++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:57:15 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: ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.ins Phases from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi Native data from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.hkl Listing output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.lst Phases output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phs Poly-Ala trace output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-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: I 4 2 2 Allowed origin shift code: 10 56831 Reflections read from file ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi 56831 Reflections read from file ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.hkl 56831 Unique data, highest resolution = 1.740 Angstroms Anisotropic scaling: intensities multiplied by 0.000038h^2 +0.000038k^2 -0.000037l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.940 and 0 in range 1.940 > d > 1.740 added Density sharpening factor set to 1.14 Fourier grid = 256 x 256 x 66 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.656 = 0.278, Contrast = 0.156, Connect. = 0.587 for dens.mod. cycle 1 = 0.299, Contrast = 0.381, Connect. = 0.649 for dens.mod. cycle 2 = 0.300, Contrast = 0.615, Connect. = 0.749 for dens.mod. cycle 3 = 0.300, Contrast = 0.707, Connect. = 0.778 for dens.mod. cycle 4 = 0.300, Contrast = 0.751, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.775, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 0.790, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.799, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.804, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.807, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2003 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 501 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 36.109 2.428 0.891 0.873 0.900 0.700 CB 2.013 B: 8 23.221 2.447 0.433 0.856 1.000 0.857 CB 1.846 C: 10 21.801 2.020 0.723 0.851 1.000 0.889 CB 1.546 9 residues pruned to eliminate duplicates D: 10 17.370 1.942 0.471 0.854 1.000 0.667 CA 1.497 10 residues pruned to eliminate duplicates E: 11 33.532 2.379 0.958 0.889 1.000 0.700 CB 1.638 11 residues pruned to eliminate duplicates F: 16 26.663 2.070 0.927 0.796 0.867 0.800 CB 1.537 12 residues pruned to eliminate duplicates G: 15 34.895 2.055 1.232 0.892 0.929 0.714 CA 1.573 H: 50 54.322 2.383 1.154 0.492 0.939 0.694 CB 1.623 24 residues pruned to eliminate duplicates I: 18 22.111 1.987 0.822 0.819 0.882 0.588 CB 1.273 J: 14 32.918 2.190 0.763 0.892 1.000 0.923 CA 1.699 K: 13 39.517 2.281 1.217 0.907 1.000 0.750 CB 1.603 L: 27 47.073 2.345 1.255 0.680 0.923 0.577 CB 1.603 M: 14 27.465 2.159 0.712 0.852 0.923 0.769 CB 1.652 N: 14 35.151 2.188 0.908 0.861 1.000 0.692 CA 1.715 15 residues pruned to eliminate duplicates O: 10 25.631 2.186 0.577 0.885 1.000 0.889 CB 1.789 P: 15 27.200 2.064 0.881 0.801 1.000 0.786 CB 1.439 15 residues pruned to eliminate duplicates Q: 16 28.424 2.106 1.067 0.902 0.933 0.667 CB 1.289 16 residues pruned to eliminate duplicates R: 12 31.188 2.258 1.022 0.878 1.000 0.909 CB 1.495 12 residues pruned to eliminate duplicates S: 14 39.610 2.138 1.108 0.928 1.000 0.692 CB 1.708 15 residues pruned to eliminate duplicates T: 15 29.991 2.090 1.074 0.850 0.857 0.786 CA 1.598 15 residues pruned to eliminate duplicates U: 13 49.588 2.227 1.403 0.923 1.000 0.667 CA 1.881 14 residues pruned to eliminate duplicates V: 15 36.235 2.057 1.096 0.870 1.000 0.714 CB 1.640 15 residues pruned to eliminate duplicates W: 14 34.708 2.029 0.945 0.886 1.000 0.769 C 1.760 14 residues pruned to eliminate duplicates X: 15 33.489 2.230 0.971 0.927 1.000 0.786 CB 1.426 16 residues pruned to eliminate duplicates Y: 54 44.068 2.378 1.028 0.430 0.868 0.547 CB 1.555 58 residues pruned to eliminate duplicates Z: 15 19.305 2.014 0.466 0.749 0.929 0.714 CB 1.507 15 residues pruned to eliminate duplicates Z: 16 24.064 1.958 0.546 0.849 0.933 0.600 CB 1.631 10 residues pruned to eliminate duplicates Z: 31 34.708 2.218 1.177 0.624 0.833 0.533 CB 1.401 31 residues pruned to eliminate duplicates Z: 8 10.314 1.829 1.368 0.494 0.714 0.429 CA 1.268 Z: 6 7.969 1.963 0.499 0.836 0.800 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 13 34.653 2.142 1.069 0.868 1.000 0.667 CB 1.650 13 residues pruned to eliminate duplicates Z: 51 28.032 2.036 0.639 0.574 0.940 0.620 CB 1.177 20 residues pruned to eliminate duplicates Z: 14 35.119 2.114 1.110 0.887 1.000 0.923 CB 1.575 14 residues pruned to eliminate duplicates Z: 18 21.261 2.230 0.748 0.591 0.941 0.588 CB 1.288 18 residues pruned to eliminate duplicates Z: 12 41.715 2.479 1.127 0.911 0.909 0.909 CB 1.859 12 residues pruned to eliminate duplicates Z: 18 24.828 2.065 0.616 0.803 1.000 0.824 CB 1.386 17 residues pruned to eliminate duplicates Z: 13 24.551 1.870 0.894 0.877 0.917 0.750 CB 1.585 12 residues pruned to eliminate duplicates Z: 17 19.793 2.003 0.604 0.765 0.812 0.625 CB 1.499 17 residues pruned to eliminate duplicates Z: 58 39.984 2.042 0.773 0.609 0.930 0.596 CB 1.418 18 residues pruned to eliminate duplicates Z: 13 27.344 2.233 0.890 0.857 0.833 0.750 CB 1.654 13 residues pruned to eliminate duplicates Z: 14 20.602 2.042 0.746 0.788 0.846 0.692 CB 1.470 14 residues pruned to eliminate duplicates Z: 13 31.375 2.336 0.877 0.868 0.917 0.750 CB 1.648 13 residues pruned to eliminate duplicates Z: 45 39.969 2.128 1.031 0.479 0.909 0.500 CB 1.567 21 residues pruned to eliminate duplicates Z: 28 42.620 2.285 1.150 0.633 1.000 0.704 CB 1.473 28 residues pruned to eliminate duplicates Z: 13 38.472 2.363 0.998 0.932 1.000 0.917 CB 1.643 13 residues pruned to eliminate duplicates Z: 8 20.329 2.423 0.483 0.862 0.857 0.714 CB 1.832 8 residues pruned to eliminate duplicates Z: 14 28.687 2.095 0.951 0.901 0.923 0.769 CA 1.505 14 residues pruned to eliminate duplicates Z: 16 29.653 2.111 0.802 0.872 1.000 0.600 CB 1.467 Z: 17 30.354 2.152 0.785 0.836 0.938 0.750 CB 1.578 17 residues pruned to eliminate duplicates Z: 14 35.227 2.150 0.846 0.914 1.000 0.769 CB 1.741 14 residues pruned to eliminate duplicates Z: 14 28.699 2.240 0.742 0.905 1.000 0.846 CB 1.452 14 residues pruned to eliminate duplicates Z: 15 31.342 2.049 0.911 0.854 1.000 0.857 CA 1.580 14 residues pruned to eliminate duplicates Z: 7 10.962 1.948 0.632 0.600 0.833 0.500 CB 1.536 Z: 15 23.500 2.142 0.355 0.880 1.000 0.643 CB 1.568 13 residues pruned to eliminate duplicates Z: 26 37.390 2.339 0.947 0.592 0.960 0.640 CB 1.567 14 residues pruned to eliminate duplicates Z: 13 33.274 2.233 0.782 0.884 1.000 0.917 CB 1.744 13 residues pruned to eliminate duplicates Z: 16 25.315 2.091 0.835 0.822 0.867 0.733 CA 1.486 16 residues pruned to eliminate duplicates Z: 17 25.520 2.016 0.587 0.812 1.000 0.812 CB 1.520 17 residues pruned to eliminate duplicates Z: 13 30.324 2.236 0.718 0.876 1.000 0.833 CB 1.656 13 residues pruned to eliminate duplicates Z: 16 21.394 2.088 0.651 0.781 0.933 0.800 CB 1.340 16 residues pruned to eliminate duplicates Z: 61 37.791 2.042 0.732 0.604 0.883 0.650 CB 1.415 61 residues pruned to eliminate duplicates Z: 29 27.556 1.918 0.779 0.683 0.893 0.750 CB 1.445 29 residues pruned to eliminate duplicates Z: 12 36.571 2.261 1.234 0.923 0.909 0.909 CB 1.688 14 residues pruned to eliminate duplicates Z: 9 13.499 2.209 0.293 0.818 0.875 0.750 CB 1.449 9 residues pruned to eliminate duplicates Z: 12 26.395 2.237 0.892 0.913 0.818 0.364 CB 1.626 12 residues pruned to eliminate duplicates Z: 19 21.998 2.207 0.961 0.435 0.944 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 61 31.289 2.028 0.765 0.435 0.867 0.633 CB 1.392 39 residues pruned to eliminate duplicates Z: 13 38.674 2.324 0.871 0.925 1.000 1.000 CB 1.801 13 residues pruned to eliminate duplicates Z: 11 15.203 1.975 0.472 0.544 1.000 0.500 CA 1.584 12 residues pruned to eliminate duplicates Z: 35 37.023 2.426 0.946 0.451 0.853 0.676 CB 1.657 35 residues pruned to eliminate duplicates Z: 15 28.923 2.221 0.795 0.926 1.000 0.857 CB 1.360 15 residues pruned to eliminate duplicates Z: 49 30.282 2.024 0.766 0.551 0.958 0.500 CB 1.214 49 residues pruned to eliminate duplicates Z: 14 34.149 2.122 0.996 0.915 1.000 0.692 CB 1.581 14 residues pruned to eliminate duplicates Z: 28 41.970 2.344 1.098 0.548 0.963 0.593 CB 1.628 28 residues pruned to eliminate duplicates Z: 15 27.584 2.225 0.689 0.936 1.000 0.929 CB 1.366 15 residues pruned to eliminate duplicates Z: 29 42.183 2.236 1.064 0.512 0.964 0.679 CB 1.769 19 residues pruned to eliminate duplicates Z: 6 11.915 1.978 0.313 0.707 1.000 1.000 CB 1.700 6 residues pruned to eliminate duplicates Z: 20 24.372 2.150 0.766 0.807 0.895 0.632 CB 1.259 20 residues pruned to eliminate duplicates Z: 30 47.126 2.303 1.273 0.667 0.966 0.552 CB 1.483 27 residues pruned to eliminate duplicates Z: 31 43.127 2.261 1.083 0.633 0.967 0.633 CB 1.527 31 residues pruned to eliminate duplicates Z: 21 23.725 2.136 0.613 0.604 0.900 0.750 CB 1.550 21 residues pruned to eliminate duplicates Z: 7 6.027 1.696 0.553 0.661 0.833 0.667 CA 0.966 7 residues pruned to eliminate duplicates Z: 19 31.258 2.260 1.218 0.492 1.000 0.778 CB 1.481 19 residues pruned to eliminate duplicates Z: 9 21.738 2.222 0.698 0.838 0.875 0.750 CB 1.740 9 residues pruned to eliminate duplicates Z: 17 26.092 2.089 0.536 0.857 1.000 0.812 CB 1.499 17 residues pruned to eliminate duplicates Z: 12 29.995 2.314 0.676 0.902 1.000 0.727 CB 1.662 12 residues pruned to eliminate duplicates Z: 11 36.224 2.428 1.128 0.875 0.900 0.800 CB 1.792 11 residues pruned to eliminate duplicates Z: 14 24.914 2.083 0.674 0.905 0.923 0.692 CB 1.528 12 residues pruned to eliminate duplicates Z: 14 32.176 2.147 1.044 0.893 0.923 0.846 CB 1.582 14 residues pruned to eliminate duplicates Z: 12 37.566 2.277 0.999 0.930 1.000 0.909 CB 1.740 12 residues pruned to eliminate duplicates Z: 73 70.147 2.413 1.239 0.507 0.903 0.639 CB 1.684 73 residues pruned to eliminate duplicates Z: 33 33.272 2.241 0.914 0.528 0.938 0.625 CB 1.423 36 residues pruned to eliminate duplicates Z: 13 22.360 2.171 0.428 0.866 0.917 0.750 CB 1.663 13 residues pruned to eliminate duplicates Z: 30 17.196 1.794 0.677 0.545 0.828 0.586 CB 1.227 Z: 15 22.245 2.117 0.790 0.931 0.929 0.714 CB 1.181 15 residues pruned to eliminate duplicates Z: 18 23.220 2.099 0.462 0.824 0.941 0.824 CB 1.473 18 residues pruned to eliminate duplicates Z: 13 28.746 2.182 0.716 0.871 0.917 0.750 CB 1.764 13 residues pruned to eliminate duplicates Z: 17 25.430 1.980 0.671 0.827 0.938 0.688 CB 1.544 17 residues pruned to eliminate duplicates Z: 11 16.968 1.929 0.560 0.821 0.900 0.500 CB 1.501 11 residues pruned to eliminate duplicates Z: 23 29.307 2.209 0.935 0.579 0.864 0.591 CB 1.569 23 residues pruned to eliminate duplicates Z: 13 27.171 2.267 0.825 0.937 1.000 0.583 CB 1.319 13 residues pruned to eliminate duplicates Z: 42 40.437 2.205 0.882 0.490 0.976 0.561 CB 1.576 42 residues pruned to eliminate duplicates Z: 17 23.476 1.986 0.730 0.733 0.938 0.562 CB 1.478 17 residues pruned to eliminate duplicates Z: 31 40.656 2.251 1.110 0.639 0.900 0.667 CB 1.525 31 residues pruned to eliminate duplicates Z: 38 30.640 2.186 0.897 0.496 0.811 0.541 CB 1.505 31 residues pruned to eliminate duplicates Z: 72 49.088 2.222 0.904 0.506 0.930 0.690 CB 1.473 81 residues pruned to eliminate duplicates Z: 76 63.129 2.386 1.219 0.469 0.880 0.587 CB 1.615 76 residues pruned to eliminate duplicates Z: 49 48.902 2.427 1.054 0.481 0.875 0.625 CB 1.650 49 residues pruned to eliminate duplicates Z: 29 45.253 2.327 1.087 0.653 0.964 0.536 CB 1.585 29 residues pruned to eliminate duplicates Z: 6 8.676 1.568 1.016 0.808 0.800 0.600 N 1.173 Z: 10 14.775 1.975 0.392 0.849 0.889 0.778 CB 1.494 10 residues pruned to eliminate duplicates Z: 44 42.967 2.172 1.070 0.505 0.953 0.651 CB 1.521 44 residues pruned to eliminate duplicates Z: 19 19.668 1.928 0.723 0.745 0.944 0.778 CB 1.187 19 residues pruned to eliminate duplicates Z: 16 20.778 2.066 0.766 0.725 0.867 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 32 25.441 1.837 0.677 0.684 0.968 0.774 CB 1.295 32 residues pruned to eliminate duplicates Z: 42 33.137 2.071 0.734 0.496 0.951 0.610 CB 1.521 29 residues pruned to eliminate duplicates Z: 27 36.096 2.274 1.101 0.643 0.885 0.500 CB 1.465 27 residues pruned to eliminate duplicates Z: 75 66.000 2.415 1.149 0.498 0.878 0.649 CB 1.687 75 residues pruned to eliminate duplicates Z: 13 31.831 2.079 0.970 0.886 1.000 0.833 CB 1.618 13 residues pruned to eliminate duplicates Z: 11 17.689 1.908 0.808 0.855 0.800 0.600 CA 1.497 11 residues pruned to eliminate duplicates Z: 46 32.586 2.022 0.816 0.603 0.956 0.667 CB 1.255 43 residues pruned to eliminate duplicates Z: 57 35.425 2.028 0.777 0.608 0.839 0.661 CB 1.412 57 residues pruned to eliminate duplicates Z: 15 19.625 2.150 1.022 0.465 0.786 0.643 CB 1.592 15 residues pruned to eliminate duplicates Z: 8 5.510 2.040 0.393 0.513 0.714 0.571 CB 1.013 8 residues pruned to eliminate duplicates Z: 12 31.074 2.214 0.767 0.920 1.000 1.000 CA 1.686 12 residues pruned to eliminate duplicates Z: 13 31.607 2.215 1.106 0.905 0.917 0.667 CB 1.519 13 residues pruned to eliminate duplicates Z: 16 25.665 2.122 0.550 0.853 0.933 0.800 CB 1.596 16 residues pruned to eliminate duplicates Z: 12 15.187 2.052 1.341 0.380 0.727 0.455 CB 1.490 12 residues pruned to eliminate duplicates Z: 18 28.561 2.164 1.552 0.435 0.882 0.529 CB 1.521 18 residues pruned to eliminate duplicates Z: 87 43.798 2.089 0.825 0.421 0.919 0.570 CB 1.464 94 residues pruned to eliminate duplicates Z: 9 22.424 2.010 1.012 0.910 1.000 0.875 CA 1.389 9 residues pruned to eliminate duplicates Z: 8 5.587 1.864 0.662 0.220 0.714 0.571 CB 1.326 8 residues pruned to eliminate duplicates Z: 14 29.553 2.125 1.088 0.867 0.846 0.538 CB 1.596 14 residues pruned to eliminate duplicates Z: 17 19.596 1.974 0.702 0.773 0.812 0.500 CB 1.409 17 residues pruned to eliminate duplicates Z: 68 58.915 2.394 1.137 0.512 0.896 0.657 CB 1.553 70 residues pruned to eliminate duplicates Z: 15 19.012 2.035 0.392 0.835 0.857 0.500 CB 1.567 15 residues pruned to eliminate duplicates Z: 25 36.238 2.389 0.920 0.632 0.917 0.750 CB 1.555 25 residues pruned to eliminate duplicates Z: 26 33.427 2.318 0.978 0.649 0.880 0.640 CB 1.442 26 residues pruned to eliminate duplicates Z: 17 26.818 1.892 0.828 0.851 0.875 0.625 CB 1.640 17 residues pruned to eliminate duplicates Z: 26 12.554 1.574 0.497 0.564 0.920 0.640 CB 1.089 21 residues pruned to eliminate duplicates Z: 15 23.243 2.052 0.884 0.862 0.857 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 7 6.670 1.857 0.671 0.762 1.000 0.667 CB 0.696 7 residues pruned to eliminate duplicates Z: 50 54.084 2.414 1.125 0.482 0.939 0.612 CB 1.634 50 residues pruned to eliminate duplicates Z: 34 29.293 2.091 1.091 0.482 0.909 0.636 CB 1.306 29 residues pruned to eliminate duplicates Z: 17 17.872 2.058 0.351 0.811 1.000 0.812 CB 1.226 Z: 14 13.366 2.063 0.771 0.531 0.923 0.538 CB 1.066 14 residues pruned to eliminate duplicates Z: 29 30.713 2.140 1.052 0.581 0.893 0.536 CB 1.369 29 residues pruned to eliminate duplicates Z: 6 8.728 1.993 0.121 0.892 1.000 1.000 CB 1.256 6 residues pruned to eliminate duplicates Z: 15 9.254 2.033 0.796 0.188 0.643 0.357 CB 1.533 15 residues pruned to eliminate duplicates Z: 6 3.926 1.615 0.162 0.664 0.800 0.400 N 1.004 Z: 34 48.684 2.421 1.167 0.464 0.909 0.667 CB 1.843 34 residues pruned to eliminate duplicates Z: 8 13.729 1.862 0.922 0.679 0.857 0.429 CA 1.436 8 residues pruned to eliminate duplicates Z: 15 41.118 2.075 1.337 0.916 0.929 0.714 CB 1.723 15 residues pruned to eliminate duplicates Z: 20 23.068 2.127 0.924 0.781 0.895 0.421 CB 1.128 17 residues pruned to eliminate duplicates Z: 7 7.589 1.834 0.329 0.800 0.833 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 35 23.740 2.059 0.628 0.493 0.882 0.441 CB 1.386 35 residues pruned to eliminate duplicates Z: 18 28.874 1.957 0.862 0.807 0.941 0.647 CB 1.562 18 residues pruned to eliminate duplicates Z: 19 28.078 2.153 0.772 0.694 0.889 0.556 CB 1.635 19 residues pruned to eliminate duplicates Z: 13 35.058 2.270 0.813 0.917 1.000 0.833 CA 1.736 13 residues pruned to eliminate duplicates Z: 15 22.881 2.119 1.021 0.925 0.929 0.714 CB 1.080 15 residues pruned to eliminate duplicates Z: 31 42.505 2.296 1.106 0.645 0.933 0.633 CB 1.502 31 residues pruned to eliminate duplicates Z: 20 23.743 2.005 0.445 0.789 1.000 0.579 CB 1.458 20 residues pruned to eliminate duplicates Z: 19 28.370 2.203 0.924 0.807 0.944 0.556 CB 1.278 20 residues pruned to eliminate duplicates Z: 26 32.764 2.293 0.883 0.645 0.920 0.680 CB 1.441 26 residues pruned to eliminate duplicates Z: 13 19.248 1.926 0.903 0.746 0.917 0.333 CB 1.327 13 residues pruned to eliminate duplicates Z: 10 13.890 1.719 0.607 0.870 1.000 0.889 CB 1.224 10 residues pruned to eliminate duplicates Z: 15 18.690 2.058 0.469 0.933 1.000 1.000 CB 1.153 15 residues pruned to eliminate duplicates Z: 17 17.300 1.964 0.621 0.809 0.812 0.750 CB 1.277 17 residues pruned to eliminate duplicates Z: 15 18.586 2.150 0.447 0.942 1.000 0.857 CB 1.107 15 residues pruned to eliminate duplicates Z: 44 41.506 2.136 1.116 0.495 0.953 0.628 CB 1.476 44 residues pruned to eliminate duplicates Z: 128 58.487 2.115 0.966 0.488 0.921 0.591 CB 1.371 123 residues pruned to eliminate duplicates Z: 44 55.766 2.407 1.133 0.531 0.930 0.628 CB 1.727 44 residues pruned to eliminate duplicates Z: 30 43.888 2.306 1.252 0.653 0.931 0.586 CB 1.463 30 residues pruned to eliminate duplicates Z: 10 13.513 1.706 0.483 0.911 1.000 0.889 CB 1.262 10 residues pruned to eliminate duplicates Z: 11 17.035 1.811 0.643 0.864 0.900 0.700 CB 1.475 11 residues pruned to eliminate duplicates Z: 21 19.989 2.121 0.765 0.458 0.950 0.750 CB 1.311 21 residues pruned to eliminate duplicates Z: 23 26.546 2.270 0.965 0.371 0.864 0.500 CA 1.687 23 residues pruned to eliminate duplicates Z: 13 34.137 2.258 1.020 0.923 1.000 0.833 CB 1.518 13 residues pruned to eliminate duplicates Z: 10 5.541 1.791 0.600 0.430 0.889 0.556 CB 0.779 10 residues pruned to eliminate duplicates Z: 13 27.177 2.105 1.005 0.864 1.000 0.833 CB 1.363 13 residues pruned to eliminate duplicates Z: 39 37.190 2.093 0.922 0.495 0.974 0.658 CB 1.548 39 residues pruned to eliminate duplicates Z: 10 14.462 1.733 0.599 0.901 1.000 0.889 CB 1.242 10 residues pruned to eliminate duplicates Z: 9 8.238 1.886 0.336 0.470 0.875 0.500 CB 1.361 9 residues pruned to eliminate duplicates Z: 37 41.969 2.300 1.161 0.516 0.917 0.667 CB 1.512 37 residues pruned to eliminate duplicates Z: 10 15.655 1.725 0.716 0.896 1.000 0.778 CB 1.262 10 residues pruned to eliminate duplicates Z: 15 25.934 2.013 0.793 0.863 1.000 0.357 CB 1.409 15 residues pruned to eliminate duplicates Z: 10 15.893 1.699 0.874 0.891 1.000 0.667 CB 1.196 10 residues pruned to eliminate duplicates Z: 26 23.267 2.096 0.822 0.369 0.920 0.600 CB 1.525 26 residues pruned to eliminate duplicates Z: 10 16.051 1.745 0.803 0.906 1.000 1.000 CB 1.210 10 residues pruned to eliminate duplicates Z: 13 14.488 1.690 0.568 0.835 0.917 0.583 CB 1.290 13 residues pruned to eliminate duplicates Z: 8 14.033 2.068 0.976 0.589 0.857 0.714 CA 1.391 8 residues pruned to eliminate duplicates Z: 36 36.737 2.189 1.014 0.604 0.971 0.686 CB 1.313 55 residues pruned to eliminate duplicates Z: 18 17.284 1.980 0.641 0.473 0.941 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 58 34.724 1.961 0.776 0.490 0.930 0.632 CB 1.434 70 residues pruned to eliminate duplicates Z: 81 44.742 2.060 0.933 0.433 0.913 0.600 CB 1.476 81 residues pruned to eliminate duplicates Z: 20 23.951 1.948 0.591 0.820 1.000 0.789 CB 1.343 20 residues pruned to eliminate duplicates Z: 13 23.284 2.214 0.516 0.913 0.917 0.833 CB 1.546 13 residues pruned to eliminate duplicates Z: 13 31.814 2.186 0.890 0.893 1.000 0.917 CB 1.596 13 residues pruned to eliminate duplicates Z: 14 33.839 2.264 1.125 0.897 0.923 0.615 CB 1.513 14 residues pruned to eliminate duplicates Z: 18 23.655 2.078 0.618 0.761 0.941 0.529 CB 1.438 18 residues pruned to eliminate duplicates Z: 12 33.213 2.179 1.055 0.879 1.000 0.727 CB 1.623 12 residues pruned to eliminate duplicates Z: 15 32.114 2.218 0.866 0.903 1.000 0.643 CB 1.478 15 residues pruned to eliminate duplicates Z: 15 17.221 2.150 0.330 0.931 1.000 0.929 CB 1.125 Z: 94 61.187 2.355 0.941 0.496 0.882 0.613 CB 1.580 96 residues pruned to eliminate duplicates Z: 46 47.499 2.189 0.890 0.607 0.978 0.556 CB 1.582 83 residues pruned to eliminate duplicates Z: 89 64.983 2.321 0.962 0.467 0.955 0.602 CB 1.649 89 residues pruned to eliminate duplicates Z: 17 19.876 2.065 0.472 0.803 0.875 0.625 CB 1.434 17 residues pruned to eliminate duplicates Z: 92 73.003 2.376 1.137 0.506 0.923 0.615 CB 1.623 92 residues pruned to eliminate duplicates Z: 37 36.007 2.205 1.021 0.498 0.861 0.611 CB 1.566 37 residues pruned to eliminate duplicates Z: 11 12.379 1.668 0.586 0.864 0.900 0.700 CB 1.206 11 residues pruned to eliminate duplicates Z: 17 16.809 2.019 0.611 0.840 1.000 0.750 CB 0.964 15 residues pruned to eliminate duplicates Z: 16 30.225 2.216 0.750 0.838 0.933 0.733 CB 1.611 16 residues pruned to eliminate duplicates Z: 16 18.107 2.103 0.858 0.876 0.867 0.733 CB 1.003 17 residues pruned to eliminate duplicates Z: 14 34.261 2.195 0.820 0.910 1.000 0.769 CA 1.686 14 residues pruned to eliminate duplicates Z: 15 25.202 2.159 0.563 0.830 0.929 0.643 CB 1.616 15 residues pruned to eliminate duplicates Z: 20 33.420 2.285 1.079 0.689 0.842 0.474 CB 1.611 20 residues pruned to eliminate duplicates Z: 13 4.294 1.782 0.381 0.386 0.583 0.417 CB 0.975 Z: 63 63.740 2.381 1.129 0.512 0.935 0.613 CB 1.687 63 residues pruned to eliminate duplicates Z: 16 34.964 2.145 1.196 0.920 1.000 0.800 CB 1.350 16 residues pruned to eliminate duplicates Z: 30 15.082 1.783 0.829 0.328 0.897 0.517 CB 1.157 27 residues pruned to eliminate duplicates Z: 10 12.834 2.127 0.890 0.351 0.778 0.333 CA 1.609 10 residues pruned to eliminate duplicates Z: 42 37.259 2.349 0.893 0.428 0.854 0.537 CB 1.652 42 residues pruned to eliminate duplicates Z: 7 10.426 2.091 0.904 0.643 0.833 0.833 CB 1.123 9 residues pruned to eliminate duplicates Z: 6 8.575 1.961 0.434 0.768 0.800 0.600 CB 1.345 6 residues pruned to eliminate duplicates Z: 29 29.600 2.025 0.819 0.604 0.929 0.571 CB 1.481 30 residues pruned to eliminate duplicates Z: 20 8.274 1.615 0.308 0.446 0.947 0.632 CB 1.002 Z: 14 7.843 1.714 0.371 0.503 0.923 0.538 CB 1.001 Z: 51 32.568 2.029 0.772 0.627 0.960 0.700 CB 1.185 80 residues pruned to eliminate duplicates Z: 21 33.927 2.296 1.022 0.700 0.850 0.750 CB 1.602 21 residues pruned to eliminate duplicates Z: 17 33.206 2.116 1.088 0.704 1.000 0.812 CB 1.560 17 residues pruned to eliminate duplicates Z: 27 25.575 2.120 0.829 0.532 0.846 0.615 CB 1.481 27 residues pruned to eliminate duplicates Z: 48 40.243 2.190 0.846 0.502 0.936 0.574 CB 1.548 48 residues pruned to eliminate duplicates Z: 14 24.403 1.895 0.919 0.892 0.923 0.692 CB 1.448 14 residues pruned to eliminate duplicates Z: 22 13.280 1.634 0.562 0.654 0.905 0.667 CB 1.087 Z: 12 6.474 1.858 0.515 0.212 0.727 0.364 CB 1.339 12 residues pruned to eliminate duplicates Z: 16 28.631 2.142 0.801 0.851 0.867 0.400 CA 1.636 16 residues pruned to eliminate duplicates Z: 10 12.252 1.737 0.336 0.880 1.000 0.889 CB 1.275 10 residues pruned to eliminate duplicates Z: 7 18.026 2.430 0.609 0.846 0.833 0.833 CB 1.679 7 residues pruned to eliminate duplicates Z: 28 40.928 2.300 1.138 0.668 0.963 0.667 CB 1.423 28 residues pruned to eliminate duplicates Z: 7 8.328 1.702 0.378 0.693 1.000 1.000 CB 1.215 Z: 11 9.269 1.714 0.269 0.814 0.900 0.900 CB 1.140 11 residues pruned to eliminate duplicates Z: 20 26.376 1.987 0.896 0.754 0.895 0.632 CB 1.431 20 residues pruned to eliminate duplicates Z: 7 9.142 1.788 0.341 0.845 1.000 0.833 CB 1.158 7 residues pruned to eliminate duplicates Z: 16 20.606 1.914 0.792 0.871 0.933 0.733 CB 1.213 Z: 15 14.610 1.861 0.796 0.575 1.000 0.643 CB 1.087 15 residues pruned to eliminate duplicates Z: 28 27.433 2.079 1.019 0.534 0.852 0.630 CB 1.427 28 residues pruned to eliminate duplicates Z: 16 21.134 2.054 0.956 0.925 0.933 0.667 CB 1.021 16 residues pruned to eliminate duplicates Z: 46 41.040 2.205 1.042 0.466 0.933 0.489 CB 1.506 46 residues pruned to eliminate duplicates Z: 7 11.885 1.729 0.897 0.666 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 9 5.410 1.595 0.316 0.367 0.750 0.375 CB 1.401 Z: 6 10.119 2.018 0.606 0.616 0.800 0.800 CA 1.564 6 residues pruned to eliminate duplicates Z: 13 27.539 2.112 0.635 0.936 1.000 1.000 CA 1.603 13 residues pruned to eliminate duplicates Z: 7 3.556 1.688 0.759 0.678 0.500 0.500 CB 0.830 7 residues pruned to eliminate duplicates Z: 14 21.336 2.144 0.860 0.781 0.846 0.231 CB 1.369 14 residues pruned to eliminate duplicates Z: 77 64.773 2.366 1.051 0.497 0.934 0.579 CB 1.643 77 residues pruned to eliminate duplicates Z: 9 6.509 1.924 0.150 0.453 0.875 0.625 CB 1.247 Z: 13 31.508 2.192 0.809 0.938 1.000 1.000 CB 1.595 13 residues pruned to eliminate duplicates Z: 6 8.990 2.262 0.860 0.295 0.800 0.400 CA 1.503 6 residues pruned to eliminate duplicates Z: 12 11.016 1.565 0.299 0.886 1.000 0.818 CB 1.178 13 residues pruned to eliminate duplicates Z: 37 38.492 2.155 1.021 0.637 0.972 0.583 CB 1.332 53 residues pruned to eliminate duplicates Z: 11 9.855 1.732 0.257 0.826 0.900 0.900 CB 1.199 11 residues pruned to eliminate duplicates Z: 16 20.378 2.105 1.117 0.378 0.933 0.533 CB 1.440 16 residues pruned to eliminate duplicates Z: 98 68.563 2.362 1.083 0.503 0.887 0.598 CB 1.592 107 residues pruned to eliminate duplicates Z: 39 16.192 1.742 0.577 0.481 0.842 0.579 CB 1.158 80 residues pruned to eliminate duplicates Z: 16 16.277 1.981 0.945 0.300 0.867 0.533 CB 1.574 16 residues pruned to eliminate duplicates Z: 15 27.535 2.153 0.823 0.879 0.929 0.714 CB 1.464 15 residues pruned to eliminate duplicates Z: 42 35.798 2.157 0.819 0.508 0.951 0.659 CB 1.487 42 residues pruned to eliminate duplicates Z: 28 22.010 2.057 0.739 0.560 0.815 0.630 CB 1.370 28 residues pruned to eliminate duplicates Z: 17 15.656 1.860 0.511 0.805 0.812 0.562 CB 1.313 17 residues pruned to eliminate duplicates Z: 6 5.691 1.729 0.560 0.722 0.800 0.400 CB 0.966 6 residues pruned to eliminate duplicates Z: 10 8.025 1.694 0.209 0.815 1.000 0.778 CB 0.993 Z: 18 18.271 1.941 1.056 0.576 1.000 0.706 CB 1.032 18 residues pruned to eliminate duplicates Z: 11 15.361 1.720 0.669 0.907 1.000 0.900 CB 1.203 11 residues pruned to eliminate duplicates Z: 12 11.775 1.562 0.353 0.898 1.000 0.909 CB 1.202 10 residues pruned to eliminate duplicates Z: 43 38.218 2.180 0.993 0.520 0.929 0.595 CB 1.432 43 residues pruned to eliminate duplicates Z: 26 39.156 2.293 1.164 0.561 0.960 0.640 CB 1.549 26 residues pruned to eliminate duplicates Z: 6 4.036 1.567 0.169 0.723 1.000 0.800 CB 0.806 6 residues pruned to eliminate duplicates Z: 19 27.282 2.113 0.626 0.685 1.000 0.722 CB 1.579 19 residues pruned to eliminate duplicates Z: 40 52.735 2.376 1.100 0.547 0.949 0.744 CB 1.704 40 residues pruned to eliminate duplicates Z: 69 67.104 2.378 1.239 0.525 0.926 0.632 CB 1.609 69 residues pruned to eliminate duplicates Z: 15 9.998 1.616 0.673 0.527 0.786 0.500 CB 1.225 6 residues pruned to eliminate duplicates Z: 76 68.160 2.404 1.180 0.492 0.907 0.573 CB 1.669 76 residues pruned to eliminate duplicates Z: 11 5.043 1.541 0.127 0.426 0.900 0.500 CB 1.102 Z: 16 22.695 2.078 0.474 0.823 0.933 0.600 CB 1.550 16 residues pruned to eliminate duplicates Z: 19 15.900 1.828 0.977 0.529 0.889 0.500 CB 1.134 16 residues pruned to eliminate duplicates Z: 15 32.427 1.962 1.326 0.881 0.857 0.786 CA 1.604 15 residues pruned to eliminate duplicates Z: 44 35.069 2.014 0.895 0.491 0.953 0.558 CB 1.483 55 residues pruned to eliminate duplicates Z: 27 19.219 1.981 0.474 0.657 0.962 0.654 CB 1.161 Z: 11 2.956 1.532 0.204 0.219 0.700 0.400 CB 1.007 Z: 50 34.064 2.113 0.852 0.454 0.898 0.571 CB 1.452 50 residues pruned to eliminate duplicates Z: 26 30.950 2.216 0.941 0.512 0.920 0.640 CB 1.546 26 residues pruned to eliminate duplicates Z: 8 8.369 2.020 0.804 0.624 0.714 0.714 CB 1.081 11 residues pruned to eliminate duplicates Z: 17 30.486 2.190 0.770 0.736 0.938 0.688 CB 1.697 17 residues pruned to eliminate duplicates Z: 10 10.887 1.941 0.618 0.667 0.778 0.444 CB 1.273 10 residues