 1.695 26 residues pruned to eliminate duplicates Z: 27 33.549 2.410 0.870 0.411 0.885 0.500 CB 1.811 27 residues pruned to eliminate duplicates Z: 36 39.848 2.322 0.781 0.568 0.914 0.714 CB 1.668 25 residues pruned to eliminate duplicates Z: 16 31.824 2.205 0.882 0.817 1.000 0.933 CA 1.503 16 residues pruned to eliminate duplicates Z: 28 36.804 2.236 0.877 0.627 0.963 0.704 CB 1.555 Z: 17 27.618 2.041 0.731 0.920 0.938 0.750 CA 1.468 17 residues pruned to eliminate duplicates Z: 23 50.877 2.416 0.839 0.829 1.000 0.682 CB 1.837 23 residues pruned to eliminate duplicates Z: 21 48.583 2.432 0.754 0.931 1.000 0.850 CA 1.780 21 residues pruned to eliminate duplicates Z: 33 37.340 2.444 0.760 0.448 0.906 0.531 CB 1.786 33 residues pruned to eliminate duplicates Z: 16 32.715 2.296 0.871 0.793 0.933 0.600 CB 1.629 16 residues pruned to eliminate duplicates Z: 15 30.017 2.257 0.586 0.922 1.000 0.929 CB 1.576 15 residues pruned to eliminate duplicates Z: 26 40.104 2.487 0.874 0.494 0.960 0.480 CB 1.803 26 residues pruned to eliminate duplicates Z: 38 57.860 2.415 0.732 0.870 0.946 0.757 CB 1.754 38 residues pruned to eliminate duplicates Z: 15 35.834 2.265 1.004 0.833 1.000 0.643 CB 1.584 16 residues pruned to eliminate duplicates Z: 59 35.333 2.119 0.839 0.497 0.862 0.448 CB 1.386 59 residues pruned to eliminate duplicates Z: 17 15.987 2.179 0.463 0.482 0.875 0.438 CB 1.458 17 residues pruned to eliminate duplicates Z: 16 23.317 2.055 0.431 0.913 0.933 0.667 CB 1.553 Z: 18 27.588 2.055 0.677 0.903 0.941 0.824 CB 1.470 18 residues pruned to eliminate duplicates Z: 13 27.188 2.315 0.690 0.823 0.917 0.750 CB 1.653 13 residues pruned to eliminate duplicates Z: 17 21.628 1.971 0.279 0.925 1.000 0.875 CA 1.505 17 residues pruned to eliminate duplicates Z: 19 30.521 1.933 1.101 0.896 0.944 0.556 CB 1.343 19 residues pruned to eliminate duplicates Z: 12 31.849 2.616 0.531 0.771 1.000 0.636 CA 1.886 12 residues pruned to eliminate duplicates Z: 22 42.103 2.453 0.747 0.870 0.905 0.714 CB 1.729 22 residues pruned to eliminate duplicates Z: 21 32.074 2.427 0.839 0.396 0.950 0.350 CB 1.887 22 residues pruned to eliminate duplicates Z: 15 28.054 2.212 0.638 0.820 0.929 0.571 CA 1.688 16 residues pruned to eliminate duplicates Z: 17 34.180 2.037 1.005 0.921 1.000 0.375 CB 1.473 17 residues pruned to eliminate duplicates Z: 38 53.690 2.352 0.746 0.853 0.946 0.730 CB 1.679 38 residues pruned to eliminate duplicates Z: 21 42.311 2.224 0.958 0.894 0.950 0.850 CB 1.641 21 residues pruned to eliminate duplicates Z: 16 33.334 2.298 0.935 0.810 0.933 0.667 CB 1.584 16 residues pruned to eliminate duplicates Z: 20 47.841 2.450 0.671 0.908 1.000 0.789 CA 1.904 20 residues pruned to eliminate duplicates Z: 16 41.649 2.380 1.011 0.877 0.933 0.667 CA 1.749 16 residues pruned to eliminate duplicates Z: 20 37.116 2.473 0.868 0.626 0.947 0.737 CB 1.728 20 residues pruned to eliminate duplicates Z: 15 28.586 2.181 0.892 0.783 0.857 0.714 CA 1.683 15 residues pruned to eliminate duplicates Z: 13 26.791 2.243 0.735 0.865 0.917 0.750 CB 1.589 14 residues pruned to eliminate duplicates Z: 16 24.446 2.183 0.407 0.934 0.933 0.867 CA 1.535 16 residues pruned to eliminate duplicates Z: 25 18.221 2.049 0.812 0.383 0.792 0.458 CB 1.433 25 residues pruned to eliminate duplicates Z: 6 5.837 1.978 0.266 0.705 0.800 0.400 CB 1.081 6 residues pruned to eliminate duplicates Z: 21 49.517 2.498 0.621 0.904 1.000 0.800 CA 1.948 21 residues pruned to eliminate duplicates Z: 30 30.825 2.338 0.673 0.544 0.931 0.552 CB 1.506 30 residues pruned to eliminate duplicates Z: 33 28.312 2.066 0.689 0.614 0.906 0.688 CB 1.421 17 residues pruned to eliminate duplicates Z: 13 37.798 2.287 1.223 0.941 1.000 0.917 CB 1.489 16 residues pruned to eliminate duplicates Z: 14 26.752 2.155 0.611 0.937 1.000 0.692 CB 1.487 Z: 14 16.629 1.744 0.532 0.875 1.000 0.615 CB 1.255 13 residues pruned to eliminate duplicates Z: 30 35.319 2.387 0.719 0.532 0.828 0.724 CA 1.872 30 residues pruned to eliminate duplicates Z: 15 30.260 2.305 0.771 0.838 1.000 0.857 CB 1.481 14 residues pruned to eliminate duplicates Z: 15 34.532 2.263 0.847 0.855 1.000 0.786 CB 1.629 15 residues pruned to eliminate duplicates Z: 17 27.268 2.229 0.748 0.781 0.875 0.688 CA 1.561 17 residues pruned to eliminate duplicates Z: 6 6.549 1.748 0.308 0.693 0.800 0.400 C 1.343 6 residues pruned to eliminate duplicates Z: 6 11.854 2.036 1.530 0.699 0.800 0.600 CB 1.073 6 residues pruned to eliminate duplicates Z: 14 28.167 2.222 0.617 0.885 1.000 0.846 CA 1.570 14 residues pruned to eliminate duplicates Z: 17 7.332 1.861 0.522 0.287 0.625 0.312 CA 1.316 11 residues pruned to eliminate duplicates Z: 15 16.943 2.157 0.701 0.304 0.929 0.429 C 1.652 15 residues pruned to eliminate duplicates Z: 10 7.645 1.730 0.243 0.539 1.000 0.444 CB 1.140 Z: 38 40.967 2.303 0.784 0.564 0.946 0.595 CB 1.630 38 residues pruned to eliminate duplicates Z: 14 30.393 2.324 0.885 0.792 1.000 0.538 CB 1.489 15 residues pruned to eliminate duplicates Z: 8 10.358 1.765 0.731 0.544 1.000 0.714 CB 1.227 8 residues pruned to eliminate duplicates Z: 13 27.862 2.293 0.880 0.724 0.917 0.500 CB 1.662 13 residues pruned to eliminate duplicates Z: 137 66.481 2.207 0.741 0.581 0.897 0.632 CB 1.530 128 residues pruned to eliminate duplicates Z: 17 28.293 2.003 0.644 0.929 1.000 0.688 CB 1.502 18 residues pruned to eliminate duplicates Z: 28 28.796 2.317 0.635 0.582 0.926 0.667 CB 1.460 19 residues pruned to eliminate duplicates Z: 17 20.843 1.983 0.952 0.480 0.875 0.438 CB 1.571 17 residues pruned to eliminate duplicates Z: 20 40.247 2.440 0.458 0.899 1.000 0.947 CB 1.855 20 residues pruned to eliminate duplicates Z: 23 18.700 1.982 0.522 0.450 0.955 0.636 CB 1.459 17 residues pruned to eliminate duplicates Z: 109 54.592 2.167 0.703 0.577 0.926 0.556 CB 1.427 50 residues pruned to eliminate duplicates Z: 36 35.876 2.150 0.629 0.836 0.943 0.743 CB 1.374 36 residues pruned to eliminate duplicates Z: 18 22.080 1.911 0.303 0.916 1.000 0.765 CB 1.519 18 residues pruned to eliminate duplicates Z: 16 23.285 2.129 0.592 0.802 0.867 0.733 CA 1.572 16 residues pruned to eliminate duplicates Z: 22 40.214 2.479 0.596 0.875 0.905 0.810 CB 1.783 22 residues pruned to eliminate duplicates Z: 30 20.162 2.046 0.574 0.534 0.862 0.586 CB 1.304 30 residues pruned to eliminate duplicates Z: 14 30.261 2.382 0.515 0.928 1.000 1.000 CB 1.628 14 residues pruned to eliminate duplicates Z: 17 17.326 2.038 0.768 0.520 0.875 0.625 CB 1.347 Z: 10 16.751 2.246 0.392 0.552 1.000 0.556 CA 1.699 10 residues pruned to eliminate duplicates Z: 18 15.029 1.885 0.657 0.485 0.882 0.412 CA 1.342 Z: 16 27.067 2.319 0.936 0.754 0.800 0.533 CB 1.552 16 residues pruned to eliminate duplicates Z: 14 29.011 2.195 0.882 0.814 0.923 0.692 CA 1.606 14 residues pruned to eliminate duplicates Z: 16 23.164 2.270 0.758 0.760 0.800 0.533 CB 1.488 16 residues pruned to eliminate duplicates Z: 14 21.463 2.026 0.411 0.944 1.000 0.923 CA 1.442 14 residues pruned to eliminate duplicates Z: 15 16.284 2.174 0.504 0.473 0.857 0.500 CB 1.596 15 residues pruned to eliminate duplicates Z: 12 23.483 2.502 0.355 0.805 0.909 0.636 CB 1.762 12 residues pruned to eliminate duplicates Z: 14 31.322 2.363 0.824 0.880 0.923 0.538 CB 1.582 14 residues pruned to eliminate duplicates Z: 20 27.611 2.142 0.745 0.613 0.895 0.737 CB 1.702 20 residues pruned to eliminate duplicates Z: 13 28.908 2.340 0.633 0.830 1.000 0.750 CB 1.642 13 residues pruned to eliminate duplicates Z: 36 29.300 2.111 0.604 0.628 0.886 0.657 CB 1.464 36 residues pruned to eliminate duplicates Z: 29 32.664 2.341 0.841 0.515 0.929 0.714 CB 1.519 28 residues pruned to eliminate duplicates Z: 17 22.974 1.943 0.430 0.904 1.000 0.875 CB 1.473 17 residues pruned to eliminate duplicates Z: 6 6.498 1.937 -0.064 0.502 1.000 0.600 CB 1.598 6 residues pruned to eliminate duplicates Z: 15 35.607 2.111 1.155 0.932 1.000 0.929 CA 1.461 15 residues pruned to eliminate duplicates Z: 17 27.953 1.979 0.672 0.925 1.000 0.812 CB 1.482 17 residues pruned to eliminate duplicates Z: 14 33.597 2.236 0.966 0.853 1.000 0.615 CB 1.567 14 residues pruned to eliminate duplicates Z: 38 54.593 2.402 0.676 0.852 0.946 0.784 CB 1.744 38 residues pruned to eliminate duplicates Z: 13 26.770 2.233 0.446 0.912 1.000 1.000 CA 1.695 13 residues pruned to eliminate duplicates Z: 15 31.102 2.273 0.811 0.931 1.000 0.714 CB 1.411 15 residues pruned to eliminate duplicates Z: 16 32.698 2.094 1.363 0.842 0.933 0.733 CB 1.363 16 residues pruned to eliminate duplicates Z: 33 35.460 2.106 0.910 0.689 0.906 0.781 CB 1.446 33 residues pruned to eliminate duplicates Z: 101 51.822 2.132 0.783 0.578 0.880 0.600 CB 1.436 100 residues pruned to eliminate duplicates Z: 12 31.950 2.266 1.121 0.938 1.000 0.909 CB 1.393 12 residues pruned to eliminate duplicates Z: 15 18.470 2.033 0.222 0.946 1.000 0.929 CB 1.374 15 residues pruned to eliminate duplicates Z: 17 17.333 2.045 0.679 0.486 0.875 0.562 CB 1.463 17 residues pruned to eliminate duplicates Z: 36 31.841 2.143 0.509 0.826 0.971 0.657 CB 1.292 36 residues pruned to eliminate duplicates Z: 21 31.916 2.257 0.600 0.887 0.950 0.850 CB 1.501 21 residues pruned to eliminate duplicates Z: 12 21.946 2.309 0.491 0.843 0.818 0.636 CB 1.750 12 residues pruned to eliminate duplicates Z: 16 33.969 2.215 1.076 0.862 1.000 0.933 CB 1.401 16 residues pruned to eliminate duplicates Z: 15 20.671 2.394 0.617 0.435 0.857 0.571 CB 1.781 15 residues pruned to eliminate duplicates Z: 36 28.739 2.106 0.478 0.841 0.914 0.743 CB 1.273 36 residues pruned to eliminate duplicates Z: 10 13.462 1.966 0.730 0.591 0.889 0.778 CB 1.360 11 residues pruned to eliminate duplicates Z: 90 56.548 2.314 0.659 0.614 0.921 0.685 CB 1.522 84 residues pruned to eliminate duplicates Z: 15 33.963 2.280 0.771 0.833 1.000 0.714 CA 1.686 15 residues pruned to eliminate duplicates Z: 29 32.868 2.160 0.972 0.585 0.964 0.571 CB 1.394 29 residues pruned to eliminate duplicates Z: 36 34.318 2.139 0.575 0.841 0.914 0.771 CB 1.405 36 residues pruned to eliminate duplicates Z: 38 53.311 2.335 0.757 0.872 0.946 0.757 CB 1.646 38 residues pruned to eliminate duplicates Z: 32 27.939 2.283 0.689 0.503 0.871 0.581 CB 1.490 32 residues pruned to eliminate duplicates Z: 39 16.154 1.816 0.562 0.420 0.789 0.553 CB 1.273 39 residues pruned to eliminate duplicates Z: 16 24.249 2.028 0.404 0.936 1.000 0.933 CB 1.532 16 residues pruned to eliminate duplicates Z: 29 27.080 2.330 0.585 0.546 0.893 0.643 CB 1.483 29 residues pruned to eliminate duplicates Z: 28 21.934 2.197 0.937 0.400 0.815 0.481 CB 1.352 28 residues pruned to eliminate duplicates Z: 18 26.088 1.917 0.673 0.928 0.941 0.471 CB 1.468 17 residues pruned to eliminate duplicates Z: 17 14.733 1.977 0.676 0.361 0.938 0.812 CB 1.378 14 residues pruned to eliminate duplicates Z: 10 18.803 2.243 0.275 0.864 1.000 0.556 CA 1.607 10 residues pruned to eliminate duplicates Z: 15 33.809 2.244 0.842 0.851 1.000 0.857 CA 1.617 15 residues pruned to eliminate duplicates Z: 8 19.574 2.197 1.028 0.548 1.000 0.429 CA 1.584 8 residues pruned to eliminate duplicates Z: 60 44.759 2.279 0.711 0.583 0.932 0.610 CB 1.481 60 residues pruned to eliminate duplicates Z: 14 12.398 1.950 0.477 0.518 0.769 0.615 CB 1.525 14 residues pruned to eliminate duplicates Z: 14 57.091 2.531 1.314 0.936 1.000 0.923 CA 1.884 14 residues pruned to eliminate duplicates Z: 16 30.020 2.164 0.720 0.931 1.000 0.867 CA 1.455 16 residues pruned to eliminate duplicates Z: 20 38.770 2.255 0.833 0.903 0.947 0.842 CB 1.618 20 residues pruned to eliminate duplicates Z: 16 28.812 2.076 0.601 0.952 1.000 0.600 CB 1.542 16 residues pruned to eliminate duplicates Z: 13 18.433 1.942 0.670 0.833 1.000 0.583 CB 1.231 Z: 38 52.837 2.333 0.710 0.865 0.946 0.757 CB 1.686 38 residues pruned to eliminate duplicates Z: 9 7.354 1.880 0.741 0.470 1.000 0.625 CB 0.819 Z: 30 31.093 2.352 0.747 0.508 0.966 0.586 CB 1.444 30 residues pruned to eliminate duplicates Z: 24 28.231 2.125 0.864 0.629 0.913 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 12 52.951 2.599 1.277 0.937 1.000 1.000 CB 1.878 12 residues pruned to eliminate duplicates Z: 17 29.159 1.993 0.801 0.902 0.938 0.625 CB 1.545 17 residues pruned to eliminate duplicates Z: 29 41.833 2.378 0.697 0.624 0.964 0.679 CB 1.807 29 residues pruned to eliminate duplicates Z: 10 4.594 2.004 0.062 0.208 0.778 0.444 CB 1.308 9 residues pruned to eliminate duplicates Z: 31 31.941 2.175 0.693 0.610 0.900 0.600 CB 1.585 31 residues pruned to eliminate duplicates Z: 24 20.730 2.232 1.023 0.400 0.783 0.391 CB 1.358 33 residues pruned to eliminate duplicates Z: 16 10.969 1.856 1.068 0.421 0.800 0.600 CB 1.001 Z: 11 9.246 1.942 0.436 0.405 0.900 0.700 CB 1.287 Z: 13 30.226 2.174 0.917 0.809 1.000 0.583 CB 1.599 13 residues pruned to eliminate duplicates Z: 24 33.076 2.416 0.680 0.572 0.957 0.609 CB 1.657 24 residues pruned to eliminate duplicates Z: 16 24.009 2.129 0.535 0.811 0.933 0.667 CA 1.550 15 residues pruned to eliminate duplicates Z: 30 36.554 2.469 0.817 0.440 0.897 0.483 CB 1.795 30 residues pruned to eliminate duplicates Z: 107 43.655 2.118 0.549 0.552 0.877 0.604 CB 1.401 107 residues pruned to eliminate duplicates Z: 19 24.685 1.920 0.616 0.913 1.000 0.833 CB 1.327 19 residues pruned to eliminate duplicates Z: 13 15.699 1.961 0.919 0.855 0.917 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 41 33.739 2.075 0.569 0.631 0.975 0.675 CB 1.486 41 residues pruned to eliminate duplicates Z: 70 44.999 2.155 0.678 0.682 0.913 0.667 CB 1.388 70 residues pruned to eliminate duplicates Z: 13 30.620 2.391 0.592 0.866 1.000 0.917 CA 1.700 13 residues pruned to eliminate duplicates Z: 15 23.292 2.073 0.361 0.936 1.000 0.857 CB 1.537 15 residues