pruned to eliminate duplicates Z: 15 26.239 2.147 0.710 0.889 1.000 0.857 CB 1.375 15 residues pruned to eliminate duplicates Z: 6 5.495 1.714 0.269 0.836 1.000 0.800 CA 0.846 6 residues pruned to eliminate duplicates Z: 19 17.647 1.826 0.560 0.610 0.944 0.667 CB 1.392 19 residues pruned to eliminate duplicates Z: 9 5.995 1.842 0.034 0.494 1.000 0.625 CB 1.120 9 residues pruned to eliminate duplicates Z: 8 11.714 2.138 1.000 0.366 0.857 0.857 CB 1.395 8 residues pruned to eliminate duplicates Z: 7 3.665 1.559 0.631 0.693 0.833 0.500 CB 0.592 7 residues pruned to eliminate duplicates Z: 11 10.972 1.692 0.219 0.887 1.000 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 26 22.295 1.935 0.824 0.473 0.880 0.560 CB 1.475 26 residues pruned to eliminate duplicates Z: 6 14.192 2.062 0.925 0.747 0.800 0.400 CA 1.603 4 residues pruned to eliminate duplicates Z: 16 21.778 2.090 0.717 0.697 1.000 0.533 CB 1.308 16 residues pruned to eliminate duplicates Z: 8 4.715 1.690 0.259 0.490 0.857 0.571 CB 0.987 8 residues pruned to eliminate duplicates Z: 7 2.555 1.620 0.253 0.145 1.000 0.667 CB 0.797 Z: 7 5.629 1.470 0.507 0.701 1.000 0.500 CA 0.864 Z: 19 21.500 2.129 0.473 0.728 0.889 0.556 CB 1.480 19 residues pruned to eliminate duplicates Z: 17 15.489 1.872 0.706 0.909 0.875 0.438 CB 0.983 17 residues pruned to eliminate duplicates Z: 103 66.967 2.338 1.025 0.490 0.892 0.627 CB 1.586 103 residues pruned to eliminate duplicates Z: 9 10.432 2.078 0.606 0.538 0.875 0.875 CB 1.217 9 residues pruned to eliminate duplicates Z: 14 11.118 1.763 0.853 0.566 0.846 0.462 CB 1.046 12 residues pruned to eliminate duplicates Z: 80 42.647 2.132 0.884 0.429 0.873 0.582 CB 1.473 80 residues pruned to eliminate duplicates Z: 8 15.591 2.084 0.607 0.716 1.000 0.714 CA 1.447 8 residues pruned to eliminate duplicates Z: 12 7.192 1.550 1.047 0.268 0.909 0.636 CB 0.979 12 residues pruned to eliminate duplicates Z: 84 49.895 2.291 0.980 0.397 0.855 0.578 CB 1.574 84 residues pruned to eliminate duplicates Z: 9 18.752 2.327 1.054 0.569 0.875 0.625 CB 1.483 9 residues pruned to eliminate duplicates Z: 10 12.542 1.675 0.683 0.911 1.000 0.778 CB 1.052 10 residues pruned to eliminate duplicates Z: 13 17.310 1.917 0.652 0.733 0.917 0.667 CB 1.395 13 residues pruned to eliminate duplicates Z: 42 36.681 2.040 0.983 0.497 0.976 0.732 CB 1.457 42 residues pruned to eliminate duplicates Z: 6 6.167 1.491 0.449 0.682 1.000 1.000 CB 1.079 Z: 6 9.107 2.036 0.685 0.801 0.800 0.600 CA 1.141 6 residues pruned to eliminate duplicates Z: 12 16.023 1.847 0.751 0.651 0.909 0.636 CB 1.428 11 residues pruned to eliminate duplicates Z: 9 8.930 1.757 0.141 0.888 1.000 0.750 CB 1.134 9 residues pruned to eliminate duplicates Z: 34 54.590 2.420 1.204 0.515 1.000 0.667 CB 1.754 34 residues pruned to eliminate duplicates Z: 6 7.101 1.857 0.342 0.805 1.000 0.800 CA 0.976 6 residues pruned to eliminate duplicates Z: 13 25.170 2.101 1.106 0.761 1.000 0.417 CB 1.302 14 residues pruned to eliminate duplicates Z: 7 18.543 2.142 0.724 0.719 1.000 1.000 C 1.682 7 residues pruned to eliminate duplicates Z: 45 20.021 1.880 0.505 0.532 0.841 0.659 CB 1.229 74 residues pruned to eliminate duplicates Z: 58 43.408 2.016 0.888 0.631 0.947 0.684 CB 1.409 59 residues pruned to eliminate duplicates 6 1.272 1.582 0.812 0.300 0.600 0.600 CB 0.414 ? Z: 19 9.942 1.860 0.451 0.394 0.889 0.444 CB 1.092 19 residues pruned to eliminate duplicates Z: 29 17.585 1.614 0.609 0.697 1.000 0.786 CB 1.069 Z: 76 66.300 2.367 1.159 0.511 0.920 0.627 CB 1.612 76 residues pruned to eliminate duplicates Z: 14 16.897 1.936 0.571 0.725 1.000 0.538 CB 1.258 14 residues pruned to eliminate duplicates Z: 50 26.120 1.984 0.683 0.536 0.898 0.633 CB 1.201 88 residues pruned to eliminate duplicates Z: 6 7.435 1.891 0.863 0.354 0.800 0.400 CA 1.382 6 residues pruned to eliminate duplicates Z: 6 8.002 1.744 0.756 0.468 1.000 0.600 CB 1.208 Z: 15 22.845 2.048 0.925 0.449 1.000 0.643 CB 1.632 15 residues pruned to eliminate duplicates Z: 41 39.022 2.349 0.991 0.494 0.875 0.675 CB 1.516 41 residues pruned to eliminate duplicates Z: 28 32.931 2.139 1.117 0.477 0.926 0.481 CB 1.548 28 residues pruned to eliminate duplicates Z: 51 31.736 2.009 0.799 0.534 0.860 0.660 CB 1.397 51 residues pruned to eliminate duplicates Z: 6 5.684 1.533 0.961 0.648 0.800 0.800 CB 0.921 Z: 14 43.758 2.255 1.141 0.908 1.000 0.846 CB 1.786 14 residues pruned to eliminate duplicates Z: 21 24.587 2.037 0.792 0.701 0.900 0.600 CB 1.394 21 residues pruned to eliminate duplicates Z: 14 20.767 1.972 0.650 0.755 0.923 0.769 CB 1.528 14 residues pruned to eliminate duplicates 7 1.863 1.539 0.648 0.252 0.833 0.667 CB 0.479 ? Z: 11 9.923 1.611 0.261 0.827 1.000 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 6.652 1.534 0.154 0.837 1.000 0.800 CB 1.257 Z: 16 25.802 2.129 0.891 0.841 0.933 0.600 CB 1.322 16 residues pruned to eliminate duplicates Z: 49 56.897 2.351 1.142 0.527 0.958 0.708 CB 1.656 49 residues pruned to eliminate duplicates Z: 10 8.247 1.631 0.673 0.531 0.889 0.556 CB 1.100 9 residues pruned to eliminate duplicates Z: 14 10.059 1.491 0.685 0.514 0.923 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 9 8.853 1.803 0.457 0.515 0.875 0.750 CB 1.342 9 residues pruned to eliminate duplicates Z: 14 19.083 1.928 0.609 0.755 0.846 0.692 CA 1.606 14 residues pruned to eliminate duplicates Z: 6 5.435 1.658 0.278 0.462 1.000 1.000 CB 1.193 5 residues pruned to eliminate duplicates Z: 43 35.514 2.129 0.919 0.593 0.810 0.571 CB 1.516 43 residues pruned to eliminate duplicates Z: 24 28.024 2.104 0.797 0.411 0.957 0.522 CB 1.774 24 residues pruned to eliminate duplicates Z: 9 5.825 1.480 0.343 0.616 0.875 0.750 CA 1.062 9 residues pruned to eliminate duplicates Z: 6 3.770 1.729 0.502 0.294 0.800 0.600 CB 1.023 Z: 10 10.523 1.776 0.169 0.882 1.000 0.778 CB 1.223 10 residues pruned to eliminate duplicates Z: 6 7.847 1.616 0.631 0.657 1.000 0.800 O 1.151 6 residues pruned to eliminate duplicates Z: 12 12.704 1.714 0.433 0.780 0.909 0.545 CA 1.339 12 residues pruned to eliminate duplicates Z: 47 43.588 2.203 1.062 0.519 0.935 0.609 CB 1.485 47 residues pruned to eliminate duplicates Z: 73 57.527 2.398 0.954 0.495 0.889 0.611 CB 1.635 73 residues pruned to eliminate duplicates Z: 8 10.486 1.757 0.468 0.610 1.000 0.714 CA 1.385 8 residues pruned to eliminate duplicates Z: 6 3.795 1.399 0.330 0.359 1.000 0.600 CB 1.062 Z: 46 30.982 2.101 0.857 0.448 0.911 0.600 CB 1.372 46 residues pruned to eliminate duplicates Z: 12 13.937 1.780 0.562 0.821 0.909 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 14.821 2.045 0.794 0.537 0.846 0.615 CB 1.277 14 residues pruned to eliminate duplicates Z: 42 23.285 1.927 0.656 0.574 0.902 0.561 CB 1.175 Z: 16 20.884 2.089 0.320 0.866 0.933 0.600 CB 1.534 16 residues pruned to eliminate duplicates Z: 31 26.046 1.989 0.736 0.652 0.967 0.667 CB 1.236 33 residues pruned to eliminate duplicates Z: 24 46.867 2.210 1.290 0.595 1.000 0.739 CB 1.763 24 residues pruned to eliminate duplicates Z: 12 10.863 1.578 0.338 0.829 1.000 0.818 CB 1.167 12 residues pruned to eliminate duplicates Z: 13 16.569 2.154 0.433 0.604 0.833 0.667 CB 1.684 13 residues pruned to eliminate duplicates Z: 16 20.679 2.007 0.886 0.661 0.867 0.533 CB 1.403 16 residues pruned to eliminate duplicates Z: 17 16.985 2.004 0.883 0.556 0.812 0.375 CB 1.311 17 residues pruned to eliminate duplicates Z: 46 32.797 2.097 0.966 0.467 0.844 0.556 CB 1.453 46 residues pruned to eliminate duplicates Z: 8 6.257 1.672 0.449 0.423 0.857 0.714 CB 1.233 Z: 17 30.455 2.215 1.378 0.504 0.938 0.625 CB 1.536 17 residues pruned to eliminate duplicates Z: 26 35.888 2.397 0.891 0.457 0.880 0.600 CB 1.881 26 residues pruned to eliminate duplicates Z: 31 21.167 1.951 0.766 0.377 0.867 0.567 CB 1.475 37 residues pruned to eliminate duplicates 405 residues left after pruning, divided into chains as follows: A: 130 B: 6 C: 170 D: 29 E: 28 F: 7 G: 35 CC for partial structure against native data = 40.11 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.760 for dens.mod. cycle 1 = 0.300, Contrast = 0.638, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.766, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.778, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.791, Connect. = 0.812 for dens.mod. cycle 5 = 0.300, Contrast = 0.795, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.800, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.802, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.804, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.805, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2001 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 498 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 34.591 2.435 0.790 0.856 0.917 0.583 CA 1.842 B: 12 33.747 2.270 1.018 0.852 1.000 0.818 CB 1.642 C: 17 35.244 2.209 0.751 0.865 0.938 0.688 CA 1.780 13 residues pruned to eliminate duplicates D: 13 36.698 2.294 0.721 0.857 1.000 0.833 CA 1.977 12 residues pruned to eliminate duplicates E: 26 56.076 2.508 1.254 0.647 0.960 0.560 CB 1.802 14 residues pruned to eliminate duplicates F: 15 31.805 2.225 0.895 0.844 0.929 0.643 CB 1.615 15 residues pruned to eliminate duplicates G: 16 35.757 2.444 0.976 0.803 0.933 0.533 CB 1.572 15 residues pruned to eliminate duplicates H: 13 37.692 2.320 0.738 0.885 1.000 0.833 CA 1.949 13 residues pruned to eliminate duplicates I: 17 33.303 2.234 0.824 0.826 0.875 0.562 CB 1.761 17 residues pruned to eliminate duplicates J: 29 57.183 2.466 1.210 0.682 1.000 0.607 CB 1.677 29 residues pruned to eliminate duplicates K: 37 44.754 2.452 0.968 0.434 0.861 0.556 CB 1.921 23 residues pruned to eliminate duplicates L: 32 31.791 2.044 0.553 0.840 0.935 0.774 CB 1.434 31 residues pruned to eliminate duplicates M: 13 20.355 1.970 0.438 0.837 0.917 0.667 CA 1.692 N: 14 42.196 2.217 1.135 0.922 1.000 0.846 CB 1.738 O: 14 31.685 2.278 0.659 0.858 0.923 0.769 CB 1.854 14 residues pruned to eliminate duplicates P: 14 36.482 2.232 1.155 0.890 0.923 0.692 CB 1.640 14 residues pruned to eliminate duplicates Q: 15 36.272 2.168 1.037 0.832 1.000 0.786 CA 1.648 15 residues pruned to eliminate duplicates R: 15 38.492 2.148 1.303 0.917 1.000 0.643 CB 1.468 15 residues pruned to eliminate duplicates S: 13 22.452 2.397 0.219 0.865 0.917 0.750 CB 1.773 T: 13 41.179 2.375 1.011 0.897 1.000 0.833 CB 1.781 14 residues pruned to eliminate duplicates U: 28 50.125 2.530 1.065 0.661 0.926 0.593 CB 1.717 28 residues pruned to eliminate duplicates V: 9 21.731 2.280 0.502 0.827 1.000 0.625 CA 1.691 9 residues pruned to eliminate duplicates W: 46 32.584 2.108 0.539 0.594 0.978 0.622 CB 1.399 X: 9 38.031 2.655 0.715 0.908 1.000 1.000 CB 2.098 9 residues pruned to eliminate duplicates Y: 13 29.779 2.330 0.468 0.931 1.000 0.917 CA 1.756 13 residues pruned to eliminate duplicates Z: 15 23.769 2.025 0.481 0.856 0.929 0.857 CB 1.681 26 residues pruned to eliminate duplicates Z: 19 20.332 2.290 0.882 0.528 0.889 0.556 CB 1.217 Z: 12 34.180 2.330 0.814 0.869 1.000 0.818 CA 1.781 12 residues pruned to eliminate duplicates Z: 14 40.412 2.377 0.830 0.926 1.000 0.692 CA 1.806 Z: 12 37.413 2.444 0.845 0.870 0.909 0.818 CA 2.009 12 residues pruned to eliminate duplicates Z: 15 30.606 2.163 0.746 0.857 1.000 0.786 CA 1.595 15 residues pruned to eliminate duplicates Z: 6 5.671 1.980 0.368 0.801 0.600 0.600 CA 1.199 6 residues pruned to eliminate duplicates Z: 16 18.416 2.144 0.364 0.794 0.933 0.733 CB 1.346 Z: 17 24.972 2.031 0.837 0.858 0.938 0.688 CB 1.314 17 residues pruned to eliminate duplicates Z: 14 27.002 2.297 1.041 0.880 0.846 0.538 CB 1.368 14 residues pruned to eliminate duplicates Z: 15 45.505 2.178 1.256 0.903 1.000 0.714 CB 1.763 15 residues pruned to eliminate duplicates Z: 29 56.317 2.475 1.328 0.673 0.929 0.607 CB 1.697 29 residues pruned to eliminate duplicates Z: 12 48.690 2.611 0.952 0.927 1.000 1.000 CB 2.019 12 residues pruned to eliminate duplicates Z: 27 50.788 2.448 1.165 0.670 0.923 0.692 CB 1.739 27 residues pruned to eliminate duplicates Z: 113 78.322 2.470 0.917 0.487 0.902 0.580 CB 1.756 89 residues pruned to eliminate duplicates Z: 16 32.519 2.212 0.855 0.922 1.000 0.867 CB 1.439 Z: 16 21.458 2.134 0.753 0.795 0.867 0.400 CB 1.320 16 residues pruned to eliminate duplicates Z: 14 33.001 2.210 0.835 0.893 0.923 0.769 CA 1.755 14 residues pruned to eliminate duplicates Z: 118 78.857 2.394 0.991 0.522 0.923 0.573 CB 1.622 113 residues pruned to eliminate duplicates Z: 54 34.435 2.093 0.685 0.552 0.943 0.679 CB 1.352 48 residues pruned to eliminate duplicates Z: 15 28.326 2.180 0.758 0.802 0.929 0.571 CB 1.633 Z: 17 21.433 2.171 0.768 0.800 0.812 0.625 CB 1.321 17 residues pruned to eliminate duplicates Z: 18 22.574 2.152 0.435 0.825 0.941 0.706 CB 1.422 15 residues pruned to eliminate duplicates Z: 28 40.268 2.370 0.953 0.608 0.926 0.667 CB 1.632 28 residues pruned to eliminate duplicates Z: 15 35.935 2.165 1.090 0.861 0.929 0.643 CB 1.679 15 residues pruned to eliminate duplicates Z: 25 38.259 2.420 0.994 0.586 0.833 0.708 CB 1.788 14 residues pruned to eliminate duplicates Z: 41 31.434 2.047 0.691 0.564 0.925 0.600 CB 1.459 2 residues pruned to eliminate duplicates Z: 6 6.824 1.821 0.513 0.740 0.800 0.200 CA 1.117 Z: 27 55.856 2.544 1.128 0.699 0.962 0.692 CB 1.755 16 residues pruned to eliminate duplicates Z: 15 22.869 2.149 0.292 0.862 0.929 0.714 CA 1.740 15 residues pruned to eliminate duplicates Z: 14 36.115 2.309 0.814 0.922 1.000 0.923 CB 1.681 14 residues pruned to eliminate duplicates Z: 16 22.161 2.126 0.670 0.814 0.867 0.533 CB 1.415 16 residues pruned to eliminate duplicates Z: 12 30.283 2.407 0.605 0.925 1.000 0.909 CB 1.659 12 residues pruned to eliminate duplicates Z: 7 24.445 2.535 0.527 0.859 1.000 0.833 CB 1.897 7 residues pruned to eliminate duplicates Z: 15 31.660 2.238 0.869 0.763 1.000 0.714 CB 1.602 13 residues pruned to eliminate duplicates Z: 8 12.761 1.895 0.906 0.540 0.857 0.143 CB 1.498 Z: 7 12.933 1.995 0.642 0.721 0.833 0.333 CA 1.584 7 residues pruned to eliminate duplicates Z: 70 68.064 2.526 1.033 0.507 0.870 0.638 CB 1.822 70 residues pruned to eliminate duplicates Z: 19 31.411 2.403 0.731 0.796 0.889 0.611 CB 1.544 19 residues pruned to eliminate duplicates Z: 16 38.269 2.138 1.026 0.875 1.000 0.600 CA 1.660 16 residues pruned to eliminate duplicates Z: 13 32.295 2.190 1.184 0.921 0.833 0.833 CB 1.646 13 residues pruned to eliminate duplicates Z: 12 46.866 2.361 1.183 0.946 1.000 0.818 CB 1.897 14 residues pruned to eliminate duplicates Z: 11 20.168 2.193 0.111 0.910 1.000 0.900 CA 1.857 Z: 28 36.908 2.213 1.141 0.505 0.852 0.519 CB 1.751 24 residues pruned to eliminate duplicates Z: 36 38.987 2.240 0.864 0.610 0.971 0.571 CB 1.465 35 residues pruned to eliminate duplicates Z: 42 30.859 2.021 0.727 0.568 0.902 0.634 CB 1.433 42 residues pruned to eliminate duplicates Z: 6 6.773 1.863 0.272 0.656 0.800 0.600 CA 1.383 6 residues pruned to eliminate duplicates Z: 86 69.002 2.468 0.837 0.490 0.929 0.553 CB 1.793 86 residues pruned to eliminate duplicates Z: 14 26.634 2.209 0.905 0.843 0.846 0.769 CA 1.544 14 residues pruned to eliminate duplicates Z: 45 32.209 2.099 0.597 0.584 0.955 0.659 CB 1.401 45 residues pruned to eliminate duplicates Z: 14 35.357 2.256 1.001 0.885 0.923 0.769 CA 1.699 14 residues pruned to eliminate duplicates Z: 12 13.981 1.983 0.520 0.533 0.909 0.636 CB 1.489 12 residues pruned to eliminate duplicates Z: 51 38.719 2.214 0.932 0.472 0.840 0.500 CB 1.568 31 residues pruned to eliminate duplicates Z: 45 52.075 2.596 0.901 0.449 0.864 0.636 CB 1.942 45 residues pruned to eliminate duplicates Z: 20 26.888 2.201 0.790 0.782 0.895 0.632 CB 1.365 20 residues pruned to eliminate duplicates Z: 11 36.377 2.445 0.877 0.901 1.000 1.000 CB 1.789 11 residues pruned to eliminate duplicates Z: 19 28.201 2.042 0.739 0.779 0.944 0.500 CB 1.549 15 residues pruned to eliminate duplicates Z: 76 60.782 2.526 0.925 0.478 0.853 0.547 CB 1.730 76 residues pruned to eliminate duplicates Z: 16 24.262 2.122 0.554 0.835 0.867 0.533 CB 1.642 16 residues pruned to eliminate duplicates Z: 17 21.686 2.223 0.449 0.832 0.938 0.500 CB 1.348 17 residues pruned to eliminate duplicates Z: 86 62.980 2.423 0.846 0.486 0.906 0.588 CB 1.710 86 residues pruned to eliminate duplicates Z: 16 25.463 1.918 0.717 0.865 0.933 0.800 CA 1.567 11 residues pruned to eliminate duplicates Z: 16 34.745 2.146 1.005 0.845 0.933 0.733 CB 1.661 13 residues pruned to eliminate duplicates Z: 15 24.702 2.091 0.554 0.826 0.929 0.643 CB 1.650 15 residues pruned to eliminate duplicates Z: 15 31.495 2.211 0.793 0.830 1.000 0.571 CB 1.596 17 residues pruned to eliminate duplicates Z: 8 14.171 1.732 0.792 0.802 1.000 0.286 C 1.326 8 residues pruned to eliminate duplicates Z: 31 28.411 2.219 0.683 0.611 0.867 0.633 CB 1.443 30 residues pruned to eliminate duplicates Z: 15 33.502 2.106 0.769 0.916 1.000 0.929 CA 1.698 15 residues pruned to eliminate duplicates Z: 16 29.011 2.031 0.748 0.862 0.933 0.667 CA 1.660 36 residues pruned to eliminate duplicates Z: 44 55.801 2.607 1.002 0.477 0.884 0.628 CB 1.889 44 residues pruned to eliminate duplicates Z: 27 27.987 2.301 0.638 0.623 0.885 0.654 CB 1.466 27 residues pruned to eliminate duplicates Z: 102 64.839 2.310 0.892 0.501 0.921 0.564 CB 1.601 129 residues pruned to eliminate duplicates Z: 65 50.963 2.307 0.971 0.456 0.906 0.641 CB 1.617 65 residues pruned to eliminate duplicates Z: 14 19.699 1.928 0.366 0.810 1.000 0.692 CB 1.583 14 residues pruned to eliminate duplicates Z: 11 18.229 1.952 0.432 0.817 1.000 0.400 CB 1.565 11 residues pruned to eliminate duplicates Z: 16 22.068 2.087 0.781 0.843 0.933 0.800 CB 1.222 16 residues pruned to eliminate duplicates Z: 16 28.388 2.450 1.195 0.516 0.867 0.667 CB 1.549 16 residues pruned to eliminate duplicates Z: 7 8.837 2.081 0.679 0.526 0.667 0.500 CB 1.510 7 residues pruned to eliminate duplicates Z: 14 27.184 1.940 0.942 0.848 1.000 0.923 CB 1.485 14 residues pruned to eliminate duplicates Z: 17 27.440 2.087 0.722 0.856 0.875 0.562 N 1.609 17 residues pruned to eliminate duplicates Z: 15 31.162 2.178 0.849 0.901 0.929 0.857 CB 1.589 15 residues pruned to eliminate duplicates Z: 12 14.230 1.923 0.559 0.746 0.818 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 44 36.796 2.236 0.977 0.420 0.884 0.558 CB 1.561 44 residues pruned to eliminate duplicates Z: 12 14.306 1.930 0.454 0.812 0.727 0.636 CA 1.610 12 residues pruned to eliminate duplicates Z: 49 54.038 2.597 0.979 0.464 0.875 0.604 CB 1.800 49 residues pruned to eliminate duplicates Z: 19 23.404 2.139 0.342 0.784 0.944 0.667 CB 1.585 18 residues pruned to eliminate duplicates Z: 30 29.519 1.972 0.618 0.676 0.966 0.759 CB 1.513 30 residues pruned to eliminate duplicates Z: 13 27.952 2.318 0.629 0.891 1.000 0.667 CB 1.536 13 residues pruned to eliminate duplicates Z: 10 19.842 2.175 0.893 0.700 0.889 0.556 CB 1.506 10 residues pruned to eliminate duplicates Z: 32 33.937 2.311 0.912 0.477 0.839 0.645 CB 1.682 34 residues pruned to eliminate duplicates Z: 90 63.971 2.468 0.918 0.431 0.888 0.573 CB 1.733 90 residues pruned to eliminate duplicates Z: 91 72.905 2.478 0.967 0.522 0.900 0.589 CB 1.714 90 residues pruned to eliminate duplicates Z: 15 23.133 2.214 0.400 0.830 1.000 0.643 CB 1.500 15 residues pruned to eliminate duplicates Z: 59 37.208 2.094 0.598 0.618 0.914 0.724 CB 1.429 59 residues pruned to eliminate duplicates Z: 15 29.312 2.235 0.583 0.846 1.000 0.643 CB 1.645 14 residues pruned to eliminate duplicates Z: 7 22.075 2.104 1.133 0.774 1.000 0.667 CB 1.576 7 residues pruned to eliminate duplicates Z: 18 26.053 2.194 0.503 0.823 1.000 0.765 CB 1.448 18 residues pruned to eliminate duplicates Z: 18 26.532 2.165 0.677 0.836 0.941 0.647 CB 1.410 18 residues pruned to eliminate duplicates Z: 27 62.924 2.482 1.318 0.743 1.000 0.692 CB 1.726 27 residues pruned to eliminate duplicates Z: 30 34.795 2.259 0.979 0.465 0.862 0.586 CB 1.737 30 residues pruned to eliminate duplicates Z: 27 59.497 2.515 1.206 0.703 0.962 0.692 CB 1.817 27 residues pruned to eliminate duplicates Z: 57 65.777 2.560 1.034 0.516 0.911 0.696 CB 1.825 57 residues pruned to eliminate duplicates Z: 35 39.894 2.517 0.783 0.434 0.853 0.500 CB 1.913 35 residues pruned to eliminate duplicates Z: 16 29.964 2.093 0.777 0.824 0.933 0.800 CA 1.684 16 residues pruned to eliminate duplicates Z: 88 42.289 2.252 0.750 0.463 0.862 0.609 CB 1.385 88 residues pruned to eliminate duplicates Z: 11 14.688 1.770 0.578 0.914 1.000 0.900 CB 1.176 11 residues pruned to eliminate duplicates Z: 13 25.732 2.074 0.612 0.842 0.917 0.667 CB 1.805 13 residues pruned to eliminate duplicates Z: 13 27.820 2.309 0.864 0.925 1.000 0.500 CB 1.309 13 residues pruned to eliminate duplicates Z: 17 24.885 2.164 0.406 0.832 0.938 0.688 CB 1.638 17 residues pruned to eliminate duplicates Z: 29 22.976 1.919 0.590 0.590 0.929 0.679 CB 1.406 29 residues pruned to eliminate duplicates Z: 14 23.278 2.344 0.384 0.854 0.923 0.538 CB 1.592 14 residues pruned to eliminate duplicates Z: 18 25.354 2.172 0.556 0.822 0.941 0.706 CB 1.462 18 residues pruned to eliminate duplicates Z: 10 18.333 2.119 0.497 0.853 0.889 0.778 CB 1.603 10 residues pruned to eliminate duplicates Z: 16 36.851 2.266 1.005 0.924 1.000 0.733 CB 1.470 16 residues pruned to eliminate duplicates Z: 19 25.535 2.057 0.716 0.815 1.000 0.778 CB 1.297 19 residues pruned to eliminate duplicates Z: 29 25.804 2.088 0.649 0.648 0.893 0.643 CB 1.381 19 residues pruned to eliminate duplicates Z: 18 28.136 2.295 0.489 0.777 1.000 0.765 CB 1.564 18 residues pruned to eliminate duplicates Z: 6 8.007 1.908 0.004 0.747 1.000 0.800 CB 1.500 6 residues pruned to eliminate duplicates Z: 21 21.797 2.135 0.945 0.464 0.800 0.500 CB 1.522 18 residues pruned to eliminate duplicates Z: 18 27.516 2.274 0.494 0.822 1.000 0.588 CB 1.486 Z: 11 36.938 2.547 0.851 0.890 1.000 0.500 CB 1.782 11 residues pruned to eliminate duplicates Z: 12 22.845 2.115 0.661 0.817 0.909 0.636 CB 1.638 12 residues pruned to eliminate duplicates Z: 103 63.314 2.284 0.928 0.483 0.912 0.598 CB 1.588 103 residues pruned to eliminate duplicates Z: 58 37.972 2.103 0.544 0.604 0.947 0.702 CB 1.480 58 residues pruned to eliminate duplicates Z: 88 76.875 2.522 0.961 0.511 0.931 0.586 CB 1.770 88 residues pruned to eliminate duplicates Z: 31 42.415 2.220 1.163 0.532 0.933 0.600 CB 1.674 31 residues pruned to eliminate duplicates Z: 76 54.703 2.297 0.924 0.487 0.893 0.653 CB 1.621 76 residues pruned to eliminate duplicates Z: 73 62.536 2.517 0.919 0.499 0.889 0.583 CB 1.719 73 residues pruned to eliminate duplicates Z: 54 42.271 2.150 0.886 0.531 0.925 0.623 CB 1.501 54 residues pruned to eliminate duplicates Z: 9 6.761 1.716 0.687 0.377 0.625 0.625 CB 1.506 Z: 13 39.553 2.306 0.982 0.889 1.000 0.750 CB 1.798 13 residues pruned to eliminate duplicates Z: 34 35.598 2.327 0.877 0.513 0.818 0.636 CB 1.712 35 residues pruned to eliminate duplicates Z: 10 23.012 2.311 0.589 0.919 1.000 0.778 CB 1.472 10 residues pruned to eliminate duplicates Z: 15 21.166 2.240 0.402 0.798 0.929 0.643 CB 1.494 15 residues pruned to eliminate duplicates Z: 8 8.514 2.032 0.491 0.488 0.857 0.571 CB 1.254 8 residues pruned to eliminate duplicates Z: 27 31.228 2.352 0.939 0.547 0.808 0.538 CB 1.588 27 residues pruned to eliminate duplicates Z: 13 11.363 1.843 0.710 0.418 0.833 0.500 CB 1.361 10 residues pruned to eliminate duplicates Z: 17 19.186 2.174 0.230 0.814 0.938 0.812 CB 1.456 17 residues pruned to eliminate duplicates Z: 11 13.434 1.775 0.489 0.910 1.000 0.600 CB 1.140 11 residues pruned to eliminate duplicates Z: 11 18.408 1.951 0.789 0.823 0.800 0.500 CB 1.576 11 residues pruned to eliminate duplicates Z: 7 8.424 1.901 0.263 0.868 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 13 20.571 2.115 0.543 0.817 0.917 0.833 CB 1.507 13 residues pruned to eliminate duplicates Z: 14 27.381 2.312 0.751 0.812 0.846 0.615 CA 1.690 14 residues pruned to eliminate duplicates Z: 16 29.799 2.210 0.705 0.919 1.000 1.000 CB 1.439 16 residues pruned to eliminate duplicates Z: 49 52.795 2.573 0.972 0.447 0.875 0.583 CB 1.812 49 residues pruned to eliminate duplicates Z: 6 5.423 2.060 -0.125 0.675 0.800 0.600 CB 1.432 6 residues pruned to eliminate duplicates Z: 17 35.153 2.181 0.961 0.862 0.938 0.500 CB 1.608 17 residues pruned to eliminate duplicates Z: 75 47.852 2.248 0.842 0.447 0.919 0.595 CB 1.543 75 residues pruned to eliminate duplicates Z: 98 75.560 2.522 0.901 0.489 0.907 0.598 CB 1.783 98 residues pruned to eliminate duplicates Z: 26 19.184 1.805 0.462 0.634 1.000 0.640 CB 1.282 9 residues pruned to eliminate duplicates Z: 11 9.928 1.743 0.326 0.889 0.900 0.800 CB 1.087 11 residues pruned to eliminate duplicates Z: 74 49.269 2.296 0.780 0.476 0.904 0.562 CB 1.599 74 residues pruned to eliminate duplicates Z: 9 11.865 1.831 0.366 0.795 1.000 0.875 CB 1.296 9 residues pruned to eliminate duplicates Z: 18 29.167 2.340 0.989 0.427 0.882 0.647 CA 1.859 18 residues pruned to eliminate duplicates Z: 16 24.807 2.146 0.433 0.891 1.000 1.000 CB 1.497 16 residues pruned to eliminate duplicates Z: 17 17.262 2.052 0.271 0.892 0.938 0.875 CB 1.268 17 residues pruned to eliminate duplicates Z: 73 50.636 2.256 0.903 0.501 0.889 0.542 CB 1.562 73 residues pruned to eliminate duplicates Z: 7 9.690 1.999 0.929 0.668 0.833 0.667 CB 1.054 7 residues pruned to eliminate duplicates Z: 25 18.085 1.819 0.438 0.597 0.958 0.750 CB 1.342 25 residues pruned to eliminate duplicates Z: 43 35.967 2.225 0.890 0.425 0.905 0.500 CB 1.577 43 residues pruned to eliminate duplicates Z: 39 34.184 2.215 0.748 0.547 0.947 0.632 CB 1.445 27 residues pruned to eliminate duplicates Z: 27 18.401 1.783 0.449 0.592 1.000 0.654 CB 1.279 26 residues pruned to eliminate duplicates Z: 21 13.462 1.929 0.694 0.452 0.850 0.550 CB 1.138 21 residues pruned to eliminate duplicates Z: 17 20.527 2.055 0.682 0.872 0.875 0.812 CB 1.237 17 residues pruned to eliminate duplicates Z: 7 16.949 2.102 0.489 0.725 1.000 0.500 CB 1.804 7 residues pruned to eliminate duplicates Z: 11 10.968 1.794 0.359 0.806 0.800 0.700 CB 1.362 11 residues pruned to eliminate duplicates Z: 41 53.692 2.438 1.074 0.534 0.950 0.675 CB 1.709 51 residues pruned to eliminate duplicates Z: 44 20.067 1.944 0.550 0.434 0.814 0.465 CB 1.337 44 residues pruned to eliminate duplicates Z: 18 25.795 2.191 0.451 0.817 1.000 0.706 CB 1.494 19 residues pruned to eliminate duplicates Z: 6 8.874 1.975 0.198 0.682 1.000 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 10 12.725 1.849 0.517 0.815 0.778 0.556 CB 1.479 10 residues pruned to eliminate duplicates Z: 12 13.264 1.729 0.251 0.884 1.000 0.727 CB 1.336 11 residues pruned to eliminate duplicates Z: 15 6.578 1.522 0.271 0.467 0.929 0.571 CB 1.011 Z: 18 21.691 2.162 0.346 0.806 0.882 0.647 CB 1.568 18 residues pruned to eliminate duplicates Z: 9 6.902 1.703 0.678 0.457 0.875 0.500 CB 1.020 Z: 16 20.816 2.219 0.435 0.789 0.867 0.733 CB 1.511 16 residues pruned to eliminate duplicates Z: 11 13.973 1.841 0.272 0.889 1.000 0.800 CB 1.358 11 residues pruned to eliminate duplicates Z: 8 6.787 1.759 0.544 0.381 0.857 0.571 CA 1.251 7 residues pruned to eliminate duplicates Z: 19 16.668 2.067 0.606 0.456 0.833 0.722 CB 1.485 19 residues pruned to eliminate duplicates Z: 16 24.329 2.093 0.861 0.905 0.867 0.533 CB 1.325 16 residues pruned to eliminate duplicates Z: 7 10.898 1.910 0.378 0.888 1.000 0.500 CB 1.217 7 residues pruned to eliminate duplicates Z: 17 18.741 2.113 0.669 0.480 0.938 0.688 CB 1.447 17 residues pruned to eliminate duplicates Z: 6 5.004 1.578 0.732 0.697 0.600 0.600 CB 1.140 Z: 98 61.110 2.320 0.900 0.489 0.897 0.567 CB 1.587 98 residues pruned to eliminate duplicates Z: 10 13.265 2.066 1.093 0.348 0.778 0.556 CB 1.550 10 residues pruned to eliminate duplicates Z: 15 37.683 2.321 0.979 0.917 1.000 0.643 CB 1.547 15 residues pruned to eliminate duplicates Z: 59 48.640 2.331 0.907 0.495 0.897 0.672 CB 1.611 59 residues pruned to eliminate duplicates Z: 12 12.480 1.742 0.255 0.845 1.000 0.818 CB 1.279 12 residues pruned to eliminate duplicates Z: 11 13.340 1.783 0.293 0.848 0.900 0.800 CA 1.509 11 residues pruned to eliminate duplicates Z: 24 36.168 2.376 1.002 0.495 0.913 0.522 CB 1.746 24 residues pruned to eliminate duplicates Z: 85 64.407 2.371 1.046 0.472 0.917 0.607 CB 1.626 85 residues pruned to eliminate duplicates Z: 30 29.747 1.958 0.751 0.651 0.931 0.724 CB 1.504 30 residues pruned to eliminate duplicates Z: 6 6.024 1.908 0.453 0.632 1.000 0.800 CB 0.859 6 residues pruned to eliminate duplicates Z: 19 25.265 2.066 0.614 0.863 0.889 0.667 CB 1.474 18 residues pruned to eliminate duplicates Z: 20 31.392 2.227 0.557 0.771 1.000 0.632 CB 1.634 20 residues pruned to eliminate duplicates Z: 29 28.790 2.190 0.857 0.526 0.929 0.679 CB 1.404 35 residues pruned to eliminate duplicates Z: 6 8.087 1.784 0.580 0.839 0.800 0.600 CB 1.197 6 residues pruned to eliminate duplicates Z: 8 12.306 1.767 0.420 0.836 1.000 0.714 CB 1.387 8 residues pruned to eliminate duplicates Z: 6 4.243 1.774 0.584 0.391 0.600 0.600 N 1.262 6 residues pruned to eliminate duplicates Z: 30 28.746 2.136 0.783 0.553 0.828 0.690 CB 1.609 25 residues pruned to eliminate duplicates Z: 12 18.261 2.197 0.212 0.840 1.000 0.818 CA 1.543 12 residues pruned to eliminate duplicates Z: 23 37.001 2.472 0.984 0.457 0.864 0.727 CA 1.947 23 residues pruned to eliminate duplicates Z: 28 44.691 2.292 1.140 0.544 0.963 0.630 CB 1.745 28 residues pruned to eliminate duplicates Z: 8 26.022 2.377 0.592 0.870 1.000 0.571 CB 1.896 8 residues pruned to eliminate duplicates Z: 13 19.684 2.053 0.706 0.726 0.917 0.667 CA 1.444 13 residues pruned to eliminate duplicates Z: 15 18.731 1.936 0.881 0.778 0.786 0.786 CB 1.369 15 residues pruned to eliminate duplicates Z: 32 20.213 1.955 0.495 0.581 0.903 0.516 CB 1.272 32 residues pruned to eliminate duplicates Z: 11 10.151 2.111 0.644 0.317 0.800 0.600 CB 1.415 11 residues pruned to eliminate duplicates Z: 90 73.961 2.484 0.815 0.541 0.944 0.539 CB 1.769 90 residues pruned to eliminate duplicates Z: 12 16.954 2.139 0.823 0.290 0.909 0.727 CB 1.824 12 residues pruned to eliminate duplicates Z: 28 33.025 2.231 1.017 0.580 0.889 0.667 CB 1.471 28 residues pruned to eliminate duplicates Z: 16 40.623 2.270 1.124 0.899 1.000 0.667 CB 1.555 16 residues pruned to eliminate duplicates Z: 28 27.950 2.153 0.585 0.679 0.926 0.704 CB 1.444 28 residues pruned to eliminate duplicates Z: 12 7.097 1.600 0.073 0.875 0.909 0.636 CB 0.997 10 residues pruned to eliminate duplicates Z: 44 41.410 2.296 0.850 0.481 0.907 0.628 CB 1.672 44 residues pruned to eliminate duplicates Z: 26 17.402 1.929 0.900 0.384 0.800 0.520 CB 1.343 26 residues pruned to eliminate duplicates Z: 28 34.353 2.338 0.952 0.560 0.889 0.519 CB 1.538 28 residues pruned to eliminate duplicates Z: 31 33.879 2.292 0.572 0.659 0.967 0.800 CB 1.532 18 residues pruned to eliminate duplicates Z: 77 62.700 2.424 0.935 0.489 0.895 0.605 CB 1.733 77 residues pruned to eliminate duplicates Z: 114 68.604 2.454 0.805 0.478 0.850 0.593 CB 1.754 114 residues pruned to eliminate duplicates Z: 81 52.901 2.264 0.814 0.471 0.925 0.600 CB 1.604 81 residues pruned to eliminate duplicates Z: 8 11.946 1.830 0.372 0.904 1.000 0.857 CB 1.280 8 residues pruned to eliminate duplicates Z: 18 19.612 2.078 0.706 0.475 1.000 0.765 CB 1.376 18 residues pruned to eliminate duplicates Z: 19 44.984 2.492 1.101 0.685 0.944 0.500 CB 1.810 19 residues pruned to eliminate duplicates Z: 7 3.870 1.706 -0.056 0.666 1.000 0.833 CB 0.841 Z: 64 58.682 2.529 0.854 0.482 0.889 0.619 CB 1.807 64 residues pruned to eliminate duplicates Z: 22 24.522 1.932 1.002 0.568 0.905 0.524 CB 1.432 22 residues pruned to eliminate duplicates Z: 70 61.521 2.491 0.841 0.515 0.884 0.667 CB 1.800 70 residues pruned to eliminate duplicates Z: 19 11.649 2.039 0.186 0.381 1.000 0.611 CB 1.289 19 residues pruned to eliminate duplicates Z: 14 15.401 2.076 0.485 0.524 1.000 0.846 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 13.406 1.823 0.477 0.897 1.000 0.778 CB 1.188 10 residues pruned to eliminate duplicates Z: 12 43.731 2.419 1.116 0.937 1.000 1.000 CB 1.792 12 residues pruned to eliminate duplicates Z: 61 48.398 2.167 1.098 0.466 0.917 0.583 CB 1.552 61 residues pruned to eliminate duplicates Z: 8 5.087 1.465 1.046 0.474 0.714 0.571 N 0.922 Z: 11 14.052 1.808 0.241 0.886 1.000 0.800 CB 1.429 11 residues pruned to eliminate duplicates Z: 13 6.362 1.543 0.099 0.480 1.000 0.417 CB 1.105 13 residues pruned to eliminate duplicates Z: 11 19.303 1.895 0.483 0.863 1.000 0.600 CB 1.595 11 residues pruned to eliminate duplicates Z: 49 25.858 2.130 0.358 0.521 0.938 0.688 CB 1.347 49 residues pruned to eliminate duplicates Z: 49 28.741 2.112 0.547 0.520 0.854 0.521 CB 1.458 49 residues pruned to eliminate duplicates Z: 72 63.305 2.530 0.869 0.473 0.887 0.549 CB 1.841 72 residues pruned to eliminate duplicates Z: 17 19.957 2.054 0.286 0.902 1.000 0.812 CB 1.347 17 residues pruned to eliminate duplicates Z: 11 11.590 1.746 0.348 0.864 1.000 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 8 10.717 1.822 0.399 0.584 1.000 0.571 CA 1.466 8 residues pruned to eliminate duplicates Z: 9 4.066 1.764 0.012 0.363 0.750 0.500 CB 1.243 Z: 15 19.191 2.052 0.702 0.467 0.929 0.786 CB 1.635 15 residues pruned to eliminate duplicates Z: 22 32.759 2.373 0.806 0.604 0.905 0.667 CB 1.670 22 residues pruned to eliminate duplicates Z: 17 25.388 2.244 0.420 0.799 0.938 0.562 CB 1.636 17 residues pruned to eliminate duplicates Z: 40 28.179 1.855 0.785 0.625 0.923 0.615 CB 1.313 40 residues pruned to eliminate duplicates Z: 8 13.845 1.763 0.789 0.712 1.000 0.714 C 1.369 8 residues pruned to eliminate duplicates Z: 77 49.381 2.223 0.735 0.561 0.947 0.658 CB 1.461 79 residues pruned to eliminate duplicates Z: 21 12.757 1.814 0.168 0.533 1.000 0.700 CB 1.304 21 residues pruned to eliminate duplicates Z: 6 7.408 2.109 0.233 0.753 1.000 1.000 CA 1.016 6 residues pruned to eliminate duplicates Z: 22 24.019 2.090 0.478 0.673 0.952 0.667 CB 1.520 22 residues pruned to eliminate duplicates Z: 16 26.424 2.231 0.531 0.791 0.933 0.533 CB 1.657 16 residues pruned to eliminate duplicates Z: 17 21.170 2.076 0.513 0.890 1.000 0.875 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 3.872 1.406 0.080 0.662 1.000 0.600 O 0.981 Z: 16 36.769 2.092 0.910 0.896 1.000 0.933 CB 1.702 16 residues pruned to eliminate duplicates Z: 8 12.821 1.826 0.425 0.885 1.000 0.429 CB 1.345 8 residues pruned to eliminate duplicates Z: 24 39.834 2.271 1.189 0.549 0.913 0.696 CA 1.745 24 residues pruned to eliminate duplicates Z: 8 4.653 1.838 -0.082 0.561 0.857 0.429 N 1.145 Z: 44 33.290 2.157 0.866 0.449 0.953 0.698 CB 1.393 44 residues pruned to eliminate duplicates Z: 15 16.325 2.160 0.531 0.772 0.786 0.429 CB 1.320 15 residues pruned to eliminate duplicates Z: 53 33.537 2.093 0.658 0.577 0.962 0.673 CB 1.294 54 residues pruned to eliminate duplicates Z: 79 51.659 2.212 0.747 0.594 0.936 0.641 CB 1.478 78 residues pruned to eliminate duplicates Z: 11 7.471 1.620 0.137 0.785 0.900 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 24 19.169 2.050 0.629 0.415 0.913 0.696 CB 1.433 24 residues pruned to eliminate duplicates Z: 74 53.996 2.333 0.884 0.495 0.904 0.521 CB 1.599 74 residues pruned to eliminate duplicates Z: 14 27.003 2.289 0.275 0.925 1.000 0.923 CA 1.801 14 residues pruned to eliminate duplicates Z: 14 13.552 2.158 0.397 0.399 0.846 0.615 CB 1.640 14 residues pruned to eliminate duplicates Z: 40 25.079 1.991 0.789 0.493 0.821 0.615 CB 1.384 40 residues pruned to eliminate duplicates Z: 11 13.431 1.749 0.511 0.918 1.000 0.900 CB 1.134 11 residues pruned to eliminate duplicates Z: 22 14.041 1.613 0.515 0.643 0.952 0.714 CB 1.152 20 residues pruned to eliminate duplicates Z: 42 29.999 2.000 0.776 0.545 0.878 0.634 CB 1.438 42 residues pruned to eliminate duplicates Z: 13 21.753 2.255 0.831 0.420 0.917 0.500 CB 1.805 13 residues pruned to eliminate duplicates Z: 9 9.133 1.707 0.863 0.568 0.875 0.625 N 1.087 Z: 53 35.962 2.127 0.640 0.578 0.981 0.750 CB 1.352 53 residues pruned to eliminate duplicates Z: 15 34.082 2.333 0.695 0.920 1.000 1.000 CB 1.622 15 residues pruned to eliminate duplicates Z: 9 3.707 1.459 0.301 0.219 0.875 0.500 CB 1.098 Z: 13 17.735 1.991 0.465 0.684 1.000 0.667 CB 1.483 13 residues pruned to eliminate duplicates Z: 6 3.773 1.572 0.495 0.248 0.800 0.200 CB 1.200 Z: 9 5.313 1.739 -0.011 0.565 0.875 0.875 CB 1.172 7 residues pruned to eliminate duplicates Z: 15 32.175 2.313 0.816 0.830 0.929 0.643 CB 1.657 15 residues pruned to eliminate duplicates Z: 14 10.932 2.023 0.739 0.394 0.923 0.538 CB 1.044 14 residues pruned to eliminate duplicates Z: 20 28.485 2.201 1.145 0.560 0.842 0.579 CB 1.551 20 residues pruned to eliminate duplicates Z: 15 18.102 2.009 0.830 0.507 0.929 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 10 5.505 1.698 0.143 0.504 0.889 0.667 CB 1.060 9 residues pruned to eliminate duplicates Z: 12 8.557 1.679 0.298 0.507 1.000 0.545 CB 1.175 13 residues pruned to eliminate duplicates Z: 28 19.038 1.805 0.385 0.671 0.963 0.741 CB 1.300 28 residues pruned to eliminate duplicates Z: 11 12.062 1.811 0.230 0.868 0.900 0.800 CB 1.391 11 residues pruned to eliminate duplicates Z: 24 50.701 2.463 1.199 0.501 1.000 0.652 CB 1.949 24 residues pruned to eliminate duplicates Z: 12 8.898 1.646 0.312 0.775 0.909 0.818 CB 1.072 12 residues pruned to eliminate duplicates Z: 34 35.193 2.140 0.981 0.521 0.909 0.515 CB 1.557 47 residues pruned to eliminate duplicates Z: 11 14.658 1.774 0.630 0.906 1.000 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 23 40.523 2.319 0.960 0.624 0.955 0.545 CB 1.771 23 residues pruned to eliminate duplicates Z: 11 13.889 1.762 0.544 0.919 1.000 0.600 CB 1.138 11 residues pruned to eliminate duplicates Z: 28 47.024 2.308 1.066 0.579 1.000 0.704 CB 1.758 28 residues pruned to eliminate duplicates Z: 28 31.078 2.142 0.941 0.444 1.000 0.667 CB 1.524 28 residues pruned to eliminate duplicates Z: 46 36.378 2.246 0.746 0.457 0.889 0.511 CB 1.626 46 residues pruned to eliminate duplicates Z: 24 21.462 2.221 0.665 0.533 0.783 0.435 CB 1.497 24 residues pruned to eliminate duplicates Z: 9 7.720 1.556 0.418 0.915 0.875 0.875 CB 0.999 9 residues pruned to eliminate duplicates Z: 14 22.568 2.071 0.518 0.861 0.923 0.615 CB 1.584 14 residues pruned to eliminate duplicates Z: 12 12.375 1.733 0.203 0.838 1.000 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 18 11.657 1.806 0.344 0.522 1.000 0.706 CB 1.139 18 residues pruned to eliminate duplicates Z: 37 36.387 2.438 0.795 0.432 0.806 0.444 CB 1.846 37 residues pruned to eliminate duplicates Z: 23 37.108 2.372 0.935 0.585 0.909 0.455 CB 1.748 23 residues pruned to eliminate duplicates Z: 64 60.966 2.413 0.911 0.483 0.968 0.619 CB 1.749 64 residues pruned to eliminate duplicates Z: 12 6.207 1.439 0.273 0.684 0.818 0.364 CB 1.055 12 residues pruned to eliminate duplicates Z: 102 59.978 2.249 0.907 0.488 0.881 0.673 CB 1.599 116 residues pruned to eliminate duplicates Z: 11 13.497 1.775 0.400 0.841 0.900 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 7 7.083 1.587 0.475 0.642 1.000 0.667 CB 1.082 Z: 17 34.637 2.180 0.914 0.923 1.000 0.625 CB 1.459 16 residues pruned to eliminate duplicates Z: 39 22.078 2.040 0.449 0.523 0.895 0.579 CB 1.323 39 residues pruned to eliminate duplicates Z: 20 26.416 2.167 0.500 0.746 0.947 0.632 CB 1.579 20 residues pruned to eliminate duplicates Z: 7 8.715 2.098 0.871 0.329 0.833 0.667 CB 1.313 7 residues pruned to eliminate duplicates Z: 35 36.531 2.269 0.709 0.587 1.000 0.647 CB 1.486 35 residues pruned to eliminate duplicates Z: 9 9.781 1.620 0.556 0.909 1.000 0.875 CB 0.974 9 residues pruned to eliminate duplicates Z: 16 19.150 2.126 0.693 0.732 0.667 0.600 CA 1.672 16 residues pruned to eliminate duplicates Z: 16 33.807 2.232 0.741 0.918 1.000 1.000 CB 1.584 16 residues pruned to eliminate duplicates Z: 6 3.282 1.698 -0.269 0.704 1.000 0.800 CB 0.982 6 residues pruned to eliminate duplicates Z: 11 10.470 1.691 0.542 0.844 1.000 0.300 CB 0.944 11 residues pruned to eliminate duplicates Z: 71 56.086 2.296 0.966 0.509 0.929 0.629 CB 1.585 71 residues pruned to eliminate duplicates Z: 7 6.091 1.705 0.478 0.698 0.667 0.500 CB 1.235 7 residues pruned to eliminate duplicates 9 1.690 1.225 0.547 0.210 0.625 0.250 N 0.711 ? Z: 42 32.992 2.005 0.788 0.573 0.927 0.683 CB 1.446 42 residues pruned to eliminate duplicates Z: 28 54.761 2.481 1.305 0.693 0.926 0.704 CB 1.668 30 residues pruned to eliminate duplicates Z: 73 65.132 2.425 0.998 0.513 0.917 0.667 CB 1.706 73 residues pruned to eliminate duplicates Z: 9 8.875 1.587 0.528 0.903 1.000 0.750 CB 0.922 9 residues pruned to eliminate duplicates Z: 22 30.747 2.198 1.127 0.539 0.905 0.619 CB 1.526 22 residues pruned to eliminate duplicates Z: 47 36.816 2.252 0.870 0.423 0.891 0.522 CB 1.568 47 residues pruned to eliminate duplicates Z: 6 10.920 1.860 0.366 0.775 1.000 0.800 N 1.507 6 residues pruned to eliminate duplicates Z: 19 15.126 1.860 0.676 0.490 0.889 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 127 81.014 2.446 0.864 0.497 0.944 0.587 CB 1.682 20 residues pruned to eliminate duplicates Z: 8 4.658 1.743 0.103 0.238 1.000 0.714 CB 1.242 Z: 17 15.333 1.927 0.833 0.288 0.938 0.688 CB 1.468 17 residues pruned to eliminate duplicates Z: 52 38.409 2.120 0.757 0.600 0.961 0.686 CB 1.366 52 residues pruned to eliminate duplicates Z: 14 11.544 1.497 0.614 0.779 0.923 0.462 CB 1.122 14 residues pruned to eliminate duplicates Z: 6 2.443 1.779 -0.127 0.540 0.800 0.400 CB 0.846 6 residues pruned to eliminate duplicates Z: 24 37.517 2.280 1.089 0.587 0.913 0.348 CB 1.656 24 residues pruned to eliminate duplicates Z: 26 15.935 1.763 0.345 0.597 0.960 0.680 CB 1.276 26 residues pruned to eliminate duplicates Z: 15 14.984 1.979 0.682 0.457 0.929 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 22 36.311 2.173 1.138 0.588 0.952 0.619 CB 1.647 22 residues pruned to eliminate duplicates Z: 57 66.693 2.568 1.109 0.502 0.893 0.643 CB 1.840 57 residues pruned to eliminate duplicates Z: 7 9.581 2.208 0.735 0.275 0.833 0.333 CA 1.580 Z: 38 27.892 2.304 0.779 0.466 0.865 0.595 CB 1.339 38 residues pruned to eliminate duplicates Z: 10 10.121 1.662 0.552 0.857 1.000 0.778 CB 0.964 10 residues pruned to eliminate duplicates Z: 10 8.257 1.522 0.679 0.908 1.000 0.778 CB 0.765 10 residues pruned to eliminate duplicates Z: 10 13.807 1.934 0.845 0.510 0.889 0.444 CA 1.436 10 residues pruned to eliminate duplicates Z: 21 27.539 2.124 0.480 0.795 1.000 0.750 CB 1.512 21 residues pruned to eliminate duplicates Z: 70 53.504 2.324 0.942 0.518 0.913 0.725 CB 1.536 70 residues pruned to eliminate duplicates Z: 20 22.657 2.178 0.875 0.489 0.789 0.474 CB 1.630 20 residues pruned to eliminate duplicates Z: 43 25.345 1.943 0.655 0.553 0.857 0.643 CB 1.347 43 residues pruned to eliminate duplicates Z: 22 40.052 2.488 0.901 0.585 0.952 0.762 CB 1.789 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 19 20.281 2.123 0.244 0.748 0.944 0.444 CB 1.536 19 residues pruned to eliminate duplicates Z: 26 23.124 2.191 0.524 0.649 0.760 0.560 CB 1.586 26 residues pruned to eliminate duplicates Z: 17 23.982 2.214 0.451 0.741 0.938 0.562 CB 1.604 17 residues pruned to eliminate duplicates Z: 20 26.727 2.222 0.562 0.712 0.895 0.632 CB 1.629 20 residues pruned to eliminate duplicates Z: 25 17.351 1.957 0.556 0.457 0.833 0.417 CA 1.459 25 residues pruned to eliminate duplicates Z: 46 42.692 2.251 0.830 0.583 0.867 0.467 CB 1.645 46 residues pruned to eliminate duplicates Z: 59 29.204 1.919 0.486 0.609 0.897 0.586 CB 1.353 59 residues pruned to eliminate duplicates Z: 27 23.642 2.164 0.526 0.608 0.846 0.423 CB 1.497 27 residues pruned to eliminate duplicates Z: 21 23.751 2.191 0.510 0.618 0.900 0.500 CB 1.596 21 residues pruned to eliminate duplicates Z: 86 56.896 2.278 0.737 0.550 0.906 0.576 CB 1.640 86 residues pruned to eliminate duplicates Z: 20 30.377 2.253 0.467 0.752 1.000 0.632 CB 1.685 20 residues pruned to eliminate duplicates Z: 20 29.538 2.233 0.544 0.719 1.000 0.632 CB 1.612 20 residues pruned to eliminate duplicates Z: 46 48.994 2.271 0.959 0.606 0.911 0.622 CB 1.629 47 residues pruned to eliminate duplicates Z: 19 28.624 2.157 0.545 0.803 1.000 0.667 CB 1.553 18 residues pruned to eliminate duplicates Z: 18 27.324 2.045 0.773 0.758 0.941 0.706 CB 1.543 18 residues pruned to eliminate duplicates Z: 20 32.906 2.223 0.629 0.786 1.000 0.737 CB 1.621 21 residues pruned to eliminate duplicates Z: 19 24.782 2.169 0.343 0.735 1.000 0.778 CB 1.623 19 residues pruned to eliminate duplicates Z: 22 24.537 2.158 0.447 0.722 0.952 0.571 CB 1.474 22 residues pruned to eliminate duplicates Z: 6 11.244 1.944 1.091 0.369 1.000 0.400 CB 1.424 6 residues pruned to eliminate duplicates Z: 29 39.020 2.207 1.130 0.509 0.893 0.643 CB 1.741 29 residues pruned to eliminate duplicates Z: 28 47.483 2.298 1.189 0.517 0.963 0.741 CB 1.855 28 residues pruned to eliminate duplicates Z: 29 46.853 2.271 1.205 0.523 0.964 0.679 CB 1.792 29 residues pruned to eliminate duplicates Z: 29 45.686 2.243 1.089 0.542 1.000 0.679 CB 1.768 29 residues pruned to eliminate duplicates Z: 29 44.164 2.241 1.122 0.539 0.964 0.643 CB 1.752 29 residues pruned to eliminate duplicates Z: 27 40.355 2.313 1.033 0.555 0.885 0.538 CB 1.804 27 residues pruned to eliminate duplicates Z: 23 39.275 2.316 1.055 0.536 0.909 0.682 CB 1.869 23 residues pruned to eliminate duplicates Z: 30 45.128 2.239 1.179 0.547 0.966 0.655 CB 1.699 30 residues pruned to eliminate duplicates Z: 24 36.653 2.315 0.970 0.560 0.870 0.565 CB 1.817 24 residues pruned to eliminate duplicates Z: 22 34.913 2.324 0.869 0.524 0.952 0.619 CB 1.798 22 residues pruned to eliminate duplicates Z: 30 44.694 2.235 1.113 0.535 0.966 0.655 CB 1.759 30 residues pruned to eliminate duplicates Z: 30 37.947 2.222 1.076 0.522 0.862 0.655 CB 1.734 30 residues pruned to eliminate duplicates Z: 66 47.296 2.290 0.863 0.492 0.862 0.554 CB 1.609 66 residues pruned to eliminate duplicates Z: 29 42.499 2.266 1.139 0.552 0.893 0.607 CB 1.765 29 residues pruned to eliminate duplicates Z: 29 44.550 2.249 1.104 0.545 0.964 0.714 CB 1.765 29 residues pruned to eliminate duplicates Z: 23 41.677 2.303 1.216 0.533 0.909 0.591 CB 1.854 23 residues pruned to eliminate duplicates Z: 28 49.762 2.300 1.256 0.564 0.963 0.667 CB 1.801 28 residues pruned to eliminate duplicates Z: 60 51.813 2.260 0.993 0.522 0.898 0.695 CB 1.631 60 residues pruned to eliminate duplicates Z: 28 49.853 2.311 1.361 0.559 0.926 0.741 CB 1.793 28 residues pruned to eliminate duplicates Z: 27 48.025 2.334 1.321 0.561 0.923 0.654 CB 1.776 27 residues pruned to eliminate duplicates Z: 79 54.969 2.265 0.937 0.468 0.923 0.590 CB 1.589 79 residues pruned to eliminate duplicates Z: 70 62.118 2.317 0.991 0.519 0.971 0.638 CB 1.638 70 residues pruned to eliminate duplicates Z: 71 45.883 2.278 0.836 0.455 0.914 0.514 CB 1.502 71 residues pruned to eliminate duplicates Z: 99 69.202 2.349 0.977 0.500 0.908 0.633 CB 1.658 99 residues pruned to eliminate duplicates Z: 78 54.428 2.257 0.929 0.482 0.922 0.571 CB 1.574 78 residues pruned to eliminate duplicates Z: 72 59.775 2.281 0.968 0.512 0.958 0.634 CB 1.630 72 residues pruned to eliminate duplicates Z: 66 42.559 2.236 0.785 0.439 0.938 0.585 CB 1.501 66 residues pruned to eliminate duplicates Z: 75 48.756 2.269 0.820 0.476 0.892 0.568 CB 1.577 75 residues pruned to eliminate duplicates Z: 56 53.119 2.344 0.933 0.491 0.945 0.582 CB 1.688 56 residues pruned to eliminate duplicates Z: 118 65.346 2.292 0.841 0.512 0.872 0.615 CB 1.623 118 residues pruned to eliminate duplicates Z: 45 34.868 2.226 0.741 0.494 0.909 0.568 CB 1.501 45 residues pruned to eliminate duplicates Z: 48 33.414 2.232 0.733 0.473 0.872 0.638 CB 1.484 48 residues pruned to eliminate duplicates Z: 83 53.351 2.240 0.909 0.448 0.902 0.573 CB 1.610 83 residues pruned to eliminate duplicates Z: 94 59.898 2.302 0.805 0.497 0.925 0.624 CB 1.622 94 residues pruned to eliminate duplicates Z: 52 36.681 2.240 0.734 0.437 0.941 0.529 CB 1.499 52 residues pruned to eliminate duplicates Z: 78 53.372 2.274 0.951 0.463 0.909 0.519 CB 1.565 78 residues pruned to eliminate duplicates Z: 42 33.851 2.143 0.909 0.453 0.902 0.585 CB 1.503 42 residues pruned to eliminate duplicates Z: 16 25.826 2.346 0.793 0.593 1.000 0.733 CB 1.451 16 residues pruned to eliminate duplicates Z: 96 59.008 2.287 0.916 0.506 0.884 0.589 CB 1.554 96 residues pruned to eliminate duplicates Z: 50 27.839 2.209 0.584 0.456 0.857 0.571 CB 1.388 50 residues pruned to eliminate duplicates Z: 73 57.321 2.273 0.970 0.505 0.944 0.583 CB 1.590 73 residues pruned to eliminate duplicates Z: 50 34.014 2.270 0.665 0.458 0.878 0.571 CB 1.530 50 residues pruned to eliminate duplicates Z: 34 27.853 2.234 0.610 0.434 0.939 0.606 CB 1.537 34 residues pruned to eliminate duplicates Z: 96 58.743 2.312 0.790 0.504 0.916 0.589 CB 1.585 96 residues pruned to eliminate duplicates Z: 76 48.260 2.322 0.777 0.482 0.893 0.547 CB 1.540 76 residues pruned to eliminate duplicates Z: 100 59.225 2.300 0.884 0.501 0.879 0.576 CB 1.562 100 residues pruned to eliminate duplicates Z: 77 54.052 2.265 0.929 0.473 0.934 0.579 CB 1.561 77 residues pruned to eliminate duplicates Z: 77 54.276 2.289 0.927 0.470 0.908 0.605 CB 1.603 77 residues pruned to eliminate duplicates Z: 34 26.389 2.250 0.660 0.435 0.879 0.424 CB 1.497 34 residues pruned to eliminate duplicates Z: 35 24.919 2.216 0.721 0.417 0.824 0.500 CB 1.483 35 residues pruned to eliminate duplicates Z: 71 48.290 2.264 0.870 0.453 0.914 0.557 CB 1.565 71 residues pruned to eliminate duplicates Z: 46 39.075 2.289 0.795 0.489 0.911 0.511 CB 1.574 46 residues pruned to eliminate duplicates Z: 37 19.806 2.154 0.441 0.426 0.861 0.583 CB 1.333 37 residues pruned to eliminate duplicates Z: 22 16.967 2.210 0.632 0.319 0.810 0.476 CB 1.549 22 residues pruned to eliminate duplicates Z: 44 36.730 2.279 0.919 0.484 0.907 0.581 CB 1.435 44 residues pruned to eliminate duplicates Z: 76 54.820 2.281 0.939 0.497 0.907 0.627 CB 1.583 76 residues pruned to eliminate duplicates Z: 46 35.009 2.315 0.770 0.449 0.867 0.533 CB 1.549 46 residues pruned to eliminate duplicates Z: 23 13.418 1.899 0.655 0.341 0.773 0.455 CB 1.400 23 residues pruned to eliminate duplicates Z: 23 11.306 1.846 0.476 0.351 0.909 0.455 CB 1.145 23 residues pruned to eliminate duplicates Z: 35 23.735 2.216 0.521 0.416 0.912 0.559 CB 1.446 35 residues pruned to eliminate duplicates Z: 16 20.640 2.147 0.635 0.471 1.000 0.800 CB 1.564 16 residues pruned to eliminate duplicates Z: 20 15.597 2.016 0.723 0.385 0.842 0.632 CB 1.382 20 residues pruned to eliminate duplicates Z: 60 40.766 2.253 0.878 0.430 0.915 0.559 CB 1.473 60 residues pruned to eliminate duplicates Z: 20 17.821 2.062 0.702 0.409 0.842 0.632 CB 1.521 20 residues pruned to eliminate duplicates Z: 84 44.670 2.230 0.819 0.445 0.916 0.602 CB 1.396 84 residues pruned to eliminate duplicates Z: 20 13.380 1.961 0.645 0.435 0.895 0.526 CB 1.138 20 residues pruned to eliminate duplicates Z: 106 66.442 2.269 1.010 0.496 0.924 0.571 CB 1.545 106 residues pruned to eliminate duplicates Z: 98 65.486 2.330 0.932 0.511 0.918 0.629 CB 1.593 98 residues pruned to eliminate duplicates Z: 9 6.872 2.042 0.907 0.138 0.750 0.375 CB 1.304 9 residues pruned to eliminate duplicates Z: 43 32.012 2.290 0.913 0.388 0.786 0.524 CB 1.615 43 residues pruned to eliminate duplicates Z: 30 36.921 2.396 1.096 0.503 0.862 0.517 CB 1.579 30 residues pruned to eliminate duplicates Z: 25 39.361 2.435 1.002 0.577 0.875 0.500 CB 1.748 25 residues pruned to eliminate duplicates Z: 49 41.087 2.280 0.979 0.480 0.875 0.583 CB 1.533 49 residues pruned to eliminate duplicates Z: 40 34.322 2.241 0.997 0.488 0.846 0.538 CB 1.469 40 residues pruned to eliminate duplicates Z: 28 40.762 2.370 1.090 0.562 0.926 0.444 CB 1.611 28 residues pruned to eliminate duplicates Z: 28 38.665 2.335 1.015 0.543 0.889 0.519 CB 1.705 28 residues pruned to eliminate duplicates Z: 30 40.106 2.404 1.066 0.523 0.862 0.724 CB 1.700 30 residues pruned to eliminate duplicates Z: 45 32.463 2.116 0.765 0.563 0.932 0.568 CB 1.324 45 residues pruned to eliminate duplicates Z: 94 63.489 2.263 0.966 0.528 0.925 0.613 CB 1.557 94 residues pruned to eliminate duplicates Z: 28 35.748 2.359 0.952 0.580 0.852 0.519 CB 1.623 28 residues pruned to eliminate duplicates Z: 39 37.940 2.219 1.120 0.467 0.868 0.526 CB 1.557 39 residues pruned to eliminate duplicates Z: 63 54.169 2.343 0.988 0.530 0.903 0.677 CB 1.588 63 residues pruned to eliminate duplicates Z: 83 64.923 2.379 1.000 0.531 0.890 0.671 CB 1.642 83 residues pruned to eliminate duplicates Z: 26 40.515 2.383 1.012 0.639 0.880 0.520 CB 1.686 26 residues pruned to eliminate duplicates Z: 30 36.037 2.394 1.028 0.499 0.862 0.655 CB 1.601 30 residues pruned to eliminate duplicates Z: 34 32.423 2.274 0.927 0.476 0.879 0.515 CB 1.502 34 residues pruned to eliminate duplicates Z: 27 37.498 2.435 1.058 0.582 0.846 0.538 CB 1.602 27 residues pruned to eliminate duplicates Z: 44 38.879 2.259 1.012 0.495 0.884 0.628 CB 1.484 44 residues pruned to eliminate duplicates Z: 27 37.159 2.334 1.064 0.566 0.846 0.385 CB 1.677 27 residues pruned to eliminate duplicates Z: 26 45.705 2.450 1.121 0.580 0.920 0.560 CB 1.770 26 residues pruned to eliminate duplicates Z: 33 42.986 2.362 1.017 0.502 0.938 0.750 CB 1.697 33 residues pruned to eliminate duplicates Z: 38 33.999 2.288 0.917 0.429 0.838 0.541 CB 1.637 38 residues pruned to eliminate duplicates Z: 27 39.346 2.411 0.965 0.589 0.923 0.577 CB 1.621 27 residues pruned to eliminate duplicates Z: 15 5.302 1.711 0.524 0.233 0.714 0.286 CB 1.038 15 residues pruned to eliminate duplicates Z: 53 30.413 2.119 0.494 0.560 0.942 0.635 CB 1.333 53 residues pruned to eliminate duplicates Z: 45 26.726 2.117 0.635 0.531 0.886 0.636 CB 1.274 45 residues pruned to eliminate duplicates Z: 34 38.343 2.282 0.794 0.630 1.000 0.758 CB 1.442 34 residues pruned to eliminate duplicates Z: 51 32.471 2.125 0.643 0.587 0.940 0.640 CB 1.287 51 residues pruned to eliminate duplicates Z: 57 32.005 2.069 0.587 0.560 0.946 0.625 CB 1.299 57 residues pruned to eliminate duplicates Z: 37 35.297 2.218 0.829 0.598 0.944 0.694 CB 1.399 37 residues pruned to eliminate duplicates Z: 51 33.793 2.116 0.774 0.536 0.960 0.600 CB 1.280 51 residues pruned to eliminate duplicates Z: 7 10.354 1.889 0.767 0.603 1.000 0.667 CB 1.148 7 residues pruned to eliminate duplicates Z: 34 42.414 2.256 1.057 0.638 0.970 0.606 CB 1.442 34 residues pruned to eliminate duplicates Z: 52 40.124 2.107 0.794 0.600 0.980 0.667 CB 1.379 52 residues pruned to eliminate duplicates Z: 34 42.567 2.261 1.004 0.655 0.970 0.636 CB 1.461 34 residues pruned to eliminate duplicates Z: 13 8.753 1.614 0.575 0.490 0.917 0.750 CB 1.095 Z: 6 2.226 1.395 0.359 0.289 0.800 0.800 CB 0.831 6 residues pruned to eliminate duplicates Z: 43 37.697 2.032 0.950 0.544 0.952 0.690 CB 1.477 43 residues pruned to eliminate duplicates Z: 6 7.882 1.513 0.788 0.666 1.000 1.000 CB 1.118 6 residues pruned to eliminate duplicates Z: 90 62.358 2.451 0.820 0.457 0.865 0.584 CB 1.790 90 residues pruned to eliminate duplicates Z: 12 9.625 1.948 0.345 0.416 0.818 0.364 CB 1.479 15 residues pruned to eliminate duplicates Z: 7 6.926 1.802 0.327 0.381 1.000 0.500 CA 1.343 7 residues pruned to eliminate duplicates Z: 11 14.201 2.060 0.377 0.522 1.000 0.700 CB 1.549 11 residues pruned to eliminate duplicates Z: 6 7.038 1.536 0.931 0.577 0.800 0.800 CB 1.231 Z: 7 6.626 1.614 0.620 0.417 1.000 0.667 CA 1.128 13 residues pruned to eliminate duplicates Z: 93 66.482 2.436 0.806 0.463 0.935 0.543 CB 1.750 93 residues pruned to eliminate duplicates Z: 50 37.252 2.246 0.736 0.459 0.918 0.612 CB 1.549 47 residues pruned to eliminate duplicates Z: 7 10.988 1.915 0.718 0.430 1.000 0.833 CB 1.467 Z: 6 4.138 1.589 0.596 0.217 1.000 0.200 CA 1.017 6 residues pruned to eliminate duplicates Z: 85 69.461 2.466 0.863 0.497 0.917 0.571 CB 1.805 92 residues pruned to eliminate duplicates Z: 112 81.982 2.467 0.935 0.493 0.937 0.640 CB 1.751 117 residues pruned to eliminate duplicates Z: 8 10.568 1.905 0.363 0.733 1.000 0.429 CB 1.248 8 residues pruned to eliminate duplicates Z: 72 60.169 2.564 0.820 0.477 0.831 0.577 CB 1.885 72 residues pruned to eliminate duplicates Z: 74 65.378 2.452 0.887 0.506 0.932 0.603 CB 1.765 72 residues pruned to eliminate duplicates Z: 10 19.725 2.063 0.908 0.452 1.000 0.333 C 1.754 10 residues pruned to eliminate duplicates Z: 44 41.578 2.320 0.875 0.477 0.884 0.558 CB 1.688 44 residues pruned to eliminate duplicates Z: 103 74.041 2.430 0.924 0.503 0.902 0.598 CB 1.733 103 residues pruned to eliminate duplicates Z: 48 41.629 2.318 0.820 0.483 0.894 0.660 CB 1.639 48 residues pruned to eliminate duplicates Z: 15 29.569 2.295 0.801 