pruned to eliminate duplicates Z: 42 22.950 1.863 0.723 0.557 0.902 0.585 CB 1.171 Z: 18 30.401 2.039 0.622 0.934 1.000 0.941 CA 1.555 18 residues pruned to eliminate duplicates Z: 12 15.113 2.227 0.522 0.588 0.818 0.455 CB 1.510 12 residues pruned to eliminate duplicates Z: 17 26.747 2.004 0.548 0.930 1.000 0.875 CB 1.506 17 residues pruned to eliminate duplicates Z: 13 30.343 2.381 0.979 0.805 0.833 0.583 CA 1.709 13 residues pruned to eliminate duplicates Z: 26 23.384 2.212 0.808 0.361 0.920 0.560 CB 1.477 26 residues pruned to eliminate duplicates Z: 15 27.920 2.336 0.721 0.800 0.857 0.714 CB 1.665 15 residues pruned to eliminate duplicates Z: 26 22.733 2.208 0.671 0.431 0.840 0.480 CB 1.576 26 residues pruned to eliminate duplicates Z: 14 17.805 2.141 0.443 0.901 1.000 0.923 CA 1.141 14 residues pruned to eliminate duplicates Z: 21 16.119 1.978 0.666 0.736 0.850 0.700 CB 1.042 21 residues pruned to eliminate duplicates Z: 12 19.181 2.055 0.622 0.848 0.909 0.909 CB 1.417 12 residues pruned to eliminate duplicates Z: 17 18.429 1.847 0.858 0.579 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 39 35.997 2.208 0.975 0.519 0.895 0.421 CB 1.469 31 residues pruned to eliminate duplicates Z: 6 5.920 1.773 0.432 0.667 0.800 0.600 CA 1.117 6 residues pruned to eliminate duplicates Z: 20 43.219 2.430 0.821 0.853 0.947 0.632 CB 1.748 20 residues pruned to eliminate duplicates Z: 11 21.077 2.002 0.682 0.902 1.000 0.900 CB 1.412 11 residues pruned to eliminate duplicates Z: 36 36.997 2.149 0.751 0.846 0.886 0.657 CB 1.395 36 residues pruned to eliminate duplicates Z: 11 19.351 2.083 0.639 0.810 0.900 0.700 CA 1.520 11 residues pruned to eliminate duplicates Z: 10 16.724 1.892 0.710 0.890 1.000 1.000 CB 1.240 10 residues pruned to eliminate duplicates Z: 15 32.361 2.090 1.125 0.901 1.000 0.857 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 15.537 2.023 0.511 0.776 1.000 0.583 CB 1.150 13 residues pruned to eliminate duplicates Z: 15 36.213 2.378 0.800 0.873 1.000 0.714 CA 1.647 15 residues pruned to eliminate duplicates Z: 15 33.322 2.197 1.017 0.867 1.000 0.786 CB 1.470 15 residues pruned to eliminate duplicates Z: 58 40.353 2.145 0.799 0.600 0.877 0.561 CB 1.435 58 residues pruned to eliminate duplicates Z: 16 21.512 2.042 0.525 0.847 0.933 0.867 CA 1.418 16 residues pruned to eliminate duplicates Z: 12 3.724 1.430 0.494 0.285 0.636 0.273 CA 1.051 12 residues pruned to eliminate duplicates Z: 15 30.404 2.100 0.761 0.929 1.000 0.643 CB 1.538 15 residues pruned to eliminate duplicates Z: 111 62.264 2.340 0.653 0.571 0.909 0.564 CB 1.577 104 residues pruned to eliminate duplicates Z: 16 23.115 1.974 0.422 0.925 1.000 0.933 CB 1.492 16 residues pruned to eliminate duplicates Z: 15 33.987 2.255 0.851 0.845 1.000 0.643 CB 1.618 15 residues pruned to eliminate duplicates Z: 54 37.814 2.195 1.068 0.496 0.849 0.566 CB 1.353 39 residues pruned to eliminate duplicates Z: 36 32.144 2.272 0.656 0.519 0.943 0.686 CB 1.503 36 residues pruned to eliminate duplicates Z: 7 6.594 1.741 0.257 0.780 0.833 0.833 CB 1.153 7 residues pruned to eliminate duplicates Z: 15 22.758 2.048 0.439 0.927 1.000 0.929 CB 1.447 15 residues pruned to eliminate duplicates Z: 7 6.358 1.837 -0.144 0.763 1.000 0.833 CB 1.308 Z: 41 29.046 2.078 0.762 0.544 0.875 0.550 CB 1.374 41 residues pruned to eliminate duplicates Z: 10 19.596 2.163 0.852 0.912 1.000 0.667 CB 1.155 10 residues pruned to eliminate duplicates Z: 9 12.691 1.921 0.639 0.835 1.000 0.625 CB 1.068 9 residues pruned to eliminate duplicates Z: 11 11.966 1.995 1.156 0.485 0.900 0.400 CB 0.992 11 residues pruned to eliminate duplicates Z: 17 29.170 1.939 0.852 0.926 0.938 0.438 CB 1.519 17 residues pruned to eliminate duplicates Z: 44 27.850 2.080 0.613 0.572 0.907 0.558 CB 1.303 44 residues pruned to eliminate duplicates Z: 17 36.695 2.133 0.926 0.952 1.000 0.938 CB 1.538 17 residues pruned to eliminate duplicates Z: 17 23.760 2.177 0.620 0.729 0.875 0.500 CA 1.567 17 residues pruned to eliminate duplicates Z: 10 20.094 2.329 0.456 0.868 1.000 0.556 CA 1.444 10 residues pruned to eliminate duplicates Z: 38 33.044 2.163 0.778 0.597 0.865 0.784 CB 1.489 38 residues pruned to eliminate duplicates Z: 14 35.733 2.147 1.377 0.919 0.923 0.923 CB 1.483 16 residues pruned to eliminate duplicates Z: 16 23.898 2.231 0.653 0.794 0.867 0.733 CB 1.492 16 residues pruned to eliminate duplicates Z: 18 27.086 2.009 0.662 0.930 0.941 0.882 CA 1.461 18 residues pruned to eliminate duplicates Z: 14 26.512 2.101 0.636 0.937 1.000 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 15 15.736 1.903 0.519 0.773 0.929 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 36 33.696 2.125 0.621 0.836 0.886 0.657 CB 1.397 36 residues pruned to eliminate duplicates Z: 14 37.494 2.354 0.882 0.909 1.000 0.692 CB 1.666 14 residues pruned to eliminate duplicates Z: 9 10.171 1.776 0.535 0.510 0.875 0.625 C 1.493 9 residues pruned to eliminate duplicates Z: 16 39.329 2.164 1.123 0.838 1.000 0.800 CB 1.651 16 residues pruned to eliminate duplicates Z: 19 27.460 1.971 0.532 0.920 1.000 0.944 CA 1.510 19 residues pruned to eliminate duplicates Z: 19 32.767 2.001 0.734 0.922 1.000 0.889 CB 1.566 19 residues pruned to eliminate duplicates Z: 21 39.492 2.393 0.607 0.863 0.900 0.700 CA 1.872 21 residues pruned to eliminate duplicates Z: 13 16.462 2.057 0.693 0.480 1.000 0.750 CB 1.393 11 residues pruned to eliminate duplicates Z: 15 18.695 2.035 0.573 0.571 0.929 0.714 CA 1.569 15 residues pruned to eliminate duplicates Z: 30 28.714 1.969 0.973 0.509 0.966 0.552 CB 1.409 30 residues pruned to eliminate duplicates Z: 31 31.439 2.171 0.845 0.588 0.933 0.533 CB 1.411 31 residues pruned to eliminate duplicates Z: 16 33.222 2.164 1.135 0.863 0.933 0.400 CB 1.460 16 residues pruned to eliminate duplicates Z: 14 18.800 1.977 0.737 0.876 1.000 0.692 CB 1.104 14 residues pruned to eliminate duplicates Z: 14 35.794 2.426 1.040 0.664 0.923 0.692 CA 1.867 14 residues pruned to eliminate duplicates Z: 24 19.014 2.043 0.723 0.485 0.870 0.609 CB 1.315 24 residues pruned to eliminate duplicates Z: 6 4.180 1.880 0.256 0.472 0.600 0.600 CB 1.357 Z: 25 13.528 1.792 0.569 0.524 0.833 0.667 CB 1.150 25 residues pruned to eliminate duplicates Z: 12 12.017 1.853 0.984 0.425 0.818 0.455 CA 1.302 12 residues pruned to eliminate duplicates Z: 21 37.868 2.226 0.730 0.930 1.000 0.700 CB 1.538 21 residues pruned to eliminate duplicates Z: 23 28.644 2.420 0.624 0.474 0.909 0.500 CB 1.755 23 residues pruned to eliminate duplicates Z: 15 24.677 2.258 0.726 0.816 0.857 0.714 CA 1.501 15 residues pruned to eliminate duplicates Z: 13 16.510 2.055 0.647 0.493 1.000 0.667 CB 1.418 13 residues pruned to eliminate duplicates Z: 7 5.125 1.851 -0.139 0.594 0.833 0.500 CB 1.440 7 residues pruned to eliminate duplicates Z: 13 20.370 1.897 0.617 0.844 1.000 0.833 CB 1.426 13 residues pruned to eliminate duplicates Z: 12 28.598 2.111 1.346 0.762 0.818 0.364 CB 1.686 12 residues pruned to eliminate duplicates Z: 16 30.718 2.072 0.883 0.920 0.933 0.733 CB 1.534 16 residues pruned to eliminate duplicates Z: 46 36.942 2.242 0.618 0.567 0.911 0.556 CB 1.561 63 residues pruned to eliminate duplicates Z: 14 13.011 2.099 0.578 0.444 0.846 0.615 CB 1.364 14 residues pruned to eliminate duplicates Z: 15 23.222 2.144 0.635 0.745 1.000 0.571 CA 1.422 15 residues pruned to eliminate duplicates Z: 99 54.549 2.176 0.738 0.563 0.929 0.602 CB 1.475 99 residues pruned to eliminate duplicates Z: 27 36.702 2.206 0.760 0.685 0.962 0.769 CB 1.627 27 residues pruned to eliminate duplicates Z: 15 35.130 2.174 1.057 0.944 1.000 0.857 CB 1.454 15 residues pruned to eliminate duplicates Z: 22 27.653 2.375 0.648 0.539 0.952 0.857 CB 1.558 22 residues pruned to eliminate duplicates Z: 11 22.644 2.294 0.787 0.840 0.900 0.900 CB 1.448 11 residues pruned to eliminate duplicates Z: 17 28.924 1.971 0.838 0.931 1.000 0.750 CB 1.395 17 residues pruned to eliminate duplicates Z: 15 27.219 2.041 0.735 0.938 1.000 0.500 CB 1.429 15 residues pruned to eliminate duplicates Z: 7 10.469 2.274 0.722 0.405 0.833 0.500 CA 1.447 7 residues pruned to eliminate duplicates Z: 6 11.392 1.960 0.280 0.836 1.000 0.600 CA 1.520 6 residues pruned to eliminate duplicates Z: 98 57.211 2.299 0.634 0.563 0.948 0.619 CB 1.534 98 residues pruned to eliminate duplicates Z: 13 20.896 2.018 0.630 0.829 0.917 0.667 CA 1.505 13 residues pruned to eliminate duplicates Z: 14 37.382 2.251 1.165 0.938 1.000 0.769 CB 1.480 14 residues pruned to eliminate duplicates Z: 6 5.922 1.858 0.266 0.448 0.800 0.400 N 1.484 6 residues pruned to eliminate duplicates Z: 31 36.224 2.088 0.928 0.663 0.900 0.667 CB 1.569 31 residues pruned to eliminate duplicates Z: 14 23.324 2.201 0.803 0.528 1.000 0.615 CB 1.586 14 residues pruned to eliminate duplicates Z: 12 14.137 2.142 0.678 0.474 0.909 0.636 CB 1.339 12 residues pruned to eliminate duplicates Z: 15 13.500 1.870 0.714 0.447 1.000 0.643 CB 1.188 15 residues pruned to eliminate duplicates Z: 8 3.517 1.619 0.259 0.549 0.714 0.429 CB 0.870 8 residues pruned to eliminate duplicates Z: 17 28.365 1.977 0.788 0.919 1.000 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 34 28.606 2.237 0.696 0.528 0.879 0.515 CB 1.453 34 residues pruned to eliminate duplicates Z: 13 43.422 2.511 0.939 0.911 1.000 1.000 CA 1.825 13 residues pruned to eliminate duplicates Z: 20 34.519 2.551 0.769 0.430 0.947 0.526 CB 1.992 20 residues pruned to eliminate duplicates Z: 18 26.214 2.063 0.463 0.938 1.000 0.941 CB 1.465 18 residues pruned to eliminate duplicates Z: 36 37.039 2.146 0.607 0.859 0.943 0.771 CB 1.417 36 residues pruned to eliminate duplicates Z: 14 34.312 2.236 0.975 0.840 1.000 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 36 32.368 2.072 0.782 0.825 0.914 0.629 CB 1.223 36 residues pruned to eliminate duplicates Z: 17 12.912 1.994 0.508 0.394 0.812 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 9 17.343 2.001 0.731 0.817 1.000 0.750 CA 1.344 9 residues pruned to eliminate duplicates Z: 21 49.301 2.446 0.830 0.868 0.950 0.750 CB 1.895 21 residues pruned to eliminate duplicates Z: 13 13.577 1.969 0.573 0.496 1.000 0.750 CB 1.272 13 residues pruned to eliminate duplicates Z: 49 25.575 1.919 0.549 0.578 0.896 0.667 CB 1.286 49 residues pruned to eliminate duplicates Z: 7 5.639 1.701 0.157 0.449 1.000 0.667 N 1.233 Z: 15 20.146 1.968 0.788 0.796 0.857 0.571 CB 1.377 15 residues pruned to eliminate duplicates Z: 15 24.563 2.069 0.579 0.934 1.000 0.786 CB 1.402 15 residues pruned to eliminate duplicates Z: 32 20.850 2.170 0.765 0.419 0.871 0.452 CB 1.222 32 residues pruned to eliminate duplicates Z: 17 19.735 2.116 0.692 0.524 0.875 0.625 CB 1.538 17 residues pruned to eliminate duplicates Z: 17 31.902 2.343 0.996 0.493 0.938 0.688 CA 1.832 17 residues pruned to eliminate duplicates Z: 7 21.595 2.295 0.756 0.704 1.000 0.667 CA 1.816 7 residues pruned to eliminate duplicates Z: 16 29.197 2.059 0.677 0.924 1.000 0.800 CB 1.533 16 residues pruned to eliminate duplicates Z: 21 19.358 2.031 0.869 0.389 0.850 0.550 CB 1.509 21 residues pruned to eliminate duplicates Z: 9 10.748 2.085 1.116 0.332 0.750 0.625 CB 1.381 11 residues pruned to eliminate duplicates Z: 85 69.602 2.356 0.832 0.643 0.940 0.702 CB 1.637 85 residues pruned to eliminate duplicates Z: 21 23.427 2.027 0.600 0.528 1.000 0.550 CB 1.571 23 residues pruned to eliminate duplicates Z: 16 32.666 2.147 1.009 0.871 1.000 0.800 CB 1.426 16 residues pruned to eliminate duplicates Z: 38 61.585 2.369 0.829 0.880 1.000 0.784 CB 1.693 38 residues pruned to eliminate duplicates Z: 7 5.315 1.682 0.111 0.669 0.667 0.500 CA 1.490 7 residues pruned to eliminate duplicates Z: 15 31.022 2.310 0.864 0.842 1.000 0.714 CB 1.435 15 residues pruned to eliminate duplicates Z: 16 18.710 2.320 0.355 0.460 0.933 0.600 CA 1.716 16 residues pruned to eliminate duplicates Z: 12 15.134 1.817 0.854 0.554 1.000 0.727 CA 1.285 Z: 17 29.276 1.975 0.790 0.902 1.000 0.750 CB 1.477 17 residues pruned to eliminate duplicates Z: 29 36.022 2.165 0.943 0.626 0.929 0.714 CB 1.549 29 residues pruned to eliminate duplicates Z: 6 6.377 1.666 0.369 0.739 1.000 0.600 CA 1.009 6 residues pruned to eliminate duplicates Z: 99 49.759 2.114 0.667 0.564 0.908 0.622 CB 1.475 99 residues pruned to eliminate duplicates Z: 32 37.109 2.284 0.993 0.581 0.968 0.710 CB 1.399 32 residues pruned to eliminate duplicates Z: 37 33.793 2.238 0.607 0.549 0.917 0.611 CB 1.628 37 residues pruned to eliminate duplicates Z: 67 51.693 2.274 0.801 0.594 0.879 0.591 CB 1.617 67 residues pruned to eliminate duplicates Z: 16 13.431 1.799 0.887 0.468 0.800 0.600 CA 1.319 10 residues pruned to eliminate duplicates Z: 8 14.603 1.953 0.646 0.787 0.857 0.571 CA 1.556 8 residues pruned to eliminate duplicates Z: 23 32.714 2.412 0.548 0.585 0.955 0.864 CA 1.803 23 residues pruned to eliminate duplicates Z: 18 17.602 1.782 0.723 0.532 1.000 0.588 CB 1.347 18 residues pruned to eliminate duplicates Z: 27 14.250 1.811 0.583 0.518 0.885 0.654 CB 1.082 27 residues pruned to eliminate duplicates Z: 13 39.886 2.315 1.080 0.850 1.000 0.667 CB 1.772 13 residues pruned to eliminate duplicates Z: 36 29.711 2.108 0.456 0.862 0.943 0.829 CB 1.274 36 residues pruned to eliminate duplicates Z: 18 12.746 2.075 0.813 0.494 0.765 0.588 CB 1.082 18 residues pruned to eliminate duplicates Z: 13 26.604 2.217 0.773 0.848 0.917 0.750 CB 1.581 13 residues pruned to eliminate duplicates Z: 19 18.126 2.083 0.558 0.435 0.889 0.722 CB 1.584 19 residues pruned to eliminate duplicates Z: 21 19.048 1.977 0.920 0.364 0.850 0.450 CB 1.528 21 residues pruned to eliminate duplicates Z: 40 22.314 1.858 0.645 0.527 0.974 0.538 CB 1.168 40 residues pruned to eliminate duplicates Z: 15 22.880 2.201 0.273 0.850 1.000 0.786 CB 1.616 15 residues pruned to eliminate duplicates Z: 13 13.843 2.180 0.637 0.283 0.833 0.500 CB 1.717 125 residues pruned to eliminate duplicates Z: 7 9.330 1.942 0.722 0.734 0.833 0.833 CA 1.108 7 residues pruned to eliminate duplicates Z: 24 22.832 2.185 0.954 0.472 0.783 0.565 CB 1.466 76 residues pruned to eliminate duplicates Z: 20 40.994 2.263 0.855 0.924 1.000 0.789 CB 1.573 20 residues pruned to eliminate duplicates Z: 7 10.546 1.727 0.542 0.873 1.000 0.667 CA 1.178 Z: 47 32.605 2.125 0.608 0.624 0.913 0.630 CB 1.371 47 residues pruned to eliminate duplicates Z: 40 38.896 2.266 0.620 0.639 0.949 0.667 CB 1.570 40 residues pruned to eliminate duplicates Z: 40 44.749 2.333 0.687 0.623 0.949 0.718 CB 1.709 41 residues pruned to eliminate duplicates Z: 20 41.299 2.248 0.939 0.894 1.000 0.632 CB 1.559 20 residues pruned to eliminate duplicates Z: 21 34.666 2.235 0.801 0.889 0.900 0.650 CB 1.541 21 residues pruned to eliminate duplicates Z: 7 6.237 1.834 0.678 0.522 0.667 0.333 CB 1.214 7 residues pruned to eliminate duplicates Z: 18 22.370 2.070 0.818 0.491 0.941 0.647 CB 1.546 18 residues pruned to eliminate duplicates Z: 14 18.977 2.066 0.641 0.467 1.000 0.692 CA 1.604 18 residues pruned to eliminate duplicates Z: 68 45.944 2.287 0.757 0.539 0.851 0.522 CB 1.581 68 residues pruned to eliminate duplicates Z: 30 38.046 2.306 0.911 0.504 0.931 0.655 CB 1.715 30 residues pruned to eliminate duplicates Z: 15 33.024 2.157 1.023 0.903 1.000 0.929 CB 1.441 15 residues pruned to eliminate duplicates Z: 18 24.232 1.830 0.739 0.916 0.941 0.412 CB 1.386 18 residues pruned to eliminate duplicates Z: 16 19.129 1.890 0.997 0.599 0.933 0.733 CB 1.276 17 residues pruned to eliminate duplicates Z: 9 13.464 2.056 0.478 0.660 0.875 0.375 CB 1.543 9 residues pruned to eliminate duplicates Z: 25 15.895 1.790 0.533 0.568 0.958 0.708 CB 1.155 25 residues pruned to eliminate duplicates Z: 26 33.314 2.287 0.640 0.583 0.960 0.560 CA 1.709 26 residues pruned to eliminate duplicates Z: 16 29.962 2.058 0.753 0.912 1.000 0.733 CB 1.519 16 residues pruned to eliminate duplicates Z: 17 26.961 2.045 0.526 0.932 1.000 0.875 CA 1.508 17 residues pruned to eliminate duplicates Z: 32 29.781 2.288 0.940 0.422 0.806 0.452 CB 1.621 32 residues pruned to eliminate duplicates Z: 6 2.933 1.440 0.254 0.367 0.800 0.400 CB 1.047 Z: 16 21.551 2.021 0.719 0.716 0.867 0.333 CB 1.521 16 residues pruned to eliminate duplicates Z: 15 16.916 1.930 0.872 0.509 0.929 0.643 CB 1.335 14 residues pruned to eliminate duplicates Z: 30 27.793 1.925 0.884 0.627 0.931 0.379 CB 1.355 30 residues pruned to eliminate duplicates Z: 15 26.011 2.232 0.483 0.938 0.929 0.929 CB 1.573 15 residues pruned to eliminate duplicates Z: 9 8.874 1.894 0.532 0.488 1.000 0.750 CB 1.095 Z: 19 18.708 2.122 0.637 0.509 0.944 0.611 CB 1.332 Z: 34 39.374 2.260 1.032 0.598 0.939 0.606 CB 1.447 5 residues pruned to eliminate duplicates Z: 17 30.041 2.152 0.547 0.944 1.000 0.938 CB 1.563 17 residues pruned to eliminate duplicates Z: 14 21.077 2.155 0.417 0.914 0.923 0.692 CB 1.467 14 residues pruned to eliminate duplicates Z: 29 34.424 2.159 0.980 0.605 0.964 0.714 CB 1.428 29 residues pruned to eliminate duplicates Z: 18 21.041 2.121 1.139 0.454 0.882 0.647 CB 1.336 18 residues pruned to eliminate duplicates Z: 94 51.528 2.155 0.751 0.571 0.925 0.570 CB 1.430 7 residues pruned to eliminate duplicates Z: 21 48.586 2.375 1.002 0.918 0.950 0.850 CA 1.697 21 residues pruned to eliminate duplicates Z: 15 14.335 2.185 0.504 0.361 0.714 0.286 CA 1.896 15 residues pruned to eliminate duplicates Z: 25 28.679 2.259 0.761 0.626 0.833 0.417 CB 1.568 25 residues pruned to eliminate duplicates Z: 18 14.710 1.835 0.481 0.493 0.882 0.706 CB 1.499 18 residues pruned to eliminate duplicates Z: 16 22.561 1.951 0.638 0.932 0.933 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 35 33.894 2.363 0.790 0.478 0.853 0.559 CB 1.647 84 residues pruned to eliminate duplicates Z: 20 15.676 1.825 0.821 0.513 0.842 0.737 CB 1.269 20 residues pruned to eliminate duplicates Z: 12 29.451 2.436 0.823 0.830 0.909 0.909 CA 1.653 12 residues pruned to eliminate duplicates Z: 15 30.398 2.266 0.713 0.916 1.000 0.929 CB 1.479 15 residues pruned to eliminate duplicates Z: 29 40.258 2.365 0.674 0.645 0.964 0.786 CB 1.740 29 residues pruned to eliminate duplicates Z: 6 6.563 1.717 0.526 0.752 0.800 0.400 CB 1.119 Z: 31 40.624 2.331 0.827 0.584 0.900 0.567 CA 1.785 31 residues pruned to eliminate duplicates Z: 13 17.269 1.972 0.794 0.840 0.917 0.500 CB 1.147 13 residues pruned to eliminate duplicates Z: 26 20.351 2.176 0.795 0.445 0.840 0.480 CB 1.313 26 residues pruned to eliminate duplicates Z: 9 9.550 1.892 0.446 0.545 0.875 0.625 CA 1.350 9 residues pruned to eliminate duplicates Z: 17 27.922 1.974 0.886 0.915 0.938 0.812 CB 1.413 17 residues pruned to eliminate duplicates Z: 13 14.858 1.919 0.255 0.910 0.917 0.833 CB 1.378 13 residues pruned to eliminate duplicates Z: 20 33.247 2.442 0.884 0.564 0.895 0.579 CB 1.741 20 residues pruned to eliminate duplicates Z: 14 10.452 2.038 0.667 0.293 0.769 0.231 CB 1.400 Z: 16 23.607 2.097 0.444 0.881 1.000 0.800 CB 1.458 16 residues pruned to eliminate duplicates Z: 35 31.594 2.163 0.644 0.819 0.882 0.676 CB 1.310 35 residues pruned to eliminate duplicates Z: 8 18.355 2.045 0.741 0.794 1.000 0.857 CA 1.506 8 residues pruned to eliminate duplicates Z: 24 17.869 1.999 0.504 0.414 0.957 0.652 CB 1.418 24 residues pruned to eliminate duplicates Z: 49 40.834 2.295 0.878 0.423 0.896 0.500 CB 1.655 49 residues pruned to eliminate duplicates Z: 15 29.515 2.217 0.771 0.809 1.000 0.571 CB 1.534 15 residues pruned to eliminate duplicates Z: 20 40.780 2.392 0.764 0.908 0.895 0.737 CB 1.760 20 residues pruned to eliminate duplicates Z: 13 23.350 1.864 1.107 0.912 0.917 0.750 CB 1.327 12 residues pruned to eliminate duplicates Z: 23 18.059 1.921 0.663 0.595 0.818 0.682 CB 1.345 23 residues pruned to eliminate duplicates Z: 11 19.552 1.965 0.859 0.873 1.000 0.900 CB 1.233 11 residues pruned to eliminate duplicates Z: 67 57.935 2.289 0.895 0.619 0.939 0.636 CB 1.565 67 residues pruned to eliminate duplicates Z: 32 22.041 1.990 0.548 0.598 0.903 0.613 CB 1.296 32 residues pruned to eliminate duplicates Z: 16 16.288 1.852 0.422 0.928 1.000 0.933 CB 1.119 Z: 14 11.758 1.886 0.154 0.885 1.000 0.769 CB 1.082 14 residues pruned to eliminate duplicates Z: 16 30.755 2.037 0.922 0.924 1.000 0.667 CB 1.424 16 residues pruned to eliminate duplicates Z: 15 34.607 2.154 1.097 0.938 1.000 0.929 CB 1.424 15 residues pruned to eliminate duplicates Z: 20 18.639 2.049 0.556 0.425 0.947 0.684 CB 1.529 20 residues pruned to eliminate duplicates Z: 35 28.314 2.107 0.620 0.637 0.882 0.735 CB 1.418 35 residues pruned to eliminate duplicates Z: 15 33.548 2.107 1.114 0.925 0.929 0.857 CB 1.521 15 residues pruned to eliminate duplicates Z: 21 18.032 1.851 0.687 0.517 0.900 0.550 CB 1.410 21 residues pruned to eliminate duplicates Z: 16 12.870 1.831 0.099 0.905 1.000 0.933 CB 1.175 16 residues pruned to eliminate duplicates Z: 29 20.463 1.922 0.933 0.502 0.857 0.679 CB 1.211 29 residues pruned to eliminate duplicates Z: 13 28.027 2.216 1.038 0.740 0.917 0.750 CB 1.576 13 residues pruned to eliminate duplicates Z: 13 29.233 2.192 0.862 0.924 1.000 0.833 CA 1.452 13 residues pruned to eliminate duplicates Z: 7 2.622 1.541 0.178 0.361 0.833 0.333 CB 0.821 Z: 32 32.639 2.131 0.840 0.632 0.871 0.613 CB 1.517 32 residues pruned to eliminate duplicates Z: 31 34.390 2.223 0.951 0.559 0.867 0.667 CB 1.578 6 residues pruned to eliminate duplicates Z: 11 18.359 2.106 0.690 0.640 1.000 0.800 CB 1.431 13 residues pruned to eliminate duplicates Z: 37 31.690 2.222 0.617 0.541 0.861 0.639 CA 1.640 37 residues pruned to eliminate duplicates Z: 33 33.209 2.271 0.661 0.620 0.906 0.656 CB 1.534 33 residues pruned to eliminate duplicates Z: 14 38.263 2.117 1.549 0.918 0.923 0.538 CB 1.502 14 residues pruned to eliminate duplicates Z: 19 16.204 1.991 0.492 0.741 0.833 0.444 CB 1.244 19 residues pruned to eliminate duplicates Z: 47 43.238 2.305 0.686 0.666 0.891 0.457 CB 1.578 47 residues pruned to eliminate duplicates Z: 8 6.761 2.100 0.251 0.486 0.571 0.429 CB 1.726 4 residues pruned to eliminate duplicates Z: 19 30.101 1.997 0.743 0.890 1.000 0.778 CB 1.467 19 residues pruned to eliminate duplicates Z: 21 53.571 2.503 0.853 0.913 0.950 0.800 CA 1.924 21 residues pruned to eliminate duplicates Z: 21 19.830 1.976 1.226 0.368 0.800 0.550 CB 1.451 21 residues pruned to eliminate duplicates Z: 16 24.596 2.074 0.624 0.924 0.933 0.600 CB 1.419 16 residues pruned to eliminate duplicates Z: 51 40.063 2.335 0.775 0.497 0.820 0.580 CB 1.672 51 residues pruned to eliminate duplicates Z: 29 32.013 2.167 0.811 0.571 0.964 0.571 CB 1.493 29 residues pruned to eliminate duplicates Z: 22 42.885 2.420 0.726 0.862 0.905 0.714 CB 1.818 22 residues pruned to eliminate duplicates Z: 12 15.496 1.983 0.245 0.865 1.000 0.727 CB 1.386 13 residues pruned to eliminate duplicates Z: 36 35.093 2.112 0.926 0.586 0.943 0.571 CB 1.424 32 residues pruned to eliminate duplicates Z: 19 20.928 2.147 0.749 0.512 0.833 0.611 CB 1.557 19 residues pruned to eliminate duplicates Z: 16 26.684 2.052 0.515 0.922 1.000 0.867 CB 1.559 16 residues pruned to eliminate duplicates Z: 54 38.524 2.209 0.623 0.515 0.906 0.547 CB 1.606 38 residues pruned to eliminate duplicates Z: 17 16.143 2.061 0.666 0.517 0.750 0.562 CA 1.540 17 residues pruned to eliminate duplicates Z: 10 13.634 1.984 0.303 0.837 1.000 0.889 CA 1.315 10 residues pruned to eliminate duplicates Z: 20 19.982 2.001 0.417 0.656 1.000 0.684 CB 1.398 20 residues pruned to eliminate duplicates Z: 15 28.317 2.089 0.865 0.928 0.929 0.857 CB 1.465 15 residues pruned to eliminate duplicates Z: 26 40.058 2.352 0.767 0.699 1.000 0.720 CB 1.608 26 residues pruned to eliminate duplicates Z: 6 2.362 1.694 0.183 0.444 1.000 0.400 N 0.558 Z: 24 30.263 2.317 0.532 0.524 1.000 0.652 CB 1.737 24 residues pruned to eliminate duplicates Z: 26 26.507 2.393 0.703 0.417 0.840 0.640 CB 1.689 26 residues pruned to eliminate duplicates Z: 46 34.719 2.149 0.861 0.511 0.911 0.556 CB 1.405 45 residues pruned to eliminate duplicates Z: 16 17.611 2.106 0.494 0.793 0.667 0.533 CB 1.677 16 residues pruned to eliminate duplicates Z: 10 7.126 1.831 -0.014 0.511 0.889 0.556 CB 1.464 Z: 16 23.314 2.095 0.276 0.919 1.000 0.933 CB 1.586 16 residues pruned to eliminate duplicates Z: 15 6.786 1.921 0.391 0.401 0.714 0.429 CB 1.055 15 residues pruned to eliminate duplicates Z: 30 33.401 2.160 0.858 0.639 0.897 0.759 CB 1.514 30 residues pruned to eliminate duplicates Z: 32 32.510 2.256 0.834 0.575 0.742 0.548 CB 1.769 32 residues pruned to eliminate duplicates Z: 6 4.325 1.857 -0.052 0.629 0.800 0.400 CB 1.217 6 residues pruned to eliminate duplicates Z: 39 50.901 2.342 0.515 0.883 0.974 0.789 CB 1.728 39 residues pruned to eliminate duplicates Z: 66 38.213 2.095 0.730 0.544 0.908 0.492 CB 1.381 79 residues pruned to eliminate duplicates Z: 7 16.478 2.397 0.402 0.739 1.000 0.500 CB 1.617 7 residues pruned to eliminate duplicates Z: 24 24.995 2.189 1.005 0.443 0.870 0.435 CB 1.449 138 residues pruned to eliminate duplicates Z: 13 13.359 2.063 0.431 0.489 0.917 0.750 CA 1.441 13 residues pruned to eliminate duplicates Z: 74 47.996 2.216 0.796 0.560 0.918 0.521 CB 1.451 Z: 47 42.622 2.209 0.795 0.646 0.891 0.565 CB 1.551 47 residues pruned to eliminate duplicates Z: 38 37.092 2.230 0.835 0.515 0.919 0.622 CB 1.597 37 residues pruned to eliminate duplicates Z: 15 10.538 1.954 0.655 0.495 0.857 0.571 CB 1.021 15 residues pruned to eliminate duplicates Z: 16 14.017 1.827 0.279 0.904 1.000 0.867 CB 1.104 16 residues pruned to eliminate duplicates Z: 15 13.464 1.877 0.208 0.905 1.000 0.929 CB 1.129 15 residues pruned to eliminate duplicates Z: 9 3.429 1.542 0.169 0.348 0.750 0.750 CA 1.057 9 residues pruned to eliminate duplicates Z: 9 7.023 1.845 0.819 0.184 0.750 0.375 CA 1.442 9 residues pruned to eliminate duplicates Z: 8 6.192 1.562 0.634 0.655 0.857 0.857 CB 0.926 Z: 16 30.453 2.122 0.644 0.922 1.000 0.867 CB 1.585 16 residues pruned to eliminate duplicates Z: 20 39.881 2.310 0.824 0.928 0.895 0.526 CB 1.700 20 residues pruned to eliminate duplicates Z: 10 9.492 1.795 0.571 0.617 0.889 0.778 CB 1.130 Z: 8 5.222 1.844 0.107 0.400 0.857 0.714 CB 1.253 8 residues pruned to eliminate duplicates Z: 6 2.818 2.090 -0.212 0.720 0.800 0.800 CB 0.784 Z: 38 36.596 2.085 0.632 0.832 0.973 0.676 CB 1.364 38 residues pruned to eliminate duplicates Z: 23 24.249 2.144 0.550 0.794 0.864 0.591 CB 1.392 23 residues pruned to eliminate duplicates Z: 11 31.405 2.224 1.179 0.914 1.000 1.000 CB 1.449 11 residues pruned to eliminate duplicates Z: 15 27.072 2.010 0.913 0.929 0.929 0.500 CB 1.419 15 residues pruned to eliminate duplicates Z: 12 20.780 2.054 0.664 0.899 1.000 0.545 CB 1.310 12 residues pruned to eliminate duplicates Z: 19 24.562 1.820 0.918 0.868 0.944 0.833 CB 1.283 19 residues pruned to eliminate duplicates Z: 37 30.356 2.111 0.531 0.829 0.917 0.694 CB 1.285 37 residues pruned to eliminate duplicates Z: 32 34.730 2.355 0.527 0.566 0.935 0.710 CB 1.739 32 residues pruned to eliminate duplicates Z: 15 28.147 2.048 0.718 0.921 1.000 0.643 CB 1.506 15 residues pruned to eliminate duplicates Z: 50 36.327 2.250 0.778 0.497 0.857 0.592 CB 1.518 50 residues pruned to eliminate duplicates Z: 23 34.834 2.289 0.782 0.638 0.909 0.682 CA 1.759 23 residues pruned to eliminate duplicates Z: 53 33.983 2.055 0.664 0.513 0.923 0.558 CB 1.475 53 residues pruned to eliminate duplicates Z: 20 16.024 2.020 0.565 0.487 0.895 0.579 CB 1.316 6 residues pruned to eliminate duplicates Z: 112 68.064 2.287 0.742 0.601 0.919 0.568 CB 