0.776 0.929 0.429 CA 1.615 15 residues pruned to eliminate duplicates Z: 80 65.628 2.450 0.998 0.462 0.911 0.544 CB 1.721 81 residues pruned to eliminate duplicates Z: 12 42.158 2.491 1.057 0.921 1.000 0.727 CB 1.746 12 residues pruned to eliminate duplicates Z: 94 77.888 2.551 1.016 0.495 0.871 0.624 CB 1.812 94 residues pruned to eliminate duplicates Z: 117 74.486 2.434 0.883 0.496 0.897 0.543 CB 1.689 117 residues pruned to eliminate duplicates Z: 112 77.152 2.470 0.884 0.487 0.919 0.568 CB 1.735 112 residues pruned to eliminate duplicates Z: 91 75.569 2.552 0.902 0.510 0.889 0.589 CB 1.829 90 residues pruned to eliminate duplicates Z: 12 37.327 2.447 0.809 0.935 1.000 0.909 CB 1.771 12 residues pruned to eliminate duplicates Z: 28 38.939 2.415 1.025 0.429 0.926 0.444 CB 1.782 28 residues pruned to eliminate duplicates Z: 48 41.254 2.304 0.775 0.465 0.936 0.574 CB 1.630 48 residues pruned to eliminate duplicates Z: 96 76.465 2.499 0.981 0.500 0.905 0.547 CB 1.751 96 residues pruned to eliminate duplicates Z: 86 72.430 2.447 1.001 0.498 0.929 0.635 CB 1.729 86 residues pruned to eliminate duplicates Z: 113 77.281 2.459 0.967 0.493 0.893 0.607 CB 1.704 113 residues pruned to eliminate duplicates Z: 51 55.939 2.543 1.046 0.463 0.900 0.600 CB 1.755 51 residues pruned to eliminate duplicates Z: 33 41.170 2.478 0.782 0.545 0.906 0.688 CB 1.740 33 residues pruned to eliminate duplicates Z: 44 55.170 2.539 0.914 0.509 0.930 0.605 CB 1.845 44 residues pruned to eliminate duplicates Z: 71 68.176 2.541 0.968 0.492 0.929 0.614 CB 1.768 71 residues pruned to eliminate duplicates Z: 53 49.409 2.524 0.935 0.445 0.865 0.538 CB 1.715 53 residues pruned to eliminate duplicates Z: 39 63.225 2.632 1.031 0.527 0.921 0.579 CB 2.028 39 residues pruned to eliminate duplicates Z: 53 55.350 2.549 0.919 0.477 0.923 0.558 CB 1.740 53 residues pruned to eliminate duplicates Z: 51 53.152 2.521 0.966 0.470 0.900 0.620 CB 1.738 51 residues pruned to eliminate duplicates Z: 71 69.070 2.556 1.050 0.498 0.900 0.586 CB 1.754 71 residues pruned to eliminate duplicates Z: 71 61.301 2.425 0.937 0.523 0.914 0.600 CB 1.668 71 residues pruned to eliminate duplicates Z: 73 69.710 2.573 0.900 0.520 0.903 0.639 CB 1.826 73 residues pruned to eliminate duplicates Z: 50 46.719 2.550 0.816 0.458 0.837 0.510 CB 1.799 50 residues pruned to eliminate duplicates Z: 46 50.556 2.578 0.893 0.462 0.867 0.556 CB 1.851 46 residues pruned to eliminate duplicates Z: 114 80.670 2.466 0.882 0.504 0.938 0.637 CB 1.737 114 residues pruned to eliminate duplicates Z: 47 50.224 2.465 0.950 0.458 0.870 0.543 CB 1.849 47 residues pruned to eliminate duplicates Z: 44 66.457 2.613 1.194 0.469 0.930 0.628 CB 1.962 44 residues pruned to eliminate duplicates Z: 91 62.930 2.369 0.884 0.471 0.900 0.578 CB 1.701 91 residues pruned to eliminate duplicates Z: 50 53.583 2.557 1.035 0.463 0.857 0.612 CB 1.782 50 residues pruned to eliminate duplicates Z: 35 41.938 2.462 0.934 0.450 0.853 0.588 CB 1.865 35 residues pruned to eliminate duplicates Z: 72 61.791 2.528 0.922 0.485 0.873 0.606 CB 1.755 72 residues pruned to eliminate duplicates Z: 10 36.404 2.652 0.829 0.897 0.889 0.556 CA 2.015 Z: 13 38.005 2.316 0.855 0.831 1.000 0.583 CA 1.918 23 residues pruned to eliminate duplicates Z: 113 75.930 2.470 0.937 0.501 0.875 0.643 CB 1.712 113 residues pruned to eliminate duplicates Z: 36 44.387 2.510 1.059 0.408 0.857 0.486 CB 1.864 36 residues pruned to eliminate duplicates Z: 51 55.748 2.486 0.977 0.474 0.920 0.600 CB 1.791 51 residues pruned to eliminate duplicates Z: 91 67.576 2.456 0.930 0.467 0.889 0.611 CB 1.750 91 residues pruned to eliminate duplicates Z: 45 55.071 2.550 0.919 0.527 0.909 0.682 CB 1.817 45 residues pruned to eliminate duplicates Z: 91 70.853 2.488 0.961 0.466 0.900 0.644 CB 1.761 91 residues pruned to eliminate duplicates Z: 6 6.011 2.082 0.335 0.602 0.800 0.400 CA 1.097 Z: 6 7.555 2.355 0.484 0.234 1.000 0.200 CA 1.318 12 residues pruned to eliminate duplicates Z: 36 33.840 2.457 0.689 0.429 0.857 0.543 CB 1.732 36 residues pruned to eliminate duplicates Z: 74 61.983 2.526 0.838 0.501 0.904 0.603 CB 1.726 74 residues pruned to eliminate duplicates Z: 36 35.482 2.531 0.774 0.424 0.829 0.571 CB 1.746 36 residues pruned to eliminate duplicates Z: 131 75.972 2.365 0.894 0.499 0.900 0.608 CB 1.654 90 residues pruned to eliminate duplicates Z: 8 28.684 2.252 0.830 0.862 1.000 0.714 CB 1.932 8 residues pruned to eliminate duplicates Z: 52 59.125 2.539 1.055 0.482 0.922 0.706 CB 1.754 52 residues pruned to eliminate duplicates Z: 79 70.880 2.541 1.075 0.498 0.846 0.654 CB 1.803 79 residues pruned to eliminate duplicates Z: 37 35.767 2.492 0.828 0.371 0.833 0.528 CB 1.802 37 residues pruned to eliminate duplicates Z: 36 35.503 2.556 0.784 0.422 0.771 0.514 CB 1.850 36 residues pruned to eliminate duplicates Z: 50 62.236 2.556 1.118 0.482 0.959 0.571 CB 1.743 50 residues pruned to eliminate duplicates Z: 57 52.766 2.418 0.977 0.453 0.875 0.589 CB 1.768 57 residues pruned to eliminate duplicates Z: 32 28.884 2.405 0.725 0.422 0.839 0.484 CB 1.618 32 residues pruned to eliminate duplicates Z: 52 53.799 2.501 1.005 0.463 0.902 0.627 CB 1.729 52 residues pruned to eliminate duplicates Z: 66 65.521 2.506 1.086 0.485 0.892 0.600 CB 1.769 66 residues pruned to eliminate duplicates Z: 67 69.829 2.556 1.061 0.504 0.909 0.636 CB 1.788 67 residues pruned to eliminate duplicates Z: 22 38.655 2.480 0.965 0.642 0.905 0.619 CB 1.675 23 residues pruned to eliminate duplicates Z: 11 47.266 2.611 1.016 0.897 1.000 0.600 CB 2.033 11 residues pruned to eliminate duplicates Z: 69 74.634 2.571 1.077 0.516 0.926 0.662 CB 1.800 69 residues pruned to eliminate duplicates Z: 26 42.320 2.482 0.839 0.627 0.920 0.640 CB 1.788 26 residues pruned to eliminate duplicates Z: 64 64.559 2.456 0.957 0.554 0.921 0.571 CB 1.745 64 residues pruned to eliminate duplicates Z: 26 37.399 2.460 0.992 0.577 0.880 0.680 CB 1.611 26 residues pruned to eliminate duplicates Z: 26 38.368 2.438 0.860 0.624 0.880 0.640 CB 1.709 26 residues pruned to eliminate duplicates Z: 27 41.522 2.434 1.059 0.568 0.885 0.577 CB 1.720 27 residues pruned to eliminate duplicates Z: 29 32.320 2.316 0.877 0.543 0.857 0.643 CB 1.571 29 residues pruned to eliminate duplicates Z: 25 39.524 2.452 0.901 0.638 0.917 0.708 CB 1.659 25 residues pruned to eliminate duplicates Z: 31 32.524 2.305 0.709 0.557 0.833 0.633 CB 1.711 31 residues pruned to eliminate duplicates Z: 25 43.213 2.509 0.936 0.658 0.917 0.625 CB 1.711 25 residues pruned to eliminate duplicates Z: 110 84.854 2.443 1.000 0.525 0.945 0.688 CB 1.717 110 residues pruned to eliminate duplicates Z: 34 37.229 2.384 0.897 0.512 0.879 0.697 CB 1.612 33 residues pruned to eliminate duplicates Z: 6 8.783 1.798 0.626 0.454 1.000 0.600 C 1.408 6 residues pruned to eliminate duplicates Z: 30 34.410 2.355 0.784 0.566 0.897 0.517 CB 1.592 30 residues pruned to eliminate duplicates Z: 27 37.301 2.415 0.967 0.569 0.846 0.692 CB 1.702 27 residues pruned to eliminate duplicates Z: 26 38.804 2.458 0.896 0.605 0.840 0.720 CB 1.795 26 residues pruned to eliminate duplicates Z: 48 44.078 2.366 0.844 0.547 0.894 0.702 CB 1.576 48 residues pruned to eliminate duplicates Z: 68 71.496 2.560 1.066 0.522 0.896 0.642 CB 1.804 68 residues pruned to eliminate duplicates Z: 26 38.373 2.500 0.797 0.600 0.920 0.680 CB 1.689 26 residues pruned to eliminate duplicates Z: 36 34.642 2.428 0.823 0.445 0.886 0.657 CB 1.581 35 residues pruned to eliminate duplicates Z: 15 23.366 2.163 0.706 0.721 0.857 0.786 CB 1.617 15 residues pruned to eliminate duplicates Z: 16 27.137 2.383 0.594 0.682 0.867 0.800 CB 1.801 16 residues pruned to eliminate duplicates Z: 60 41.521 2.110 0.678 0.619 0.915 0.729 CB 1.491 60 residues pruned to eliminate duplicates Z: 18 30.596 2.302 0.625 0.732 1.000 0.647 CB 1.610 18 residues pruned to eliminate duplicates Z: 51 44.670 2.249 0.692 0.570 0.960 0.540 CB 1.617 51 residues pruned to eliminate duplicates Z: 18 27.390 2.328 0.685 0.693 0.882 0.706 CB 1.609 18 residues pruned to eliminate duplicates Z: 93 70.844 2.476 0.863 0.518 0.902 0.565 CB 1.742 93 residues pruned to eliminate duplicates Z: 33 31.497 2.317 0.647 0.483 0.875 0.500 CB 1.696 33 residues pruned to eliminate duplicates Z: 19 22.131 2.226 0.546 0.636 0.889 0.556 CB 1.500 19 residues pruned to eliminate duplicates Z: 18 29.464 2.301 0.570 0.728 1.000 0.588 CB 1.611 18 residues pruned to eliminate duplicates Z: 21 25.751 2.188 0.601 0.646 0.950 0.550 CB 1.510 21 residues pruned to eliminate duplicates Z: 18 28.619 2.284 0.535 0.757 1.000 0.765 CB 1.575 18 residues pruned to eliminate duplicates Z: 21 21.923 2.113 0.569 0.704 0.900 0.650 CB 1.364 21 residues pruned to eliminate duplicates Z: 19 24.020 2.196 0.527 0.729 0.944 0.778 CB 1.456 19 residues pruned to eliminate duplicates Z: 19 21.854 2.156 0.524 0.747 0.944 0.667 CB 1.331 19 residues pruned to eliminate duplicates Z: 25 28.195 2.316 0.618 0.596 0.917 0.542 CB 1.529 25 residues pruned to eliminate duplicates Z: 59 39.909 2.123 0.639 0.604 0.897 0.638 CB 1.521 59 residues pruned to eliminate duplicates Z: 61 40.198 2.092 0.702 0.600 0.900 0.667 CB 1.473 61 residues pruned to eliminate duplicates Z: 41 34.109 2.037 0.833 0.577 0.900 0.675 CB 1.490 41 residues pruned to eliminate duplicates Z: 40 30.324 2.065 0.689 0.559 0.872 0.615 CB 1.508 40 residues pruned to eliminate duplicates Z: 25 32.557 2.307 0.712 0.670 0.917 0.667 CB 1.568 25 residues pruned to eliminate duplicates Z: 41 31.205 2.049 0.727 0.571 0.875 0.650 CB 1.487 41 residues pruned to eliminate duplicates Z: 41 31.273 2.046 0.709 0.571 0.900 0.650 CB 1.467 41 residues pruned to eliminate duplicates Z: 42 27.893 2.003 0.667 0.526 0.878 0.683 CB 1.449 42 residues pruned to eliminate duplicates Z: 30 25.413 2.179 0.810 0.539 0.862 0.517 CB 1.335 30 residues pruned to eliminate duplicates Z: 41 28.826 2.019 0.607 0.552 0.900 0.675 CB 1.484 41 residues pruned to eliminate duplicates Z: 42 28.156 1.995 0.724 0.522 0.878 0.610 CB 1.425 42 residues pruned to eliminate duplicates Z: 41 31.507 2.042 0.711 0.554 0.900 0.675 CB 1.503 41 residues pruned to eliminate duplicates Z: 41 30.290 2.042 0.714 0.554 0.875 0.675 CB 1.484 41 residues pruned to eliminate duplicates Z: 32 29.878 1.938 0.780 0.641 0.935 0.710 CB 1.457 32 residues pruned to eliminate duplicates Z: 33 28.335 1.923 0.747 0.618 0.938 0.656 CB 1.423 33 residues pruned to eliminate duplicates Z: 34 26.256 1.986 0.670 0.580 0.909 0.697 CB 1.404 34 residues pruned to eliminate duplicates Z: 32 29.466 1.909 0.736 0.637 0.935 0.645 CB 1.501 32 residues pruned to eliminate duplicates Z: 43 26.382 1.954 0.713 0.531 0.881 0.643 CB 1.339 43 residues pruned to eliminate duplicates Z: 22 24.444 2.045 0.632 0.556 0.905 0.619 CB 1.672 22 residues pruned to eliminate duplicates Z: 28 22.069 1.948 0.465 0.614 0.926 0.667 CB 1.443 28 residues pruned to eliminate duplicates Z: 61 34.344 2.054 0.556 0.577 0.917 0.683 CB 1.405 61 residues pruned to eliminate duplicates Z: 58 35.160 2.066 0.703 0.561 0.895 0.561 CB 1.394 58 residues pruned to eliminate duplicates Z: 24 21.507 1.964 0.490 0.547 0.957 0.652 CB 1.530 24 residues pruned to eliminate duplicates Z: 41 31.158 2.050 0.706 0.568 0.900 0.700 CB 1.465 41 residues pruned to eliminate duplicates Z: 61 36.747 2.040 0.652 0.598 0.933 0.650 CB 1.374 61 residues pruned to eliminate duplicates Z: 32 31.207 1.922 0.803 0.668 0.968 0.903 CB 1.431 32 residues pruned to eliminate duplicates Z: 40 31.988 2.073 0.730 0.573 0.897 0.641 CB 1.482 40 residues pruned to eliminate duplicates Z: 40 33.232 2.071 0.759 0.586 0.923 0.769 CB 1.458 40 residues pruned to eliminate duplicates Z: 40 33.254 2.069 0.784 0.587 0.897 0.744 CB 1.478 40 residues pruned to eliminate duplicates Z: 31 28.817 1.948 0.741 0.658 0.933 0.667 CB 1.436 31 residues pruned to eliminate duplicates Z: 30 32.007 1.998 0.790 0.692 0.931 0.759 CB 1.497 30 residues pruned to eliminate duplicates Z: 33 29.794 1.960 0.742 0.642 0.938 0.719 CB 1.441 33 residues pruned to eliminate duplicates Z: 42 26.244 1.954 0.711 0.570 0.829 0.634 CB 1.381 42 residues pruned to eliminate duplicates Z: 43 29.687 2.007 0.798 0.543 0.881 0.714 CB 1.382 43 residues pruned to eliminate duplicates Z: 31 34.203 1.978 0.850 0.681 0.967 0.733 CB 1.495 31 residues pruned to eliminate duplicates Z: 31 32.968 1.949 0.864 0.674 0.967 0.700 CB 1.459 31 residues pruned to eliminate duplicates Z: 19 21.733 1.747 0.935 0.582 0.944 0.611 CB 1.484 19 residues pruned to eliminate duplicates Z: 32 30.025 1.948 0.705 0.660 0.968 0.613 CB 1.446 32 residues pruned to eliminate duplicates Z: 55 27.664 1.895 0.550 0.591 0.907 0.667 CB 1.295 55 residues pruned to eliminate duplicates Z: 20 13.749 1.797 0.462 0.563 0.947 0.632 CB 1.192 20 residues pruned to eliminate duplicates Z: 26 16.692 1.792 0.447 0.589 0.960 0.600 CB 1.231 26 residues pruned to eliminate duplicates Z: 26 19.427 1.787 0.548 0.624 1.000 0.680 CB 1.250 26 residues pruned to eliminate duplicates Z: 25 18.800 1.830 0.548 0.614 0.958 0.625 CB 1.269 25 residues pruned to eliminate duplicates Z: 28 18.342 1.744 0.513 0.587 0.963 0.630 CB 1.278 28 residues pruned to eliminate duplicates Z: 27 16.952 1.800 0.507 0.574 0.923 0.731 CB 1.236 27 residues pruned to eliminate duplicates Z: 26 17.524 1.814 0.403 0.606 0.960 0.680 CB 1.297 26 residues pruned to eliminate duplicates Z: 26 16.067 1.786 0.397 0.612 0.920 0.680 CB 1.259 26 residues pruned to eliminate duplicates Z: 29 23.715 1.783 0.642 0.706 1.000 0.786 CB 1.269 29 residues pruned to eliminate duplicates Z: 14 11.417 1.606 0.394 0.619 1.000 0.769 CB 1.264 14 residues pruned to eliminate duplicates Z: 29 18.950 1.780 0.376 0.686 1.000 0.643 CB 1.232 29 residues pruned to eliminate duplicates Z: 31 18.239 1.716 0.471 0.635 0.967 0.733 CB 1.203 31 residues pruned to eliminate duplicates Z: 26 16.029 1.802 0.346 0.572 1.000 0.600 CB 1.233 26 residues pruned to eliminate duplicates Z: 30 19.623 1.762 0.570 0.654 0.931 0.655 CB 1.226 30 residues pruned to eliminate duplicates Z: 29 21.468 1.779 0.553 0.684 0.964 0.714 CB 1.286 29 residues pruned to eliminate duplicates Z: 31 19.178 1.736 0.551 0.635 0.933 0.800 CB 1.227 31 residues pruned to eliminate duplicates Z: 19 13.151 1.671 0.636 0.629 0.889 0.778 CB 1.130 19 residues pruned to eliminate duplicates Z: 29 20.560 1.769 0.496 0.690 1.000 0.821 CB 1.234 29 residues pruned to eliminate duplicates Z: 29 20.224 1.766 0.584 0.691 0.929 0.786 CB 1.236 29 residues pruned to eliminate duplicates Z: 29 21.334 1.762 0.543 0.705 1.000 0.786 CB 1.231 29 residues pruned to eliminate duplicates Z: 29 19.102 1.786 0.416 0.669 1.000 0.786 CB 1.222 29 residues pruned to eliminate duplicates Z: 30 44.699 2.463 0.847 0.624 0.966 0.690 CB 1.681 30 residues pruned to eliminate duplicates Z: 30 46.170 2.411 0.980 0.665 0.966 0.621 CB 1.597 31 residues pruned to eliminate duplicates Z: 15 30.310 2.369 0.799 0.922 0.857 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 30 53.713 2.461 1.164 0.652 0.931 0.655 CB 1.746 30 residues pruned to eliminate duplicates Z: 31 53.974 2.426 1.183 0.653 0.933 0.733 CB 1.730 32 residues pruned to eliminate duplicates Z: 16 37.144 2.279 1.032 0.916 1.000 0.800 CB 1.463 16 residues pruned to eliminate duplicates Z: 30 48.681 2.413 1.002 0.653 0.966 0.552 CB 1.681 30 residues pruned to eliminate duplicates Z: 33 45.917 2.332 1.055 0.628 0.969 0.531 CB 1.550 33 residues pruned to eliminate duplicates Z: 26 58.987 2.619 1.170 0.669 0.960 0.600 CB 1.850 26 residues pruned to eliminate duplicates Z: 28 53.406 2.540 1.037 0.695 0.963 0.667 CB 1.727 28 residues pruned to eliminate duplicates Z: 29 46.889 2.454 1.038 0.654 0.893 0.500 CB 1.719 29 residues pruned to eliminate duplicates Z: 29 51.915 2.490 1.112 0.651 0.929 0.607 CB 1.744 29 residues pruned to eliminate duplicates Z: 28 57.835 2.545 1.170 0.688 0.963 0.667 CB 1.762 28 residues pruned to eliminate duplicates Z: 28 59.464 2.553 1.180 0.697 0.963 0.630 CB 1.784 28 residues pruned to eliminate duplicates Z: 7 11.647 2.052 0.689 0.742 0.667 0.167 CA 1.657 7 residues pruned to eliminate duplicates Z: 27 61.949 2.580 1.375 0.681 0.923 0.577 CB 1.818 27 residues pruned to eliminate duplicates Z: 7 18.029 2.263 1.049 0.527 1.000 0.833 CA 1.545 7 residues pruned to eliminate duplicates Z: 27 55.649 2.548 1.264 0.692 0.923 0.654 CB 1.718 27 residues pruned to eliminate duplicates Z: 28 55.956 2.522 1.248 0.672 0.926 0.630 CB 1.750 28 residues pruned to eliminate duplicates Z: 32 48.378 2.341 1.201 0.619 0.903 0.516 CB 1.668 32 residues pruned to eliminate duplicates Z: 27 58.924 2.541 1.322 0.705 0.923 0.654 CB 1.761 28 residues pruned to eliminate duplicates Z: 6 7.300 1.840 0.656 0.480 1.000 1.000 CA 1.093 6 residues pruned to eliminate duplicates Z: 30 46.713 2.424 1.152 0.646 0.897 0.586 CB 1.618 30 residues pruned to eliminate duplicates Z: 30 53.686 2.421 1.234 0.648 0.931 0.586 CB 1.725 30 residues pruned to eliminate duplicates Z: 29 54.536 2.470 1.164 0.682 0.964 0.571 CB 1.692 29 residues pruned to eliminate duplicates Z: 31 46.466 2.359 1.130 0.624 0.933 0.633 CB 1.609 31 residues pruned to eliminate duplicates Z: 6 4.427 1.640 0.295 0.444 1.000 1.000 CB 0.988 5 residues pruned to eliminate duplicates Z: 13 9.219 1.835 0.149 0.713 1.000 0.583 CB 1.040 13 residues pruned to eliminate duplicates Z: 50 33.861 2.155 0.520 0.572 0.980 0.653 CB 1.406 50 residues pruned to eliminate duplicates Z: 44 24.950 2.083 0.356 0.581 0.953 0.674 CB 1.307 44 residues pruned to eliminate duplicates Z: 27 16.424 1.900 0.408 0.599 0.885 0.577 CB 1.239 27 residues pruned to eliminate duplicates Z: 50 35.898 2.165 0.589 0.592 0.980 0.714 CB 1.394 50 residues pruned to eliminate duplicates Z: 53 34.290 2.120 0.593 0.579 0.942 0.654 CB 1.384 53 residues pruned to eliminate duplicates Z: 51 32.082 2.124 0.541 0.568 0.940 0.720 CB 1.381 51 residues pruned to eliminate duplicates Z: 16 10.493 1.897 0.271 0.615 0.800 0.733 CB 1.260 16 residues pruned to eliminate duplicates Z: 52 30.955 2.128 0.460 0.562 0.941 0.706 CB 1.395 52 residues pruned to eliminate duplicates Z: 52 31.990 2.130 0.559 0.558 0.941 0.686 CB 1.355 52 residues pruned to eliminate duplicates Z: 53 34.340 2.131 0.575 0.575 0.942 0.712 CB 1.401 53 residues pruned to eliminate duplicates Z: 52 31.655 2.139 0.519 0.585 0.922 0.745 CB 1.365 52 residues pruned to eliminate duplicates Z: 52 29.747 2.136 0.477 0.565 0.922 0.667 CB 1.346 52 residues pruned to eliminate duplicates Z: 54 30.603 2.073 0.591 0.507 0.906 0.679 CB 1.398 54 residues pruned to eliminate duplicates Z: 78 50.909 2.211 0.817 0.550 0.935 0.688 CB 1.470 78 residues pruned to eliminate duplicates Z: 78 45.399 2.170 0.710 0.549 0.948 0.714 CB 1.402 78 residues pruned to eliminate duplicates Z: 37 35.205 2.229 0.763 0.568 0.972 0.639 CB 1.437 37 residues pruned to eliminate duplicates Z: 38 35.395 2.216 0.859 0.562 0.946 0.676 CB 1.405 38 residues pruned to eliminate duplicates Z: 36 34.021 2.250 0.709 0.587 0.971 0.543 CB 1.416 36 residues pruned to eliminate duplicates Z: 53 37.681 2.148 0.647 0.572 0.981 0.635 CB 1.405 53 residues pruned to eliminate duplicates Z: 32 29.103 2.186 0.814 0.588 0.871 0.645 CB 1.391 32 residues pruned to eliminate duplicates Z: 42 31.123 2.164 0.741 0.523 0.902 0.610 CB 1.398 42 residues pruned to eliminate duplicates Z: 58 31.790 2.064 0.517 0.557 0.947 0.649 CB 1.342 58 residues pruned to eliminate duplicates Z: 52 33.577 2.144 0.607 0.589 0.922 0.725 CB 1.360 52 residues pruned to eliminate duplicates Z: 35 37.966 2.274 0.812 0.602 0.971 0.647 CB 1.477 35 residues pruned to eliminate duplicates Z: 74 45.775 2.226 0.699 0.558 0.932 0.726 CB 1.438 74 residues pruned to eliminate duplicates Z: 33 38.647 2.297 0.929 0.589 0.969 0.531 CB 1.462 33 residues pruned to eliminate duplicates Z: 39 34.720 2.197 0.864 0.531 0.947 0.553 CB 1.407 39 residues pruned to eliminate duplicates Z: 34 35.343 2.284 0.792 0.609 0.970 0.545 CB 1.397 34 residues pruned to eliminate duplicates Z: 34 36.385 2.264 0.749 0.621 1.000 0.545 CB 1.427 34 residues pruned to eliminate duplicates Z: 34 31.558 2.263 0.748 0.573 0.939 0.606 CB 1.378 34 residues pruned to eliminate duplicates 410 residues left after pruning, divided into chains as follows: A: 167 B: 13 C: 173 D: 30 E: 27 CC for partial structure against native data = 41.07 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.558, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.635, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.759, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.768, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.780, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.784, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.789, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.790, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.792, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.792, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2079 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 522 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 33.095 2.467 0.541 0.935 1.000 0.900 CA 1.918 B: 18 30.158 2.052 0.665 0.867 0.941 0.588 CB 1.664 11 residues pruned to eliminate duplicates C: 12 38.288 2.482 1.012 0.841 0.818 0.727 CA 2.107 13 residues pruned to eliminate duplicates D: 13 21.859 2.142 0.674 0.796 0.833 0.833 CA 1.630 13 residues pruned to eliminate duplicates E: 13 40.641 2.404 0.970 0.910 1.000 0.667 CB 1.756 F: 15 39.444 2.282 0.899 0.858 1.000 0.643 CB 1.792 18 residues pruned to eliminate duplicates G: 13 35.219 2.311 0.794 0.888 1.000 0.833 CB 1.767 13 residues pruned to eliminate duplicates H: 13 36.240 2.373 0.924 0.843 0.917 0.667 CA 1.861 14 residues pruned to eliminate duplicates I: 10 24.526 2.021 0.779 0.852 1.000 0.778 CB 1.683 J: 27 50.196 2.521 1.309 0.679 0.846 0.538 CB 1.695 K: 43 62.301 2.597 1.045 0.559 0.929 0.738 CB 1.841 23 residues pruned to eliminate duplicates L: 13 28.711 2.291 0.349 0.881 1.000 0.917 CA 1.941 13 residues pruned to eliminate duplicates M: 26 52.892 2.574 1.158 0.657 0.920 0.560 CB 1.788 27 residues pruned to eliminate duplicates N: 14 46.109 2.224 1.292 0.892 1.000 0.846 CA 1.803 O: 16 17.624 2.004 0.341 0.775 0.933 0.867 CB 1.423 P: 13 52.681 2.417 1.214 0.905 1.000 0.833 CA 2.023 14 residues pruned to eliminate duplicates Q: 13 37.562 2.333 0.802 0.892 1.000 0.833 CB 1.853 13 residues pruned to eliminate duplicates R: 15 39.167 2.287 1.211 0.923 0.929 0.643 CB 1.568 13 residues pruned to eliminate duplicates S: 37 31.496 2.229 0.561 0.551 0.972 0.722 CB 1.476 T: 14 24.826 2.318 0.445 0.874 0.923 0.923 CB 1.621 U: 12 28.305 2.389 0.491 0.936 1.000 0.909 CB 1.669 V: 15 25.653 2.247 0.580 0.760 0.929 0.786 CA 1.650 15 residues pruned to eliminate duplicates W: 15 34.002 2.197 1.058 0.886 0.929 0.714 CB 1.562 15 residues pruned to eliminate duplicates X: 12 24.997 2.284 0.449 0.830 0.909 0.818 CA 1.884 13 residues pruned to eliminate duplicates Y: 26 40.712 2.462 0.888 0.602 0.920 0.640 CB 1.728 12 residues pruned to eliminate duplicates Z: 8 15.246 2.041 0.753 0.548 1.000 0.714 CA 1.537 Z: 7 7.242 1.868 0.364 0.640 0.833 0.667 CB 1.222 Z: 13 38.911 2.401 1.000 0.903 0.917 0.750 CB 1.820 14 residues pruned to eliminate duplicates Z: 15 34.695 2.190 1.088 0.857 0.857 0.643 CB 1.743 15 residues pruned to eliminate duplicates Z: 15 26.331 2.133 0.584 0.881 0.929 0.786 CB 1.624 Z: 15 40.081 2.176 1.069 0.855 1.000 0.857 CA 1.757 15 residues pruned to eliminate duplicates Z: 7 10.169 1.921 0.690 0.670 0.833 0.333 N 1.311 7 residues pruned to eliminate duplicates Z: 17 27.516 2.132 0.995 0.908 0.938 0.562 CB 1.225 17 residues pruned to eliminate duplicates Z: 12 32.301 2.366 0.718 0.927 1.000 0.818 CB 1.679 12 residues pruned to eliminate duplicates Z: 74 62.171 2.484 1.004 0.479 0.890 0.589 CB 1.678 71 residues pruned to eliminate duplicates Z: 27 58.084 2.513 1.240 0.709 0.962 0.500 CB 1.741 28 residues pruned to eliminate duplicates Z: 18 27.309 1.983 0.527 0.829 0.941 0.706 CA 1.748 36 residues pruned to eliminate duplicates Z: 14 37.227 2.249 1.014 0.884 0.923 0.538 CB 1.784 14 residues pruned to eliminate duplicates Z: 11 24.017 2.101 0.742 0.762 0.900 0.700 CA 1.827 11 residues pruned to eliminate duplicates Z: 25 49.551 2.528 1.205 0.694 0.875 0.500 CB 1.737 25 residues pruned to eliminate duplicates Z: 41 30.190 2.051 0.629 0.558 0.950 0.675 CB 1.422 Z: 13 46.596 2.337 1.169 0.906 1.000 0.917 CA 1.887 13 residues pruned to eliminate duplicates Z: 16 28.985 2.170 1.019 0.802 0.933 0.600 CB 1.406 14 residues pruned to eliminate duplicates Z: 28 50.892 2.460 1.186 0.660 0.889 0.667 CB 1.766 28 residues pruned to eliminate duplicates Z: 14 24.475 2.200 0.709 0.842 0.846 0.615 CB 1.589 14 residues pruned to eliminate duplicates Z: 12 32.466 2.325 0.759 0.902 1.000 1.000 CA 1.706 Z: 17 22.931 2.116 0.561 0.895 1.000 0.562 CB 1.244 20 residues pruned to eliminate duplicates Z: 13 26.352 2.203 0.625 0.887 1.000 0.833 CA 1.532 13 residues pruned to eliminate duplicates Z: 18 34.117 2.379 1.113 0.576 0.941 0.647 CB 1.626 16 residues pruned to eliminate duplicates Z: 15 28.965 2.147 0.907 0.852 0.857 0.571 CB 1.632 15 residues pruned to eliminate duplicates Z: 7 10.575 1.925 0.824 0.834 0.667 0.500 N 1.382 7 residues pruned to eliminate duplicates Z: 10 11.575 2.259 0.949 0.414 0.667 0.444 CB 1.438 10 residues pruned to eliminate duplicates Z: 17 28.465 2.212 0.597 0.809 1.000 0.562 CB 1.538 17 residues pruned to eliminate duplicates Z: 13 24.727 2.120 0.819 0.893 1.000 0.833 CB 1.329 13 residues pruned to eliminate duplicates Z: 14 35.465 2.241 0.861 0.907 1.000 0.769 CA 1.676 14 residues pruned to eliminate duplicates Z: 44 43.947 2.304 0.874 0.480 0.953 0.605 CB 1.661 21 residues pruned to eliminate duplicates Z: 13 28.345 2.268 0.451 0.925 1.000 0.917 CB 1.745 13 residues pruned to eliminate duplicates Z: 18 20.467 2.131 0.365 0.807 0.941 0.765 CB 1.387 15 residues pruned to eliminate duplicates Z: 21 25.368 2.223 0.873 0.430 0.900 0.450 CB 1.629 21 residues pruned to eliminate duplicates Z: 18 19.604 2.032 0.485 0.868 1.000 0.529 CB 1.151 18 residues pruned to eliminate duplicates Z: 16 21.460 2.275 0.324 0.833 0.733 0.667 CB 1.880 16 residues pruned to eliminate duplicates Z: 18 22.180 2.141 0.366 0.811 0.882 0.471 CB 1.589 16 residues pruned to eliminate duplicates Z: 7 16.088 2.120 0.524 0.755 1.000 0.667 CA 1.620 Z: 75 52.756 2.250 0.775 0.553 0.946 0.635 CB 1.542 49 residues pruned to eliminate duplicates Z: 13 32.023 2.254 0.775 0.903 1.000 0.833 CA 1.647 13 residues pruned to eliminate duplicates Z: 8 23.166 2.442 0.480 0.888 1.000 0.857 CA 1.745 8 residues pruned to eliminate duplicates Z: 13 33.956 2.318 0.952 0.847 0.917 0.667 CB 1.755 13 residues pruned to eliminate duplicates Z: 59 41.463 2.228 0.864 0.444 0.914 0.586 CB 1.520 46 residues pruned to eliminate duplicates Z: 12 21.986 2.368 0.162 0.899 1.000 0.818 CA 1.722 12 residues pruned to eliminate duplicates Z: 42 30.551 2.188 0.721 0.411 0.951 0.634 CB 1.462 42 residues pruned to eliminate duplicates Z: 12 37.320 2.305 1.176 0.939 1.000 1.000 CB 1.559 12 residues pruned to eliminate duplicates Z: 14 29.596 2.436 1.216 0.454 0.923 0.615 CA 1.727 14 residues pruned to eliminate duplicates Z: 19 21.201 2.055 0.534 0.758 0.944 0.667 CB 1.335 19 residues pruned to eliminate duplicates Z: 11 43.508 2.415 1.192 0.929 1.000 0.900 CB 1.820 12 residues pruned to eliminate duplicates Z: 29 40.224 2.259 1.032 0.515 0.929 0.643 CB 1.757 20 residues pruned to eliminate duplicates Z: 47 55.758 2.539 1.004 0.512 0.913 0.630 CB 1.750 48 residues pruned to eliminate duplicates Z: 17 17.901 2.037 0.456 0.752 0.875 0.562 CB 1.377 17 residues pruned to eliminate duplicates Z: 12 36.592 2.511 0.559 0.928 1.000 1.000 CA 1.974 12 residues pruned to eliminate duplicates Z: 12 33.923 2.318 0.856 0.858 1.000 0.818 CA 1.750 12 residues pruned to eliminate duplicates Z: 12 27.254 2.263 0.911 0.836 0.818 0.727 CB 1.738 12 residues pruned to eliminate duplicates Z: 101 61.057 2.271 0.947 0.493 0.880 0.590 CB 1.580 72 residues pruned to eliminate duplicates Z: 87 66.847 2.447 0.941 0.459 0.919 0.593 CB 1.722 87 residues pruned to eliminate duplicates Z: 50 34.916 2.162 0.715 0.555 0.918 0.592 CB 1.388 50 residues pruned to eliminate duplicates Z: 15 23.491 2.242 0.674 0.824 0.857 0.714 CB 1.474 15 residues pruned to eliminate