1.603 112 residues pruned to eliminate duplicates Z: 7 9.976 2.038 0.404 0.654 0.833 0.667 N 1.480 11 residues pruned to eliminate duplicates Z: 7 3.774 1.570 0.290 0.444 0.833 0.333 N 0.967 Z: 8 2.212 1.585 -0.224 0.660 0.857 0.857 CB 0.683 Z: 17 16.348 2.047 0.900 0.539 0.812 0.688 CB 1.246 17 residues pruned to eliminate duplicates Z: 14 26.980 2.259 0.699 0.815 0.923 0.462 CA 1.606 14 residues pruned to eliminate duplicates Z: 61 33.823 2.063 0.827 0.542 0.900 0.583 CB 1.235 61 residues pruned to eliminate duplicates Z: 8 11.239 1.674 0.882 0.571 1.000 0.714 N 1.260 Z: 23 15.964 1.773 0.692 0.612 0.909 0.818 CB 1.122 23 residues pruned to eliminate duplicates Z: 13 26.056 2.105 0.698 0.906 1.000 0.250 CB 1.496 13 residues pruned to eliminate duplicates Z: 16 27.844 1.996 0.778 0.920 0.933 0.800 CB 1.529 16 residues pruned to eliminate duplicates Z: 23 35.327 2.178 0.883 0.870 0.909 0.773 CB 1.474 23 residues pruned to eliminate duplicates Z: 32 32.486 2.378 0.854 0.394 0.839 0.516 CA 1.765 32 residues pruned to eliminate duplicates Z: 30 32.658 2.239 0.860 0.549 0.897 0.483 CB 1.549 30 residues pruned to eliminate duplicates Z: 61 47.579 2.230 0.813 0.615 0.967 0.600 CB 1.410 61 residues pruned to eliminate duplicates Z: 14 17.973 2.071 0.537 0.826 0.923 0.692 CB 1.280 14 residues pruned to eliminate duplicates Z: 15 24.346 2.128 1.011 0.570 0.857 0.643 CB 1.658 15 residues pruned to eliminate duplicates Z: 20 35.117 2.382 0.834 0.822 0.895 0.684 CB 1.559 20 residues pruned to eliminate duplicates Z: 7 11.578 1.715 0.352 0.829 1.000 0.333 N 1.533 7 residues pruned to eliminate duplicates Z: 30 31.697 2.310 0.852 0.515 0.966 0.690 CB 1.405 30 residues pruned to eliminate duplicates 6 1.488 1.519 0.131 0.432 1.000 0.600 CB 0.415 ? Z: 18 24.163 2.058 0.950 0.776 0.824 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 6 3.197 1.475 0.227 0.791 0.800 0.600 CB 0.765 6 residues pruned to eliminate duplicates Z: 29 18.725 1.780 0.714 0.530 0.857 0.500 CB 1.314 29 residues pruned to eliminate duplicates Z: 27 35.678 2.144 0.839 0.660 0.923 0.731 CB 1.658 27 residues pruned to eliminate duplicates Z: 14 13.660 2.036 0.510 0.410 0.923 0.769 CB 1.467 14 residues pruned to eliminate duplicates Z: 45 31.306 2.033 0.733 0.601 0.955 0.705 CB 1.274 45 residues pruned to eliminate duplicates Z: 63 38.332 2.173 0.563 0.597 0.919 0.645 CB 1.421 63 residues pruned to eliminate duplicates Z: 101 47.600 2.102 0.715 0.558 0.910 0.500 CB 1.372 78 residues pruned to eliminate duplicates Z: 20 40.721 2.237 0.889 0.894 0.947 0.842 CB 1.674 20 residues pruned to eliminate duplicates Z: 16 12.212 1.990 0.332 0.750 0.800 0.600 CB 1.189 16 residues pruned to eliminate duplicates Z: 19 31.110 1.990 0.678 0.934 1.000 1.000 CA 1.531 19 residues pruned to eliminate duplicates Z: 63 56.185 2.334 0.774 0.610 0.952 0.645 CB 1.632 63 residues pruned to eliminate duplicates Z: 11 12.969 1.841 0.320 0.861 1.000 0.700 CA 1.240 11 residues pruned to eliminate duplicates Z: 8 2.737 1.776 -0.132 0.682 0.857 0.571 CB 0.662 Z: 15 4.249 1.439 0.205 0.305 0.857 0.357 CB 0.949 Z: 21 30.493 2.423 0.737 0.450 0.950 0.400 CB 1.796 21 residues pruned to eliminate duplicates 6 1.942 1.597 -0.166 0.654 0.800 0.800 CB 0.707 ? Z: 24 17.009 1.789 0.662 0.558 0.957 0.609 CB 1.179 24 residues pruned to eliminate duplicates Z: 15 26.651 1.979 0.659 0.913 1.000 0.786 CB 1.535 15 residues pruned to eliminate duplicates Z: 19 16.975 1.712 0.810 0.570 0.944 0.611 CB 1.278 19 residues pruned to eliminate duplicates Z: 10 13.525 1.997 0.379 0.584 0.889 0.889 CB 1.699 10 residues pruned to eliminate duplicates Z: 19 16.414 2.043 0.899 0.560 0.833 0.444 CB 1.129 110 residues pruned to eliminate duplicates Z: 28 28.340 2.288 0.679 0.500 0.889 0.593 CB 1.597 28 residues pruned to eliminate duplicates Z: 17 20.633 1.913 0.422 0.885 0.938 0.812 CB 1.459 17 residues pruned to eliminate duplicates Z: 19 30.077 1.996 0.779 0.881 1.000 0.833 CB 1.445 19 residues pruned to eliminate duplicates Z: 11 15.764 2.037 0.686 0.894 0.900 0.800 CB 1.157 11 residues pruned to eliminate duplicates Z: 18 26.796 2.049 0.480 0.932 0.941 0.941 CB 1.590 18 residues pruned to eliminate duplicates Z: 18 32.885 2.078 0.706 0.942 1.000 0.941 CB 1.561 18 residues pruned to eliminate duplicates Z: 10 16.024 2.128 0.523 0.875 1.000 0.889 CB 1.199 10 residues pruned to eliminate duplicates Z: 13 19.926 1.960 0.625 0.843 1.000 0.667 CB 1.345 Z: 17 16.648 1.968 0.669 0.460 0.938 0.688 CB 1.409 17 residues pruned to eliminate duplicates Z: 15 33.934 2.186 0.862 0.865 1.000 0.786 CA 1.632 15 residues pruned to eliminate duplicates Z: 15 24.712 2.079 0.436 0.931 0.929 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 36 34.788 2.122 0.671 0.853 0.943 0.629 CB 1.300 36 residues pruned to eliminate duplicates Z: 15 10.609 1.794 0.079 0.896 1.000 0.857 CB 1.049 15 residues pruned to eliminate duplicates Z: 14 32.619 2.384 0.607 0.932 1.000 1.000 CB 1.649 14 residues pruned to eliminate duplicates Z: 6 7.112 1.510 0.625 0.709 1.000 0.600 CA 1.072 6 residues pruned to eliminate duplicates Z: 14 24.127 1.853 1.128 0.874 1.000 0.692 CB 1.236 14 residues pruned to eliminate duplicates Z: 41 40.149 2.170 0.788 0.646 0.925 0.675 CB 1.542 41 residues pruned to eliminate duplicates Z: 27 20.281 1.998 0.661 0.645 0.846 0.731 CB 1.237 27 residues pruned to eliminate duplicates Z: 8 3.577 1.576 0.219 0.431 0.714 0.286 N 1.059 Z: 13 5.022 1.738 0.116 0.512 0.917 0.583 CB 0.806 8 residues pruned to eliminate duplicates Z: 18 28.174 1.950 0.788 0.918 1.000 0.824 CB 1.383 18 residues pruned to eliminate duplicates Z: 23 20.588 2.212 0.605 0.427 0.864 0.636 CB 1.544 23 residues pruned to eliminate duplicates Z: 7 9.236 1.613 0.488 0.851 1.000 0.500 CA 1.164 7 residues pruned to eliminate duplicates Z: 22 16.218 1.851 0.667 0.585 1.000 0.714 CB 1.057 Z: 6 9.191 1.542 0.751 0.853 1.000 0.600 CB 1.125 6 residues pruned to eliminate duplicates Z: 13 14.673 1.844 0.401 0.783 1.000 0.583 CB 1.278 Z: 25 39.679 2.460 0.900 0.506 0.917 0.583 CA 1.878 25 residues pruned to eliminate duplicates Z: 13 17.398 2.179 0.867 0.432 0.833 0.500 CA 1.589 13 residues pruned to eliminate duplicates Z: 16 28.526 2.023 0.885 0.939 0.933 0.800 CB 1.439 16 residues pruned to eliminate duplicates Z: 36 35.965 2.139 0.682 0.839 0.971 0.714 CB 1.299 36 residues pruned to eliminate duplicates Z: 6 2.981 1.662 0.510 0.535 0.800 0.400 CB 0.641 Z: 60 38.564 2.133 0.696 0.523 0.881 0.559 CB 1.540 60 residues pruned to eliminate duplicates Z: 13 11.343 2.008 0.453 0.599 0.917 0.583 CB 1.115 Z: 21 24.831 2.254 0.569 0.544 0.950 0.650 CB 1.582 21 residues pruned to eliminate duplicates Z: 15 11.326 2.035 0.519 0.403 0.786 0.357 CB 1.380 15 residues pruned to eliminate duplicates Z: 18 46.236 2.320 1.321 0.756 0.882 0.765 CA 1.878 18 residues pruned to eliminate duplicates Z: 26 29.880 2.070 0.971 0.741 0.880 0.640 CB 1.342 26 residues pruned to eliminate duplicates Z: 20 14.912 2.140 0.261 0.383 0.947 0.421 CB 1.515 20 residues pruned to eliminate duplicates Z: 16 13.967 1.825 0.392 0.894 0.933 0.667 CB 1.091 16 residues pruned to eliminate duplicates Z: 29 22.688 2.011 0.680 0.626 0.893 0.536 CB 1.262 29 residues pruned to eliminate duplicates Z: 8 5.534 1.669 0.444 0.373 0.857 0.286 CA 1.161 Z: 22 14.195 1.869 0.653 0.360 0.857 0.333 CB 1.360 22 residues pruned to eliminate duplicates Z: 9 5.388 1.718 0.276 0.439 0.875 0.625 CB 1.057 9 residues pruned to eliminate duplicates Z: 9 13.231 2.167 0.796 0.377 0.875 0.500 CB 1.566 9 residues pruned to eliminate duplicates Z: 23 31.245 2.134 0.936 0.628 1.000 0.636 CB 1.429 23 residues pruned to eliminate duplicates Z: 14 17.217 1.862 0.869 0.871 0.923 0.846 CB 1.084 14 residues pruned to eliminate duplicates Z: 76 39.335 2.122 0.640 0.524 0.907 0.587 CB 1.406 76 residues pruned to eliminate duplicates Z: 16 25.291 1.975 0.552 0.926 1.000 0.867 CB 1.494 16 residues pruned to eliminate duplicates Z: 20 22.966 2.344 0.555 0.535 0.789 0.632 CA 1.769 20 residues pruned to eliminate duplicates Z: 105 50.330 2.239 0.651 0.577 0.856 0.577 CB 1.449 105 residues pruned to eliminate duplicates Z: 7 2.829 1.495 0.616 0.347 0.667 0.333 N 0.847 Z: 16 14.982 1.840 0.389 0.897 1.000 0.667 CB 1.084 16 residues pruned to eliminate duplicates Z: 6 7.565 1.515 0.416 0.873 1.000 1.000 CA 1.148 6 residues pruned to eliminate duplicates Z: 19 22.920 2.086 0.627 0.508 1.000 0.722 CB 1.579 19 residues pruned to eliminate duplicates Z: 6 8.281 1.748 0.715 0.761 0.800 0.200 CB 1.224 Z: 16 17.547 1.835 0.432 0.922 1.000 0.933 CB 1.213 16 residues pruned to eliminate duplicates Z: 11 6.595 1.817 -0.183 0.543 1.000 0.500 CB 1.347 Z: 18 9.234 1.843 0.753 0.346 0.706 0.412 CB 1.161 11 residues pruned to eliminate duplicates Z: 7 5.459 1.773 0.863 0.417 0.667 0.667 CA 1.103 7 residues pruned to eliminate duplicates Z: 12 16.928 1.988 0.398 0.835 1.000 0.818 CB 1.376 13 residues pruned to eliminate duplicates Z: 6 2.727 1.656 -0.076 0.603 0.800 0.800 CB 0.903 7 residues pruned to eliminate duplicates Z: 11 15.908 1.975 0.757 0.685 0.900 0.500 N 1.359 Z: 16 12.813 1.778 0.207 0.888 1.000 0.933 CB 1.111 16 residues pruned to eliminate duplicates Z: 15 23.766 2.011 0.651 0.924 1.000 0.429 CB 1.343 15 residues pruned to eliminate duplicates Z: 19 18.688 2.043 0.573 0.429 0.889 0.500 CA 1.660 19 residues pruned to eliminate duplicates Z: 11 8.992 1.705 0.916 0.375 0.800 0.500 CA 1.243 Z: 15 31.399 2.306 0.799 0.852 1.000 0.643 CB 1.496 15 residues pruned to eliminate duplicates Z: 14 16.111 1.970 0.665 0.511 1.000 0.769 CB 1.347 14 residues pruned to eliminate duplicates Z: 31 36.711 2.305 0.705 0.602 0.967 0.733 CB 1.600 31 residues pruned to eliminate duplicates Z: 7 8.580 1.786 0.794 0.539 0.833 0.500 O 1.263 7 residues pruned to eliminate duplicates Z: 12 20.771 1.974 0.831 0.904 0.909 0.727 CB 1.357 12 residues pruned to eliminate duplicates Z: 16 29.194 2.154 0.639 0.930 1.000 0.867 CA 1.493 16 residues pruned to eliminate duplicates Z: 7 4.555 1.736 0.489 0.271 0.833 0.167 CB 1.119 Z: 16 20.809 1.907 0.520 0.934 1.000 0.600 CB 1.293 16 residues pruned to eliminate duplicates Z: 15 16.451 1.859 0.526 0.923 1.000 0.714 CB 1.089 15 residues pruned to eliminate duplicates Z: 36 56.937 2.402 0.855 0.866 0.914 0.657 CB 1.730 36 residues pruned to eliminate duplicates Z: 19 30.447 2.163 0.818 0.715 0.944 0.667 CA 1.590 13 residues pruned to eliminate duplicates Z: 14 31.410 2.192 1.033 0.934 1.000 1.000 CB 1.363 14 residues pruned to eliminate duplicates Z: 38 36.711 2.219 0.889 0.541 0.865 0.649 CB 1.599 38 residues pruned to eliminate duplicates Z: 49 47.357 2.344 0.745 0.613 0.938 0.542 CB 1.602 49 residues pruned to eliminate duplicates Z: 28 35.959 2.319 0.948 0.543 0.963 0.630 CB 1.526 28 residues pruned to eliminate duplicates Z: 32 25.317 2.274 0.666 0.404 0.839 0.387 CB 1.583 32 residues pruned to eliminate duplicates Z: 8 2.785 1.711 0.271 0.445 0.714 0.429 CB 0.717 8 residues pruned to eliminate duplicates Z: 13 14.263 1.846 0.442 0.856 0.917 0.750 CB 1.245 13 residues pruned to eliminate duplicates Z: 16 16.574 1.930 0.509 0.793 0.933 0.667 CB 1.217 16 residues pruned to eliminate duplicates Z: 6 2.385 1.361 0.049 0.457 0.800 0.400 CB 0.975 6 residues pruned to eliminate duplicates Z: 17 11.643 1.841 0.587 0.367 0.938 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 25 15.202 1.783 0.661 0.531 0.875 0.708 CB 1.162 24 residues pruned to eliminate duplicates Z: 32 38.853 2.278 0.845 0.549 0.968 0.710 CB 1.636 32 residues pruned to eliminate duplicates Z: 26 28.522 2.310 0.593 0.517 0.920 0.520 CB 1.657 26 residues pruned to eliminate duplicates Z: 13 14.253 1.734 0.853 0.486 1.000 0.667 CA 1.299 13 residues pruned to eliminate duplicates Z: 98 52.450 2.144 0.727 0.563 0.938 0.536 CB 1.443 98 residues pruned to eliminate duplicates Z: 7 5.089 1.522 0.348 0.800 0.833 0.667 CA 0.935 7 residues pruned to eliminate duplicates Z: 14 13.288 1.761 0.295 0.857 1.000 1.000 CB 1.191 14 residues pruned to eliminate duplicates Z: 16 17.011 1.763 0.666 0.922 1.000 0.800 CB 1.052 15 residues pruned to eliminate duplicates Z: 99 57.314 2.265 0.736 0.591 0.918 0.622 CB 1.470 99 residues pruned to eliminate duplicates Z: 37 18.355 1.885 0.555 0.522 0.889 0.583 CB 1.150 19 residues pruned to eliminate duplicates Z: 8 9.066 2.210 0.104 0.493 0.857 0.857 CB 1.649 8 residues pruned to eliminate duplicates Z: 14 13.352 1.953 0.692 0.460 0.769 0.615 N 1.517 14 residues pruned to eliminate duplicates Z: 9 10.099 2.028 0.056 0.856 1.000 0.875 CB 1.230 9 residues pruned to eliminate duplicates Z: 16 14.719 1.711 0.489 0.895 1.000 0.667 CB 1.069 16 residues pruned to eliminate duplicates Z: 33 29.191 2.013 0.808 0.672 0.938 0.719 CB 1.290 37 residues pruned to eliminate duplicates Z: 13 13.177 1.928 1.017 0.450 0.833 0.500 CB 1.236 13 residues pruned to eliminate duplicates Z: 56 45.249 2.293 0.824 0.574 0.909 0.564 CB 1.495 56 residues pruned to eliminate duplicates Z: 9 23.061 2.313 1.061 0.647 1.000 0.625 CB 1.491 9 residues pruned to eliminate duplicates Z: 15 36.494 2.252 1.060 0.925 1.000 0.929 CB 1.476 15 residues pruned to eliminate duplicates 8 1.826 1.899 0.132 0.203 0.571 0.429 CB 0.799 ? Z: 33 35.467 2.268 0.836 0.532 0.875 0.562 CB 1.668 33 residues pruned to eliminate duplicates Z: 12 4.622 1.628 0.196 0.400 0.818 0.727 CB 0.973 4 residues pruned to eliminate duplicates Z: 22 14.115 1.880 0.599 0.618 0.857 0.476 CB 1.069 22 residues pruned to eliminate duplicates Z: 12 5.821 1.847 0.511 0.294 0.727 0.273 CB 1.090 11 residues pruned to eliminate duplicates Z: 20 13.770 1.928 0.459 0.521 0.895 0.737 CB 1.230 20 residues pruned to eliminate duplicates Z: 21 39.353 2.230 0.918 0.904 0.950 0.700 CB 1.543 21 residues pruned to eliminate duplicates Z: 15 48.624 2.421 1.357 0.890 0.929 0.786 CA 1.765 15 residues pruned to eliminate duplicates Z: 15 28.465 2.205 0.805 0.922 0.929 0.857 CB 1.448 15 residues pruned to eliminate duplicates Z: 15 18.027 1.989 0.756 0.522 0.929 0.714 CB 1.453 16 residues pruned to eliminate duplicates Z: 62 47.200 2.246 0.665 0.646 0.951 0.672 CB 1.483 62 residues pruned to eliminate duplicates Z: 14 21.263 2.109 0.993 0.572 0.846 0.615 CA 1.547 14 residues pruned to eliminate duplicates Z: 16 29.835 2.196 0.944 0.787 0.933 0.533 CB 1.501 16 residues pruned to eliminate duplicates Z: 7 2.863 1.415 0.884 0.651 1.000 0.667 CB 0.381 Z: 20 33.814 2.273 0.825 0.759 0.947 0.895 CB 1.569 20 residues pruned to eliminate duplicates Z: 12 19.965 1.828 0.904 0.853 0.909 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 7 3.871 1.550 0.332 0.617 0.667 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 33 28.741 1.988 0.767 0.681 0.969 0.688 CB 1.265 33 residues pruned to eliminate duplicates Z: 6 5.553 1.644 0.327 0.481 1.000 0.800 CB 1.160 6 residues pruned to eliminate duplicates Z: 13 18.093 1.868 0.787 0.811 0.917 0.583 CA 1.303 13 residues pruned to eliminate duplicates Z: 73 64.684 2.387 0.740 0.679 0.958 0.667 CB 1.624 73 residues pruned to eliminate duplicates Z: 12 15.019 1.841 0.782 0.636 1.000 0.455 CA 1.215 12 residues pruned to eliminate duplicates Z: 8 3.273 1.553 0.498 0.490 0.857 0.429 CB 0.627 Z: 29 29.065 2.178 0.687 0.586 0.893 0.714 CB 1.542 29 residues pruned to eliminate duplicates Z: 10 9.397 1.962 0.173 0.459 0.889 0.778 C 1.597 10 residues pruned to eliminate duplicates Z: 7 5.184 1.649 -0.054 0.676 1.000 0.667 CB 1.154 Z: 6 4.982 1.737 0.058 0.626 0.800 0.800 CB 1.346 6 residues pruned to eliminate duplicates Z: 15 11.835 1.860 0.598 0.423 0.929 0.571 CB 1.241 8 residues pruned to eliminate duplicates Z: 7 6.710 1.658 0.677 0.584 0.833 0.667 CB 1.091 7 residues pruned to eliminate duplicates Z: 8 5.897 1.930 0.232 0.873 1.000 0.857 CB 0.683 8 residues pruned to eliminate duplicates Z: 38 36.039 2.207 0.991 0.506 0.946 0.541 CB 1.417 24 residues pruned to eliminate duplicates Z: 8 3.723 1.512 0.880 0.351 0.714 0.571 N 0.815 Z: 17 25.251 1.964 0.519 0.911 1.000 0.438 CB 1.501 17 residues pruned to eliminate duplicates Z: 7 5.032 1.600 -0.212 0.825 1.000 0.833 C 1.230 Z: 35 37.778 2.269 0.985 0.584 0.882 0.559 CB 1.504 35 residues pruned to eliminate duplicates Z: 12 9.962 1.633 0.662 0.411 0.909 0.455 C 1.337 12 residues pruned to eliminate duplicates Z: 13 36.661 2.356 1.013 0.682 1.000 0.833 CA 1.888 13 residues pruned to eliminate duplicates Z: 9 4.293 1.646 0.352 0.214 0.750 0.250 CB 1.273 Z: 7 2.645 1.790 0.855 0.285 0.667 0.333 CB 0.621 7 residues pruned to eliminate duplicates Z: 13 17.782 1.992 0.703 0.591 1.000 0.667 CB 1.387 13 residues pruned to eliminate duplicates Z: 12 20.894 1.960 0.969 0.829 1.000 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 11 25.549 2.442 0.943 0.687 0.900 0.800 CA 1.594 11 residues pruned to eliminate duplicates Z: 12 13.399 1.931 0.595 0.604 0.909 0.727 CB 1.308 12 residues pruned to eliminate duplicates Z: 81 47.193 2.196 0.668 0.568 0.938 0.525 CB 1.438 81 residues pruned to eliminate duplicates Z: 28 21.517 2.071 0.474 0.495 1.000 0.556 CB 1.363 28 residues pruned to eliminate duplicates Z: 48 32.409 2.054 0.738 0.609 0.872 0.574 CB 1.369 48 residues pruned to eliminate duplicates Z: 8 10.881 1.851 0.292 0.731 1.000 0.857 CA 1.398 8 residues pruned to eliminate duplicates Z: 11 29.309 2.562 0.566 0.804 1.000 0.800 CB 1.772 11 residues pruned to eliminate duplicates Z: 15 16.278 2.061 0.889 0.366 0.786 0.571 CB 1.641 15 residues pruned to eliminate duplicates Z: 16 12.668 2.064 0.400 0.294 0.933 0.600 CB 1.527 16 residues pruned to eliminate duplicates Z: 9 7.160 1.918 0.376 0.401 0.875 0.625 CB 1.217 9 residues pruned to eliminate duplicates Z: 11 8.282 1.718 0.131 0.733 0.800 0.600 CA 1.367 11 residues pruned to eliminate duplicates Z: 15 16.547 1.876 0.476 0.910 1.000 0.714 CB 1.133 15 residues pruned to eliminate duplicates Z: 36 36.670 2.147 0.742 0.861 0.914 0.771 CB 1.331 36 residues pruned to eliminate duplicates Z: 13 24.269 2.307 0.745 0.759 0.833 0.833 CB 1.659 13 residues pruned to eliminate duplicates Z: 6 8.234 1.758 0.749 0.583 1.000 0.400 CB 1.106 Z: 11 15.873 1.975 0.718 0.828 0.900 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 7 5.176 1.488 0.651 0.694 0.667 0.500 CA 1.081 7 residues pruned to eliminate duplicates 6 1.381 1.496 0.424 0.450 0.600 0.600 CB 0.508 ? Z: 7 8.504 1.906 1.568 0.449 0.833 0.500 CB 0.897 Z: 36 16.933 1.833 0.549 0.477 0.857 0.600 CB 1.204 34 residues pruned to eliminate duplicates Z: 6 5.314 1.486 0.820 0.295 1.000 0.800 C 1.105 Z: 18 18.301 1.818 0.939 0.502 0.941 0.588 CA 1.335 18 residues pruned to eliminate duplicates Z: 6 3.067 1.594 0.271 0.393 0.600 0.400 CB 1.263 Z: 20 39.752 2.267 0.795 0.926 1.000 0.789 CB 1.573 20 residues pruned to eliminate duplicates Z: 81 55.474 2.225 0.847 0.582 0.925 0.663 CB 1.507 105 residues pruned to eliminate duplicates Z: 11 3.763 1.366 0.541 0.251 0.700 0.300 O 1.075 Z: 13 23.215 2.391 0.720 0.800 0.833 0.500 CB 1.504 13 residues pruned to eliminate duplicates Z: 6 4.659 1.613 0.033 0.612 1.000 0.800 CB 1.125 Z: 15 6.113 1.625 0.431 0.464 0.786 0.429 CB 0.927 15 residues pruned to eliminate duplicates Z: 14 11.270 1.834 0.176 0.900 0.923 0.923 CB 1.121 14 residues pruned to eliminate duplicates Z: 30 37.211 2.337 0.634 0.586 0.966 0.621 CA 1.726 30 residues pruned to eliminate duplicates Z: 12 15.617 2.027 0.763 0.461 0.909 0.545 CB 1.508 12 residues pruned to eliminate duplicates Z: 7 2.464 1.399 0.001 0.307 0.833 0.667 CA 1.069 Z: 89 46.893 2.152 0.728 0.542 0.875 0.534 CB 1.475 89 residues pruned to eliminate duplicates Z: 18 29.798 2.008 0.899 0.930 1.000 0.647 CB 1.325 18 residues pruned to eliminate duplicates Z: 59 30.393 2.075 0.528 0.551 0.845 0.586 CB 1.418 59 residues pruned to eliminate duplicates Z: 13 19.059 1.992 0.362 0.937 1.000 0.917 CB 1.410 13 residues pruned to eliminate duplicates Z: 36 54.893 2.391 0.701 0.848 0.971 0.743 CB 1.742 36 residues pruned to eliminate duplicates Z: 15 9.194 1.843 0.262 0.547 0.857 0.643 CB 1.177 15 residues pruned to eliminate duplicates Z: 32 33.482 2.094 0.944 0.582 0.935 0.742 CB 1.459 18 residues pruned to eliminate duplicates Z: 22 33.973 2.217 0.959 0.720 0.952 0.571 CB 1.469 22 residues pruned to eliminate duplicates Z: 16 17.398 2.202 0.617 0.538 0.933 0.533 CB 1.302 23 residues pruned to eliminate duplicates Z: 99 54.904 2.125 0.767 0.572 0.949 0.592 CB 1.452 99 residues pruned to eliminate duplicates Z: 12 9.409 1.733 0.142 0.793 1.000 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 6 5.610 1.626 0.872 0.679 0.800 0.800 N 0.874 8 residues pruned to eliminate duplicates Z: 10 22.668 2.188 0.949 0.498 1.000 0.556 C 1.776 10 residues pruned to eliminate duplicates Z: 9 17.079 2.002 0.569 0.863 1.000 0.625 CB 1.411 9 residues pruned to eliminate duplicates Z: 6 5.592 1.640 0.508 0.668 1.000 0.600 CB 0.866 6 residues pruned to eliminate duplicates Z: 22 19.041 2.242 0.686 0.363 0.857 0.381 CB 1.486 22 residues pruned to eliminate duplicates Z: 17 31.005 2.112 0.610 0.941 1.000 0.938 CB 1.582 17 residues pruned to eliminate duplicates Z: 7 7.078 1.769 0.902 0.682 1.000 1.000 CB 0.726 Z: 33 19.175 2.206 0.484 0.321 0.781 0.406 CB 1.613 33 residues pruned to eliminate duplicates Z: 17 21.717 2.031 0.348 0.877 1.000 0.688 CA 1.439 17 residues pruned to eliminate duplicates Z: 10 3.663 1.387 0.800 0.300 0.889 0.444 CB 0.688 5 residues pruned to eliminate duplicates Z: 30 13.658 1.777 0.422 0.433 0.828 0.517 CB 1.301 30 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.664 1.647 -0.136 0.573 1.000 0.800 CB 1.073 6 residues pruned to eliminate duplicates Z: 7 6.635 1.834 0.169 0.585 1.000 0.667 CB 1.164 7 residues pruned to eliminate duplicates Z: 7 5.820 1.611 0.121 0.598 1.000 0.667 N 1.198 7 residues pruned to eliminate duplicates Z: 6 2.829 1.709 0.165 0.286 0.800 0.400 N 1.011 Z: 6 3.140 1.358 0.217 0.368 1.000 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 7 4.736 1.653 0.031 0.415 0.833 0.333 CB 1.487 5 residues pruned to eliminate duplicates Z: 6 3.710 1.724 0.789 0.182 0.600 0.200 CA 1.314 5 residues pruned to eliminate duplicates Z: 6 4.090 1.739 0.696 0.356 0.600 0.600 CA 1.207 Z: 6 6.638 1.831 1.025 0.376 0.600 0.600 N 1.523 6 residues pruned to eliminate duplicates Z: 15 18.495 2.218 0.606 0.424 0.857 0.500 CB 1.752 25 residues pruned to eliminate duplicates Z: 6 4.141 1.753 0.431 0.156 0.800 0.200 N 1.407 6 residues pruned to eliminate duplicates Z: 24 24.939 2.286 0.800 0.450 0.826 0.348 CB 1.611 139 residues pruned to eliminate duplicates Z: 20 14.143 1.954 0.595 0.396 0.789 0.368 CA 1.472 20 residues pruned to eliminate duplicates Z: 12 13.441 2.092 0.433 0.421 0.909 0.273 CB 1.615 Z: 18 29.548 2.227 0.901 0.706 1.000 0.588 CB 1.404 Z: 14 30.857 2.363 0.798 0.845 1.000 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 33 30.914 2.313 0.649 0.533 0.906 0.531 CB 1.530 18 residues pruned to eliminate duplicates Z: 15 29.812 2.331 0.655 0.846 1.000 0.714 CB 1.535 15 residues pruned to eliminate duplicates Z: 99 52.395 2.141 0.733 0.565 0.898 0.582 CB 1.491 36 residues pruned to eliminate duplicates Z: 14 28.632 2.337 0.682 0.807 0.923 0.692 CB 1.674 14 residues pruned to eliminate duplicates Z: 110 54.724 2.182 0.710 0.529 0.917 0.514 CB 1.487 108 residues pruned to eliminate duplicates Z: 13 33.957 2.376 0.832 0.818 1.000 0.833 CA 1.708 13 residues pruned to eliminate duplicates Z: 74 43.044 2.208 0.690 0.558 0.863 0.479 CB 1.479 74 residues pruned to eliminate duplicates Z: 73 53.378 2.297 0.810 0.576 0.903 0.514 CB 1.557 73 residues pruned to eliminate duplicates Z: 27 32.925 2.283 0.825 0.569 0.923 0.538 CB 1.571 27 residues pruned to eliminate duplicates Z: 94 46.614 2.137 0.737 0.558 0.882 0.591 CB 1.396 94 residues pruned to eliminate duplicates Z: 44 35.865 2.302 0.692 0.461 0.884 0.488 CB 1.654 44 residues pruned to eliminate duplicates Z: 91 52.528 2.150 0.785 0.578 0.922 0.567 CB 1.451 93 residues pruned to eliminate duplicates Z: 17 24.481 2.136 0.669 0.805 0.875 0.750 CA 1.503 17 residues pruned to eliminate duplicates Z: 67 55.335 2.303 0.811 0.609 0.939 0.591 CB 1.567 67 residues pruned to eliminate duplicates Z: 75 51.227 2.250 0.715 0.559 0.932 0.541 CB 1.562 75 residues pruned to eliminate duplicates Z: 86 45.911 2.129 0.707 0.539 0.906 0.612 CB 1.456 86 residues pruned to eliminate duplicates Z: 106 59.648 2.254 0.819 0.515 0.895 0.524 CB 1.561 214 residues pruned to eliminate duplicates Z: 93 52.030 2.167 0.705 0.575 0.935 0.620 CB 1.461 Z: 7 10.275 1.950 0.706 0.503 0.833 0.667 CA 1.508 7 residues pruned to eliminate duplicates Z: 37 31.125 2.256 0.607 0.505 0.944 0.556 CB 1.507 37 residues pruned to eliminate duplicates Z: 108 51.283 2.137 0.750 0.524 0.888 0.551 CB 1.459 94 residues pruned to eliminate duplicates Z: 6 3.524 1.364 0.799 0.454 1.000 0.600 CB 0.674 6 residues pruned to eliminate duplicates Z: 37 33.757 2.242 0.770 0.532 0.889 0.611 CB 1.546 37 residues pruned to eliminate duplicates Z: 35 30.329 2.210 0.742 0.546 0.853 0.559 CB 1.514 35 residues pruned to eliminate duplicates Z: 14 10.990 1.982 0.884 0.231 0.846 0.538 CB 1.319 14 residues pruned to eliminate duplicates Z: 85 54.912 2.264 0.815 0.566 0.893 0.619 CB 1.532 84 residues pruned to eliminate duplicates Z: 20 29.422 2.226 0.740 0.730 0.895 0.474 CB 1.583 20 residues pruned to eliminate duplicates Z: 84 46.478 2.157 0.751 0.573 0.892 0.578 CB 1.412 84 residues pruned to eliminate duplicates Z: 94 51.582 2.169 0.704 0.568 0.935 0.667 CB 1.449 94 residues pruned to eliminate duplicates Z: 99 54.148 2.157 0.711 0.559 0.939 0.633 CB 1.491 98 residues pruned to eliminate duplicates Z: 15 29.891 2.417 0.873 0.769 0.857 0.429 CB 1.622 15 residues pruned to eliminate duplicates Z: 119 54.414 2.159 0.721 0.538 0.890 0.602 CB 1.459 228 residues pruned to eliminate duplicates Z: 93 51.937 2.181 0.686 0.582 0.935 0.641 CB 1.455 Z: 14 22.802 2.138 0.917 0.789 0.769 0.538 CB 1.556 14 residues pruned to eliminate duplicates Z: 69 52.508 2.259 0.793 0.572 0.971 0.529 CB 1.511 69 residues pruned to eliminate duplicates Z: 92 51.564 2.192 0.815 0.537 0.890 0.637 CB 1.472 76 residues pruned to eliminate duplicates Z: 14 23.949 2.147 0.859 0.766 0.846 0.615 CB 1.553 14 residues pruned to eliminate duplicates Z: 94 48.510 2.125 0.742 0.544 0.935 0.559 CB 1.391 94 residues pruned to eliminate duplicates Z: 82 55.800 2.268 0.814 0.566 0.926 0.593 CB 1.527 85 residues pruned to eliminate duplicates Z: 15 36.644 2.378 0.933 0.814 1.000 0.714 CB 1.622 15 residues pruned to eliminate duplicates Z: 97 51.780 2.154 0.752 0.558 0.917 0.646 CB 1.445 97 residues pruned to eliminate duplicates Z: 13 26.934 2.340 1.158 0.760 0.833 0.250 CB 1.467 13 residues pruned to eliminate duplicates Z: 66 36.993 2.035 0.722 0.574 0.892 0.492 CB 1.366 66 residues pruned to eliminate duplicates Z: 30 25.726 2.041 0.639 0.594 0.931 0.621 CB 1.402 30 residues pruned to eliminate duplicates Z: 34 39.474 2.230 0.938 0.677 0.970 0.576 CB 1.393 34 residues pruned to eliminate duplicates Z: 78 48.362 2.197 0.759 0.557 0.922 0.636 CB 1.463 78 residues pruned to eliminate duplicates Z: 58 38.634 2.083 0.725 0.606 0.947 0.632 CB 1.359 58 residues pruned to eliminate duplicates Z: 74 53.755 2.261 0.841 0.576 0.932 0.521 CB 1.509 74 residues pruned to eliminate duplicates Z: 108 52.065 2.175 0.673 0.548 0.897 0.598 CB 1.471 107 residues pruned to eliminate duplicates Z: 15 18.780 1.990 0.772 0.719 0.929 0.571 CB 1.258 15 residues pruned to