duplicates Z: 17 26.500 2.108 0.607 0.855 0.875 0.625 CB 1.649 17 residues pruned to eliminate duplicates Z: 35 26.858 2.187 0.594 0.349 0.941 0.529 CB 1.653 35 residues pruned to eliminate duplicates Z: 15 31.929 2.146 0.688 0.843 1.000 0.571 CB 1.755 15 residues pruned to eliminate duplicates Z: 87 66.932 2.433 0.903 0.503 0.907 0.651 CB 1.714 87 residues pruned to eliminate duplicates Z: 12 27.882 2.287 0.571 0.851 0.909 0.818 CA 1.905 12 residues pruned to eliminate duplicates Z: 84 76.481 2.451 1.006 0.545 0.952 0.675 CB 1.717 84 residues pruned to eliminate duplicates Z: 18 21.944 2.004 0.676 0.838 0.824 0.471 CB 1.438 18 residues pruned to eliminate duplicates Z: 46 44.170 2.331 0.789 0.488 0.956 0.644 CB 1.672 46 residues pruned to eliminate duplicates Z: 6 13.889 2.018 0.454 0.839 1.000 1.000 CA 1.581 6 residues pruned to eliminate duplicates Z: 15 18.282 2.107 0.320 0.802 0.857 0.571 CA 1.574 15 residues pruned to eliminate duplicates Z: 13 27.781 2.359 0.363 0.882 1.000 0.667 CB 1.806 13 residues pruned to eliminate duplicates Z: 22 25.950 2.045 0.775 0.808 0.905 0.524 CB 1.318 22 residues pruned to eliminate duplicates Z: 60 49.515 2.359 0.929 0.509 0.915 0.610 CB 1.534 60 residues pruned to eliminate duplicates Z: 8 11.299 2.076 0.536 0.594 0.857 0.714 CB 1.428 8 residues pruned to eliminate duplicates Z: 15 30.563 2.108 0.669 0.850 1.000 0.714 CB 1.720 17 residues pruned to eliminate duplicates Z: 11 16.193 1.984 0.600 0.820 0.800 0.700 CB 1.527 11 residues pruned to eliminate duplicates Z: 6 3.620 1.642 0.039 0.839 0.800 0.600 N 0.886 Z: 114 76.725 2.459 0.926 0.482 0.903 0.593 CB 1.719 114 residues pruned to eliminate duplicates Z: 55 32.253 2.084 0.639 0.548 0.870 0.722 CB 1.408 56 residues pruned to eliminate duplicates Z: 15 29.130 2.170 0.545 0.846 1.000 0.786 CB 1.726 15 residues pruned to eliminate duplicates Z: 114 76.855 2.469 0.905 0.480 0.912 0.619 CB 1.722 114 residues pruned to eliminate duplicates Z: 14 28.010 2.099 0.861 0.843 0.846 0.769 CA 1.749 14 residues pruned to eliminate duplicates Z: 14 32.187 2.445 0.709 0.928 0.923 0.615 CB 1.621 14 residues pruned to eliminate duplicates Z: 15 21.434 2.259 0.300 0.803 1.000 0.786 CB 1.496 15 residues pruned to eliminate duplicates Z: 12 12.938 1.923 0.257 0.801 0.818 0.636 CA 1.516 12 residues pruned to eliminate duplicates Z: 19 18.877 2.049 0.423 0.748 0.944 0.722 CB 1.295 19 residues pruned to eliminate duplicates Z: 76 52.706 2.263 0.911 0.473 0.933 0.667 CB 1.549 76 residues pruned to eliminate duplicates Z: 73 55.213 2.331 0.869 0.512 0.917 0.639 CB 1.610 73 residues pruned to eliminate duplicates Z: 98 53.559 2.281 0.812 0.457 0.866 0.505 CB 1.588 97 residues pruned to eliminate duplicates Z: 20 29.862 2.290 0.694 0.834 0.895 0.526 CB 1.480 20 residues pruned to eliminate duplicates Z: 11 17.719 1.969 0.556 0.846 0.900 0.400 CB 1.510 11 residues pruned to eliminate duplicates Z: 17 22.950 2.131 0.680 0.792 0.938 0.625 CB 1.323 17 residues pruned to eliminate duplicates Z: 15 24.738 2.102 0.722 0.814 0.929 0.643 CB 1.497 15 residues pruned to eliminate duplicates Z: 16 33.511 2.150 0.804 0.852 0.933 0.533 CB 1.768 16 residues pruned to eliminate duplicates Z: 15 28.536 2.359 0.630 0.847 0.929 0.429 CB 1.586 15 residues pruned to eliminate duplicates Z: 44 62.502 2.527 1.132 0.506 0.930 0.651 CB 1.890 44 residues pruned to eliminate duplicates Z: 51 53.338 2.554 0.903 0.475 0.900 0.600 CB 1.768 51 residues pruned to eliminate duplicates Z: 17 20.785 2.034 0.451 0.849 0.938 0.875 CB 1.392 17 residues pruned to eliminate duplicates Z: 55 45.006 2.338 0.793 0.543 0.889 0.574 CB 1.576 86 residues pruned to eliminate duplicates Z: 13 25.841 2.166 1.012 0.774 0.833 0.583 CB 1.612 13 residues pruned to eliminate duplicates Z: 49 59.828 2.592 1.036 0.482 0.917 0.688 CB 1.817 49 residues pruned to eliminate duplicates Z: 12 31.314 2.315 0.637 0.879 1.000 0.818 CB 1.806 12 residues pruned to eliminate duplicates Z: 60 36.838 2.096 0.640 0.588 0.881 0.610 CB 1.454 58 residues pruned to eliminate duplicates Z: 19 24.319 2.147 0.484 0.702 1.000 0.833 CB 1.498 19 residues pruned to eliminate duplicates Z: 17 20.283 2.045 0.479 0.896 0.938 0.750 CB 1.281 17 residues pruned to eliminate duplicates Z: 7 7.320 1.897 0.178 0.840 0.833 0.833 CB 1.197 7 residues pruned to eliminate duplicates Z: 62 53.460 2.444 0.914 0.495 0.869 0.590 CB 1.693 62 residues pruned to eliminate duplicates Z: 13 13.565 1.736 0.422 0.748 0.833 0.583 CA 1.526 13 residues pruned to eliminate duplicates Z: 16 20.779 2.124 0.105 0.853 1.000 0.667 CB 1.690 16 residues pruned to eliminate duplicates Z: 72 70.415 2.535 1.026 0.521 0.930 0.690 CB 1.716 72 residues pruned to eliminate duplicates Z: 28 34.899 2.354 0.933 0.567 0.889 0.667 CB 1.556 28 residues pruned to eliminate duplicates Z: 14 25.812 2.252 0.339 0.847 1.000 0.692 CB 1.763 14 residues pruned to eliminate duplicates Z: 80 71.277 2.439 0.899 0.505 0.975 0.582 CB 1.768 80 residues pruned to eliminate duplicates Z: 6 5.170 1.766 0.398 0.571 0.800 0.600 C 1.094 6 residues pruned to eliminate duplicates Z: 50 37.045 2.306 0.745 0.467 0.898 0.551 CB 1.515 50 residues pruned to eliminate duplicates Z: 8 6.209 1.618 0.550 0.719 0.857 0.429 CB 0.896 8 residues pruned to eliminate duplicates Z: 29 29.062 2.295 0.969 0.525 0.786 0.500 CB 1.509 29 residues pruned to eliminate duplicates Z: 45 49.507 2.578 0.845 0.434 0.886 0.636 CB 1.897 45 residues pruned to eliminate duplicates Z: 15 20.295 2.259 0.371 0.815 0.857 0.714 CB 1.553 15 residues pruned to eliminate duplicates Z: 27 56.732 2.487 1.226 0.693 0.923 0.692 CB 1.825 Z: 15 28.423 2.004 1.108 0.852 0.929 0.500 CB 1.433 15 residues pruned to eliminate duplicates Z: 17 19.847 2.058 0.296 0.873 1.000 0.875 CB 1.354 17 residues pruned to eliminate duplicates Z: 33 28.031 1.987 0.650 0.625 0.938 0.719 CB 1.433 33 residues pruned to eliminate duplicates Z: 11 15.102 2.002 0.446 0.823 0.900 0.400 CB 1.385 11 residues pruned to eliminate duplicates Z: 18 24.209 2.231 0.438 0.719 0.941 0.706 CB 1.595 18 residues pruned to eliminate duplicates Z: 17 19.228 2.059 0.321 0.874 1.000 0.812 CB 1.286 17 residues pruned to eliminate duplicates Z: 45 59.783 2.491 1.023 0.551 0.932 0.727 CB 1.827 45 residues pruned to eliminate duplicates Z: 13 29.812 2.410 0.611 0.900 1.000 0.917 CB 1.584 13 residues pruned to eliminate duplicates Z: 52 32.059 2.116 0.661 0.519 0.941 0.588 CB 1.332 52 residues pruned to eliminate duplicates Z: 33 27.672 2.176 0.859 0.416 0.906 0.625 CB 1.457 33 residues pruned to eliminate duplicates Z: 11 12.975 1.765 0.425 0.843 1.000 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 100 66.170 2.345 0.885 0.491 0.909 0.596 CB 1.670 101 residues pruned to eliminate duplicates Z: 11 36.690 2.440 0.763 0.904 1.000 0.800 CB 1.920 11 residues pruned to eliminate duplicates Z: 11 13.010 1.774 0.502 0.901 1.000 0.800 CB 1.103 11 residues pruned to eliminate duplicates Z: 15 23.153 2.177 0.493 0.771 1.000 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 7 16.813 1.972 0.770 0.696 1.000 0.833 CA 1.644 7 residues pruned to eliminate duplicates Z: 8 12.414 2.145 0.532 0.622 0.857 0.714 CB 1.484 8 residues pruned to eliminate duplicates Z: 53 41.373 2.265 0.786 0.499 0.904 0.577 CB 1.571 53 residues pruned to eliminate duplicates Z: 16 20.760 2.129 0.299 0.899 1.000 0.800 CB 1.385 16 residues pruned to eliminate duplicates Z: 18 24.789 2.208 0.388 0.779 0.941 0.647 CB 1.630 18 residues pruned to eliminate duplicates Z: 9 22.144 2.260 0.478 0.860 1.000 0.875 CB 1.724 9 residues pruned to eliminate duplicates Z: 15 29.609 2.335 0.641 0.765 1.000 0.714 CB 1.632 15 residues pruned to eliminate duplicates Z: 15 28.383 2.086 0.854 0.866 0.857 0.786 CB 1.675 15 residues pruned to eliminate duplicates Z: 13 11.878 1.758 0.500 0.549 1.000 0.583 CB 1.239 Z: 18 24.082 2.152 0.535 0.809 0.941 0.588 CB 1.435 18 residues pruned to eliminate duplicates Z: 72 49.000 2.345 0.813 0.491 0.873 0.563 CB 1.580 72 residues pruned to eliminate duplicates Z: 8 8.255 1.672 0.512 0.502 0.857 0.714 CB 1.437 8 residues pruned to eliminate duplicates Z: 87 77.312 2.535 1.012 0.520 0.895 0.640 CB 1.791 87 residues pruned to eliminate duplicates Z: 93 78.327 2.517 1.015 0.512 0.913 0.533 CB 1.744 93 residues pruned to eliminate duplicates Z: 15 18.475 2.160 0.631 0.916 0.786 0.214 CB 1.260 15 residues pruned to eliminate duplicates Z: 8 12.854 1.897 0.531 0.813 0.857 0.571 CA 1.487 8 residues pruned to eliminate duplicates Z: 15 24.027 2.327 0.540 0.842 0.857 0.643 CB 1.558 15 residues pruned to eliminate duplicates Z: 6 7.284 1.782 0.436 0.690 1.000 0.800 CA 1.070 6 residues pruned to eliminate duplicates Z: 55 37.523 2.234 0.762 0.446 0.907 0.519 CB 1.512 55 residues pruned to eliminate duplicates Z: 10 11.277 1.728 0.346 0.860 1.000 0.778 CB 1.189 10 residues pruned to eliminate duplicates Z: 11 21.062 2.401 0.619 0.375 1.000 0.600 CB 1.958 11 residues pruned to eliminate duplicates Z: 20 21.607 2.180 0.384 0.740 0.895 0.737 CB 1.481 20 residues pruned to eliminate duplicates Z: 13 26.940 2.199 0.954 0.888 0.833 0.750 CA 1.564 12 residues pruned to eliminate duplicates Z: 10 2.799 1.639 0.292 0.354 0.778 0.333 CB 0.664 Z: 74 52.898 2.230 0.869 0.499 0.932 0.658 CB 1.596 74 residues pruned to eliminate duplicates Z: 16 23.414 2.251 0.391 0.836 0.933 0.800 CB 1.548 16 residues pruned to eliminate duplicates Z: 15 29.960 2.291 0.741 0.921 1.000 0.786 CB 1.413 15 residues pruned to eliminate duplicates Z: 30 38.527 2.242 0.908 0.566 0.931 0.552 CB 1.686 30 residues pruned to eliminate duplicates Z: 27 23.092 2.112 0.455 0.672 0.923 0.692 CB 1.362 27 residues pruned to eliminate duplicates Z: 13 32.020 2.240 1.474 0.526 0.917 0.583 CB 1.773 12 residues pruned to eliminate duplicates Z: 35 22.789 2.232 0.475 0.476 0.824 0.647 CB 1.478 35 residues pruned to eliminate duplicates Z: 22 32.815 2.492 1.020 0.351 0.857 0.524 CB 1.950 22 residues pruned to eliminate duplicates Z: 14 6.672 1.661 0.167 0.459 0.846 0.538 CB 1.176 Z: 10 4.618 1.793 -0.016 0.435 0.778 0.667 CB 1.201 Z: 11 12.016 1.864 0.249 0.836 0.900 0.600 CB 1.358 Z: 14 26.877 2.247 0.706 0.749 0.923 0.846 CB 1.687 14 residues pruned to eliminate duplicates Z: 11 27.161 2.329 0.796 0.874 1.000 0.300 CB 1.494 11 residues pruned to eliminate duplicates Z: 9 10.016 1.981 0.728 0.461 0.750 0.750 CA 1.435 9 residues pruned to eliminate duplicates Z: 8 9.962 1.871 0.299 0.811 0.857 0.571 CB 1.378 8 residues pruned to eliminate duplicates Z: 11 13.671 1.882 0.179 0.861 1.000 0.600 CB 1.431 11 residues pruned to eliminate duplicates Z: 14 32.221 2.257 0.728 0.875 1.000 0.769 CB 1.666 14 residues pruned to eliminate duplicates Z: 19 22.322 2.174 0.493 0.778 0.889 0.611 CB 1.427 19 residues pruned to eliminate duplicates Z: 7 6.955 1.902 -0.091 0.879 1.000 1.000 CB 1.190 7 residues pruned to eliminate duplicates Z: 6 2.962 1.786 0.714 0.410 0.600 0.400 CB 0.792 6 residues pruned to eliminate duplicates Z: 22 34.480 2.250 1.158 0.608 0.857 0.476 CB 1.632 22 residues pruned to eliminate duplicates Z: 19 23.297 2.006 0.597 0.849 0.944 0.556 CB 1.345 19 residues pruned to eliminate duplicates Z: 12 21.012 1.949 0.638 0.864 1.000 0.636 CA 1.455 12 residues pruned to eliminate duplicates Z: 16 9.830 1.841 0.416 0.410 0.733 0.533 CB 1.458 16 residues pruned to eliminate duplicates Z: 12 9.081 1.825 0.260 0.538 0.909 0.727 CB 1.261 14 residues pruned to eliminate duplicates Z: 8 17.387 1.926 0.869 0.718 1.000 0.714 C 1.498 8 residues pruned to eliminate duplicates Z: 27 16.163 1.753 0.440 0.564 0.923 0.692 CB 1.278 24 residues pruned to eliminate duplicates Z: 14 31.590 2.380 1.008 0.916 0.923 0.308 CB 1.403 14 residues pruned to eliminate duplicates Z: 118 71.854 2.426 0.801 0.476 0.906 0.590 CB 1.718 118 residues pruned to eliminate duplicates Z: 15 7.786 1.788 0.347 0.470 0.929 0.571 CB 0.959 15 residues pruned to eliminate duplicates Z: 10 5.394 1.724 0.075 0.489 1.000 0.667 CB 0.982 Z: 41 35.017 2.215 0.988 0.440 0.875 0.525 CB 1.529 41 residues pruned to eliminate duplicates Z: 11 12.560 1.784 0.400 0.912 1.000 0.700 CB 1.126 11 residues pruned to eliminate duplicates Z: 29 13.975 1.737 0.253 0.552 0.929 0.714 CB 1.241 29 residues pruned to eliminate duplicates Z: 22 31.299 2.254 0.874 0.541 0.905 0.333 CB 1.716 22 residues pruned to eliminate duplicates Z: 7 3.634 1.778 -0.045 0.618 0.667 0.333 CA 1.172 7 residues pruned to eliminate duplicates Z: 67 53.692 2.326 0.957 0.488 0.955 0.621 CB 1.539 67 residues pruned to eliminate duplicates Z: 6 3.535 1.235 1.124 0.584 0.800 0.600 CB 0.695 Z: 12 11.571 1.677 0.349 0.859 1.000 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 18 22.488 2.118 0.233 0.843 0.941 0.706 CB 1.653 18 residues pruned to eliminate duplicates Z: 15 32.238 2.329 1.020 0.850 0.857 0.571 CB 1.583 15 residues pruned to eliminate duplicates Z: 22 20.610 1.946 1.025 0.409 0.857 0.571 CB 1.465 22 residues pruned to eliminate duplicates Z: 6 3.662 1.486 0.870 0.292 0.800 0.600 CA 0.931 Z: 8 4.719 1.714 0.293 0.605 0.714 0.714 CB 1.020 Z: 15 22.991 2.150 0.440 0.926 1.000 0.929 CB 1.391 15 residues pruned to eliminate duplicates Z: 28 35.005 2.354 0.875 0.561 0.889 0.556 CB 1.619 28 residues pruned to eliminate duplicates Z: 10 7.163 1.668 0.490 0.427 0.889 0.667 CA 1.166 8 residues pruned to eliminate duplicates Z: 7 5.560 1.793 0.570 0.575 0.833 0.667 CB 0.900 7 residues pruned to eliminate duplicates Z: 23 42.233 2.382 1.044 0.619 0.909 0.682 CB 1.818 23 residues pruned to eliminate duplicates Z: 12 9.086 1.823 0.269 0.511 0.909 0.545 CB 1.289 12 residues pruned to eliminate duplicates Z: 7 7.409 1.896 -0.010 0.867 1.000 0.833 CB 1.179 7 residues pruned to eliminate duplicates Z: 30 40.543 2.353 0.803 0.524 0.966 0.586 CB 1.795 30 residues pruned to eliminate duplicates Z: 131 81.643 2.440 0.919 0.490 0.908 0.546 CB 1.701 131 residues pruned to eliminate duplicates Z: 37 31.795 2.266 0.554 0.566 0.944 0.778 CB 1.495 37 residues pruned to eliminate duplicates Z: 42 21.435 1.978 0.519 0.501 0.854 0.634 CB 1.304 42 residues pruned to eliminate duplicates Z: 26 42.009 2.323 1.108 0.593 0.880 0.640 CB 1.784 26 residues pruned to eliminate duplicates Z: 76 62.868 2.482 0.931 0.498 0.880 0.600 CB 1.725 76 residues pruned to eliminate duplicates Z: 13 6.268 1.675 0.100 0.458 1.000 0.500 CB 1.026 13 residues pruned to eliminate duplicates Z: 12 13.486 1.706 0.319 0.842 0.909 0.545 CB 1.481 12 residues pruned to eliminate duplicates Z: 27 22.070 2.040 0.555 0.649 0.885 0.654 CB 1.342 27 residues pruned to eliminate duplicates Z: 52 34.135 2.154 0.583 0.562 0.922 0.667 CB 1.433 52 residues pruned to eliminate duplicates Z: 9 3.467 1.826 0.129 0.434 0.625 0.500 CB 1.019 9 residues pruned to eliminate duplicates Z: 93 59.658 2.298 0.903 0.496 0.870 0.598 CB 1.642 93 residues pruned to eliminate duplicates Z: 18 25.764 2.091 0.830 0.624 0.941 0.765 CB 1.543 18 residues pruned to eliminate duplicates Z: 10 27.695 2.413 0.664 0.811 0.889 0.444 CB 1.973 10 residues pruned to eliminate duplicates Z: 16 17.878 1.966 0.557 0.774 0.800 0.533 CB 1.480 16 residues pruned to eliminate duplicates Z: 6 5.370 1.462 0.793 0.812 0.800 0.600 O 0.873 6 residues pruned to eliminate duplicates Z: 8 5.178 1.465 0.908 0.518 1.000 0.714 CB 0.688 Z: 10 12.097 1.798 0.331 0.885 1.000 0.778 CB 1.216 10 residues pruned to eliminate duplicates Z: 21 24.443 2.339 0.548 0.575 0.850 0.650 CB 1.652 21 residues pruned to eliminate duplicates Z: 111 54.218 2.207 0.768 0.458 0.900 0.555 CB 1.536 123 residues pruned to eliminate duplicates Z: 20 22.895 2.186 0.266 0.765 1.000 0.632 CB 1.500 20 residues pruned to eliminate duplicates Z: 7 3.740 1.300 0.385 0.648 0.667 0.667 CB 1.108 Z: 8 8.136 1.843 0.045 0.869 0.857 0.714 CB 1.361 8 residues pruned to eliminate duplicates Z: 9 9.666 1.697 0.170 0.867 1.000 0.625 CB 1.259 9 residues pruned to eliminate duplicates Z: 19 12.036 1.660 0.467 0.471 1.000 0.722 CB 1.199 18 residues pruned to eliminate duplicates Z: 14 21.693 2.267 0.814 0.367 0.923 0.462 CA 1.828 14 residues pruned to eliminate duplicates Z: 8 5.526 1.691 0.800 0.565 0.714 0.571 CB 0.902 8 residues pruned to eliminate duplicates Z: 11 12.647 1.780 0.562 0.807 0.800 0.800 CB 1.376 11 residues pruned to eliminate duplicates Z: 16 23.384 2.109 0.389 0.897 1.000 0.867 CB 1.475 16 residues pruned to eliminate duplicates Z: 29 27.281 2.201 0.602 0.631 0.893 0.643 CB 1.448 29 residues pruned to eliminate duplicates Z: 44 51.465 2.575 0.798 0.530 0.884 0.674 CB 1.863 44 residues pruned to eliminate duplicates Z: 12 8.332 2.037 0.497 0.540 0.545 0.364 CB 1.452 12 residues pruned to eliminate duplicates Z: 20 25.110 2.118 0.548 0.719 0.947 0.684 CB 1.521 20 residues pruned to eliminate duplicates Z: 75 49.158 2.248 0.766 0.545 0.905 0.676 CB 1.522 75 residues pruned to eliminate duplicates Z: 6 7.413 2.112 0.025 0.723 1.000 1.000 CA 1.252 6 residues pruned to eliminate duplicates Z: 17 23.789 2.226 0.836 0.614 0.812 0.562 CB 1.609 17 residues pruned to eliminate duplicates Z: 35 27.077 2.210 0.474 0.441 0.912 0.471 CB 1.660 35 residues pruned to eliminate duplicates Z: 11 19.562 1.985 0.582 0.866 0.900 0.600 CA 1.603 11 residues pruned to eliminate duplicates Z: 46 46.314 2.467 0.928 0.460 0.889 0.600 CB 1.701 46 residues pruned to eliminate duplicates Z: 23 19.079 2.136 0.759 0.301 0.909 0.727 CB 1.487 29 residues pruned to eliminate duplicates Z: 28 27.068 2.182 0.834 0.451 0.926 0.630 CB 1.479 28 residues pruned to eliminate duplicates Z: 6 5.015 1.740 0.050 0.679 0.800 0.800 O 1.302 Z: 28 12.367 1.782 0.324 0.464 0.926 0.481 CB 1.130 28 residues pruned to eliminate duplicates Z: 13 8.700 1.612 0.390 0.741 0.833 0.417 CB 1.084 13 residues pruned to eliminate duplicates Z: 10 15.459 1.801 0.735 0.907 1.000 0.889 CB 1.172 10 residues pruned to eliminate duplicates Z: 41 28.249 2.027 0.467 0.606 0.975 0.675 CB 1.394 41 residues pruned to eliminate duplicates Z: 44 38.905 2.306 0.744 0.499 0.930 0.535 CB 1.588 44 residues pruned to eliminate duplicates Z: 16 14.486 1.950 0.662 0.509 1.000 0.667 CB 1.144 16 residues pruned to eliminate duplicates Z: 35 39.008 2.227 0.941 0.594 0.971 0.500 CB 1.457 35 residues pruned to eliminate duplicates Z: 11 4.099 1.727 0.083 0.317 0.700 0.200 CB 1.212 Z: 9 23.732 2.269 0.742 0.801 1.000 1.000 CA 1.632 9 residues pruned to eliminate duplicates Z: 85 70.126 2.435 0.953 0.504 0.929 0.560 CB 1.726 85 residues pruned to eliminate duplicates Z: 47 36.049 2.229 0.750 0.472 0.957 0.674 CB 1.466 47 residues pruned to eliminate duplicates Z: 7 7.895 1.893 0.061 0.813 1.000 0.833 CA 1.222 7 residues pruned to eliminate duplicates Z: 11 13.982 1.783 0.209 0.902 1.000 1.000 CB 1.463 13 residues pruned to eliminate duplicates Z: 14 17.413 2.351 0.461 0.398 0.846 0.769 CA 1.851 14 residues pruned to eliminate duplicates Z: 7 8.028 2.132 1.177 0.211 0.667 0.667 CB 1.489 7 residues pruned to eliminate duplicates Z: 6 7.611 2.069 -0.005 0.724 1.000 0.400 CB 1.350 6 residues pruned to eliminate duplicates Z: 8 10.793 1.753 0.456 0.755 1.000 0.571 CA 1.273 7 residues pruned to eliminate duplicates Z: 6 7.164 1.588 0.439 0.608 1.000 0.600 CB 1.265 7 residues pruned to eliminate duplicates Z: 11 5.240 1.489 0.719 0.238 0.800 0.400 CA 1.096 Z: 12 9.748 1.951 0.835 0.428 0.909 0.636 CB 0.974 Z: 16 28.962 2.022 0.596 0.916 1.000 0.933 CA 1.636 16 residues pruned to eliminate duplicates Z: 6 7.055 1.883 0.186 0.661 0.800 0.600 N 1.522 6 residues pruned to eliminate duplicates Z: 9 3.389 1.620 0.321 0.447 0.750 0.375 CB 0.788 9 residues pruned to eliminate duplicates Z: 11 17.117 1.990 0.302 0.835 1.000 0.500 CB 1.565 11 residues pruned to eliminate duplicates Z: 12 15.977 2.252 0.816 0.312 0.909 0.818 CB 1.597 12 residues pruned to eliminate duplicates Z: 54 33.864 2.104 0.551 0.549 0.962 0.547 CB 1.412 54 residues pruned to eliminate duplicates Z: 21 15.996 1.967 0.760 0.455 0.950 0.650 CB 1.138 21 residues pruned to eliminate duplicates Z: 12 10.588 1.684 0.310 0.805 0.909 0.818 CB 1.219 12 residues pruned to eliminate duplicates Z: 16 29.708 2.336 0.533 0.772 1.000 0.733 CB 1.684 16 residues pruned to eliminate duplicates Z: 16 21.747 1.984 1.062 0.525 0.933 0.600 CB 1.436 16 residues pruned to eliminate duplicates Z: 15 24.533 2.181 1.093 0.627 0.929 0.786 CB 1.373 15 residues pruned to eliminate duplicates Z: 18 14.118 1.945 0.680 0.479 0.882 0.588 CB 1.212 18 residues pruned to eliminate duplicates Z: 6 6.616 1.474 0.436 0.731 1.000 0.400 CA 1.136 Z: 14 10.236 1.537 0.471 0.824 0.846 0.692 CB 1.121 14 residues pruned to eliminate duplicates Z: 8 21.964 2.350 0.767 0.913 1.000 1.000 CB 1.415 8 residues pruned to eliminate duplicates Z: 19 10.617 1.551 0.483 0.518 0.944 0.778 CB 1.132 19 residues pruned to eliminate duplicates Z: 71 36.180 2.072 0.558 0.556 0.886 0.657 CB 1.433 58 residues pruned to eliminate duplicates Z: 16 26.267 2.181 0.703 0.759 1.000 0.800 CB 1.450 16 residues pruned to eliminate duplicates Z: 11 6.039 1.764 0.278 0.516 0.700 0.600 CB 1.191 6 residues pruned to eliminate duplicates Z: 9 24.315 2.140 0.723 0.885 1.000 0.500 CB 1.683 9 residues pruned to eliminate duplicates Z: 55 33.081 2.213 0.632 0.390 0.944 0.463 CB 1.482 55 residues pruned to eliminate duplicates Z: 16 23.190 2.173 0.196 0.875 1.000 0.667 CB 1.676 16 residues pruned to eliminate duplicates Z: 14 26.202 2.301 0.625 0.848 0.923 0.769 CB 1.562 14 residues pruned to eliminate duplicates Z: 43 26.927 1.957 0.710 0.542 0.905 0.595 CB 1.318 43 residues pruned to eliminate duplicates Z: 10 7.841 1.482 1.003 0.444 0.889 0.778 CB 1.049 8 residues pruned to eliminate duplicates Z: 50 58.774 2.465 0.882 0.593 0.939 0.796 CB 1.763 50 residues pruned to eliminate duplicates Z: 15 22.640 2.132 0.621 0.831 0.786 0.643 CA 1.674 15 residues pruned to eliminate duplicates Z: 18 21.020 2.040 1.035 0.545 0.824 0.412 CA 1.427 18 residues pruned to eliminate duplicates Z: 17 28.401 2.082 0.814 0.770 1.000 0.625 CB 1.480 14 residues pruned to eliminate duplicates Z: 10 14.795 1.810 0.529 0.909 1.000 0.889 CB 1.265 10 residues pruned to eliminate duplicates Z: 9 4.223 1.598 0.145 0.573 0.875 0.500 CB 0.869 Z: 17 24.122 2.209 0.678 0.619 0.875 0.562 CA 1.662 17 residues pruned to eliminate duplicates Z: 32 23.027 2.045 0.572 0.505 0.839 0.742 CB 1.527 32 residues pruned to eliminate duplicates Z: 29 43.557 2.185 1.086 0.568 0.929 0.536 CA 1.821 16 residues pruned to eliminate duplicates Z: 28 38.412 2.241 1.021 0.516 0.963 0.556 CB 1.669 28 residues pruned to eliminate duplicates Z: 13 6.354 1.495 0.392 0.387 0.917 0.333 N 1.085 13 residues pruned to eliminate duplicates Z: 12 15.255 1.873 0.449 0.853 0.818 0.636 CB 1.530 12 residues pruned to eliminate duplicates Z: 66 38.280 2.158 0.715 0.487 0.862 0.569 CB 1.508 71 residues pruned to eliminate duplicates Z: 9 9.242 1.574 0.484 0.894 1.000 0.875 CB 1.004 7 residues pruned to eliminate duplicates Z: 35 34.414 2.307 0.589 0.612 0.912 0.765 CB 1.587 46 residues pruned to eliminate duplicates Z: 10 10.602 1.736 0.151 0.852 1.000 0.889 CB 1.308 10 residues pruned to eliminate duplicates Z: 15 15.737 2.024 0.656 0.512 0.857 0.643 CB 1.447 15 residues pruned to eliminate duplicates Z: 26 12.467 1.735 0.381 0.492 0.840 0.560 CB 1.249 26 residues pruned to eliminate duplicates Z: 9 14.161 1.760 0.510 0.857 1.000 0.750 CA 1.388 9 residues pruned to eliminate duplicates Z: 16 12.279 1.973 0.496 0.518 1.000 0.800 CB 1.055 16 residues pruned to eliminate duplicates Z: 22 34.701 2.518 0.838 0.523 0.905 0.762 CB 1.768 22 residues pruned to eliminate duplicates Z: 24 35.655 2.448 0.840 0.552 0.913 0.522 CB 1.718 24 residues pruned to eliminate duplicates Z: 94 67.591 2.371 0.906 0.500 0.925 0.613 CB 1.678 81 residues pruned to eliminate duplicates Z: 11 6.909 1.668 0.419 0.339 1.000 0.500 CB 1.100 11 residues pruned to eliminate duplicates Z: 8 12.844 1.854 0.409 0.824 1.000 0.714 CB 1.403 8 residues pruned to eliminate duplicates Z: 10 12.896 1.872 0.218 0.875 1.000 0.556 CB 1.371 10 residues pruned to eliminate duplicates Z: 10 15.411 1.982 0.930 0.538 0.778 0.667 CB 1.664 10 residues pruned to eliminate duplicates Z: 10 11.851 1.846 0.679 0.413 0.889 0.778 N 1.571 Z: 13 8.510 1.690 0.358 0.410 0.917 0.667 CB 1.284 13 residues pruned to eliminate duplicates Z: 35 34.694 2.268 0.949 0.412 0.941 0.588 CB 1.569 35 residues pruned to eliminate duplicates Z: 11 9.166 1.711 0.338 0.815 0.900 0.700 CB 1.070 11 residues pruned to eliminate duplicates Z: 11 8.757 1.666 0.402 0.761 0.900 0.300 CB 1.045 Z: 80 63.792 2.361 0.916 0.534 0.911 0.671 CB 1.683 80 residues pruned to eliminate duplicates Z: 24 23.183 2.034 0.910 0.336 0.913 0.522 CB 1.629 24 residues pruned to eliminate duplicates Z: 7 9.043 1.622 0.672 0.697 1.000 0.667 CB 1.137 Z: 7 9.439 1.900 0.173 0.865 1.000 0.833 CB 1.266 7 residues pruned to eliminate duplicates Z: 10 8.169 1.571 0.301 0.816 1.000 1.000 CB 1.013 10 residues pruned to eliminate duplicates Z: 15 22.322 2.070 0.764 0.734 0.929 0.500 CB 1.425 15 residues pruned to eliminate duplicates Z: 14 22.010 2.251 0.488 0.889 1.000 0.769 CB 1.312 21 residues pruned to eliminate duplicates Z: 12 31.756 2.227 0.951 0.932 1.000 0.909 CA 1.539 15 residues pruned to eliminate duplicates Z: 8 3.384 1.515 0.612 0.473 0.714 0.571 N 0.753 8 residues pruned to eliminate duplicates Z: 21 12.476 1.738 0.215 0.593 0.950 0.700 CB 1.272 21 residues pruned to eliminate duplicates Z: 11 13.615 2.110 0.835 0.461 0.800 0.700 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 40.502 2.270 0.965 0.904 1.000 0.846 CB 1.794 14 residues pruned to eliminate duplicates Z: 18 14.225 1.911 0.833 0.371 0.824 0.588 CB 1.374 18 residues pruned to eliminate duplicates Z: 26 32.000 2.250 0.909 0.602 0.920 0.640 CB 1.469 26 residues pruned to eliminate duplicates Z: 10 10.583 1.734 0.364 0.843 0.889 0.778 CB 1.249 10 residues pruned to eliminate duplicates 7 1.938 1.655 0.427 0.250 0.667 0.667 N 0.670 ? Z: 12 7.829 1.541 0.407 0.760 0.818 0.545 CB 1.056 12 residues pruned to eliminate duplicates Z: 45 37.919 2.194 0.846 0.503 0.909 0.591 CB 1.548 45 residues pruned to eliminate duplicates Z: 18 36.191 2.335 1.185 0.558 1.000 0.588 CB 1.627 20 residues pruned to eliminate duplicates Z: 9 24.475 2.341 1.189 0.794 0.875 0.375 CB 1.491 9 residues pruned to eliminate duplicates Z: 60 56.957 2.485 0.950 0.517 0.881 0.576 CB 1.707 60 residues pruned to eliminate duplicates Z: 50 27.060 1.993 0.629 0.482 0.918 0.551 CB 1.320 50 residues pruned to eliminate duplicates Z: 27 32.123 2.228 0.966 0.528 0.846 0.538 CB 1.654 27 residues pruned to eliminate duplicates Z: 20 10.075 1.616 0.458 0.471 0.895 0.579 CB 1.129 20 residues pruned to eliminate duplicates Z: 9 3.144 1.371 0.624 0.187 0.750 0.375 CB 0.968 Z: 13 9.068 1.436 0.477 0.769 0.917 0.500 CB 1.062 13 residues pruned to eliminate duplicates Z: 34 23.369 2.129 0.766 0.383 0.848 0.424 CB 1.444 44 residues pruned to eliminate duplicates Z: 16 10.772 1.598 0.426 0.483 0.867 0.667 CB 1.433 16 residues pruned to eliminate duplicates Z: 9 9.680 1.594 0.678 0.914 1.000 0.500 CB 0.905 9 residues pruned to eliminate duplicates Z: 29 43.797 2.253 1.146 0.548 0.929 0.679 CB 1.759 29 residues pruned to eliminate duplicates Z: 17 17.179 1.839 0.797 0.527 0.938 0.625 CB 1.349 20 residues pruned to eliminate duplicates Z: 7 10.417 1.915 0.255 0.849 1.000 1.000 CB 1.312 7 residues pruned to eliminate duplicates Z: 40 25.670 2.108 0.862 0.565 0.795 0.513 CB 1.238 40 residues pruned to eliminate duplicates Z: 20 25.593 2.129 0.995 0.686 0.737 0.316 CB 1.581 20 residues pruned to eliminate duplicates Z: 6 2.307 1.282 0.825 0.880 1.000 1.000 CB 0.319 Z: 19 22.412 2.120 0.360 0.867 0.833 0.500 CB 1.608 19 residues pruned to eliminate duplicates Z: 6 2.708 1.892 0.073 0.300 0.600 0.400 CB 1.243 6 residues pruned to eliminate duplicates Z: 35 34.218 2.286 0.591 0.601 0.971 0.647 CB 1.511 35 residues pruned to eliminate duplicates Z: 10 9.590 2.058 0.908 0.378 0.889 0.556 CB 1.043 10 residues pruned to eliminate duplicates Z: 11 13.442 1.971 0.320 0.836 0.800 0.600 CB 1.528 11 residues pruned to eliminate duplicates Z: 102 53.412 2.210 0.728 0.557 0.881 0.604 CB 1.495 144 residues pruned to eliminate duplicates Z: 10 13.519 1.931 0.157 0.885 1.000 0.778 CB 1.457 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 45 46.009 2.271 0.777 0.596 0.932 0.523 CB 1.683 63 residues pruned to eliminate duplicates Z: 46 44.486 2.268 0.693 