eliminate duplicates Z: 47 31.288 1.958 0.657 0.586 0.957 0.609 CB 1.369 47 residues pruned to eliminate duplicates Z: 48 27.659 1.900 0.728 0.569 0.915 0.553 CB 1.256 48 residues pruned to eliminate duplicates Z: 98 51.887 2.143 0.690 0.569 0.918 0.505 CB 1.483 98 residues pruned to eliminate duplicates Z: 108 51.983 2.159 0.720 0.566 0.888 0.570 CB 1.430 108 residues pruned to eliminate duplicates Z: 99 50.353 2.135 0.755 0.558 0.898 0.612 CB 1.429 98 residues pruned to eliminate duplicates Z: 13 19.557 1.980 0.919 0.853 1.000 0.667 CB 1.098 13 residues pruned to eliminate duplicates Z: 99 54.330 2.159 0.767 0.593 0.908 0.653 CB 1.449 100 residues pruned to eliminate duplicates Z: 13 18.693 2.114 0.837 0.868 0.917 0.583 CB 1.108 13 residues pruned to eliminate duplicates Z: 42 37.467 2.123 0.880 0.637 0.951 0.707 CB 1.355 42 residues pruned to eliminate duplicates Z: 65 39.288 2.030 0.803 0.599 0.906 0.562 CB 1.347 65 residues pruned to eliminate duplicates Z: 93 54.939 2.180 0.801 0.588 0.924 0.620 CB 1.451 93 residues pruned to eliminate duplicates Z: 108 52.998 2.118 0.777 0.550 0.907 0.551 CB 1.431 108 residues pruned to eliminate duplicates Z: 99 51.979 2.152 0.744 0.576 0.888 0.622 CB 1.465 99 residues pruned to eliminate duplicates Z: 97 53.759 2.163 0.787 0.575 0.906 0.604 CB 1.456 97 residues pruned to eliminate duplicates Z: 102 50.593 2.146 0.749 0.570 0.891 0.564 CB 1.407 102 residues pruned to eliminate duplicates Z: 98 54.128 2.154 0.771 0.570 0.918 0.536 CB 1.468 98 residues pruned to eliminate duplicates Z: 98 53.717 2.154 0.766 0.565 0.907 0.557 CB 1.484 98 residues pruned to eliminate duplicates Z: 85 45.774 2.154 0.759 0.563 0.893 0.631 CB 1.389 85 residues pruned to eliminate duplicates Z: 112 51.379 2.124 0.643 0.598 0.910 0.604 CB 1.399 180 residues pruned to eliminate duplicates Z: 6 2.483 1.570 0.509 0.399 0.600 0.600 CA 0.869 6 residues pruned to eliminate duplicates Z: 10 12.463 1.956 0.696 0.661 0.778 0.778 CB 1.387 10 residues pruned to eliminate duplicates Z: 20 13.792 1.754 0.598 0.501 0.842 0.632 CB 1.339 20 residues pruned to eliminate duplicates Z: 62 34.105 1.990 0.746 0.582 0.885 0.607 CB 1.313 62 residues pruned to eliminate duplicates Z: 62 36.766 2.007 0.736 0.599 0.918 0.639 CB 1.340 62 residues pruned to eliminate duplicates Z: 63 33.759 1.983 0.692 0.554 0.903 0.597 CB 1.342 63 residues pruned to eliminate duplicates Z: 15 15.106 2.101 0.568 0.349 0.929 0.714 CB 1.555 Z: 6 9.622 1.766 1.584 0.314 1.000 0.400 CA 1.159 6 residues pruned to eliminate duplicates Z: 16 15.752 1.984 0.615 0.400 0.933 0.733 CB 1.512 16 residues pruned to eliminate duplicates Z: 6 5.345 1.762 1.200 0.298 0.600 0.400 N 1.289 6 residues pruned to eliminate duplicates Z: 17 15.068 1.936 0.786 0.361 0.938 0.750 CB 1.350 18 residues pruned to eliminate duplicates Z: 6 4.614 2.025 0.217 0.300 0.800 0.600 CA 1.310 Z: 6 6.384 1.779 0.509 0.487 1.000 0.600 CA 1.078 5 residues pruned to eliminate duplicates Z: 7 11.974 2.298 0.533 0.532 0.833 0.500 CA 1.614 Z: 7 5.974 2.036 0.516 0.309 0.833 0.333 CA 1.172 7 residues pruned to eliminate duplicates Z: 23 32.024 2.422 0.726 0.445 0.909 0.455 CB 1.901 14 residues pruned to eliminate duplicates Z: 9 14.095 2.118 0.753 0.448 0.875 0.500 CB 1.618 9 residues pruned to eliminate duplicates Z: 44 47.530 2.399 0.873 0.505 0.907 0.512 CB 1.770 38 residues pruned to eliminate duplicates Z: 6 9.563 1.963 1.213 0.258 0.800 0.600 CB 1.623 Z: 9 14.381 1.908 1.283 0.432 0.750 0.375 CA 1.670 9 residues pruned to eliminate duplicates Z: 38 31.687 2.323 0.807 0.424 0.838 0.459 CB 1.604 38 residues pruned to eliminate duplicates Z: 6 8.941 1.658 1.042 0.490 1.000 0.600 CA 1.193 6 residues pruned to eliminate duplicates Z: 8 13.924 2.104 1.076 0.360 0.857 0.286 CB 1.634 8 residues pruned to eliminate duplicates Z: 52 39.684 2.200 0.690 0.607 0.863 0.569 CB 1.566 52 residues pruned to eliminate duplicates Z: 36 40.330 2.288 0.837 0.563 0.914 0.429 CB 1.669 36 residues pruned to eliminate duplicates Z: 16 12.101 2.154 0.577 0.193 0.800 0.467 CA 1.658 16 residues pruned to eliminate duplicates Z: 36 31.932 2.126 0.725 0.523 0.886 0.514 CA 1.624 Z: 10 8.836 1.680 0.294 0.565 0.889 0.333 C 1.430 10 residues pruned to eliminate duplicates Z: 97 48.631 2.171 0.662 0.565 0.896 0.625 CB 1.442 133 residues pruned to eliminate duplicates Z: 38 32.512 2.219 0.628 0.541 0.892 0.514 CB 1.594 38 residues pruned to eliminate duplicates Z: 32 35.524 2.212 0.704 0.576 0.968 0.613 CB 1.626 Z: 22 36.776 2.242 0.644 0.821 1.000 0.857 CB 1.649 22 residues pruned to eliminate duplicates Z: 23 40.076 2.262 0.807 0.776 1.000 0.818 CB 1.639 23 residues pruned to eliminate duplicates Z: 31 33.819 2.191 0.677 0.609 0.933 0.700 CA 1.624 31 residues pruned to eliminate duplicates Z: 36 36.548 2.197 0.729 0.570 0.914 0.543 CB 1.662 68 residues pruned to eliminate duplicates Z: 83 47.680 2.222 0.662 0.511 0.878 0.573 CB 1.605 83 residues pruned to eliminate duplicates Z: 39 37.641 2.218 0.799 0.542 0.921 0.579 CB 1.594 39 residues pruned to eliminate duplicates Z: 30 36.210 2.260 0.678 0.635 0.931 0.690 CB 1.678 Z: 20 42.494 2.303 0.985 0.908 0.947 0.737 CB 1.599 20 residues pruned to eliminate duplicates Z: 25 39.676 2.216 0.866 0.767 0.958 0.750 CB 1.613 25 residues pruned to eliminate duplicates Z: 33 32.027 2.256 0.712 0.551 0.906 0.719 CB 1.540 30 residues pruned to eliminate duplicates Z: 21 42.468 2.222 0.918 0.922 1.000 0.750 CB 1.567 21 residues pruned to eliminate duplicates Z: 37 36.730 2.266 0.689 0.535 0.889 0.611 CB 1.739 70 residues pruned to eliminate duplicates Z: 36 35.326 2.189 0.573 0.792 0.943 0.743 CB 1.424 36 residues pruned to eliminate duplicates Z: 21 42.006 2.297 0.971 0.875 0.950 0.750 CB 1.588 Z: 20 40.483 2.283 0.981 0.901 0.947 0.737 CB 1.547 20 residues pruned to eliminate duplicates Z: 21 38.833 2.257 0.876 0.839 1.000 0.800 CB 1.532 21 residues pruned to eliminate duplicates Z: 40 30.255 2.094 0.704 0.525 0.897 0.590 CB 1.476 61 residues pruned to eliminate duplicates Z: 24 34.660 2.243 0.787 0.777 0.913 0.783 CB 1.546 Z: 22 35.511 2.241 0.803 0.892 0.905 0.667 CB 1.523 22 residues pruned to eliminate duplicates Z: 33 32.842 2.236 0.459 0.861 0.906 0.812 CB 1.443 57 residues pruned to eliminate duplicates Z: 135 60.851 2.231 0.543 0.596 0.918 0.649 CB 1.517 135 residues pruned to eliminate duplicates Z: 52 32.943 2.138 0.497 0.642 0.882 0.588 CB 1.431 52 residues pruned to eliminate duplicates Z: 81 40.481 2.158 0.475 0.586 0.938 0.625 CB 1.396 81 residues pruned to eliminate duplicates Z: 59 43.679 2.193 0.723 0.651 0.948 0.672 CB 1.391 59 residues pruned to eliminate duplicates Z: 22 23.083 2.148 0.495 0.795 0.905 0.571 CB 1.338 22 residues pruned to eliminate duplicates Z: 67 40.695 2.155 0.660 0.611 0.924 0.636 CB 1.364 67 residues pruned to eliminate duplicates Z: 36 38.457 2.172 0.749 0.818 0.943 0.771 CB 1.377 36 residues pruned to eliminate duplicates Z: 37 40.896 2.216 0.695 0.799 0.944 0.694 CB 1.479 37 residues pruned to eliminate duplicates Z: 40 31.948 2.104 0.593 0.711 0.949 0.667 CB 1.328 40 residues pruned to eliminate duplicates Z: 38 34.061 2.153 0.704 0.772 0.892 0.622 CB 1.345 38 residues pruned to eliminate duplicates Z: 24 22.417 2.124 0.579 0.782 0.826 0.609 CB 1.316 24 residues pruned to eliminate duplicates Z: 13 11.953 1.988 0.243 0.861 0.917 0.750 CB 1.119 13 residues pruned to eliminate duplicates Z: 95 50.800 2.143 0.655 0.614 0.936 0.681 CB 1.416 95 residues pruned to eliminate duplicates Z: 47 36.691 2.171 0.805 0.646 0.870 0.674 CB 1.385 47 residues pruned to eliminate duplicates Z: 87 43.753 2.163 0.659 0.588 0.849 0.570 CB 1.424 87 residues pruned to eliminate duplicates Z: 54 31.893 2.074 0.659 0.592 0.887 0.547 CB 1.315 54 residues pruned to eliminate duplicates Z: 69 38.286 2.151 0.635 0.569 0.926 0.618 CB 1.333 69 residues pruned to eliminate duplicates Z: 71 43.100 2.151 0.537 0.666 0.943 0.700 CB 1.417 71 residues pruned to eliminate duplicates Z: 97 51.180 2.228 0.633 0.562 0.885 0.656 CB 1.527 97 residues pruned to eliminate duplicates Z: 71 46.288 2.178 0.648 0.660 0.943 0.671 CB 1.410 71 residues pruned to eliminate duplicates Z: 70 43.666 2.181 0.721 0.573 0.899 0.681 CB 1.452 70 residues pruned to eliminate duplicates Z: 57 36.490 2.172 0.582 0.584 0.893 0.607 CB 1.467 57 residues pruned to eliminate duplicates Z: 81 44.323 2.151 0.639 0.602 0.913 0.688 CB 1.398 81 residues pruned to eliminate duplicates Z: 88 45.514 2.139 0.646 0.557 0.908 0.609 CB 1.443 88 residues pruned to eliminate duplicates Z: 143 70.579 2.255 0.692 0.592 0.908 0.627 CB 1.565 143 residues pruned to eliminate duplicates Z: 51 34.311 2.146 0.578 0.621 0.920 0.720 CB 1.389 51 residues pruned to eliminate duplicates Z: 72 49.024 2.186 0.683 0.671 0.930 0.676 CB 1.452 72 residues pruned to eliminate duplicates Z: 86 43.987 2.136 0.644 0.594 0.882 0.624 CB 1.408 86 residues pruned to eliminate duplicates Z: 70 46.785 2.184 0.685 0.668 0.928 0.710 CB 1.413 70 residues pruned to eliminate duplicates Z: 43 22.333 2.051 0.575 0.477 0.857 0.524 CB 1.275 43 residues pruned to eliminate duplicates Z: 35 26.753 2.160 0.618 0.544 0.882 0.676 CB 1.425 35 residues pruned to eliminate duplicates Z: 52 28.902 2.084 0.597 0.576 0.882 0.608 CB 1.281 52 residues pruned to eliminate duplicates Z: 65 32.274 2.040 0.640 0.530 0.844 0.531 CB 1.388 65 residues pruned to eliminate duplicates Z: 113 57.260 2.181 0.669 0.616 0.911 0.670 CB 1.462 113 residues pruned to eliminate duplicates Z: 57 40.813 2.177 0.695 0.624 0.929 0.661 CB 1.417 57 residues pruned to eliminate duplicates Z: 26 20.897 2.064 0.589 0.665 0.920 0.640 CB 1.189 26 residues pruned to eliminate duplicates Z: 75 45.508 2.165 0.641 0.650 0.905 0.622 CB 1.431 75 residues pruned to eliminate duplicates Z: 123 61.274 2.177 0.677 0.618 0.926 0.656 CB 1.468 123 residues pruned to eliminate duplicates Z: 34 21.736 2.077 0.656 0.543 0.788 0.485 CB 1.338 34 residues pruned to eliminate duplicates Z: 85 52.121 2.184 0.785 0.627 0.881 0.643 CB 1.470 85 residues pruned to eliminate duplicates Z: 48 36.152 2.165 0.864 0.538 0.894 0.532 CB 1.409 48 residues pruned to eliminate duplicates Z: 66 42.348 2.166 0.636 0.650 0.908 0.600 CB 1.419 66 residues pruned to eliminate duplicates Z: 38 26.765 2.122 0.542 0.614 0.865 0.676 CB 1.396 38 residues pruned to eliminate duplicates Z: 18 16.005 1.971 0.704 0.473 0.824 0.529 CB 1.442 18 residues pruned to eliminate duplicates Z: 37 32.931 2.179 0.752 0.647 0.861 0.750 CB 1.456 37 residues pruned to eliminate duplicates Z: 69 47.821 2.285 0.673 0.545 0.897 0.588 CB 1.618 69 residues pruned to eliminate duplicates Z: 38 34.774 2.173 0.791 0.642 0.892 0.703 CB 1.442 38 residues pruned to eliminate duplicates Z: 37 33.051 2.145 0.704 0.639 0.917 0.694 CB 1.443 37 residues pruned to eliminate duplicates Z: 35 39.213 2.220 0.908 0.668 0.912 0.765 CB 1.491 35 residues pruned to eliminate duplicates Z: 64 40.250 2.222 0.652 0.545 0.889 0.619 CB 1.487 64 residues pruned to eliminate duplicates Z: 36 38.415 2.195 0.914 0.663 0.914 0.657 CB 1.453 36 residues pruned to eliminate duplicates Z: 38 32.451 2.165 0.722 0.643 0.865 0.649 CB 1.447 38 residues pruned to eliminate duplicates Z: 35 34.776 2.154 0.852 0.661 0.912 0.765 CB 1.413 35 residues pruned to eliminate duplicates Z: 36 30.770 2.137 0.748 0.614 0.886 0.686 CB 1.412 36 residues pruned to eliminate duplicates Z: 59 45.323 2.260 0.711 0.633 0.879 0.793 CB 1.545 59 residues pruned to eliminate duplicates Z: 58 49.049 2.288 0.776 0.617 0.912 0.719 CB 1.569 58 residues pruned to eliminate duplicates Z: 116 52.947 2.123 0.718 0.596 0.896 0.635 CB 1.380 116 residues pruned to eliminate duplicates Z: 36 35.593 2.214 0.850 0.657 0.857 0.743 CB 1.480 36 residues pruned to eliminate duplicates Z: 37 36.863 2.165 0.914 0.664 0.889 0.750 CB 1.433 37 residues pruned to eliminate duplicates Z: 66 49.959 2.264 0.701 0.579 0.908 0.677 CB 1.642 66 residues pruned to eliminate duplicates Z: 44 28.006 2.023 0.694 0.553 0.930 0.721 CB 1.272 44 residues pruned to eliminate duplicates Z: 21 27.168 2.125 0.597 0.756 0.950 0.800 CB 1.500 21 residues pruned to eliminate duplicates Z: 108 52.033 2.158 0.650 0.597 0.925 0.607 CB 1.392 108 residues pruned to eliminate duplicates Z: 44 39.966 2.250 0.535 0.624 0.953 0.628 CA 1.646 44 residues pruned to eliminate duplicates Z: 36 31.709 2.154 0.745 0.621 0.886 0.686 CB 1.435 36 residues pruned to eliminate duplicates Z: 35 34.201 2.163 0.837 0.665 0.912 0.765 CB 1.390 35 residues pruned to eliminate duplicates Z: 36 34.986 2.138 0.821 0.643 0.943 0.629 CB 1.409 36 residues pruned to eliminate duplicates Z: 15 25.171 2.101 0.616 0.851 1.000 0.929 CB 1.467 15 residues pruned to eliminate duplicates Z: 23 21.471 2.013 0.510 0.721 0.909 0.773 CB 1.357 23 residues pruned to eliminate duplicates Z: 23 25.054 2.087 0.644 0.716 0.955 0.727 CB 1.342 23 residues pruned to eliminate duplicates Z: 38 36.070 2.151 1.021 0.640 0.892 0.703 CB 1.342 38 residues pruned to eliminate duplicates Z: 21 32.825 2.136 1.106 0.765 0.950 0.700 CB 1.357 21 residues pruned to eliminate duplicates Z: 38 34.186 2.133 1.004 0.639 0.865 0.622 CB 1.335 38 residues pruned to eliminate duplicates Z: 23 22.571 2.034 0.822 0.702 0.955 0.545 CB 1.132 23 residues pruned to eliminate duplicates Z: 24 24.491 2.045 0.891 0.663 0.870 0.478 CB 1.305 24 residues pruned to eliminate duplicates Z: 27 22.265 1.990 0.815 0.586 0.846 0.346 CB 1.316 27 residues pruned to eliminate duplicates Z: 57 47.006 2.249 0.884 0.607 0.911 0.643 CB 1.472 57 residues pruned to eliminate duplicates Z: 35 41.346 2.392 0.828 0.514 0.912 0.559 CB 1.755 35 residues pruned to eliminate duplicates Z: 50 50.692 2.342 0.871 0.623 