0.586 0.956 0.444 CB 1.664 46 residues pruned to eliminate duplicates Z: 21 24.624 2.183 0.500 0.682 0.900 0.500 CB 1.581 Z: 18 29.452 2.227 0.413 0.827 1.000 0.529 CB 1.711 21 residues pruned to eliminate duplicates Z: 16 31.117 2.218 0.510 0.830 1.000 0.667 CA 1.804 16 residues pruned to eliminate duplicates Z: 45 39.841 2.260 0.654 0.581 0.886 0.591 CB 1.677 63 residues pruned to eliminate duplicates Z: 23 21.621 2.099 0.450 0.611 0.864 0.500 CB 1.579 Z: 18 25.276 2.194 0.421 0.780 1.000 0.588 CB 1.536 18 residues pruned to eliminate duplicates Z: 15 19.877 2.241 0.336 0.785 0.929 0.643 CB 1.488 15 residues pruned to eliminate duplicates Z: 117 67.111 2.333 0.767 0.528 0.897 0.569 CB 1.640 140 residues pruned to eliminate duplicates Z: 95 53.578 2.277 0.724 0.494 0.894 0.574 CB 1.586 95 residues pruned to eliminate duplicates Z: 22 21.348 2.152 0.305 0.644 0.952 0.714 CB 1.522 Z: 16 28.443 2.128 0.662 0.834 1.000 0.800 CB 1.557 19 residues pruned to eliminate duplicates Z: 18 27.996 2.233 0.399 0.826 1.000 0.647 CB 1.639 18 residues pruned to eliminate duplicates Z: 44 47.447 2.267 0.856 0.594 0.930 0.605 CB 1.690 63 residues pruned to eliminate duplicates Z: 117 62.607 2.313 0.748 0.532 0.897 0.586 CB 1.555 117 residues pruned to eliminate duplicates Z: 18 21.543 2.131 0.446 0.669 0.882 0.647 CB 1.644 Z: 6 11.610 1.988 1.070 0.377 1.000 0.600 CA 1.439 6 residues pruned to eliminate duplicates Z: 101 63.018 2.312 0.939 0.486 0.880 0.610 CB 1.620 101 residues pruned to eliminate duplicates Z: 107 55.937 2.271 0.810 0.460 0.877 0.585 CB 1.570 107 residues pruned to eliminate duplicates Z: 29 44.234 2.256 1.117 0.538 0.964 0.607 CB 1.748 29 residues pruned to eliminate duplicates Z: 78 51.887 2.279 0.858 0.467 0.896 0.597 CB 1.612 78 residues pruned to eliminate duplicates Z: 28 41.781 2.270 1.147 0.541 0.926 0.593 CB 1.711 28 residues pruned to eliminate duplicates Z: 30 45.326 2.198 1.213 0.549 0.966 0.552 CB 1.708 30 residues pruned to eliminate duplicates Z: 26 29.941 2.169 1.046 0.482 0.800 0.560 CB 1.717 26 residues pruned to eliminate duplicates Z: 100 64.585 2.344 0.785 0.501 0.919 0.606 CB 1.685 100 residues pruned to eliminate duplicates Z: 33 38.270 2.190 1.095 0.475 0.969 0.531 CB 1.562 33 residues pruned to eliminate duplicates Z: 71 57.375 2.313 0.933 0.525 0.900 0.671 CB 1.662 71 residues pruned to eliminate duplicates Z: 92 51.872 2.206 0.819 0.466 0.912 0.560 CB 1.539 103 residues pruned to eliminate duplicates Z: 29 43.380 2.250 1.081 0.532 0.964 0.571 CB 1.760 29 residues pruned to eliminate duplicates Z: 22 37.052 2.329 0.948 0.525 0.952 0.619 CB 1.825 22 residues pruned to eliminate duplicates Z: 23 38.649 2.292 1.110 0.537 0.864 0.455 CB 1.902 23 residues pruned to eliminate duplicates Z: 81 51.532 2.250 0.831 0.467 0.913 0.600 CB 1.585 81 residues pruned to eliminate duplicates Z: 29 48.505 2.241 1.254 0.556 0.964 0.643 CB 1.782 29 residues pruned to eliminate duplicates Z: 30 44.418 2.217 1.280 0.515 0.966 0.621 CB 1.665 30 residues pruned to eliminate duplicates Z: 79 56.599 2.292 0.915 0.480 0.923 0.603 CB 1.614 79 residues pruned to eliminate duplicates Z: 29 48.014 2.244 1.354 0.562 0.929 0.679 CB 1.742 29 residues pruned to eliminate duplicates Z: 44 37.712 2.041 0.939 0.493 0.977 0.605 CB 1.498 44 residues pruned to eliminate duplicates Z: 93 65.343 2.365 0.890 0.502 0.913 0.587 CB 1.665 93 residues pruned to eliminate duplicates Z: 96 65.183 2.343 0.914 0.480 0.926 0.547 CB 1.642 96 residues pruned to eliminate duplicates Z: 99 58.975 2.275 0.919 0.458 0.888 0.510 CB 1.606 99 residues pruned to eliminate duplicates Z: 98 71.453 2.356 0.936 0.517 0.938 0.639 CB 1.667 98 residues pruned to eliminate duplicates Z: 51 36.277 2.271 0.705 0.424 0.880 0.560 CB 1.629 51 residues pruned to eliminate duplicates Z: 48 56.035 2.408 0.988 0.552 0.957 0.681 CB 1.695 48 residues pruned to eliminate duplicates Z: 97 56.980 2.287 0.846 0.439 0.906 0.562 CB 1.619 97 residues pruned to eliminate duplicates Z: 75 48.665 2.321 0.796 0.463 0.905 0.608 CB 1.556 75 residues pruned to eliminate duplicates Z: 98 61.204 2.297 0.915 0.463 0.907 0.598 CB 1.617 98 residues pruned to eliminate duplicates Z: 95 58.997 2.354 0.762 0.492 0.904 0.617 CB 1.635 95 residues pruned to eliminate duplicates Z: 76 49.219 2.251 0.813 0.464 0.920 0.600 CB 1.570 76 residues pruned to eliminate duplicates Z: 49 39.403 2.320 0.809 0.462 0.896 0.604 CB 1.573 49 residues pruned to eliminate duplicates Z: 104 56.916 2.271 0.813 0.474 0.893 0.544 CB 1.565 104 residues pruned to eliminate duplicates Z: 77 53.303 2.307 0.880 0.484 0.882 0.605 CB 1.625 77 residues pruned to eliminate duplicates Z: 71 54.617 2.299 0.836 0.515 0.929 0.643 CB 1.641 71 residues pruned to eliminate duplicates Z: 76 51.248 2.270 0.829 0.489 0.907 0.573 CB 1.590 57 residues pruned to eliminate duplicates Z: 7 7.906 1.923 0.944 0.300 0.833 0.500 CA 1.295 7 residues pruned to eliminate duplicates Z: 103 63.880 2.310 0.921 0.485 0.873 0.578 CB 1.659 105 residues pruned to eliminate duplicates Z: 15 26.549 2.197 0.607 0.727 1.000 0.714 CA 1.638 15 residues pruned to eliminate duplicates Z: 67 47.488 2.258 0.838 0.452 0.909 0.576 CB 1.628 67 residues pruned to eliminate duplicates Z: 72 56.819 2.297 0.899 0.518 0.915 0.662 CB 1.659 72 residues pruned to eliminate duplicates Z: 75 52.546 2.333 0.786 0.477 0.932 0.527 CB 1.610 75 residues pruned to eliminate duplicates Z: 35 26.322 2.237 0.633 0.419 0.853 0.441 CB 1.577 35 residues pruned to eliminate duplicates Z: 114 63.607 2.261 0.873 0.503 0.894 0.575 CB 1.576 114 residues pruned to eliminate duplicates Z: 71 55.746 2.324 0.901 0.508 0.900 0.571 CB 1.662 71 residues pruned to eliminate duplicates Z: 36 21.875 2.253 0.504 0.352 0.914 0.486 CB 1.402 36 residues pruned to eliminate duplicates Z: 100 62.352 2.327 0.898 0.473 0.889 0.606 CB 1.641 100 residues pruned to eliminate duplicates Z: 74 50.507 2.338 0.767 0.486 0.904 0.658 CB 1.605 74 residues pruned to eliminate duplicates Z: 70 54.558 2.331 0.893 0.484 0.913 0.681 CB 1.657 70 residues pruned to eliminate duplicates Z: 35 28.797 2.257 0.609 0.415 0.971 0.529 CB 1.531 35 residues pruned to eliminate duplicates Z: 81 45.955 2.170 0.745 0.467 0.913 0.575 CB 1.537 81 residues pruned to eliminate duplicates Z: 34 28.899 2.290 0.683 0.473 0.939 0.545 CB 1.429 34 residues pruned to eliminate duplicates Z: 28 13.529 2.022 0.646 0.295 0.778 0.444 CB 1.266 28 residues pruned to eliminate duplicates Z: 19 15.212 2.115 0.660 0.382 0.778 0.611 CB 1.488 19 residues pruned to eliminate duplicates Z: 49 37.489 2.288 0.887 0.423 0.854 0.521 CB 1.589 49 residues pruned to eliminate duplicates Z: 37 24.307 2.185 0.607 0.398 0.889 0.528 CB 1.446 37 residues pruned to eliminate duplicates Z: 22 18.244 2.218 0.594 0.322 0.905 0.714 CB 1.513 22 residues pruned to eliminate duplicates Z: 36 28.496 2.250 0.700 0.438 0.886 0.686 CB 1.516 36 residues pruned to eliminate duplicates Z: 25 15.843 2.100 0.620 0.304 0.833 0.500 CB 1.419 25 residues pruned to eliminate duplicates Z: 25 15.268 2.067 0.632 0.298 0.833 0.667 CB 1.389 25 residues pruned to eliminate duplicates Z: 74 52.981 2.341 0.876 0.498 0.904 0.616 CB 1.565 74 residues pruned to eliminate duplicates Z: 35 25.167 2.262 0.662 0.385 0.882 0.500 CB 1.471 35 residues pruned to eliminate duplicates Z: 102 57.208 2.268 0.877 0.451 0.871 0.564 CB 1.613 102 residues pruned to eliminate duplicates Z: 24 18.744 2.053 0.660 0.390 0.826 0.739 CB 1.561 24 residues pruned to eliminate duplicates Z: 26 22.580 2.158 0.734 0.357 0.920 0.480 CB 1.530 26 residues pruned to eliminate duplicates Z: 23 17.320 2.114 0.713 0.360 0.864 0.545 CB 1.373 23 residues pruned to eliminate duplicates Z: 33 27.731 2.224 0.577 0.458 0.906 0.594 CB 1.609 33 residues pruned to eliminate duplicates Z: 34 27.621 2.264 0.561 0.472 0.939 0.576 CB 1.490 34 residues pruned to eliminate duplicates Z: 90 53.999 2.304 0.799 0.457 0.899 0.596 CB 1.606 90 residues pruned to eliminate duplicates Z: 8 9.435 2.083 0.765 0.243 0.857 0.571 CB 1.523 8 residues pruned to eliminate duplicates Z: 28 26.836 2.299 0.872 0.372 0.889 0.556 CB 1.548 28 residues pruned to eliminate duplicates Z: 26 36.190 2.361 0.941 0.579 0.920 0.520 CB 1.591 26 residues pruned to eliminate duplicates Z: 33 34.702 2.306 0.934 0.507 0.906 0.594 CB 1.507 33 residues pruned to eliminate duplicates Z: 27 32.083 2.354 0.918 0.551 0.846 0.462 CB 1.567 27 residues pruned to eliminate duplicates Z: 38 32.120 2.213 0.856 0.461 0.838 0.405 CB 1.597 38 residues pruned to eliminate duplicates Z: 28 31.236 2.315 0.919 0.520 0.815 0.444 CB 1.629 28 residues pruned to eliminate duplicates Z: 96 64.864 2.302 0.968 0.492 0.926 0.642 CB 1.598 96 residues pruned to eliminate duplicates Z: 23 44.437 2.467 1.010 0.592 0.955 0.500 CB 1.831 23 residues pruned to eliminate duplicates Z: 32 31.477 2.314 0.794 0.483 0.839 0.581 CB 1.651 32 residues pruned to eliminate duplicates Z: 60 55.606 2.335 0.926 0.531 0.932 0.576 CB 1.675 60 residues pruned to eliminate duplicates Z: 89 69.947 2.320 0.962 0.554 0.955 0.636 CB 1.628 91 residues pruned to eliminate duplicates Z: 14 37.299 2.231 0.912 0.919 1.000 0.692 CB 1.709 14 residues pruned to eliminate duplicates Z: 71 53.285 2.282 0.902 0.474 0.929 0.643 CB 1.623 71 residues pruned to eliminate duplicates Z: 28 35.775 2.385 0.947 0.567 0.889 0.593 CB 1.563 28 residues pruned to eliminate duplicates Z: 30 37.571 2.308 1.110 0.561 0.897 0.517 CB 1.507 30 residues pruned to eliminate duplicates Z: 27 39.624 2.398 1.003 0.565 0.923 0.654 CB 1.645 27 residues pruned to eliminate duplicates Z: 62 35.393 2.227 0.603 0.436 0.918 0.656 CB 1.477 62 residues pruned to eliminate duplicates Z: 26 41.306 2.423 1.097 0.590 0.880 0.600 CB 1.695 26 residues pruned to eliminate duplicates Z: 30 34.270 2.368 0.839 0.550 0.862 0.517 CB 1.615 30 residues pruned to eliminate duplicates Z: 27 43.775 2.407 1.151 0.552 0.923 0.462 CB 1.708 27 residues pruned to eliminate duplicates Z: 42 44.854 2.321 0.986 0.528 0.951 0.683 CB 1.554 42 residues pruned to eliminate duplicates Z: 54 38.226 2.158 0.840 0.529 0.868 0.623 CB 1.481 54 residues pruned to eliminate duplicates Z: 83 50.726 2.240 0.754 0.504 0.915 0.573 CB 1.552 83 residues pruned to eliminate duplicates Z: 41 32.646 2.186 0.725 0.524 0.875 0.575 CB 1.527 41 residues pruned to eliminate duplicates Z: 78 47.510 2.233 0.680 0.542 0.922 0.636 CB 1.503 78 residues pruned to eliminate duplicates Z: 17 9.271 1.778 0.309 0.458 0.875 0.500 CB 1.189 17 residues pruned to eliminate duplicates Z: 27 13.085 1.803 0.361 0.484 0.808 0.500 CB 1.316 27 residues pruned to eliminate duplicates Z: 40 34.484 2.200 0.800 0.511 0.923 0.513 CB 1.495 40 residues pruned to eliminate duplicates Z: 52 31.206 2.167 0.525 0.556 0.902 0.647 CB 1.389 52 residues pruned to eliminate duplicates Z: 50 34.606 2.199 0.504 0.574 0.939 0.714 CB 1.483 50 residues pruned to eliminate duplicates Z: 51 39.189 2.200 0.581 0.576 0.980 0.620 CB 1.511 51 residues pruned to eliminate duplicates Z: 53 35.800 2.159 0.599 0.545 0.904 0.635 CB 1.522 53 residues pruned to eliminate duplicates Z: 42 37.648 2.192 0.795 0.553 0.902 0.634 CB 1.572 42 residues pruned to eliminate duplicates Z: 52 32.085 2.174 0.454 0.551 0.941 0.706 CB 1.437 52 residues pruned to eliminate duplicates Z: 53 36.948 2.168 0.558 0.557 0.962 0.712 CB 1.492 53 residues pruned to eliminate duplicates Z: 53 32.503 2.144 0.491 0.551 0.942 0.673 CB 1.424 53 residues pruned to eliminate duplicates Z: 58 37.564 2.124 0.639 0.562 0.930 0.649 CB 1.448 58 residues pruned to eliminate duplicates Z: 52 32.712 2.183 0.458 0.566 0.941 0.725 CB 1.435 52 residues pruned to eliminate duplicates Z: 51 34.716 2.193 0.555 0.572 0.900 0.720 CB 1.492 51 residues pruned to eliminate duplicates Z: 77 42.639 2.185 0.593 0.538 0.908 0.605 CB 1.491 77 residues pruned to eliminate duplicates Z: 51 34.799 2.196 0.522 0.564 0.940 0.720 CB 1.472 51 residues pruned to eliminate duplicates Z: 26 20.444 2.167 0.301 0.576 0.880 0.520 CB 1.532 26 residues pruned to eliminate duplicates Z: 31 19.689 1.960 0.287 0.598 0.967 0.767 CB 1.343 31 residues pruned to eliminate duplicates Z: 51 32.785 2.163 0.464 0.572 0.980 0.700 CB 1.393 51 residues pruned to eliminate duplicates Z: 39 34.505 2.206 0.696 0.551 0.974 0.658 CB 1.462 39 residues pruned to eliminate duplicates Z: 51 30.700 2.152 0.507 0.537 0.920 0.660 CB 1.404 51 residues pruned to eliminate duplicates Z: 35 38.086 2.297 0.713 0.585 0.971 0.618 CB 1.576 35 residues pruned to eliminate duplicates Z: 50 37.851 2.198 0.577 0.568 0.980 0.673 CB 1.491 50 residues pruned to eliminate duplicates Z: 53 37.632 2.184 0.664 0.562 0.923 0.673 CB 1.465 53 residues pruned to eliminate duplicates Z: 96 57.014 2.248 0.799 0.516 0.926 0.653 CB 1.537 96 residues pruned to eliminate duplicates Z: 37 31.907 2.270 0.557 0.563 0.972 0.667 CB 1.456 37 residues pruned to eliminate duplicates Z: 38 34.479 2.271 0.704 0.559 0.892 0.622 CB 1.551 38 residues pruned to eliminate duplicates Z: 52 37.874 2.166 0.646 0.603 0.922 0.608 CB 1.463 52 residues pruned to eliminate duplicates Z: 51 29.612 2.148 0.521 0.515 0.900 0.580 CB 1.403 51 residues pruned to eliminate duplicates Z: 78 49.607 2.242 0.747 0.561 0.909 0.675 CB 1.496 78 residues pruned to eliminate duplicates Z: 52 34.550 2.156 0.591 0.526 0.922 0.549 CB 1.492 52 residues pruned to eliminate duplicates Z: 77 49.976 2.238 0.739 0.561 0.934 0.592 CB 1.485 77 residues pruned to eliminate duplicates Z: 54 40.170 2.168 0.762 0.562 0.943 0.604 CB 1.442 54 residues pruned to eliminate duplicates Z: 51 34.976 2.159 0.676 0.575 0.940 0.700 CB 1.353 51 residues pruned to eliminate duplicates Z: 52 37.019 2.165 0.677 0.572 0.941 0.647 CB 1.416 52 residues pruned to eliminate duplicates Z: 52 36.064 2.139 0.673 0.567 0.980 0.706 CB 1.349 52 residues pruned to eliminate duplicates Z: 98 55.106 2.207 0.803 0.535 0.918 0.598 CB 1.481 98 residues pruned to eliminate duplicates Z: 40 36.111 2.214 0.780 0.523 0.974 0.667 CB 1.472 40 residues pruned to eliminate duplicates Z: 37 33.493 2.265 0.674 0.533 0.944 0.472 CB 1.510 37 residues pruned to eliminate duplicates Z: 24 24.447 2.215 0.767 0.371 0.913 0.696 CB 1.639 24 residues pruned to eliminate duplicates Z: 47 33.575 2.134 0.665 0.566 0.913 0.543 CB 1.431 47 residues pruned to eliminate duplicates Z: 39 34.422 2.207 0.814 0.551 0.921 0.579 CB 1.441 39 residues pruned to eliminate duplicates Z: 52 33.122 2.118 0.667 0.518 0.941 0.608 CB 1.371 52 residues pruned to eliminate duplicates Z: 80 39.444 2.163 0.728 0.477 0.886 0.608 CB 1.372 80 residues pruned to eliminate duplicates Z: 20 30.780 2.295 1.089 0.478 0.947 0.632 CB 1.589 20 residues pruned to eliminate duplicates Z: 52 34.701 2.132 0.657 0.592 0.941 0.588 CB 1.338 52 residues pruned to eliminate duplicates Z: 78 52.044 2.212 0.816 0.604 0.922 0.701 CB 1.451 78 residues pruned to eliminate duplicates Z: 54 36.845 2.120 0.675 0.575 0.906 0.623 CB 1.464 54 residues pruned to eliminate duplicates Z: 15 7.287 1.615 0.347 0.481 0.786 0.571 CB 1.161 Z: 6 4.398 1.861 0.119 0.434 0.800 0.400 CB 1.264 6 residues pruned to eliminate duplicates Z: 13 7.773 1.740 0.375 0.476 0.833 0.750 CB 1.153 14 residues pruned to eliminate duplicates Z: 15 26.240 2.284 0.677 0.752 0.929 0.714 CB 1.575 15 residues pruned to eliminate duplicates Z: 23 43.450 2.446 1.063 0.540 0.909 0.455 CA 1.943 23 residues pruned to eliminate duplicates Z: 116 81.679 2.457 0.995 0.490 0.930 0.591 CB 1.687 116 residues pruned to eliminate duplicates Z: 116 76.429 2.455 0.913 0.475 0.913 0.609 CB 1.704 116 residues pruned to eliminate duplicates Z: 108 74.223 2.495 0.896 0.464 0.907 0.561 CB 1.736 108 residues pruned to eliminate duplicates Z: 72 62.543 2.547 0.911 0.491 0.873 0.507 CB 1.763 72 residues pruned to eliminate duplicates Z: 51 62.404 2.598 1.040 0.481 0.920 0.560 CB 1.845 51 residues pruned to eliminate duplicates Z: 73 57.766 2.505 0.979 0.469 0.861 0.514 CB 1.646 73 residues pruned to eliminate duplicates Z: 45 54.527 2.505 0.937 0.516 0.909 0.591 CB 1.835 45 residues pruned to eliminate duplicates Z: 116 76.169 2.475 0.839 0.509 0.896 0.600 CB 1.727 116 residues pruned to eliminate duplicates Z: 118 73.968 2.403 0.921 0.508 0.897 0.547 CB 1.637 118 residues pruned to eliminate duplicates Z: 68 53.446 2.401 0.880 0.437 0.881 0.522 CB 1.753 68 residues pruned to eliminate duplicates Z: 98 69.918 2.458 0.908 0.518 0.907 0.577 CB 1.639 98 residues pruned to eliminate duplicates Z: 48 62.759 2.604 1.028 0.467 0.957 0.596 CB 1.872 48 residues pruned to eliminate duplicates Z: 95 73.909 2.491 0.944 0.493 0.872 0.596 CB 1.817 95 residues pruned to eliminate duplicates Z: 73 61.455 2.503 1.023 0.468 0.875 0.611 CB 1.689 73 residues pruned to eliminate duplicates Z: 49 56.231 2.594 0.929 0.466 0.896 0.646 CB 1.873 49 residues pruned to eliminate duplicates Z: 73 63.272 2.534 0.906 0.474 0.903 0.667 CB 1.756 73 residues pruned to eliminate duplicates Z: 49 50.206 2.535 0.894 0.438 0.875 0.583 CB 1.839 49 residues pruned to eliminate duplicates Z: 44 61.176 2.600 0.995 0.536 0.930 0.628 CB 1.867 44 residues pruned to eliminate duplicates Z: 114 80.415 2.490 0.964 0.488 0.894 0.611 CB 1.752 114 residues pruned to eliminate duplicates Z: 39 57.272 2.597 1.032 0.517 0.895 0.632 CB 1.935 39 residues pruned to eliminate duplicates Z: 74 63.444 2.531 0.985 0.469 0.849 0.562 CB 1.796 74 residues pruned to eliminate duplicates Z: 91 71.990 2.479 0.942 0.486 0.922 0.611 CB 1.733 91 residues pruned to eliminate duplicates Z: 72 64.685 2.519 0.979 0.503 0.873 0.648 CB 1.758 72 residues pruned to eliminate duplicates Z: 38 33.435 2.428 0.822 0.366 0.811 0.514 CB 1.770 38 residues pruned to eliminate duplicates Z: 85 66.477 2.443 0.979 0.483 0.881 0.583 CB 1.732 85 residues pruned to eliminate duplicates Z: 45 66.741 2.588 1.087 0.550 0.955 0.682 CB 1.858 45 residues pruned to eliminate duplicates Z: 40 56.096 2.588 0.901 0.498 0.923 0.641 CB 1.982 40 residues pruned to eliminate duplicates Z: 49 57.260 2.595 1.007 0.469 0.896 0.604 CB 1.827 49 residues pruned to eliminate duplicates Z: 35 43.498 2.596 0.881 0.405 0.882 0.500 CB 1.914 35 residues pruned to eliminate duplicates Z: 56 51.159 2.491 1.066 0.444 0.836 0.545 CB 1.698 56 residues pruned to eliminate duplicates Z: 90 69.882 2.506 0.929 0.499 0.899 0.584 CB 1.706 90 residues pruned to eliminate duplicates Z: 34 48.012 2.600 1.022 0.446 0.848 0.576 CB 1.979 34 residues pruned to eliminate duplicates Z: 71 63.766 2.542 0.945 0.479 0.886 0.571 CB 1.777 71 residues pruned to eliminate duplicates Z: 36 38.604 2.518 0.836 0.385 0.829 0.543 CB 1.925 36 residues pruned to eliminate duplicates Z: 48 57.372 2.596 1.040 0.457 0.915 0.638 CB 1.804 48 residues pruned to eliminate duplicates Z: 49 49.202 2.501 0.863 0.489 0.896 0.562 CB 1.720 49 residues pruned to eliminate duplicates Z: 45 55.275 2.524 1.052 0.491 0.932 0.591 CB 1.743 45 residues pruned to eliminate duplicates Z: 68 64.387 2.525 1.055 0.476 0.866 0.582 CB 1.794 68 residues pruned to eliminate duplicates Z: 75 60.810 2.497 1.012 0.482 0.851 0.622 CB 1.682 75 residues pruned to eliminate duplicates Z: 89 76.255 2.539 0.993 0.510 0.898 0.625 CB 1.772 89 residues pruned to eliminate duplicates Z: 113 78.531 2.444 1.053 0.496 0.893 0.616 CB 1.663 113 residues pruned to eliminate duplicates Z: 85 75.940 2.436 1.074 0.534 0.940 0.631 CB 1.686 85 residues pruned to eliminate duplicates Z: 75 64.540 2.517 1.043 0.502 0.878 0.662 CB 1.657 75 residues pruned to eliminate duplicates Z: 49 63.561 2.601 1.096 0.508 0.938 0.625 CB 1.781 49 residues pruned to eliminate duplicates Z: 91 73.158 2.466 1.023 0.485 0.922 0.611 CB 1.702 91 residues pruned to eliminate duplicates Z: 37 42.440 2.496 0.810 0.428 0.944 0.556 CB 1.787 37 residues pruned to eliminate duplicates Z: 96 72.846 2.467 0.989 0.510 0.895 0.558 CB 1.685 96 residues pruned to eliminate duplicates Z: 64 67.982 2.551 1.133 0.481 0.905 0.635 CB 1.773 64 residues pruned to eliminate duplicates Z: 69 67.284 2.513 1.061 0.502 0.897 0.559 CB 1.753 69 residues pruned to eliminate duplicates Z: 91 76.920 2.487 1.052 0.484 0.933 0.589 CB 1.729 91 residues pruned to eliminate duplicates Z: 75 65.622 2.499 1.131 0.486 0.892 0.595 CB 1.630 75 residues pruned to eliminate duplicates Z: 31 34.301 2.441 0.998 0.464 0.833 0.467 CB 1.599 31 residues pruned to eliminate duplicates Z: 57 61.959 2.528 0.917 0.538 0.893 0.589 CB 1.844 57 residues pruned to eliminate duplicates Z: 29 33.859 2.330 0.948 0.556 0.893 0.393 CB 1.496 29 residues pruned to eliminate duplicates Z: 102 70.827 2.435 0.899 0.513 0.881 0.554 CB 1.708 42 residues pruned to eliminate duplicates Z: 13 40.603 2.353 1.038 0.916 1.000 0.833 CB 1.725 13 residues pruned to eliminate duplicates Z: 27 37.405 2.442 0.879 0.585 0.885 0.654 CB 1.666 26 residues pruned to eliminate duplicates Z: 14 34.252 2.261 1.011 0.888 0.923 0.385 CB 1.630 14 residues pruned to eliminate duplicates Z: 31 37.219 2.369 0.889 0.556 0.867 0.600 CB 1.660 31 residues pruned to eliminate duplicates Z: 13 37.998 2.328 1.076 0.849 0.917 0.500 CB 1.835 13 residues pruned to eliminate duplicates Z: 30 37.843 2.343 0.946 0.586 0.862 0.586 CB 1.647 30 residues pruned to eliminate duplicates Z: 28 43.883 2.367 0.986 0.552 0.963 0.556 CB 1.774 29 residues pruned to eliminate duplicates Z: 17 29.711 2.266 1.102 0.699 0.875 0.750 CB 1.486 17 residues pruned to eliminate duplicates Z: 32 41.045 2.438 1.073 0.506 0.903 0.548 CB 1.605 31 residues pruned to eliminate duplicates Z: 6 3.607 1.765 0.866 0.366 0.600 0.000 CA 0.943 Z: 7 7.011 1.653 0.788 0.389 1.000 0.333 CA 1.089 5 residues pruned to eliminate duplicates Z: 14 18.869 2.260 0.160 0.815 0.923 0.846 CB 1.645 14 residues pruned to eliminate duplicates Z: 43 50.624 2.416 0.810 0.602 0.952 0.738 CB 1.702 51 residues pruned to eliminate duplicates Z: 25 32.321 2.348 0.686 0.657 0.917 0.542 CB 1.572 25 residues pruned to eliminate duplicates Z: 22 19.302 2.157 0.449 0.629 0.857 0.619 CB 1.392 22 residues pruned to eliminate duplicates Z: 17 24.064 2.310 0.359 0.697 0.938 0.750 CB 1.709 17 residues pruned to eliminate duplicates Z: 18 20.556 2.194 0.373 0.697 0.882 0.824 CB 1.567 18 residues pruned to eliminate duplicates Z: 18 23.963 2.360 0.371 0.697 0.941 0.647 CB 1.595 18 residues pruned to eliminate duplicates Z: 20 26.206 2.212 0.533 0.728 0.947 0.579 CB 1.524 20 residues pruned to eliminate duplicates Z: 27 25.248 2.177 0.551 0.654 0.885 0.538 CB 1.436 27 residues pruned to eliminate duplicates Z: 18 26.780 2.285 0.506 0.694 1.000 0.647 CB 1.581 18 residues pruned to eliminate duplicates Z: 18 24.885 2.259 0.571 0.697 0.941 0.706 CB 1.510 18 residues pruned to eliminate duplicates Z: 20 27.057 2.244 0.592 0.690 0.947 0.632 CB 1.541 20 residues pruned to eliminate duplicates Z: 22 24.599 2.180 0.657 0.635 0.952 0.619 CB 1.375 22 residues pruned to eliminate duplicates Z: 19 28.969 2.242 0.650 0.711 1.000 0.611 CB 1.525 19 residues pruned to eliminate duplicates Z: 23 25.151 2.148 0.662 0.628 0.909 0.682 CB 1.465 23 residues pruned to eliminate duplicates Z: 58 36.213 2.146 0.533 0.587 0.895 0.684 CB 1.499 76 residues pruned to eliminate duplicates Z: 59 41.379 2.135 0.700 0.604 0.897 0.638 CB 1.512 59 residues pruned to eliminate duplicates Z: 51 32.853 2.149 0.427 0.563 0.920 0.720 CB 1.550 51 residues pruned to eliminate duplicates Z: 10 12.925 2.238 1.135 0.453 0.667 0.444 CB 1.419 10 residues pruned to eliminate duplicates Z: 40 20.846 1.950 0.553 0.475 0.821 0.641 CB 1.377 40 residues pruned to eliminate duplicates Z: 48 35.015 2.219 0.581 0.568 0.872 0.681 CB 1.562 48 residues pruned to eliminate duplicates Z: 42 29.420 2.038 0.654 0.574 0.878 0.634 CB 1.446 42 residues pruned to eliminate duplicates Z: 42 30.308 2.022 0.704 0.574 0.878 0.732 CB 1.458 42 residues pruned to eliminate duplicates Z: 28 28.568 2.253 0.670 0.607 0.889 0.630 CB 1.484 28 residues pruned to eliminate duplicates Z: 44 29.168 1.988 0.755 0.524 0.907 0.674 CB 1.372 44 residues pruned to eliminate duplicates Z: 61 32.871 2.057 0.543 0.561 0.867 0.667 CB 1.455 61 residues pruned to eliminate duplicates Z: 41 29.841 2.017 0.673 0.554 0.925 0.625 CB 1.433 41 residues pruned to eliminate duplicates Z: 21 24.452 2.025 0.618 0.590 0.950 0.700 CB 1.612 Z: 12 17.728 1.851 0.400 0.895 1.000 0.818 CA 1.479 11 residues pruned to eliminate duplicates Z: 12 12.766 1.866 0.396 0.798 0.818 0.545 CA 1.391 12 residues pruned to eliminate duplicates Z: 55 33.235 2.120 0.631 0.533 0.870 0.667 CB 1.455 77 residues pruned to eliminate duplicates Z: 58 37.859 2.087 0.680 0.586 0.895 0.719 CB 1.472 58 residues pruned to eliminate duplicates Z: 55 39.380 2.169 0.603 0.610 0.907 0.704 CB 1.530 55 residues pruned to eliminate duplicates Z: 31 23.779 2.128 0.706 0.466 0.833 0.567 CB 1.485 31 residues pruned to eliminate duplicates Z: 42 26.053 1.964 0.745 0.563 0.854 0.610 CB 1.308 42 residues pruned to eliminate duplicates Z: 42 31.814 2.020 0.706 0.559 0.927 0.683 CB 1.468 Z: 13 21.671 1.977 0.720 0.719 1.000 0.583 CA 1.510 13 residues pruned to eliminate duplicates Z: 23 22.100 2.003 0.602 0.563 0.864 0.545 CB 1.601 23 residues pruned to eliminate duplicates Z: 31 30.530 1.979 0.700 0.660 0.967 0.667 CB 1.477 31 residues pruned to eliminate duplicates Z: 42 25.712 2.032 0.555 0.541 0.878 0.610 CB 1.390 42 residues pruned to eliminate duplicates Z: 58 34.338 2.117 0.598 0.580 0.860 0.702 CB 1.448 100 residues pruned to eliminate duplicates Z: 31 30.975 1.991 0.745 0.667 0.967 0.767 CB 1.443 Z: 7 3.042 1.575 0.099 0.226 0.833 0.500 CB 1.186 7 residues pruned to eliminate duplicates Z: 58 39.770 2.128 0.767 0.587 0.877 0.684 CB 1.470 89 residues pruned to eliminate duplicates Z: 41 32.779 2.069 0.778 0.558 0.925 0.700 CB 1.439 41 residues pruned to eliminate duplicates Z: 42 30.613 2.003 0.756 0.558 0.927 0.707 CB 1.386 42 residues pruned to eliminate duplicates Z: 56 32.669 2.112 0.562 0.567 0.873 0.618 CB 1.433 56 residues pruned to eliminate duplicates Z: 45 28.981 1.993 0.739 0.512 0.909 0.591 CB 1.370 45 residues pruned to eliminate duplicates Z: 60 36.194 2.075 0.698 0.569 0.881 0.576 CB 1.420 60 residues pruned to eliminate duplicates Z: 41 30.981 2.028 0.684 0.574 0.925 0.700 CB 1.443 41 residues pruned to eliminate duplicates Z: 58 38.588 2.096 0.766 0.583 0.895 0.614 CB 1.425 58 residues pruned to eliminate duplicates Z: 59 40.244 2.120 0.725 0.600 0.897 0.741 CB 1.465 59 residues pruned to eliminate duplicates Z: 62 37.615 2.028 0.718 0.612 0.902 0.656 CB 1.379 62 residues pruned to eliminate duplicates Z: 57 39.023 2.112 0.732 0.578 0.911 0.679 CB 1.452 57 residues pruned to eliminate duplicates Z: 31 29.440 1.969 0.644 0.649 1.000 0.667 CB 1.445 Z: 11 14.616 1.787 0.696 0.762 1.000 0.400 CB 1.208 11 residues pruned to eliminate duplicates Z: 6 3.521 1.401 0.387 0.450 0.800 0.600 C 1.066 6 residues pruned to eliminate duplicates Z: 12 13.207 1.986 0.754 0.452 0.909 0.727 CB 1.321 12 residues pruned to eliminate duplicates Z: 93 64.941 2.455 0.794 0.458 0.924 0.533 CB 1.736 93 residues pruned to eliminate duplicates Z: 10 10.317 2.042 0.570 0.445 0.778 0.556 CB 1.460 10 residues pruned to eliminate duplicates Z: 21 24.361 2.186 0.731 0.420 1.000 0.600 CB 1.564 21 residues pruned to eliminate duplicates Z: 124 76.870 2.449 0.894 0.486 0.894 0.593 CB 1.695 133 residues pruned to eliminate duplicates Z: 7 7.810 1.656 0.783 0.484 1.000 0.667 CA 1.098 7 residues pruned to eliminate duplicates Z: 67 43.200 2.246 0.773 0.473 0.909 0.606 CB 1.510 98 residues pruned to eliminate duplicates Z: 108 78.931 2.485 0.931 0.501 0.916 0.589 CB 1.734 108 residues pruned to eliminate duplicates Z: 114 79.965 2.482 0.931 0.497 0.903 0.628 CB 1.745 114 residues pruned to eliminate duplicates Z: 43 43.767 2.303 0.812 0.482 0.976 0.571 CB 1.688 43 residues pruned to eliminate duplicates Z: 172 82.640 2.341 0.784 0.514 0.906 0.620 CB 1.646 172 residues pruned to eliminate duplicates Z: 114 81.147 2.480 0.942 0.487 0.920 0.646 CB 1.744 114 residues pruned to eliminate duplicates Z: 41 37.081 2.248 0.857 0.480 0.925 0.550 CB 1.550 41 residues pruned to eliminate duplicates Z: 91 73.055 2.487 0.905 0.480 0.933 0.633 CB 1.778 91 residues pruned to eliminate duplicates Z: 44 39.721 2.317 0.764 0.495 0.930 0.512 CB 1.601 44 residues pruned to eliminate duplicates Z: 86 72.317 2.453 0.884 0.508 0.941 0.659 CB 1.788 86 residues