0.878 0.592 CB 1.678 50 residues pruned to eliminate duplicates Z: 12 13.289 1.980 0.825 0.403 0.818 0.364 CB 1.501 12 residues pruned to eliminate duplicates Z: 50 53.027 2.330 0.796 0.652 0.939 0.612 CB 1.674 50 residues pruned to eliminate duplicates Z: 52 45.554 2.231 0.883 0.571 0.922 0.569 CB 1.539 52 residues pruned to eliminate duplicates Z: 50 49.908 2.319 0.884 0.613 0.878 0.449 CB 1.671 50 residues pruned to eliminate duplicates Z: 23 35.985 2.424 0.707 0.598 0.955 0.682 CB 1.770 23 residues pruned to eliminate duplicates Z: 29 40.927 2.428 0.734 0.528 0.964 0.643 CB 1.853 29 residues pruned to eliminate duplicates Z: 29 32.978 2.419 0.639 0.438 0.893 0.679 CA 1.877 29 residues pruned to eliminate duplicates Z: 29 32.462 2.419 0.755 0.421 0.857 0.607 CA 1.830 29 residues pruned to eliminate duplicates Z: 21 30.390 2.426 0.715 0.520 0.850 0.600 CB 1.884 21 residues pruned to eliminate duplicates Z: 30 34.860 2.427 0.581 0.514 0.931 0.517 CB 1.787 30 residues pruned to eliminate duplicates Z: 67 51.417 2.225 0.940 0.562 0.909 0.561 CB 1.518 67 residues pruned to eliminate duplicates Z: 52 51.631 2.304 0.870 0.617 0.941 0.588 CB 1.596 52 residues pruned to eliminate duplicates Z: 30 39.501 2.450 0.885 0.536 0.828 0.759 CA 1.854 30 residues pruned to eliminate duplicates Z: 31 38.374 2.395 0.667 0.533 0.933 0.700 CA 1.821 31 residues pruned to eliminate duplicates Z: 29 39.947 2.394 0.822 0.509 0.929 0.607 CB 1.847 29 residues pruned to eliminate duplicates Z: 38 31.300 2.226 0.699 0.481 0.892 0.595 CB 1.556 38 residues pruned to eliminate duplicates Z: 62 52.209 2.395 0.628 0.557 0.918 0.689 CB 1.766 62 residues pruned to eliminate duplicates Z: 28 41.338 2.512 0.779 0.514 0.889 0.667 CB 1.975 28 residues pruned to eliminate duplicates Z: 29 38.698 2.446 0.708 0.522 0.929 0.679 CB 1.846 29 residues pruned to eliminate duplicates Z: 29 42.600 2.464 0.794 0.531 0.964 0.714 CB 1.832 29 residues pruned to eliminate duplicates Z: 53 54.594 2.308 0.904 0.643 0.923 0.692 CB 1.633 53 residues pruned to eliminate duplicates Z: 31 42.328 2.408 0.739 0.529 0.933 0.700 CA 1.922 31 residues pruned to eliminate duplicates Z: 29 43.284 2.453 0.746 0.563 0.929 0.643 CA 1.935 29 residues pruned to eliminate duplicates Z: 114 56.313 2.182 0.768 0.581 0.894 0.549 CB 1.422 114 residues pruned to eliminate duplicates Z: 81 61.596 2.289 0.785 0.615 0.900 0.700 CB 1.679 81 residues pruned to eliminate duplicates Z: 47 42.121 2.342 0.560 0.555 0.913 0.652 CB 1.766 47 residues pruned to eliminate duplicates Z: 29 38.335 2.416 0.622 0.539 0.964 0.679 CB 1.844 29 residues pruned to eliminate duplicates Z: 64 58.254 2.383 0.690 0.591 0.937 0.698 CB 1.784 64 residues pruned to eliminate duplicates Z: 9 5.331 1.821 0.168 0.623 0.875 0.750 CB 0.902 9 residues pruned to eliminate duplicates Z: 10 5.816 1.752 0.297 0.536 0.889 0.556 CB 0.927 10 residues pruned to eliminate duplicates Z: 36 38.211 2.285 0.593 0.624 1.000 0.600 CB 1.579 36 residues pruned to eliminate duplicates Z: 37 38.321 2.253 0.769 0.640 0.889 0.694 CB 1.582 37 residues pruned to eliminate duplicates Z: 36 40.896 2.283 0.804 0.606 0.914 0.657 CA 1.659 36 residues pruned to eliminate duplicates Z: 31 37.454 2.321 0.742 0.589 0.933 0.567 CA 1.665 31 residues pruned to eliminate duplicates Z: 30 39.527 2.353 0.689 0.624 0.931 0.621 CA 1.764 30 residues pruned to eliminate duplicates Z: 100 66.650 2.288 0.820 0.601 0.909 0.586 CB 1.608 100 residues pruned to eliminate duplicates Z: 30 42.370 2.404 0.714 0.647 0.931 0.690 CA 1.789 30 residues pruned to eliminate duplicates Z: 25 32.231 2.357 0.743 0.636 0.875 0.708 CA 1.611 25 residues pruned to eliminate duplicates Z: 39 30.785 2.188 0.614 0.551 0.842 0.658 CB 1.598 39 residues pruned to eliminate duplicates Z: 35 37.124 2.313 0.594 0.599 0.912 0.676 CA 1.723 35 residues pruned to eliminate duplicates Z: 36 38.201 2.278 0.666 0.610 0.914 0.743 CB 1.676 36 residues pruned to eliminate duplicates Z: 36 40.894 2.332 0.714 0.592 0.943 0.686 CA 1.681 36 residues pruned to eliminate duplicates Z: 25 31.838 2.313 0.799 0.674 0.875 0.708 CB 1.520 25 residues pruned to eliminate duplicates Z: 35 39.005 2.366 0.682 0.602 0.882 0.647 CA 1.729 35 residues pruned to eliminate duplicates Z: 23 50.757 2.497 1.013 0.715 0.955 0.727 CA 1.857 23 residues pruned to eliminate duplicates Z: 33 34.764 2.357 0.583 0.577 0.875 0.594 CB 1.748 33 residues pruned to eliminate duplicates Z: 25 33.211 2.278 0.763 0.672 0.917 0.750 CA 1.570 25 residues pruned to eliminate duplicates Z: 26 28.740 2.286 0.704 0.649 0.800 0.720 CA 1.604 26 residues pruned to eliminate duplicates Z: 36 36.784 2.306 0.713 0.593 0.857 0.686 CB 1.680 36 residues pruned to eliminate duplicates Z: 32 41.767 2.355 0.803 0.583 0.903 0.710 CB 1.806 32 residues pruned to eliminate duplicates Z: 27 40.047 2.304 1.013 0.553 0.923 0.692 CB 1.743 27 residues pruned to eliminate duplicates Z: 100 58.283 2.254 0.818 0.551 0.879 0.606 CB 1.547 100 residues pruned to eliminate duplicates Z: 30 39.106 2.347 0.659 0.625 0.966 0.655 CB 1.717 30 residues pruned to eliminate duplicates Z: 36 41.639 2.313 0.779 0.602 0.914 0.686 CB 1.698 36 residues pruned to eliminate duplicates Z: 36 40.696 2.335 0.691 0.600 0.943 0.714 CA 1.681 36 residues pruned to eliminate duplicates Z: 32 37.474 2.327 0.701 0.574 0.903 0.516 CB 1.753 32 residues pruned to eliminate duplicates Z: 33 34.498 2.329 0.627 0.549 0.875 0.625 CB 1.754 33 residues pruned to eliminate duplicates Z: 64 54.162 2.370 0.691 0.571 0.921 0.698 CB 1.728 64 residues pruned to eliminate duplicates Z: 30 39.404 2.355 0.711 0.611 0.931 0.690 CA 1.755 30 residues pruned to eliminate duplicates Z: 31 39.667 2.321 0.733 0.601 0.933 0.633 CB 1.753 30 residues pruned to eliminate duplicates Z: 10 12.250 2.028 0.269 0.787 0.889 0.889 CA 1.388 10 residues pruned to eliminate duplicates Z: 20 22.285 2.086 0.700 0.450 0.947 0.737 CB 1.602 20 residues pruned to eliminate duplicates Z: 18 19.525 2.140 0.631 0.404 0.941 0.588 CA 1.594 18 residues pruned to eliminate duplicates Z: 19 27.636 2.096 0.817 0.534 1.000 0.722 CB 1.654 20 residues pruned to eliminate duplicates Z: 10 16.647 1.995 0.668 0.792 1.000 0.778 CA 1.290 10 residues pruned to eliminate duplicates Z: 19 25.913 2.095 0.780 0.515 1.000 0.611 CB 1.614 19 residues pruned to eliminate duplicates Z: 18 25.527 2.147 0.726 0.501 1.000 0.706 CB 1.669 18 residues pruned to eliminate duplicates Z: 19 20.487 2.056 0.707 0.460 1.000 0.500 CA 1.433 19 residues pruned to eliminate duplicates Z: 18 24.166 2.150 0.670 0.486 1.000 0.765 CB 1.656 18 residues pruned to eliminate duplicates Z: 19 23.181 2.111 0.820 0.454 0.944 0.722 CB 1.578 19 residues pruned to eliminate duplicates Z: 18 19.614 2.134 0.629 0.431 0.941 0.706 CB 1.562 18 residues pruned to eliminate duplicates Z: 18 20.009 2.125 0.693 0.427 0.941 0.765 CB 1.546 18 residues pruned to eliminate duplicates Z: 14 25.304 2.216 0.962 0.406 1.000 0.769 CA 1.782 14 residues pruned to eliminate duplicates Z: 22 22.019 2.092 0.646 0.418 0.952 0.667 CB 1.597 22 residues pruned to eliminate duplicates Z: 16 10.054 1.672 0.496 0.397 0.867 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 17 13.713 1.765 0.303 0.882 1.000 0.875 CB 1.079 17 residues pruned to eliminate duplicates Z: 16 14.108 1.784 0.331 0.914 1.000 0.933 CB 1.085 16 residues pruned to eliminate duplicates Z: 16 13.313 1.865 0.152 0.912 1.000 1.000 CB 1.133 16 residues pruned to eliminate duplicates Z: 16 16.839 1.885 0.393 0.919 1.000 0.867 CB 1.167 16 residues pruned to eliminate duplicates Z: 16 16.508 1.866 0.463 0.924 1.000 0.867 CB 1.096 16 residues pruned to eliminate duplicates Z: 15 16.022 1.867 0.428 0.916 1.000 0.929 CB 1.134 15 residues pruned to eliminate duplicates Z: 15 17.968 1.886 0.586 0.926 1.000 0.929 CB 1.126 15 residues pruned to eliminate duplicates Z: 16 17.962 1.866 0.554 0.923 1.000 0.733 CB 1.124 16 residues pruned to eliminate duplicates Z: 16 17.724 1.861 0.597 0.921 1.000 0.667 CB 1.083 16 residues pruned to eliminate duplicates Z: 16 17.575 1.799 0.673 0.921 1.000 0.667 CB 1.061 16 residues pruned to eliminate duplicates Z: 15 18.665 1.865 0.698 0.931 1.000 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 15 16.930 1.878 0.652 0.922 0.929 0.714 CB 1.105 15 residues pruned to eliminate duplicates Z: 17 15.349 1.759 0.597 0.900 0.938 0.625 CB 1.041 17 residues pruned to eliminate duplicates Z: 17 18.353 1.779 0.792 0.876 1.000 0.625 CB 1.046 17 residues pruned to eliminate duplicates Z: 18 25.575 1.914 0.555 0.921 1.000 0.765 CB 1.467 18 residues pruned to eliminate duplicates Z: 16 27.592 2.028 0.564 0.930 1.000 0.867 CB 1.570 16 residues pruned to eliminate duplicates Z: 15 30.652 2.109 0.618 0.939 1.000 0.714 CB 1.668 15 residues pruned to eliminate duplicates Z: 15 30.889 2.094 0.649 0.949 1.000 0.929 CB 1.650 15 residues pruned to eliminate duplicates Z: 16 28.518 2.087 0.548 0.925 1.000 0.600 CB 1.599 16 residues pruned to eliminate duplicates Z: 16 26.551 2.019 0.683 0.878 0.933 0.667 CB 1.568 16 residues pruned to eliminate duplicates Z: 16 28.876 2.032 0.603 0.935 1.000 0.533 CB 1.595 16 residues pruned to eliminate duplicates Z: 11 26.244 2.202 0.744 0.906 1.000 0.600 CB 1.536 11 residues pruned to eliminate duplicates Z: 15 29.713 2.091 0.631 0.943 1.000 0.429 CB 1.614 15 residues pruned to eliminate duplicates Z: 14 29.349 2.146 0.747 0.950 0.923 0.615 CB 1.622 14 residues pruned to eliminate duplicates Z: 16 29.515 2.073 0.672 0.926 1.000 0.600 CB 1.542 16 residues pruned to eliminate duplicates Z: 17 24.582 1.985 0.685 0.917 0.875 0.562 CB 1.482 17 residues pruned to eliminate duplicates Z: 16 28.839 1.987 0.847 0.911 1.000 0.400 CB 1.438 16 residues pruned to eliminate duplicates Z: 15 24.776 1.978 0.908 0.800 0.857 0.429 CB 1.575 15 residues pruned to eliminate duplicates Z: 17 23.178 1.982 0.688 0.816 0.875 0.438 CB 1.504 17 residues pruned to eliminate duplicates Z: 27 25.613 2.035 0.672 0.595 0.923 0.500 CB 1.460 27 residues pruned to eliminate duplicates Z: 29 25.747 1.985 0.535 0.651 0.964 0.643 CB 1.439 29 residues pruned to eliminate duplicates Z: 14 10.297 1.887 0.329 0.444 0.923 0.462 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 13.788 2.047 0.437 0.482 1.000 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 14.526 2.040 0.504 0.479 1.000 0.667 CB 1.396 13 residues pruned to eliminate duplicates Z: 13 16.242 2.060 0.714 0.483 1.000 0.667 CB 1.352 13 residues pruned to eliminate duplicates Z: 13 16.872 2.089 0.760 0.445 1.000 0.667 CB 1.401 13 residues pruned to eliminate duplicates Z: 30 25.184 1.988 0.584 0.635 0.931 0.655 CB 1.405 30 residues pruned to eliminate duplicates Z: 14 12.635 1.958 0.538 0.479 0.923 0.769 CB 1.288 14 residues pruned to eliminate duplicates Z: 30 25.511 1.966 0.612 0.620 0.966 0.621 CB 1.382 30 residues pruned to eliminate duplicates Z: 14 14.011 1.975 0.545 0.512 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 13 15.740 2.048 0.583 0.503 1.000 0.750 CB 1.397 13 residues pruned to eliminate duplicates Z: 25 36.762 2.482 0.882 0.434 0.917 0.375 CB 1.875 25 residues pruned to eliminate duplicates Z: 20 34.222 2.499 0.707 0.487 0.947 0.316 CB 1.968 20 residues pruned to eliminate duplicates Z: 26 33.036 2.420 0.835 0.460 0.880 0.520 CB 1.761 26 residues pruned to eliminate duplicates Z: 20 27.415 2.433 0.636 0.429 0.895 0.368 CA 1.902 20 residues pruned to eliminate duplicates Z: 20 32.008 2.461 0.763 0.446 0.947 0.316 CA 1.887 20 residues pruned to eliminate duplicates Z: 25 37.653 2.461 0.967 0.431 0.917 0.375 CA 1.861 25 residues pruned to eliminate duplicates Z: 79 46.120 2.174 0.776 0.477 0.923 0.551 CB 1.500 79 residues pruned to eliminate duplicates Z: 20 34.477 2.504 0.896 0.458 0.895 0.526 CB 1.945 20 residues pruned to eliminate duplicates Z: 27 34.796 2.395 0.939 0.469 0.885 0.423 CB 1.715 27 residues pruned to eliminate duplicates Z: 29 36.414 2.489 0.877 0.446 0.857 0.500 CB 1.817 50 residues pruned to eliminate duplicates Z: 24 22.688 2.345 0.734 0.382 0.870 0.478 CB 1.517 24 residues pruned to eliminate duplicates Z: 19 23.176 2.396 0.680 0.365 0.944 0.500 CB 1.661 19 residues pruned to eliminate duplicates Z: 40 26.482 2.274 0.752 0.299 0.872 0.385 CB 1.527 112 residues pruned to eliminate duplicates Z: 25 40.880 2.473 0.975 0.440 0.958 0.458 CB 1.896 25 residues pruned to eliminate duplicates Z: 19 7.603 1.790 0.476 0.255 0.778 0.444 CB 1.154 25 residues pruned to eliminate duplicates Z: 46 30.916 2.268 0.760 0.399 0.867 0.422 CB 1.482 46 residues pruned to eliminate duplicates Z: 25 38.512 2.483 1.004 0.471 0.875 0.583 CB 1.858 25 residues pruned to eliminate duplicates Z: 30 36.664 2.405 0.980 0.425 0.897 0.379 CB 1.724 30 residues pruned to eliminate duplicates Z: 27 30.352 2.304 0.857 0.390 0.885 0.423 CB 1.766 27 residues pruned to eliminate duplicates Z: 12 8.774 1.978 1.009 0.261 0.727 0.273 CB 1.203 12 residues pruned to eliminate duplicates Z: 38 32.590 2.229 0.912 0.489 0.865 0.514 CB 1.470 Z: 18 32.501 2.164 0.826 0.755 1.000 0.706 CB 1.589 24 residues pruned to eliminate duplicates Z: 15 32.823 2.272 0.814 0.846 1.000 0.643 CB 1.581 15 residues pruned to eliminate duplicates Z: 65 45.294 2.126 0.823 0.582 0.969 0.609 CB 1.393 30 residues pruned to eliminate duplicates Z: 16 30.155 2.186 0.804 0.791 0.933 0.533 CA 1.640 16 residues pruned to eliminate duplicates Z: 73 44.163 2.137 0.809 0.550 0.931 0.556 CB 1.377 67 residues pruned to eliminate duplicates Z: 15 32.603 2.286 0.773 0.814 1.000 0.714 CA 1.636 15 residues pruned to eliminate duplicates Z: 40 27.213 2.153 0.849 0.460 0.821 0.487 CB 1.390 40 residues pruned to eliminate duplicates Z: 43 35.902 2.164 1.031 0.486 0.881 0.548 CB 1.452 42 residues pruned to eliminate duplicates Z: 15 35.375 2.278 0.906 0.836 1.000 0.714 CB 1.630 15 residues pruned to eliminate duplicates Z: 32 24.968 2.174 0.871 0.475 0.774 0.419 CB 1.460 32 residues pruned to eliminate duplicates Z: 24 28.751 2.229 0.901 0.604 0.913 0.652 CB 1.404 24 residues pruned to eliminate duplicates Z: 39 34.620 2.163 1.024 0.514 0.895 0.474 CB 1.414 39 residues pruned to eliminate duplicates Z: 65 47.288 2.145 0.844 0.592 0.969 0.641 CB 1.412 65 residues pruned to eliminate duplicates Z: 16 34.214 2.179 0.985 0.788 1.000 0.600 CB 1.586 16 residues pruned to eliminate duplicates Z: 78 41.491 2.069 0.811 0.536 0.896 0.558 CB 1.359 76 residues pruned to eliminate duplicates Z: 17 36.374 2.239 1.041 0.750 1.000 0.750 CB 1.592 17 residues pruned to eliminate duplicates Z: 68 47.058 2.139 0.925 0.585 0.940 0.627 CB 1.369 68 residues pruned to eliminate duplicates Z: 41 40.024 2.190 0.938 0.505 0.975 0.475 CB 1.522 41 residues pruned to eliminate duplicates Z: 32 37.167 2.246 0.907 0.518 0.968 0.484 CB 1.582 32 residues pruned to eliminate duplicates Z: 43 33.187 2.162 1.006 0.469 0.881 0.500 CB 1.384 42 residues pruned to eliminate duplicates Z: 7 9.546 1.929 1.123 0.441 0.667 0.500 CA 1.517 7 residues pruned to eliminate duplicates Z: 45 37.806 2.157 0.931 0.505 0.932 0.568 CB 1.461 45 residues pruned to eliminate duplicates Z: 47 37.135 2.165 0.932 0.517 0.891 0.543 CB 1.443 47 residues pruned to eliminate duplicates Z: 7 5.255 1.815 0.465 0.360 0.667 0.500 CA 1.407 7 residues pruned to eliminate duplicates Z: 79 59.225 2.307 0.766 0.591 0.962 0.641 CB 1.568 79 residues pruned to eliminate duplicates Z: 28 37.660 2.382 0.663 0.577 0.926 0.704 CB 1.834 28 residues pruned to eliminate duplicates Z: 30 40.930 2.382 0.722 0.582 0.966 0.724 CA 1.774 30 residues pruned to eliminate duplicates Z: 63 49.950 2.285 0.728 0.614 0.952 0.645 CB 1.516 63 residues pruned to eliminate duplicates Z: 91 56.250 2.328 0.624 0.612 0.911 0.656 CB 1.548 91 residues pruned to eliminate duplicates Z: 54 50.580 2.433 0.762 0.520 0.887 0.528 CB 1.791 54 residues pruned to eliminate duplicates Z: 86 60.978 2.350 0.724 0.590 0.941 0.612 CB 1.592 86 residues pruned to eliminate duplicates Z: 93 57.049 2.290 0.654 0.602 0.935 0.652 CB 1.524 93 residues pruned to eliminate duplicates Z: 31 42.259 2.367 0.717 0.611 0.967 0.633 CB 1.767 31 residues pruned to eliminate duplicates Z: 22 45.379 2.340 0.999 0.796 1.000 0.762 CB 1.634 22 residues pruned to eliminate duplicates Z: 81 60.490 2.357 0.741 0.594 0.938 0.663 CB 1.606 81 residues pruned to eliminate duplicates Z: 30 44.660 2.414 0.839 0.615 0.931 0.517 CB 1.799 30 residues pruned to eliminate duplicates Z: 41 37.325 2.283 0.713 0.637 0.900 0.625 CB 1.475 41 residues pruned to eliminate duplicates Z: 23 51.253 2.504 0.913 0.792 0.955 0.773 CB 1.850 23 residues pruned to eliminate duplicates Z: 60 48.274 2.350 0.644 0.600 0.932 0.644 CB 1.588 60 residues pruned to eliminate duplicates Z: 58 48.807 2.359 0.611 0.603 0.965 0.632 CB 1.597 58 residues pruned to eliminate duplicates Z: 10 48.064 2.645 1.259 0.898 1.000 0.889 CB 1.918 10 residues pruned to eliminate duplicates Z: 23 46.480 2.498 0.750 0.783 0.955 0.773 CB 1.852 23 residues pruned to eliminate duplicates Z: 53 50.006 2.302 0.827 0.611 0.885 0.615 CB 1.677 53 residues pruned to eliminate duplicates Z: 37 50.600 2.418 1.013 0.634 0.944 0.722 CB 1.618 37 residues pruned to eliminate duplicates Z: 64 46.725 2.264 0.708 0.596 0.905 0.746 CB 1.535 64 residues pruned to eliminate duplicates Z: 79 62.335 2.376 0.678 0.631 0.949 0.628 CB 1.649 79 residues pruned to eliminate duplicates Z: 10 48.655 2.715 1.083 0.899 1.000 0.889 CA 2.050 10 residues pruned to eliminate duplicates Z: 112 62.713 2.285 0.601 0.622 0.928 0.622 CB 1.563 112 residues pruned to eliminate duplicates Z: 105 59.262 2.309 0.660 0.597 0.913 0.635 CB 1.513 105 residues pruned to eliminate duplicates Z: 67 53.098 2.373 0.702 0.606 0.924 0.636 CB 1.584 67 residues pruned to eliminate duplicates Z: 31 38.913 2.400 0.750 0.631 0.933 0.633 CB 1.603 31 residues pruned to eliminate duplicates Z: 32 35.092 2.337 0.769 0.613 0.903 0.645 CB 1.518 32 residues pruned to eliminate duplicates Z: 29 34.550 2.381 0.716 0.614 0.929 0.643 CB 1.546 29 residues pruned to eliminate duplicates Z: 110 62.781 2.322 0.660 0.545 0.917 0.541 CB 1.627 110 residues pruned to eliminate duplicates Z: 142 74.837 2.293 0.719 0.595 0.936 0.582 CB 1.559 145 residues pruned to eliminate duplicates Z: 24 40.179 2.393 0.739 0.828 0.957 0.826 CB 1.586 24 residues pruned to eliminate duplicates Z: 36 47.738 2.431 0.725 0.689 0.971 0.657 CB 1.667 36 residues pruned to eliminate duplicates Z: 68 49.899 2.312 0.720 0.576 0.925 0.597 CB 1.540 68 residues pruned to eliminate duplicates Z: 51 50.631 2.352 0.614 0.671 0.940 0.600 CB 1.714 51 residues pruned to eliminate duplicates Z: 60 51.047 2.315 0.652 0.645 0.932 0.644 CB 1.627 60 residues pruned to eliminate duplicates Z: 61 54.945 2.386 0.739 0.630 0.950 0.717 CB 1.593 61 residues pruned to eliminate duplicates Z: 82 61.977 2.353 0.679 0.629 0.951 0.704 CB 1.625 82 residues pruned to eliminate duplicates Z: 57 52.711 2.368 0.678 0.613 0.982 0.679 CB 1.621 57 residues pruned to eliminate duplicates Z: 57 50.877 2.385 0.777 0.626 0.929 0.661 CB 1.534 57 residues pruned to eliminate duplicates Z: 75 62.819 2.354 0.854 0.617 0.919 0.676 CB 1.631 75 residues pruned to eliminate duplicates Z: 67 51.774 2.335 0.710 0.582 0.939 0.621 CB 1.570 67 residues pruned to eliminate duplicates Z: 82 55.240 2.332 0.653 0.590 0.926 0.556 CB 1.577 82 residues pruned to eliminate duplicates Z: 98 55.659 2.257 0.775 0.561 0.897 0.567 CB 1.482 175 residues pruned to eliminate duplicates Z: 94 62.322 2.348 0.693 0.579 0.946 0.667 CB 1.592 94 residues pruned to eliminate duplicates Z: 73 61.270 2.397 0.709 0.677 0.917 0.722 CB 1.634 73 residues pruned to eliminate duplicates Z: 70 49.644 2.316 0.779 0.575 0.899 0.623 CB 1.502 70 residues pruned to eliminate duplicates Z: 79 55.709 2.352 0.745 0.605 0.885 0.641 CB 1.572 79 residues pruned to eliminate duplicates Z: 94 62.814 2.312 0.733 0.567 0.946 0.645 CB 1.610 94 residues pruned to eliminate duplicates Z: 68 54.191 2.352 0.807 0.589 0.910 0.627 CB 1.571 68 residues pruned to eliminate duplicates Z: 20 20.193 2.184 0.793 0.414 0.895 0.474 CB 1.446 20 residues pruned to eliminate duplicates Z: 69 52.656 2.309 0.762 0.584 0.941 0.662 CB 1.538 69 residues pruned to eliminate duplicates Z: 69 52.565 2.312 0.752 0.570 0.926 0.588 CB 1.589 69 residues pruned to eliminate duplicates Z: 69 49.568 2.283 0.708 0.577 0.926 0.647 CB 1.544 69 residues pruned to eliminate duplicates Z: 38 37.781 2.264 0.740 0.584 0.892 0.649 CB 1.631 38 residues pruned to eliminate duplicates Z: 59 46.454 2.329 0.757 0.605 0.897 0.707 CB 1.504 59 residues pruned to eliminate duplicates Z: 80 63.288 2.362 0.748 0.627 0.949 0.671 CB 1.611 80 residues pruned to eliminate duplicates Z: 93 57.890 2.329 0.670 0.607 0.935 0.663 CB 1.500 93 residues pruned to eliminate duplicates Z: 82 53.756 2.251 0.757 0.618 0.914 0.642 CB 1.478 82 residues pruned to eliminate duplicates Z: 84 55.107 2.333 0.725 0.569 0.880 0.578 CB 1.599 84 residues pruned to eliminate duplicates Z: 33 32.027 2.238 0.781 0.575 0.875 0.594 CB 1.509 33 residues pruned to eliminate duplicates Z: 81 60.720 2.365 0.772 0.611 0.925 0.663 CB 1.576 81 residues pruned to eliminate duplicates Z: 72 65.081 2.394 0.870 0.631 0.958 0.648 CB 1.593 72 residues pruned to eliminate duplicates Z: 68 54.687 2.335 0.873 0.577 0.925 0.522 CB 1.534 68 residues pruned to eliminate duplicates Z: 80 63.842 2.352 0.778 0.618 0.962 0.595 CB 1.597 80 residues pruned to eliminate duplicates Z: 22 27.388 2.211 0.889 0.577 0.857 0.429 CB 1.550 22 residues pruned to eliminate duplicates Z: 52 46.348 2.286 0.853 0.595 0.941 0.588 CB 1.486 52 residues pruned to eliminate duplicates Z: 67 49.434 2.278 0.819 0.542 0.894 0.561 CB 1.576 67 residues pruned to eliminate duplicates Z: 99 63.630 2.213 0.875 0.617 0.898 0.622 CB 1.544 99 residues pruned to eliminate duplicates Z: 19 15.258 2.114 0.778 0.401 0.778 0.500 CB 1.366 19 residues pruned to eliminate duplicates Z: 77 53.230 2.254 0.817 0.585 0.895 0.487 CB 1.536 77 residues pruned to eliminate duplicates Z: 100 67.659 2.289 0.848 0.613 0.929 0.586 CB 1.555 100 residues pruned to eliminate duplicates Z: 29 35.020 2.194 0.929 0.631 0.893 0.643 CB 1.549 29 residues pruned to eliminate duplicates Z: 38 36.402 2.067 0.851 0.636 0.919 0.595 CB 1.499 38 residues pruned to eliminate duplicates Z: 28 36.033 2.178 0.736 0.722 0.963 0.778 CB 1.559 28 residues pruned to eliminate duplicates Z: 18 20.110 2.167 0.789 0.462 0.882 0.529 CB 1.482 18 residues pruned to eliminate duplicates Z: 34 31.786 2.129 0.674 0.649 0.909 0.727 CB 1.486 34 residues pruned to eliminate duplicates Z: 17 19.213 2.031 1.010 0.447 0.938 0.688 CB 1.325 17 residues pruned to eliminate duplicates Z: 20 15.384 2.078 0.793 0.369 0.789 0.474 CB 1.381 20 residues pruned to eliminate duplicates Z: 39 30.134 1.981 0.758 0.552 0.895 0.605 CB 1.492 39 residues pruned to eliminate duplicates Z: 32 35.743 2.146 0.810 0.629 0.935 0.645 CB 1.565 32 residues pruned to eliminate duplicates Z: 45 42.863 2.142 0.877 0.659 0.932 0.636 CB 1.489 45 residues pruned to eliminate duplicates Z: 23 20.567 1.981 0.988 0.405 0.864 0.500 CB 1.425 23 residues pruned to eliminate duplicates Z: 32 38.746 2.148 0.866 0.704 0.935 0.710 CB 1.542 32 residues pruned to eliminate duplicates Z: 34 36.161 2.064 0.907 0.659 0.879 0.727 CB 1.570 34 residues pruned to eliminate duplicates Z: 60 46.494 2.186 0.764 0.607 0.898 0.542 CB 1.578 60 residues pruned to eliminate duplicates Z: 17 28.852 1.970 0.785 0.918 0.938 0.875 CB 1.544 17 residues pruned to eliminate duplicates Z: 33 34.586 2.136 0.919 0.625 0.875 0.625 CB 1.515 33 residues pruned to eliminate duplicates Z: 81 62.855 2.286 0.874 0.629 0.913 0.562 CB 1.592 81 residues pruned to eliminate duplicates Z: 31 36.841 2.095 1.002 0.618 0.900 0.700 CB 1.594 31 residues pruned to eliminate duplicates Z: 15 32.422 2.085 1.039 0.877 0.929 0.714 CB 1.594 15 residues pruned to eliminate duplicates Z: 36 36.541 2.116 0.914 0.637 0.886 0.629 CB 1.514 36 residues pruned to eliminate duplicates Z: 40 32.652 2.041 0.889 0.588 0.872 0.538 CB 1.430 40 residues pruned to eliminate duplicates Z: 53 50.644 2.245 0.969 0.619 0.904 0.500 CB 1.571 53 residues pruned to eliminate duplicates Z: 33 38.575 2.096 1.028 0.700 0.875 0.500 CB 1.528 33 residues pruned to eliminate duplicates Z: 33 35.822 2.120 1.054 0.603 0.875 0.500 CB 1.506 33 residues pruned to eliminate duplicates Z: 15 29.679 2.103 0.838 0.894 0.929 0.714 CB 1.585 15 residues pruned to eliminate duplicates Z: 44 30.604 1.961 0.841 0.549 0.860 0.465 CB 1.433 44 residues pruned to eliminate duplicates Z: 8 3.143 1.539 0.069 0.237 0.857 0.286 CB 1.144 Z: 11 3.123 1.735 0.187 0.182 0.600 0.500 CB 1.172 8 residues pruned to eliminate duplicates Z: 6 6.846 1.730 0.836 0.468 0.800 0.600 CA 1.245 11 residues pruned to eliminate duplicates Z: 6 5.392 1.518 0.690 0.364 1.000 0.600 N 1.087 4 residues pruned to eliminate duplicates Z: 22 31.413 2.372 0.708 0.583 1.000 0.571 CB 1.562 30 residues pruned to eliminate duplicates Z: 30 28.899 2.316 0.740 0.475 0.897 0.552 CB 1.523 30 residues pruned to eliminate duplicates Z: 7 7.786 1.850 0.949 0.299 1.000 0.000 CA 1.103 7 residues pruned to eliminate duplicates Z: 36 26.371 2.202 0.693 0.445 0.886 0.429 CB 1.429 36 residues pruned to eliminate duplicates Z: 19 33.392 2.514 0.664 0.574 1.000 0.500 CB 1.752 19 residues pruned to eliminate duplicates Z: 20 29.046 2.452 0.791 0.529 0.895 0.684 CB 1.648 20 residues pruned to eliminate duplicates Z: 29 28.120 2.344 0.780 0.462 0.893 0.607 CB 1.484 29 residues pruned to eliminate duplicates Z: 34 29.254 2.242 0.632 0.522 0.879 0.576 CB 1.550 34 residues pruned to eliminate duplicates Z: 30 34.299 2.348 0.836 0.538 0.931 0.483 CB 1.529 30 residues pruned to eliminate duplicates Z: 12 23.987 2.504 0.543 0.700 0.909 0.818 CB 1.717 12 residues pruned to eliminate duplicates Z: 22 33.012 2.458 0.745 0.553 0.905 0.476 CB 1.763 22 residues pruned to eliminate duplicates Z: 38 34.537 2.159 0.797 0.525 0.892 0.622 CB 1.600 38 residues pruned to eliminate duplicates Z: 13 23.226 2.415 0.689 0.760 0.917 0.667 CB 1.423 13 residues pruned to eliminate duplicates Z: 39 29.939 2.227 0.676 0.507 0.868 0.579 CB 1.488 39 residues pruned to eliminate duplicates Z: 27 28.401 2.392 0.708 0.508 0.885 0.615 CB 1.528 27 residues pruned to eliminate duplicates Z: 20 35.199 2.469 0.816 0.600 0.947 0.579 CB 1.728 20 residues pruned to eliminate duplicates Z: 19 28.041 2.408 0.901 0.526 0.833 0.556 CB 1.689 19 residues pruned to eliminate duplicates Z: 35 38.094 2.301 0.957 0.509 0.882 0.500 CB 1.629 38 residues pruned to eliminate duplicates 616 residues left after pruning, divided into chains as follows: A: 17 B: 8 C: 45 D: 32 E: 13 F: 280 G: 17 H: 17 I: 187 CC for partial structure against native data = 36.10 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.494, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.776 for dens.mod. cycle 2 = 0.300, Contrast = 0.676, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.687, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.701, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.707, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.714, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.717, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.721, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.722, Connect. = 0.817 for dens.mod. cycle 10 TimeTaking 322.43