pruned to eliminate duplicates Z: 45 46.640 2.299 0.865 0.495 0.977 0.591 CB 1.686 45 residues pruned to eliminate duplicates Z: 27 34.319 2.326 0.811 0.513 0.885 0.538 CB 1.783 27 residues pruned to eliminate duplicates Z: 27 28.936 2.244 0.847 0.408 0.962 0.615 CB 1.569 27 residues pruned to eliminate duplicates Z: 86 68.121 2.452 0.887 0.500 0.906 0.612 CB 1.763 86 residues pruned to eliminate duplicates Z: 91 70.163 2.475 0.905 0.481 0.911 0.622 CB 1.756 91 residues pruned to eliminate duplicates Z: 116 78.622 2.439 0.967 0.486 0.904 0.583 CB 1.713 116 residues pruned to eliminate duplicates Z: 114 77.431 2.474 0.910 0.490 0.885 0.637 CB 1.759 114 residues pruned to eliminate duplicates Z: 72 36.622 2.188 0.697 0.423 0.831 0.577 CB 1.526 72 residues pruned to eliminate duplicates Z: 67 43.085 2.245 0.771 0.452 0.894 0.606 CB 1.568 67 residues pruned to eliminate duplicates Z: 75 68.787 2.552 0.896 0.486 0.892 0.595 CB 1.880 75 residues pruned to eliminate duplicates Z: 114 70.377 2.396 0.858 0.475 0.894 0.602 CB 1.707 114 residues pruned to eliminate duplicates Z: 114 78.327 2.479 0.938 0.476 0.894 0.593 CB 1.757 114 residues pruned to eliminate duplicates Z: 93 72.742 2.515 0.974 0.487 0.870 0.609 CB 1.780 93 residues pruned to eliminate duplicates Z: 43 38.480 2.272 0.825 0.455 0.929 0.619 CB 1.615 43 residues pruned to eliminate duplicates Z: 131 85.936 2.455 0.944 0.507 0.915 0.669 CB 1.714 131 residues pruned to eliminate duplicates Z: 30 19.128 1.731 0.467 0.674 0.966 0.897 CB 1.234 28 residues pruned to eliminate duplicates Z: 11 11.839 1.849 0.193 0.839 1.000 0.800 CB 1.267 11 residues pruned to eliminate duplicates Z: 28 16.727 1.743 0.525 0.586 0.889 0.556 CB 1.254 28 residues pruned to eliminate duplicates Z: 24 14.355 1.739 0.489 0.549 0.913 0.652 CB 1.206 24 residues pruned to eliminate duplicates Z: 13 10.993 1.790 0.337 0.635 0.917 0.500 CB 1.274 13 residues pruned to eliminate duplicates Z: 30 16.201 1.782 0.567 0.524 0.862 0.724 CB 1.220 30 residues pruned to eliminate duplicates Z: 11 14.179 1.785 0.320 0.900 0.900 0.700 CB 1.510 11 residues pruned to eliminate duplicates Z: 27 16.184 1.741 0.436 0.579 0.962 0.654 CB 1.224 27 residues pruned to eliminate duplicates Z: 20 12.221 1.733 0.313 0.541 0.947 0.684 CB 1.250 20 residues pruned to eliminate duplicates Z: 26 14.071 1.784 0.288 0.580 0.880 0.680 CB 1.289 26 residues pruned to eliminate duplicates Z: 22 11.544 1.664 0.409 0.427 0.952 0.619 CB 1.217 22 residues pruned to eliminate duplicates Z: 26 12.962 1.729 0.304 0.505 0.960 0.640 CB 1.191 26 residues pruned to eliminate duplicates Z: 10 11.672 1.759 0.621 0.584 0.889 0.778 CB 1.416 10 residues pruned to eliminate duplicates Z: 15 8.857 1.669 0.492 0.430 0.857 0.786 CB 1.192 15 residues pruned to eliminate duplicates Z: 14 8.122 1.693 0.479 0.445 0.769 0.692 CB 1.237 14 residues pruned to eliminate duplicates Z: 22 15.476 1.653 0.502 0.632 1.000 0.762 CB 1.202 22 residues pruned to eliminate duplicates Z: 23 16.233 1.802 0.512 0.525 0.955 0.636 CB 1.298 23 residues pruned to eliminate duplicates Z: 13 11.852 1.687 0.610 0.558 1.000 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 32 11.043 1.679 0.536 0.377 0.839 0.581 CB 1.046 32 residues pruned to eliminate duplicates Z: 22 17.358 1.675 0.724 0.597 1.000 0.857 CB 1.196 21 residues pruned to eliminate duplicates Z: 11 8.641 1.459 0.496 0.836 0.900 0.700 CA 1.041 11 residues pruned to eliminate duplicates Z: 24 13.222 1.614 0.596 0.596 0.913 0.652 CB 1.070 24 residues pruned to eliminate duplicates Z: 22 16.099 1.641 0.611 0.647 1.000 0.762 CB 1.159 22 residues pruned to eliminate duplicates Z: 29 16.833 1.700 0.596 0.583 0.893 0.536 CB 1.213 29 residues pruned to eliminate duplicates Z: 31 21.189 1.730 0.604 0.655 1.000 0.733 CB 1.207 31 residues pruned to eliminate duplicates Z: 11 11.196 1.483 0.713 0.932 1.000 0.400 CB 0.974 11 residues pruned to eliminate duplicates Z: 11 11.219 1.482 0.712 0.882 1.000 0.600 CB 1.012 11 residues pruned to eliminate duplicates Z: 22 16.471 1.650 0.645 0.627 1.000 0.714 CB 1.175 22 residues pruned to eliminate duplicates Z: 28 46.337 2.462 0.898 0.644 1.000 0.704 CB 1.668 28 residues pruned to eliminate duplicates Z: 30 44.798 2.414 0.992 0.643 0.897 0.621 CB 1.688 30 residues pruned to eliminate duplicates Z: 29 49.281 2.456 1.063 0.653 0.893 0.571 CB 1.786 35 residues pruned to eliminate duplicates Z: 29 52.470 2.454 1.078 0.632 0.964 0.500 CB 1.781 29 residues pruned to eliminate duplicates Z: 27 57.313 2.563 1.383 0.666 0.885 0.654 CB 1.783 27 residues pruned to eliminate duplicates Z: 28 47.550 2.481 1.025 0.642 0.926 0.519 CB 1.722 28 residues pruned to eliminate duplicates Z: 28 52.639 2.542 1.190 0.666 0.889 0.630 CB 1.756 28 residues pruned to eliminate duplicates Z: 27 51.426 2.554 1.070 0.671 0.923 0.577 CB 1.765 27 residues pruned to eliminate duplicates Z: 30 44.399 2.398 1.069 0.617 0.897 0.552 CB 1.660 30 residues pruned to eliminate duplicates Z: 29 49.855 2.451 1.109 0.658 0.929 0.607 CB 1.695 29 residues pruned to eliminate duplicates Z: 28 55.411 2.519 1.209 0.685 0.926 0.667 CB 1.746 28 residues pruned to eliminate duplicates Z: 30 51.722 2.431 1.192 0.646 0.931 0.586 CB 1.689 30 residues pruned to eliminate duplicates Z: 27 48.788 2.526 1.089 0.661 0.923 0.577 CB 1.692 27 residues pruned to eliminate duplicates Z: 28 52.398 2.477 1.237 0.663 0.889 0.630 CB 1.761 28 residues pruned to eliminate duplicates Z: 28 54.335 2.466 1.204 0.668 0.926 0.556 CB 1.780 28 residues pruned to eliminate duplicates Z: 28 57.296 2.527 1.223 0.703 0.926 0.667 CB 1.762 28 residues pruned to eliminate duplicates Z: 38 55.714 2.447 1.153 0.584 0.919 0.568 CB 1.746 38 residues pruned to eliminate duplicates Z: 27 57.968 2.557 1.250 0.685 0.923 0.692 CB 1.807 27 residues pruned to eliminate duplicates Z: 28 56.675 2.524 1.206 0.691 0.926 0.519 CB 1.776 28 residues pruned to eliminate duplicates Z: 28 51.571 2.486 1.147 0.690 0.926 0.556 CB 1.688 28 residues pruned to eliminate duplicates Z: 27 51.913 2.545 1.192 0.682 0.923 0.615 CB 1.673 27 residues pruned to eliminate duplicates Z: 30 52.239 2.401 1.176 0.646 0.931 0.586 CB 1.740 30 residues pruned to eliminate duplicates Z: 29 48.253 2.464 1.245 0.619 0.857 0.571 CB 1.719 29 residues pruned to eliminate duplicates Z: 27 59.228 2.531 1.272 0.706 0.962 0.577 CB 1.743 27 residues pruned to eliminate duplicates Z: 28 51.724 2.532 1.095 0.676 0.889 0.630 CB 1.794 28 residues pruned to eliminate duplicates 357 residues left after pruning, divided into chains as follows: A: 16 B: 13 C: 280 D: 9 E: 39 CC for partial structure against native data = 35.52 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.563, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.645, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.762, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.771, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.783, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 0.786, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.792, Connect. = 0.813 for dens.mod. cycle 7 = 0.300, Contrast = 0.793, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.795, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.795, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2131 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 523 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 27.684 2.234 0.528 0.826 0.933 0.733 CB 1.692 B: 12 25.700 2.290 0.632 0.864 0.909 0.818 CB 1.671 11 residues pruned to eliminate duplicates C: 12 25.786 2.409 0.701 0.798 0.818 0.727 CA 1.786 12 residues pruned to eliminate duplicates D: 15 31.130 2.201 0.693 0.850 0.929 0.786 CA 1.782 17 residues pruned to eliminate duplicates E: 14 36.098 2.247 1.100 0.909 0.846 0.769 CA 1.780 F: 12 29.471 2.464 0.430 0.879 0.909 0.909 CA 2.011 13 residues pruned to eliminate duplicates G: 12 27.862 2.428 0.390 0.854 1.000 0.818 CA 1.839 12 residues pruned to eliminate duplicates H: 14 28.942 2.227 0.627 0.912 0.923 0.692 CA 1.700 14 residues pruned to eliminate duplicates I: 8 17.684 2.072 0.462 0.876 1.000 0.857 CB 1.604 J: 14 28.623 2.350 0.562 0.858 0.846 0.769 CA 1.883 14 residues pruned to eliminate duplicates K: 14 33.261 2.267 0.950 0.818 0.923 0.615 CB 1.715 L: 73 69.025 2.529 1.004 0.513 0.917 0.639 CB 1.728 36 residues pruned to eliminate duplicates M: 14 28.214 2.359 0.626 0.858 0.846 0.846 CA 1.776 14 residues pruned to eliminate duplicates N: 16 22.477 2.044 0.492 0.834 0.933 0.800 CA 1.529 O: 12 23.839 2.416 0.192 0.920 1.000 0.909 CB 1.758 P: 28 39.204 2.309 1.037 0.653 0.889 0.556 CB 1.565 Q: 35 44.627 2.189 1.188 0.639 0.912 0.471 CB 1.539 28 residues pruned to eliminate duplicates R: 13 36.819 2.420 0.755 0.866 1.000 0.917 CA 1.832 14 residues pruned to eliminate duplicates S: 59 42.867 2.334 0.844 0.476 0.862 0.569 CB 1.554 28 residues pruned to eliminate duplicates T: 16 26.076 2.239 0.280 0.850 1.000 0.800 CB 1.741 U: 16 21.230 2.173 0.323 0.834 1.000 0.867 CB 1.429 V: 12 33.643 2.452 0.875 0.826 0.909 0.818 CA 1.830 12 residues pruned to eliminate duplicates W: 17 22.069 2.007 0.575 0.804 0.875 0.750 CA 1.531 16 residues pruned to eliminate duplicates X: 8 7.222 1.772 0.536 0.548 0.714 0.429 CB 1.339 8 residues pruned to eliminate duplicates Y: 15 32.040 2.109 0.879 0.899 1.000 0.786 CA 1.545 15 residues pruned to eliminate duplicates Z: 13 45.033 2.416 1.015 0.905 0.917 0.833 CB 2.074 12 residues pruned to eliminate duplicates Z: 14 32.312 2.281 0.813 0.878 0.923 0.846 CA 1.703 14 residues pruned to eliminate duplicates Z: 7 15.781 1.966 0.718 0.672 1.000 0.500 CA 1.627 Z: 28 42.347 2.408 0.961 0.573 0.926 0.519 CB 1.737 63 residues pruned to eliminate duplicates Z: 17 23.648 2.182 0.469 0.764 0.875 0.750 CB 1.668 17 residues pruned to eliminate duplicates Z: 13 26.399 2.207 1.071 0.806 0.917 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 14 40.758 2.281 0.989 0.904 0.923 0.692 CA 1.923 14 residues pruned to eliminate duplicates Z: 7 16.442 2.226 0.753 0.570 0.833 0.500 CB 1.929 7 residues pruned to eliminate duplicates Z: 37 29.413 2.184 0.659 0.537 0.944 0.667 CB 1.382 Z: 13 35.900 2.381 0.883 0.875 0.917 0.750 CA 1.834 Z: 17 25.678 2.327 1.105 0.436 0.812 0.688 CB 1.723 Z: 15 34.063 2.189 0.852 0.874 0.929 0.714 CB 1.761 15 residues pruned to eliminate duplicates Z: 14 32.911 2.213 0.763 0.891 1.000 0.846 CB 1.682 14 residues pruned to eliminate duplicates Z: 6 4.541 1.879 -0.080 0.746 0.800 0.600 CA 1.179 Z: 24 25.569 2.089 1.180 0.419 0.957 0.652 CB 1.332 19 residues pruned to eliminate duplicates Z: 8 4.941 1.673 0.475 0.420 0.714 0.429 CA 1.151 8 residues pruned to eliminate duplicates Z: 14 30.842 2.228 0.903 0.864 0.923 0.692 CB 1.603 13 residues pruned to eliminate duplicates Z: 12 30.040 2.384 0.483 0.916 1.000 0.909 CA 1.810 12 residues pruned to eliminate duplicates Z: 37 32.865 2.244 0.670 0.570 0.944 0.639 CB 1.447 38 residues pruned to eliminate duplicates Z: 15 25.608 2.287 0.401 0.816 1.000 0.714 CB 1.623 15 residues pruned to eliminate duplicates Z: 16 30.286 2.105 1.089 0.831 0.867 0.467 CB 1.541 16 residues pruned to eliminate duplicates Z: 14 29.317 2.339 0.739 0.799 0.846 0.615 CB 1.819 14 residues pruned to eliminate duplicates Z: 91 68.131 2.472 0.868 0.466 0.922 0.611 CB 1.746 91 residues pruned to eliminate duplicates Z: 6 5.695 1.862 0.147 0.734 0.800 0.600 CA 1.207 6 residues pruned to eliminate duplicates Z: 17 26.338 2.112 0.568 0.829 0.938 0.688 CA 1.596 34 residues pruned to eliminate duplicates Z: 101 65.457 2.348 0.864 0.476 0.930 0.560 CB 1.647 40 residues pruned to eliminate duplicates Z: 19 22.734 2.066 0.515 0.754 0.889 0.556 CB 1.536 17 residues pruned to eliminate duplicates Z: 16 20.591 2.100 0.708 0.884 0.867 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 14 33.733 2.211 0.852 0.865 1.000 0.769 CB 1.674 14 residues pruned to eliminate duplicates Z: 13 35.913 2.347 0.966 0.851 0.917 0.750 CB 1.814 13 residues pruned to eliminate duplicates Z: 7 16.383 1.957 0.845 0.673 1.000 0.667 C 1.579 7 residues pruned to eliminate duplicates Z: 34 34.480 2.288 0.949 0.573 0.879 0.576 CB 1.427 37 residues pruned to eliminate duplicates Z: 18 25.515 2.167 0.404 0.852 1.000 0.824 CB 1.504 18 residues pruned to eliminate duplicates Z: 70 70.614 2.558 1.026 0.486 0.913 0.609 CB 1.822 70 residues pruned to eliminate duplicates Z: 16 26.112 2.165 0.738 0.839 0.867 0.667 CB 1.544 16 residues pruned to eliminate duplicates Z: 23 25.178 2.259 0.909 0.523 0.909 0.500 CB 1.339 23 residues pruned to eliminate duplicates Z: 37 35.915 2.258 0.854 0.584 0.944 0.556 CB 1.396 34 residues pruned to eliminate duplicates Z: 12 36.416 2.345 1.133 0.887 0.909 0.545 CA 1.741 12 residues pruned to eliminate duplicates Z: 15 26.356 2.179 0.718 0.883 1.000 0.786 CB 1.361 12 residues pruned to eliminate duplicates Z: 14 33.804 2.504 1.203 0.491 0.923 0.615 CA 1.857 17 residues pruned to eliminate duplicates Z: 16 28.022 2.181 0.465 0.868 0.933 0.667 CA 1.774 16 residues pruned to eliminate duplicates Z: 14 39.736 2.322 0.899 0.921 1.000 0.923 CA 1.758 14 residues pruned to eliminate duplicates Z: 16 18.589 2.177 0.243 0.793 0.933 0.667 CB 1.470 16 residues pruned to eliminate duplicates Z: 67 41.989 2.240 0.792 0.419 0.924 0.515 CB 1.516 108 residues pruned to eliminate duplicates Z: 72 71.313 2.564 1.022 0.511 0.901 0.563 CB 1.791 72 residues pruned to eliminate duplicates Z: 10 16.029 1.994 0.495 0.869 0.889 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 74 62.437 2.545 0.951 0.470 0.836 0.534 CB 1.817 74 residues pruned to eliminate duplicates Z: 32 32.006 2.327 0.899 0.486 0.871 0.645 CB 1.516 32 residues pruned to eliminate duplicates Z: 84 61.869 2.479 0.904 0.476 0.880 0.530 CB 1.676 91 residues pruned to eliminate duplicates Z: 66 66.168 2.550 0.855 0.541 0.877 0.615 CB 1.901 66 residues pruned to eliminate duplicates Z: 10 17.010 2.229 0.370 0.810 0.889 0.889 CA 1.595 10 residues pruned to eliminate duplicates Z: 15 23.310 2.245 0.651 0.743 0.929 0.643 CB 1.457 15 residues pruned to eliminate duplicates Z: 13 26.854 2.280 0.844 0.833 0.833 0.583 CA 1.660 13 residues pruned to eliminate duplicates Z: 16 23.566 2.141 0.339 0.826 1.000 0.533 CB 1.601 16 residues pruned to eliminate duplicates Z: 16 24.310 2.004 0.769 0.857 0.867 0.667 CB 1.505 16 residues pruned to eliminate duplicates Z: 15 25.103 2.286 0.605 0.841 0.786 0.571 CA 1.735 15 residues pruned to eliminate duplicates Z: 14 30.847 2.076 0.870 0.942 1.000 0.846 CA 1.528 14 residues pruned to eliminate duplicates Z: 17 16.470 2.017 0.249 0.880 0.938 0.812 CB 1.264 Z: 14 37.853 2.241 0.991 0.916 0.923 0.769 CA 1.800 14 residues pruned to eliminate duplicates Z: 115 76.817 2.483 0.901 0.465 0.904 0.561 CB 1.748 115 residues pruned to eliminate duplicates Z: 27 23.019 2.191 0.787 0.375 0.923 0.692 CB 1.428 27 residues pruned to eliminate duplicates Z: 8 6.501 1.746 0.417 0.511 0.714 0.286 C 1.375 8 residues pruned to eliminate duplicates Z: 74 50.792 2.348 0.710 0.504 0.918 0.603 CB 1.606 74 residues pruned to eliminate duplicates Z: 62 51.016 2.346 0.918 0.500 0.885 0.590 CB 1.639 63 residues pruned to eliminate duplicates Z: 11 24.949 2.252 0.393 0.880 1.000 0.900 CB 1.822 11 residues pruned to eliminate duplicates Z: 18 32.705 2.174 0.718 0.803 1.000 0.471 CB 1.630 18 residues pruned to eliminate duplicates Z: 74 67.298 2.577 0.967 0.489 0.890 0.575 CB 1.764 74 residues pruned to eliminate duplicates Z: 16 19.335 2.101 0.377 0.768 0.933 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 65 57.074 2.338 0.851 0.500 0.953 0.562 CB 1.730 65 residues pruned to eliminate duplicates Z: 32 38.822 2.240 0.884 0.611 0.935 0.581 CB 1.589 17 residues pruned to eliminate duplicates Z: 16 23.431 2.200 0.544 0.808 0.933 0.667 CB 1.458 16 residues pruned to eliminate duplicates Z: 17 23.596 1.984 0.583 0.816 0.938 0.625 CA 1.522 17 residues pruned to eliminate duplicates Z: 58 58.025 2.343 0.981 0.545 0.947 0.684 CB 1.673 57 residues pruned to eliminate duplicates Z: 12 33.113 2.346 0.691 0.932 1.000 0.818 CA 1.757 12 residues pruned to eliminate duplicates Z: 16 28.929 2.266 0.555 0.837 0.867 0.600 CA 1.830 16 residues pruned to eliminate duplicates Z: 15 27.524 2.084 1.183 0.887 0.857 0.571 CB 1.360 Z: 13 33.556 2.319 0.667 0.891 1.000 0.583 CA 1.802 13 residues pruned to eliminate duplicates Z: 10 26.886 2.124 0.862 0.860 1.000 0.778 CB 1.666 10 residues pruned to eliminate duplicates Z: 51 50.722 2.492 0.884 0.477 0.900 0.640 CB 1.737 51 residues pruned to eliminate duplicates Z: 40 20.862 1.844 0.598 0.551 0.821 0.590 CB 1.315 Z: 15 15.753 2.077 0.255 0.782 0.857 0.643 CB 1.469 15 residues pruned to eliminate duplicates Z: 27 51.115 2.372 1.307 0.719 0.923 0.846 CB 1.628 42 residues pruned to eliminate duplicates Z: 6 9.796 2.164 0.556 0.569 0.800 0.400 CA 1.521 6 residues pruned to eliminate duplicates Z: 8 7.984 1.889 0.916 0.574 0.714 0.571 CB 1.087 Z: 16 25.468 1.998 0.893 0.909 1.000 0.733 CB 1.234 Z: 16 26.420 2.024 0.958 0.853 0.867 0.667 CA 1.468 16 residues pruned to eliminate duplicates Z: 15 27.202 2.036 0.905 0.863 0.857 0.571 CB 1.604 15 residues pruned to eliminate duplicates Z: 12 32.476 2.321 0.779 0.927 1.000 1.000 CB 1.662 12 residues pruned to eliminate duplicates Z: 91 67.039 2.474 0.861 0.470 0.900 0.556 CB 1.758 91 residues pruned to eliminate duplicates Z: 87 48.229 2.209 0.715 0.478 0.895 0.616 CB 1.567 87 residues pruned to eliminate duplicates Z: 68 68.604 2.575 0.952 0.485 0.910 0.582 CB 1.859 68 residues pruned to eliminate duplicates Z: 15 21.988 2.278 0.428 0.831 0.857 0.786 CB 1.584 15 residues pruned to eliminate duplicates Z: 31 39.049 2.246 1.097 0.651 0.867 0.667 CB 1.517 47 residues pruned to eliminate duplicates Z: 11 32.962 2.455 0.734 0.829 0.900 0.900 CA 2.046 11 residues pruned to eliminate duplicates Z: 29 24.765 2.136 0.603 0.608 0.893 0.607 CB 1.382 28 residues pruned to eliminate duplicates Z: 16 25.275 2.148 0.690 0.916 0.933 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 16 24.777 2.122 0.536 0.936 1.000 0.867 CB 1.367 16 residues pruned to eliminate duplicates Z: 17 21.306 2.114 0.214 0.817 1.000 0.750 CB 1.576 17 residues pruned to eliminate duplicates Z: 17 23.148 2.085 0.651 0.825 0.812 0.750 CA 1.561 17 residues pruned to eliminate duplicates Z: 12 36.559 2.373 1.013 0.858 1.000 0.818 CB 1.699 12 residues pruned to eliminate duplicates Z: 9 11.038 1.886 0.458 0.722 0.875 0.625 CB 1.328 9 residues pruned to eliminate duplicates Z: 14 20.709 2.128 0.257 0.838 1.000 0.846 CB 1.605 14 residues pruned to eliminate duplicates Z: 26 27.791 2.262 0.628 0.631 0.880 0.600 CB 1.516 26 residues pruned to eliminate duplicates Z: 16 23.380 2.147 0.573 0.840 0.933 0.867 CB 1.430 16 residues pruned to eliminate duplicates Z: 16 23.075 2.186 0.340 0.841 0.933 0.733 CB 1.624 16 residues pruned to eliminate duplicates Z: 35 47.847 2.552 0.933 0.446 0.882 0.529 CB 1.993 35 residues pruned to eliminate duplicates Z: 47 37.464 2.285 0.777 0.461 0.913 0.543 CB 1.551 62 residues pruned to eliminate duplicates Z: 14 22.842 2.139 0.640 0.835 0.923 0.846 CA 1.465 14 residues pruned to eliminate duplicates Z: 6 6.471 1.747 0.436 0.677 1.000 1.000 CA 0.979 6 residues pruned to eliminate duplicates Z: 13 32.193 2.363 0.810 0.881 0.833 0.500 CA 1.888 13 residues pruned to eliminate duplicates Z: 16 25.181 2.169 0.392 0.854 0.933 0.733 CB 1.704 16 residues pruned to eliminate duplicates Z: 16 15.525 2.058 0.813 0.435 0.867 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 15 20.404 2.152 0.460 0.796 0.857 0.571 CB 1.562 15 residues pruned to eliminate duplicates Z: 92 65.352 2.445 0.866 0.489 0.912 0.637 CB 1.664 93 residues pruned to eliminate duplicates Z: 26 45.246 2.345 1.164 0.675 0.960 0.720 CB 1.581 Z: 16 19.424 2.165 0.381 0.813 0.933 0.800 CB 1.369 16 residues pruned to eliminate duplicates Z: 15 25.837 2.155 0.421 0.844 1.000 0.714 CB 1.678 15 residues pruned to eliminate duplicates Z: 80 57.766 2.301 0.905 0.474 0.937 0.595 CB 1.626 82 residues pruned to eliminate duplicates Z: 70 72.941 2.557 1.008 0.503 0.913 0.565 CB 1.868 70 residues pruned to eliminate duplicates Z: 83 65.251 2.388 0.980 0.451 0.939 0.598 CB 1.707 83 residues pruned to eliminate duplicates Z: 16 21.500 2.144 0.291 0.926 1.000 0.733 CB 1.406 16 residues pruned to eliminate duplicates Z: 23 20.086 2.063 0.491 0.611 0.909 0.727 CB 1.379 23 residues pruned to eliminate duplicates Z: 16 22.920 2.285 0.808 0.697 0.800 0.600 CB 1.496 16 residues pruned to eliminate duplicates Z: 25 20.276 2.004 0.549 0.613 0.833 0.625 CB 1.437 33 residues pruned to eliminate duplicates Z: 17 16.417 2.069 0.366 0.882 0.938 0.562 CB 1.121 17 residues pruned to eliminate duplicates Z: 18 16.695 1.972 0.313 0.856 0.941 0.882 CB 1.225 18 residues pruned to eliminate duplicates Z: 14 23.168 2.340 0.387 0.825 1.000 0.769 CB 1.494 14 residues pruned to eliminate duplicates Z: 13 29.902 2.319 0.826 0.834 0.833 0.417 CB 1.834 13 residues pruned to eliminate duplicates Z: 52 35.860 2.262 0.751 0.493 0.804 0.647 CB 1.588 52 residues pruned to eliminate duplicates Z: 21 28.268 2.305 0.861 0.661 0.800 0.550 CB 1.586 21 residues pruned to eliminate duplicates Z: 25 26.787 2.307 0.769 0.487 0.833 0.583 CB 1.630 25 residues pruned to eliminate duplicates Z: 16 21.809 1.994 0.620 0.810 0.867 0.733 CB 1.536 16 residues pruned to eliminate duplicates Z: 8 9.182 1.646 0.284 0.712 1.000 0.714 CB 1.354 8 residues pruned to eliminate duplicates Z: 8 9.794 1.840 0.412 0.858 0.857 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 9 9.734 2.081 0.777 0.515 0.750 0.625 CB 1.222 9 residues pruned to eliminate duplicates Z: 50 35.819 2.316 0.621 0.465 0.918 0.633 CB 1.539 50 residues pruned to eliminate duplicates Z: 6 6.822 1.808 0.609 0.619 0.800 0.800 CB 1.171 6 residues pruned to eliminate duplicates Z: 113 79.900 2.492 0.859 0.498 0.911 0.598 CB 1.792 113 residues pruned to eliminate duplicates Z: 26 43.963 2.464 1.044 0.629 0.920 0.400 CB 1.680 26 residues pruned to eliminate duplicates Z: 10 11.035 1.736 0.525 0.779 0.778 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 26 49.076 2.331 1.304 0.724 0.960 0.720 CB 1.555 26 residues pruned to eliminate duplicates Z: 21 16.406 1.792 0.647 0.601 0.900 0.600 CB 1.254 21 residues pruned to eliminate duplicates Z: 46 50.606 2.499 1.012 0.456 0.889 0.622 CB 1.767 46 residues pruned to eliminate duplicates Z: 27 36.600 2.431 0.846 0.589 0.846 0.500 CB 1.736 27 residues pruned to eliminate duplicates Z: 9 14.522 1.844 0.409 0.890 1.000 0.750 CB 1.422 9 residues pruned to eliminate duplicates Z: 11 13.634 1.822 0.613 0.779 0.900 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 42 24.244 2.221 0.633 0.336 0.854 0.512 CB 1.463 42 residues pruned to eliminate duplicates Z: 73 65.630 2.476 0.900 0.450 0.931 0.583 CB 1.860 73 residues pruned to eliminate duplicates Z: 12 11.693 1.669 0.400 0.767 0.909 0.727 CB 1.310 12 residues pruned to eliminate duplicates Z: 24 26.615 2.181 0.833 0.456 1.000 0.696 CB 1.453 23 residues pruned to eliminate duplicates Z: 9 7.670 1.857 0.740 0.523 0.750 0.750 CB 1.093 Z: 15 21.937 2.052 0.806 0.902 0.857 0.643 CB 1.317 14 residues pruned to eliminate duplicates Z: 16 18.536 2.154 0.479 0.894 0.867 0.600 CB 1.243 16 residues pruned to eliminate duplicates Z: 16 27.002 2.285 0.811 0.751 0.867 0.733 CB 1.554 16 residues pruned to eliminate duplicates Z: 76 42.779 2.323 0.629 0.468 0.880 0.600 CB 1.533 76 residues pruned to eliminate duplicates Z: 51 56.769 2.525 0.939 0.462 0.940 0.580 CB 1.813 51 residues pruned to eliminate duplicates Z: 6 3.725 1.282 0.249 0.714 1.000 0.600 N 0.856 6 residues pruned to eliminate duplicates Z: 73 50.185 2.220 0.782 0.516 0.931 0.583 CB 1.582 59 residues pruned to eliminate duplicates Z: 115 75.738 2.468 0.896 0.481 0.912 0.596 CB 1.694 115 residues pruned to eliminate duplicates Z: 10 10.229 1.828 0.129 0.867 0.889 0.889 CB 1.361 10 residues pruned to eliminate duplicates Z: 6 18.800 2.285 0.725 0.748 1.000 0.600 CB 1.709 6 residues pruned to eliminate duplicates Z: 16 22.441 2.109 0.300 0.910 1.000 0.867 CB 1.499 16 residues pruned to eliminate duplicates Z: 11 10.131 1.774 0.205 0.864 0.800 0.800 CB 1.374 Z: 16 23.984 2.222 0.455 0.859 0.933 0.733 CB 1.510 16 residues pruned to eliminate duplicates Z: 20 48.182 2.447 1.106 0.733 0.947 0.842 CB 1.836 20 residues pruned to eliminate duplicates Z: 7 8.876 1.944 0.080 0.865 1.000 0.833 CB 1.264 7 residues pruned to eliminate duplicates Z: 23 22.525 2.132 0.704 0.452 0.955 0.682 CB 1.455 23 residues pruned to eliminate duplicates Z: 16 18.815 2.143 0.439 0.896 0.933 0.667 CB 1.209 16 residues pruned to eliminate duplicates Z: 15 17.298 2.067 0.549 0.558 1.000 0.643 CB 1.364 15 residues pruned to eliminate duplicates Z: 13 7.577 1.809 0.132 0.490 0.833 0.417 CB 1.295 13 residues pruned to eliminate duplicates Z: 20 17.541 1.984 0.696 0.433 0.895 0.632 CB 1.432 20 residues pruned to eliminate duplicates Z: 15 7.450 1.672 0.251 0.403 0.929 0.429 CB 1.137 15 residues pruned to eliminate duplicates Z: 10 10.845 2.001 0.402 0.507 1.000 0.667 CB 1.279 10 residues pruned to eliminate duplicates Z: 11 13.293 1.744 0.229 0.874 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 15 25.050 2.280 0.363 0.809 1.000 0.714 CB 1.645 15 residues pruned to eliminate duplicates Z: 8 15.898 1.790 0.854 0.695 1.000 0.429 CB 1.515 8 residues pruned to eliminate duplicates Z: 19 29.283 2.167 0.546 0.782 1.000 0.722 CB 1.607 20 residues pruned to eliminate duplicates Z: 28 38.505 2.252 1.031 0.511 0.926 0.630 CA 1.730 24 residues pruned to eliminate duplicates Z: 9 9.548 1.561 0.664 0.866 0.875 0.750 CB 1.087 8 residues pruned to eliminate duplicates Z: 20 13.804 2.020 0.540 0.344 0.895 0.526 CB 1.347 20 residues pruned to eliminate duplicates Z: 7 2.292 1.523 -0.307 0.650 1.000 0.667 CB 0.771 Z: 35 25.212 2.281 0.557 0.461 0.882 0.647 CB 1.435 35 residues pruned to eliminate duplicates Z: 8 13.036 1.719 0.540 0.884 1.000 0.714 CB 1.344 8 residues pruned to eliminate duplicates Z: 9 10.392 1.537 0.485 0.915 1.000 1.000 CB 1.138 9 residues pruned to eliminate duplicates Z: 115 80.947 2.499 0.884 0.486 0.904 0.623 CB 1.807 115 residues pruned to eliminate duplicates Z: 28 43.232 2.376 0.985 0.615 0.926 0.481 CB 1.709 28 residues pruned to eliminate duplicates Z: 18 21.816 2.174 0.518 0.791 0.824 0.588 CB 1.508 18 residues pruned to eliminate duplicates Z: 29 40.696 2.239 0.993 0.602 0.929 0.536 CB 1.684 29 residues pruned to eliminate duplicates Z: 8 7.496 1.637 0.520 0.791 0.714 0.714 CB 1.235 8 residues pruned to eliminate duplicates Z: 71 65.273 2.552 0.846 0.490 0.886 0.586 CB 1.888 71 residues pruned to eliminate duplicates Z: 19 26.345 2.128 0.651 0.827 0.944 0.778 CB 1.410 19 residues pruned to eliminate duplicates Z: 25 40.750 2.388 0.920 0.605 0.958 0.750 CB 1.713 25 residues pruned to eliminate duplicates Z: 114 61.377 2.270 0.863 0.490 0.867 0.637 CB 1.590 114 residues pruned to eliminate duplicates Z: 12 13.318 1.726 0.360 0.813 0.909 0.727 CB 1.433 11 residues pruned to eliminate duplicates Z: 8 6.151 1.650 0.087 0.870 0.857 0.571 CB 1.104 8 residues pruned to eliminate duplicates Z: 12 28.333 2.275 0.715 0.834 0.909 0.636 CB 1.805 12 residues pruned to eliminate duplicates Z: 10 12.650 1.882 0.152 0.895 1.000 0.778 CB 1.394 11 residues pruned to eliminate duplicates Z: 12 24.825 2.223 0.566 0.902 1.000 0.545 CB 1.534 12 residues pruned to eliminate duplicates Z: 15 7.585 1.736 0.213 0.420 0.929 0.357 CB 1.127 Z: 9 13.057 1.727 0.377 0.862 1.000 0.750 CA 1.425 9 residues pruned to eliminate duplicates Z: 14 6.150 1.682 0.583 0.321 0.769 0.462 CB 1.015 14 residues pruned to eliminate duplicates Z: 6 12.062 2.250 0.988 0.591 0.800 0.800 CB 1.381 6 residues pruned to eliminate duplicates Z: 12 11.039 1.627 0.300 0.790 1.000 0.727 CB 1.220 Z: 15 19.071 2.156 0.754 0.930 0.857 0.286 CB 1.100 15 residues pruned to eliminate duplicates Z: 52 51.273 2.391 0.883 0.549 0.882 0.667 CB 1.723 52 residues pruned to eliminate duplicates Z: 14 19.755 2.022 0.468 0.798 0.923 0.692 CA 1.541 14 residues pruned to eliminate duplicates Z: 8 3.500 1.696 -0.067 0.405 0.714 0.143 CA 1.293 Z: 12 18.793 2.072 0.532 0.825 1.000 0.636 CB 1.348 12 residues pruned to eliminate duplicates Z: 25 39.263 2.348 0.899 0.560 0.958 0.542 CB 1.769 25 residues pruned to eliminate duplicates Z: 27 28.498 2.217 0.604 0.635 0.885 0.615 CB 1.565 27 residues pruned to eliminate duplicates Z: 38 34.949 2.236 0.715 0.517 0.919 0.649 CB 1.603 38 residues pruned to eliminate duplicates Z: 27 13.295 1.770 0.295 0.549 0.885 0.654 CB 1.226 13 residues pruned to eliminate duplicates Z: 6 6.446 1.810 0.803 0.564 0.800 0.800 CB 1.038 6 residues pruned to eliminate duplicates Z: 37 33.426 2.222 0.587 0.571 0.972 0.667 CB 1.517 31 residues pruned to eliminate duplicates Z: 8 6.604 1.676 0.703 0.759 0.714 0.429 CB 0.973 8 residues pruned to eliminate duplicates Z: 7 9.325 2.073 0.550 0.591 0.833 0.667 CB 1.303 8 residues pruned to eliminate duplicates Z: 39 35.698 2.206 0.763 0.615 0.921 0.579 CB 1.450 40 residues pruned to eliminate duplicates Z: 13 27.380 2.094 1.072 0.927 0.917 0.667 CB 1.393 13 residues pruned to eliminate duplicates Z: 12 28.964 2.364 0.563 0.924 1.000 1.000 CB 1.660 12 residues pruned to eliminate duplicates Z: 21 8.623 1.629 0.355 0.438 0.850 0.450 CB 1.096 21 residues pruned to eliminate duplicates Z: 29 22.670 2.109 0.426 0.631 0.857 0.536 CB 1.470 37 residues pruned to eliminate duplicates Z: 26 38.724 2.376 0.881 0.637 0.880 0.640 CB 1.733 26 residues pruned to eliminate duplicates Z: 67 48.863 2.308 0.962 0.425 0.879 0.545 CB 1.633 67 residues pruned to eliminate duplicates Z: 50 38.914 2.214 0.846 0.435 0.939 0.694 CB 1.550 50 residues pruned to eliminate duplicates Z: 46 37.073 2.146 0.706 0.512 0.933 0.644 CB 1.598 61 residues pruned to eliminate duplicates Z: 43 40.882 2.304 0.675 0.483 0.976 0.571 CB 1.703 43 residues pruned to eliminate duplicates Z: 8 11.361 1.826 0.365 0.884 1.000 0.714 CB 1.245 8 residues pruned to eliminate duplicates Z: 74 43.297 2.174 0.755 0.523 0.904 0.548 CB 1.435 77 residues pruned to eliminate duplicates Z: 12 12.994 2.050 0.454 0.780 0.909 0.545 CB 1.130 12 residues pruned to eliminate duplicates Z: 28 34.589 2.302 0.908 0.531 0.889 0.630 CB 1.654 28 residues pruned to eliminate duplicates Z: 12 23.977 2.374 0.287 0.918 1.000 0.909 CB 1.668 12 residues pruned to eliminate duplicates Z: 16 23.399 2.282 0.788 0.578 0.933 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 45 32.275 2.281 0.733 0.469 0.841 0.568 CB 1.510 45 residues pruned to eliminate duplicates Z: 9 11.003 1.837 0.119 0.888 1.000 0.750 CB 1.364 9 residues pruned to eliminate duplicates Z: 14 21.747 2.141 0.521 0.922 1.000 0.846 CB 1.302 14 residues pruned to eliminate duplicates Z: 6 4.623 1.319 0.230 0.773 1.000 1.000 CB 1.001 Z: 13 34.438 2.209 0.861 0.896 1.000 1.000 CA 1.732 13 residues pruned to eliminate duplicates Z: 73 63.638 2.572 0.916 0.485 0.847 0.597 CB 1.823 73 residues pruned to eliminate duplicates Z: 70 40.776 2.178 0.686 0.559 0.899 0.594 CB 1.405 70 residues pruned to eliminate duplicates Z: 12 11.190 2.010 0.793 0.259 0.818 0.455 CB 1.508 12 residues pruned to eliminate duplicates Z: 30 22.722 1.981 0.594 0.412 0.931 0.483 CB 1.573 30 residues pruned to eliminate duplicates Z: 29 32.022 2.271 0.778 0.612 0.964 0.679 CB 1.398 29 residues pruned to eliminate duplicates Z: 58 49.841 2.447 0.809 0.569 0.860 0.649 CB 1.624 58 residues pruned to eliminate duplicates Z: 59 47.089 2.275 0.768 0.583 0.897 0.586 CB 1.583 59 residues pruned to eliminate duplicates Z: 7 7.184 1.703 0.534 0.711 1.000 0.667 CB 0.927 7 residues pruned to eliminate duplicates Z: 12 34.758 2.445 1.399 0.568 0.909 0.727 CA 1.839 12 residues pruned to eliminate duplicates Z: 14 10.021 1.635 0.609 0.612 0.769 0.615 CB 1.235 14 residues pruned to eliminate duplicates Z: 15 24.427 2.126 0.520 0.888 1.000 0.786 CB 1.455 15 residues pruned to eliminate duplicates Z: 27 26.057 2.133 0.803 0.477 0.885 0.654 CB 1.537 27 residues pruned to eliminate duplicates Z: 6 4.704 1.956 -0.253 0.796 1.000 1.000 CB 1.111 Z: 7 14.373 1.867 0.573 0.852 1.000 1.000 CA 1.478 7 residues pruned to eliminate duplicates Z: 8 9.444 1.769 0.489 0.758 0.857 0.571 CB 1.257 8 residues pruned to eliminate duplicates Z: 9 10.265 1.555 0.469 0.864 1.000 0.750 CB 1.165 9 residues pruned to eliminate duplicates Z: 18 17.279 1.986 0.734 0.363 1.000 0.765 CB 1.410 18 residues pruned to eliminate duplicates Z: 44 35.918 2.315 0.646 0.526 0.884 0.651 CB 1.586 44 residues pruned to eliminate duplicates Z: 18 25.958 2.548 0.784 0.364 0.824 0.471 CB 1.947 18 residues pruned to eliminate duplicates Z: 88 44.811 2.112 0.812 0.426 0.908 0.506 CB 1.493 88 residues pruned to eliminate duplicates Z: 63 46.118 2.220 0.905 0.460 0.903 0.597 CB 1.597 63 residues pruned to eliminate duplicates Z: 17 12.851 1.645 0.749 0.515 0.938 0.625 CB 1.173 17 residues pruned to eliminate duplicates Z: 7 10.478 1.795 0.344 0.750 1.000 0.667 O 1.418 7 residues pruned to eliminate duplicates Z: 33 42.799 2.596 0.831 0.422 0.875 0.562 CB 1.972 33 residues pruned to eliminate duplicates Z: 15 10.732 1.499 0.363 0.868 0.929 0.786 CA 1.105 15 residues pruned to eliminate duplicates Z: 18 30.861 2.211 0.933 0.668 0.941 0.647 CA 1.594 18 residues pruned to eliminate duplicates Z: 14 9.800 1.473 0.487 0.818 0.923 0.692 CB 1.020 14 residues pruned to eliminate duplicates Z: 11 12.790 1.742 0.248 0.878 1.000 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 31 28.967 2.238 0.651 0.533 0.900 0.633 CB 1.539 31 residues pruned to eliminate duplicates Z: 33 40.763 2.270 0.949 0.508 0.906 0.594 CB 1.783 33 residues pruned to eliminate duplicates Z: 37 41.591 2.441 0.877 0.467 0.861 0.556 CB 1.817 37 residues pruned to eliminate duplicates Z: 29 18.808 1.720 0.499 0.654 0.964 0.750 CB 1.239 29 residues pruned to eliminate duplicates Z: 14 29.442 2.084 1.078 0.907 0.923 0.692 CB 1.451 15 residues pruned to eliminate duplicates Z: 18 27.394 2.175 0.490 0.861 1.000 0.765 CB 1.506 18 residues pruned to eliminate duplicates Z: 9 10.237 1.725 0.327 0.793 1.000 0.375 CB 1.222 8 residues pruned to eliminate duplicates Z: 11 8.774 1.769 0.414 0.534 0.800 0.500 CA 1.341 11 residues pruned to eliminate duplicates Z: 14 23.589 2.092 1.150 0.924 0.769 0.154 CB 1.328 14 residues pruned to eliminate duplicates Z: 14 22.836 2.387 0.806 0.399 0.923 0.538 CA 1.771 14 residues pruned to eliminate duplicates Z: 16 27.921 2.134 0.633 0.822 0.933 0.800 CB 1.677 16 residues pruned to eliminate duplicates Z: 10 13.167 1.800 0.301 0.856 1.000 0.889 CB 1.382 10 residues pruned to eliminate duplicates Z: 16 24.831 2.043 0.883 0.827 0.867 0.600 CB 1.449 16 residues pruned to eliminate duplicates Z: 13 21.144 2.007 0.984 0.589 0.917 0.500 CA 1.535 13 residues pruned to eliminate duplicates Z: 12 4.777 1.731 0.217 0.360 0.818 0.545 CB 0.972 6 residues pruned to eliminate duplicates Z: 28 40.298 2.488 1.062 0.395 0.926 0.630 CB 1.824 28 residues pruned to eliminate duplicates Z: 9 9.638 1.558 0.423 0.868 1.000 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 13 34.212 2.432 0.804 0.899 0.917 0.833 CB 1.756 13 residues pruned to eliminate duplicates Z: 14 23.623 2.099 0.874 0.908 0.923 0.615 CB 1.281 14 residues pruned to eliminate duplicates Z: 9 7.060 1.595 0.255 0.807 0.875 0.750 CB 1.090 9 residues pruned to eliminate duplicates Z: 35 33.894 2.285 0.906 0.509 0.882 0.618 CB 1.499 35 residues pruned to eliminate duplicates Z: 16 22.017 2.148 0.480 0.822 1.000 0.667 CB 1.352 16 residues pruned to eliminate duplicates Z: 83 43.287 2.098 0.641 0.583 0.890 0.695 CB 1.440 82 residues pruned to eliminate duplicates Z: 10 4.202 1.655 0.448 0.306 0.667 0.333 CB 1.087 10 residues pruned to eliminate duplicates Z: 16 25.462 2.158 0.615 0.793 0.867 0.600 CB 1.684 16 residues pruned to eliminate duplicates Z: 22 34.595 2.278 0.869 0.630 0.952 0.667 CB 1.648 22 residues pruned to eliminate duplicates Z: 13 9.725 1.502 0.484 0.840 1.000 0.667 CB 0.940 13 residues pruned to eliminate duplicates Z: 36 32.610 2.249 0.571 0.604 0.943 0.686 CB 1.499 36 residues pruned to eliminate duplicates Z: 33 21.581 2.209 0.600 0.290 0.844 0.500 CB 1.619 33 residues pruned to eliminate duplicates Z: 15 26.577 2.124 1.004 0.899 0.929 0.714 CB 1.284 14 residues pruned to eliminate duplicates Z: 10 15.108 1.844 0.494 0.886 1.000 0.778 CB 1.319 10 residues pruned to eliminate duplicates Z: 12 7.797 1.846 0.835 0.378 0.727 0.455 CB 1.087 12 residues pruned to eliminate duplicates Z: 40 24.507 1.797 0.750 0.596 0.897 0.692 CB 1.269 41 residues pruned to eliminate duplicates Z: 26 24.275 2.286 0.824 0.338 0.880 0.400 CB 1.579 26 residues pruned to eliminate duplicates Z: 10 9.845 1.546 0.589 0.914 1.000 1.000 CB 0.944 6 residues pruned to eliminate duplicates Z: 27 20.362 1.984 0.711 0.429 0.885 0.615 CB 1.431 27 residues pruned to eliminate duplicates 6 1.983 1.166 0.748 0.297 0.800 0.800 O 0.682 ? Z: 11 9.832 1.475 0.435 0.898 1.000 0.600 CA 1.050 11 residues pruned to eliminate duplicates Z: 36 38.438 2.279 0.642 0.606 1.000 0.714 CB 1.569 36 residues pruned to eliminate duplicates Z: 28 36.323 2.264 0.919 0.515 0.889 0.593 CB 1.784 18 residues pruned to eliminate duplicates Z: 38 28.276 1.996 0.835 0.418 0.919 0.541 CB 1.504 38 residues pruned to eliminate duplicates Z: 7 2.951 1.426 0.413 0.216 0.833 0.333 CA 1.003 Z: 9 7.550 1.536 0.415 0.880 1.000 0.750 CB 0.890 9 residues pruned to eliminate duplicates Z: 32 16.988 1.852 0.638 0.498 0.839 0.677 CB 1.202 32 residues pruned to eliminate duplicates Z: 14 22.531 2.178 0.777 0.732 0.846 0.538 CB 1.548 14 residues pruned to eliminate duplicates Z: 49 31.147 2.148 0.611 0.559 0.896 0.625 CB 1.369 49 residues pruned to eliminate duplicates Z: 44 59.116 2.565 0.907 0.528 0.930 0.651 CB 1.926 44 residues pruned to eliminate duplicates Z: 54 33.531 2.106 0.624 0.547 0.925 0.623 CB 1.392 54 residues pruned to eliminate duplicates Z: 10 8.432 1.513 0.309 0.877 1.000 0.889 CB 1.031 10 residues pruned to eliminate duplicates Z: 71 55.419 2.296 0.891 0.498 0.929 0.571 CB 1.647 71 residues pruned to eliminate duplicates Z: 7 10.393 1.789 0.579 0.762 1.000 0.333 CB 1.190 7 residues pruned to eliminate duplicates Z: 15 30.646 2.194 0.914 0.771 0.929 0.571 CB 1.652 15 residues pruned to eliminate duplicates Z: 10 14.796 2.053 0.687 0.470 0.889 0.556 CB 1.652 10 residues pruned to eliminate duplicates Z: 10 22.924 2.020 1.000 0.840 0.889 0.667 CA 1.588 10 residues pruned to eliminate duplicates Z: 10 16.506 2.140 0.578 0.741 1.000 0.667 CB 1.313 10 residues pruned to eliminate duplicates Z: 10 13.766 1.857 0.361 0.868 1.000 0.778 CB 1.327 11 residues pruned to eliminate duplicates Z: 14 33.149 2.324 0.941 0.837 0.846 0.615 CA 1.802 14 residues pruned to eliminate duplicates Z: 15 27.957 2.050 0.978 0.940 1.000 0.214 CB 1.280 15 residues pruned to eliminate duplicates Z: 76 63.463 2.506 0.859 0.467 0.880 0.573 CB 1.848 76 residues pruned to eliminate duplicates Z: 36 28.877 2.195 0.746 0.370 0.914 0.486 CB 1.602 36 residues pruned to eliminate duplicates Z: 16 6.668 1.587 0.348 0.338 0.800 0.400 CB 1.200 Z: 14 34.412 2.227 0.966 0.896 0.846 0.462 CB 1.845 14 residues pruned to eliminate duplicates Z: 6 3.437 1.799 0.179 0.238 0.800 0.400 CB 1.229 6 residues pruned to eliminate duplicates Z: 86 66.471 2.434 0.994 0.474 0.882 0.612 CB 1.728 86 residues pruned to eliminate duplicates Z: 11 8.788 1.906 0.413 0.389 0.800 0.400 CB 1.450 11 residues pruned to eliminate duplicates Z: 6 3.401 1.086 0.723 0.798 1.000 0.800 N 0.626 Z: 7 8.365 1.714 0.430 0.862 0.833 0.167 CB 1.228 7 residues pruned to eliminate duplicates Z: 8 27.691 2.422 0.916 0.914 1.000 0.571 CB 1.595 8 residues pruned to eliminate duplicates Z: 13 14.152 1.546 0.758 0.806 1.000 0.417 CB 1.151 13 residues pruned to eliminate duplicates Z: 18 9.070 1.598 0.303 0.494 0.882 0.529 CB 1.204 18 residues pruned to eliminate duplicates Z: 15 29.878 2.466 1.067 0.479 0.857 0.714 CB 1.866 15 residues pruned to eliminate duplicates Z: 19 17.862 2.000 0.499 0.740 0.778 0.500 CB 1.456 19 residues pruned to eliminate duplicates Z: 8 7.740 1.504 0.459 0.831 1.000 0.857 CB 1.002 8 residues pruned to eliminate duplicates Z: 11 17.025 1.909 0.419 0.892 1.000 0.600 CB 1.427 11 residues pruned to eliminate duplicates Z: 41 37.585 2.204 0.853 0.459 0.975 0.500 CB 1.557 41 residues pruned to eliminate duplicates Z: 20 27.771 2.086 0.473 0.793 1.000 0.737 CB 1.603 20 residues pruned to eliminate duplicates Z: 7 9.080 1.886 0.535 0.871 0.833 0.333 CB 1.120 7 residues pruned to eliminate duplicates Z: 11 10.232 1.693 0.447 0.868 0.800 0.600 CB 1.207 11 residues pruned to eliminate duplicates 6 1.337 1.287 0.508 0.299 0.600 0.400 CB 0.642 ? Z: 12 6.123 1.503 0.547 0.456 0.909 0.455 CB 0.913 8 residues pruned to eliminate duplicates Z: 30 34.625 2.404 0.800 0.527 0.862 0.552 CB 1.678 30 residues pruned to eliminate duplicates Z: 30 33.287 2.258 0.880 0.410 0.966 0.621 CB 1.658 30 residues pruned to eliminate duplicates Z: 13 5.333 1.396 0.332 0.386 0.833 0.583 CB 1.122 13 residues pruned to eliminate duplicates Z: 51 53.682 2.575 0.891 0.451 0.880 0.520 CB 1.863 57 residues pruned to eliminate duplicates Z: 73 55.966 2.375 0.861 0.495 0.917 0.542 CB 1.636 73 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 26 20.390 2.114 0.486 0.625 0.800 0.560 CB 1.443 16 residues pruned to eliminate duplicates Z: 16 23.991 2.204 0.372 0.828 0.933 0.733 CB 1.653 16 residues pruned to eliminate duplicates Z: 19 24.642 2.167 0.446 0.693 0.944 0.722 CB 1.645 19 residues pruned to eliminate duplicates Z: 20 24.644 2.161 0.432 0.691 0.947 0.526 CB 1.619 20 residues pruned to eliminate duplicates Z: 9 20.661 2.263 0.674 0.805 0.875 0.750 CB 1.688 9 residues pruned to eliminate duplicates Z: 47 38.882 2.209 0.682 0.586 0.891 0.587 CB 1.594 57 residues pruned to eliminate duplicates Z: 15 24.685 2.171 0.437 0.843 0.929 0.643 CB 1.695 15 residues pruned to eliminate duplicates Z: 21 19.201 2.053 0.429 0.573 0.900 0.600 CB 1.515 21 residues pruned to eliminate duplicates Z: 22 24.916 2.076 0.488 0.660 0.952 0.667 CB 1.593 21 residues pruned to eliminate duplicates Z: 18 28.501 2.073 0.641 0.786 1.000 0.647 CB 1.579 19 residues pruned to eliminate duplicates Z: 17 24.641 2.171 0.540 0.774 0.938 0.750 CB 1.542 17 residues pruned to eliminate duplicates Z: 19 26.446 2.180 0.524 0.716 0.944 0.611 CB 1.634 19 residues pruned to eliminate duplicates Z: 17 23.817 2.247 0.520 0.688 0.875 0.688 CB 1.677 17 residues pruned to eliminate duplicates Z: 19 26.941 2.184 0.421 0.731 1.000 0.556 CB 1.663 19 residues pruned to eliminate duplicates Z: 14 7.549 1.670 0.359 0.433 0.846 0.615 CB 1.169 14 residues pruned to eliminate duplicates Z: 7 6.407 1.688 0.215 0.321 1.000 0.833 N 1.553 7 residues pruned to eliminate duplicates Z: 16 8.000 1.696 0.386 0.387 0.800 0.467 CB 1.238 16 residues pruned to eliminate duplicates Z: 21 30.012 2.137 0.888 0.649 0.900 0.600 CA 1.609 21 residues pruned to eliminate duplicates Z: 30 41.290 2.261 1.050 0.515 0.931 0.586 CB 1.751 30 residues pruned to eliminate duplicates Z: 28 42.436 2.225 0.996 0.570 0.963 0.556 CB 1.785 28 residues pruned to eliminate duplicates Z: 116 60.041 2.268 0.844 0.476 0.878 0.504 CB 1.561 116 residues pruned to eliminate duplicates Z: 91 53.865 2.257 0.724 0.462 0.944 0.578 CB 1.606 91 residues pruned to eliminate duplicates Z: 13 16.025 2.090 0.742 0.389 0.917 0.667 CA 1.560 13 residues pruned to eliminate duplicates Z: 24 33.001 2.244 0.844 0.526 0.957 0.565 CA 1.694 24 residues pruned to eliminate duplicates Z: 29 41.967 2.284 1.102 0.550 0.857 0.536 CA 1.835 29 residues pruned to eliminate duplicates Z: 73 50.852 2.340 0.701 0.469 0.931 0.569 CB 1.670 73 residues pruned to eliminate duplicates Z: 22 28.799 2.182 0.970 0.523 0.810 0.571 CA 1.765 22 residues pruned to eliminate duplicates Z: 79 53.424 2.313 0.835 0.455 0.885 0.551 CB 1.687 79 residues pruned to eliminate duplicates Z: 67 52.201 2.347 0.805 0.508 0.909 0.621 CB 1.656 67 residues pruned to eliminate duplicates Z: 56 48.768 2.335 0.920 0.506 0.873 0.600 CB 1.669 56 residues pruned to eliminate duplicates Z: 79 54.433 2.299 0.825 0.463 0.910 0.577 CB 1.676 79 residues pruned to eliminate duplicates Z: 114 62.099 2.287 0.772 0.481 0.912 0.619 CB 1.612 114 residues pruned to eliminate duplicates Z: 28 33.404 2.195 0.984 0.450 0.889 0.519 CB 1.749 28 residues pruned to eliminate duplicates Z: 115 64.406 2.277 0.787 0.488 0.930 0.526 CB 1.614 115 residues pruned to eliminate duplicates Z: 76 54.591 2.345 0.849 0.481 0.880 0.653 CB 1.683 76 residues pruned to eliminate duplicates Z: 68 48.653 2.349 0.788 0.478 0.851 0.567 CB 1.702 68 residues pruned to eliminate duplicates Z: 72 51.770 2.342 0.810 0.466 0.901 0.592 CB 1.665 72 residues pruned to eliminate duplicates Z: 119 51.382 2.141 0.743 0.444 0.890 0.602 CB 1.508 119 residues pruned to eliminate duplicates Z: 28 49.349 2.321 1.213 0.539 0.926 0.667 CB 1.921 28 residues pruned to eliminate duplicates Z: 66 51.846 2.318 0.810 0.495 0.923 0.615 CB 1.669 66 residues pruned to eliminate duplicates Z: 23 44.569 2.405 0.952 0.593 0.955 0.636 CB 1.941 23 residues pruned to eliminate duplicates Z: 71 51.351 2.313 0.864 0.491 0.871 0.600 CB 1.649 71 residues pruned to eliminate duplicates Z: 70 45.966 2.312 0.824 0.468 0.826 0.551 CB 1.641 70 residues pruned to eliminate duplicates Z: 91 52.237 2.255 0.778 0.459 0.900 0.522 CB 1.590 91 residues pruned to eliminate duplicates Z: 72 51.710 2.308 0.737 0.508 0.901 0.648 CB 1.685 72 residues pruned to eliminate duplicates Z: 85 51.932 2.216 0.792 0.490 0.905 0.619 CB 1.594 85 residues pruned to eliminate duplicates Z: 50 37.025 2.338 0.681 0.449 0.878 0.653 CB 1.616 50 residues pruned to eliminate duplicates Z: 52 33.887 2.271 0.685 0.431 0.843 0.569 CB 1.580 52 residues pruned to eliminate duplicates Z: 95 60.902 2.368 0.805 0.486 0.904 0.564 CB 1.649 95 residues pruned to eliminate duplicates Z: 73 47.410 2.296 0.767 0.469 0.861 0.514 CB 1.650 73 residues pruned to eliminate duplicates Z: 72 46.584 2.258 0.830 0.491 0.873 0.563 CB 1.546 72 residues pruned to eliminate duplicates Z: 71 58.905 2.339 0.937 0.511 0.914 0.614 CB 1.682 71 residues pruned to eliminate duplicates Z: 78 50.388 2.261 0.824 0.451 0.909 0.571 CB 1.611 78 residues pruned to eliminate duplicates Z: 52 36.242 2.270 0.737 0.457 0.902 0.608 CB 1.491 52 residues pruned to eliminate duplicates Z: 101 65.602 2.341 0.938 0.494 0.900 0.640 CB 1.617 101 residues pruned to eliminate duplicates Z: 50 40.600 2.338 0.771 0.455 0.959 0.592 CB 1.529 50 residues pruned to eliminate duplicates Z: 44 33.622 2.320 0.617 0.498 0.884 0.628 CB 1.550 44 residues pruned to eliminate duplicates Z: 70 52.603 2.239 0.924 0.517 0.899 0.478 CB 1.610 70 residues pruned to eliminate duplicates Z: 77 55.752 2.325 0.897 0.489 0.908 0.618 CB 1.614 77 residues pruned to eliminate duplicates Z: 44 38.577 2.330 0.681 0.503 0.930 0.628 CB 1.610 44 residues pruned to eliminate duplicates Z: 57 33.391 2.200 0.557 0.540 0.875 0.429 CB 1.431 57 residues pruned to eliminate duplicates Z: 54 32.658 2.247 0.651 0.425 0.868 0.547 CB 1.506 54 residues pruned to eliminate duplicates Z: 45 36.233 2.313 0.662 0.510 0.909 0.636 CB 1.548 45 residues pruned to eliminate duplicates Z: 51 33.962 2.303 0.686 0.442 0.900 0.640 CB 1.459 51 residues pruned to eliminate duplicates Z: 59 36.545 2.238 0.731 0.484 0.828 0.534 CB 1.522 59 residues pruned to eliminate duplicates Z: 35 20.012 2.167 0.543 0.377 0.824 0.471 CB 1.422 35 residues pruned to eliminate duplicates Z: 43 43.769 2.342 0.772 0.521 0.976 0.667 CB 1.633 43 residues pruned to eliminate duplicates Z: 112 58.116 2.235 0.816 0.495 0.910 0.595 CB 1.501 112 residues pruned to eliminate duplicates Z: 71 54.158 2.354 0.872 0.488 0.886 0.571 CB 1.679 71 residues pruned to eliminate duplicates Z: 50 36.380 2.327 0.772 0.443 0.878 0.551 CB 1.522 50 residues pruned to eliminate duplicates Z: 51 40.042 2.338 0.757 0.463 0.920 0.580 CB 1.556 51 residues pruned to eliminate duplicates Z: 50 37.565 2.284 0.756 0.464 0.918 0.592 CB 1.512 50 residues pruned to eliminate duplicates Z: 34 25.108 2.302 0.568 0.457 0.879 0.545 CB 1.440 34 residues pruned to eliminate duplicates Z: 39 28.306 2.146 0.695 0.419 0.868 0.474 CB 1.582 39 residues pruned to eliminate duplicates Z: 22 18.474 2.228 0.655 0.317 0.905 0.571 CB 1.479 22 residues pruned to eliminate duplicates Z: 72 50.130 2.336 0.793 0.482 0.873 0.662 CB 1.656 72 residues pruned to eliminate duplicates Z: 67 40.839 2.255 0.736 0.423 0.894 0.591 CB 1.556 67 residues pruned to eliminate duplicates Z: 24 14.442 2.116 0.509 0.304 0.826 0.522 CB 1.420 24 residues pruned to eliminate duplicates Z: 74 51.136 2.302 0.882 0.495 0.890 0.644 CB 1.558 74 residues pruned to eliminate duplicates Z: 51 38.751 2.278 0.766 0.445 0.960 0.600 CB 1.501 51 residues pruned to eliminate duplicates Z: 23 18.543 2.214 0.724 0.330 0.864 0.591 CB 1.446 23 residues pruned to eliminate duplicates Z: 77 60.838 2.325 0.924 0.505 0.947 0.671 CB 1.639 77 residues pruned to eliminate duplicates Z: 23 18.454 2.134 0.677 0.334 0.909 0.636 CB 1.451 23 residues pruned to eliminate duplicates Z: 46 29.489 2.334 0.551 0.446 0.844 0.600 CB 1.520 46 residues pruned to eliminate duplicates Z: 17 17.710 2.188 0.581 0.430 0.938 0.562 CB 1.467 17 residues pruned to eliminate duplicates Z: 68 45.142 2.275 0.786 0.454 0.910 0.582 CB 1.562 68 residues pruned to eliminate duplicates Z: 78 53.429 2.277 0.858 0.480 0.922 0.662 CB 1.592 78 residues pruned to eliminate duplicates Z: 35 29.437 2.270 0.643 0.454 0.912 0.529 CB 1.556 35 residues pruned to eliminate duplicates Z: 34 23.981 2.318 0.426 0.472 0.879 0.636 CB 1.479 34 residues pruned to eliminate duplicates Z: 60 41.084 2.268 0.800 0.482 0.898 0.610 CB 1.485 60 residues pruned to eliminate duplicates Z: 99 53.061 2.224 0.893 0.467 0.878 0.510 CB 1.501 99 residues pruned to eliminate duplicates Z: 33 34.101 2.321 0.879 0.472 0.906 0.688 CB 1.570 33 residues pruned to eliminate duplicates Z: 39 34.359 2.323 0.830 0.413 0.895 0.632 CB 1.605 39 residues pruned to eliminate duplicates Z: 27 38.648 2.443 0.924 0.560 0.885 0.615 CB 1.720 27 residues pruned to eliminate duplicates Z: 31 32.304 2.273 0.971 0.526 0.867 0.700 CB 1.480 31 residues pruned to eliminate duplicates Z: 28 32.781 2.391 0.801 0.551 0.852 0.630 CB 1.635 28 residues pruned to eliminate duplicates Z: 36 32.546 2.266 0.854 0.446 0.886 0.429 CB 1.563 36 residues pruned to eliminate duplicates Z: 29 33.550 2.287 1.009 0.524 0.857 0.607 CB 1.572 29 residues pruned to eliminate duplicates Z: 35 38.226 2.333 0.946 0.511 0.912 0.676 CB 1.567 35 residues pruned to eliminate duplicates Z: 28 39.127 2.378 0.996 0.552 0.889 0.667 CB 1.697 28 residues pruned to eliminate duplicates Z: 32 35.804 2.269 0.904 0.542 0.935 0.581 CB 1.527 32 residues pruned to eliminate duplicates Z: 25 35.941 2.439 1.024 0.576 0.833 0.667 CB 1.657 25 residues pruned to eliminate duplicates Z: 25 41.912 2.464 1.006 0.612 0.917 0.583 CB 1.699 25 residues pruned to eliminate duplicates Z: 25 39.666 2.442 0.945 0.598 0.917 0.708 CB 1.693 25 residues pruned to eliminate duplicates Z: 25 37.657 2.500 0.879 0.597 0.875 0.500 CB 1.705 25 residues pruned to eliminate duplicates Z: 52 41.365 2.292 0.813 0.513 0.882 0.647 CB 1.560 52 residues pruned to eliminate duplicates Z: 26 36.455 2.452 0.951 0.555 0.840 0.640 CB 1.719 26 residues pruned to eliminate duplicates Z: 26 36.406 2.404 0.871 0.590 0.920 0.640 CB 1.614 26 residues pruned to eliminate duplicates Z: 33 36.839 2.282 1.016 0.526 0.938 0.531 CB 1.471 33 residues pruned to eliminate duplicates Z: 24 42.677 2.505 0.871 0.609 0.957 0.565 CB 1.790 24 residues pruned to eliminate duplicates Z: 53 34.942 2.124 0.822 0.477 0.865 0.558 CB 1.481 53 residues pruned to eliminate duplicates Z: 77 49.321 2.247 0.744 0.567 0.921 0.697 CB 1.468 74 residues pruned to eliminate duplicates Z: 14 12.001 1.812 0.343 0.689 1.000 0.846 CB 1.151 14 residues pruned to eliminate duplicates Z: 25 18.566 2.080 0.711 0.432 0.875 0.708 CB 1.306 25 residues pruned to eliminate duplicates Z: 52 33.907 2.097 0.555 0.532 0.941 0.608 CB 1.499 52 residues pruned to eliminate duplicates Z: 12 12.134 1.629 0.550 0.780 1.000 0.636 CB 1.132 12 residues pruned to eliminate duplicates Z: 52 35.372 2.152 0.634 0.548 0.922 0.725 CB 1.459 52 residues pruned to eliminate duplicates Z: 10 6.729 1.576 0.263 0.790 0.889 0.667 CB 0.983 10 residues pruned to eliminate duplicates Z: 76 47.904 2.218 0.731 0.556 0.920 0.640 CB 1.483 76 residues pruned to eliminate duplicates Z: 51 32.770 2.146 0.492 0.542 0.960 0.660 CB 1.447 51 residues pruned to eliminate duplicates Z: 57 34.606 2.157 0.661 0.458 0.893 0.518 CB 1.509 57 residues pruned to eliminate duplicates Z: 76 41.085 2.244 0.581 0.504 0.907 0.627 CB 1.469 76 residues pruned to eliminate duplicates Z: 74 43.717 2.271 0.609 0.532 0.904 0.699 CB 1.501 74 residues pruned to eliminate duplicates Z: 39 27.693 2.213 0.428 0.536 0.921 0.658 CB 1.490 39 residues pruned to eliminate duplicates Z: 38 31.855 2.232 0.577 0.578 0.946 0.730 CB 1.459 38 residues pruned to eliminate duplicates Z: 40 30.827 2.200 0.614 0.565 0.923 0.744 CB 1.414 40 residues pruned to eliminate duplicates Z: 21 24.833 2.159 0.506 0.790 0.950 0.650 CB 1.393 21 residues pruned to eliminate duplicates Z: 40 28.069 2.210 0.670 0.506 0.872 0.692 CB 1.389 40 residues pruned to eliminate duplicates Z: 73 44.629 2.231 0.668 0.523 0.931 0.639 CB 1.485 73 residues pruned to eliminate duplicates Z: 36 37.359 2.260 0.941 0.567 0.914 0.571 CB 1.475 36 residues pruned to eliminate duplicates Z: 37 33.971 2.265 0.754 0.560 0.917 0.583 CB 1.467 37 residues pruned to eliminate duplicates Z: 38 37.815 2.239 0.821 0.550 1.000 0.622 CB 1.452 37 residues pruned to eliminate duplicates Z: 16 25.861 2.214 0.705 0.852 0.933 0.467 CB 1.401 16 residues pruned to eliminate duplicates Z: 37 32.011 2.272 0.657 0.558 0.917 0.611 CB 1.461 37 residues pruned to eliminate duplicates Z: 52 32.610 2.117 0.722 0.512 0.863 0.490 CB 1.434 52 residues pruned to eliminate duplicates Z: 41 28.471 2.171 0.631 0.509 0.925 0.600 CB 1.362 41 residues pruned to eliminate duplicates Z: 39 31.688 2.212 0.604 0.560 0.921 0.605 CB 1.484 40 residues pruned to eliminate duplicates Z: 17 19.507 2.083 0.417 0.878 0.938 0.500 CB 1.279 17 residues pruned to eliminate duplicates Z: 37 35.734 2.265 0.789 0.569 0.917 0.639 CB 1.500 37 residues pruned to eliminate duplicates Z: 79 44.486 2.168 0.768 0.527 0.910 0.526 CB 1.406 79 residues pruned to eliminate duplicates Z: 40 33.153 2.203 0.715 0.536 0.923 0.513 CB 1.469 40 residues pruned to eliminate duplicates Z: 52 30.355 2.140 0.589 0.513 0.941 0.549 CB 1.311 52 residues pruned to eliminate duplicates Z: 38 37.078 2.262 0.741 0.572 0.973 0.703 CB 1.484 38 residues pruned to eliminate duplicates Z: 38 34.135 2.229 0.830 0.540 0.919 0.568 CB 1.441 38 residues pruned to eliminate duplicates Z: 36 36.158 2.238 0.849 0.560 0.914 0.543 CB 1.523 36 residues pruned to eliminate duplicates Z: 73 49.397 2.244 0.806 0.545 0.931 0.583 CB 1.477 73 residues pruned to eliminate duplicates Z: 51 33.616 2.150 0.644 0.524 0.920 0.560 CB 1.428 51 residues pruned to eliminate duplicates Z: 42 35.616 2.149 0.867 0.541 0.976 0.488 CB 1.365 39 residues pruned to eliminate duplicates Z: 6 8.407 1.575 0.966 0.408 1.000 0.800 CB 1.338 6 residues pruned to eliminate duplicates Z: 39 34.646 2.218 0.869 0.554 0.895 0.500 CB 1.438 39 residues pruned to eliminate duplicates Z: 39 34.464 2.212 0.783 0.538 0.947 0.737 CB 1.441 39 residues pruned to eliminate duplicates Z: 11 7.751 1.943 0.596 0.432 0.900 0.600 CB 0.942 11 residues pruned to eliminate duplicates Z: 40 33.142 2.189 0.722 0.553 0.949 0.590 CB 1.409 40 residues pruned to eliminate duplicates Z: 36 41.083 2.269 0.882 0.644 0.971 0.571 CB 1.464 40 residues pruned to eliminate duplicates Z: 16 26.249 2.288 0.529 0.824 0.867 0.733 CB 1.689 16 residues pruned to eliminate duplicates Z: 48 40.480 2.310 0.767 0.474 0.894 0.596 CB 1.662 48 residues pruned to eliminate duplicates Z: 70 65.068 2.545 0.893 0.466 0.913 0.551 CB 1.844 70 residues pruned to eliminate duplicates Z: 115 77.030 2.488 0.859 0.478 0.904 0.579 CB 1.765 115 residues pruned to eliminate duplicates Z: 90 68.064 2.480 0.847 0.466 0.899 0.562 CB 1.813 90 residues pruned to eliminate duplicates Z: 113 80.683 2.496 0.958 0.482 0.884 0.616 CB 1.797 113 residues pruned to eliminate duplicates Z: 85 71.466 2.503 0.873 0.467 0.929 0.571 CB 1.852 85 residues pruned to eliminate duplicates Z: 115 84.890 2.498 0.987 0.482 0.921 0.588 CB 1.771 114 residues pruned to eliminate duplicates Z: 12 34.640 2.367 0.785 0.877 1.000 1.000 CB 1.795 12 residues pruned to eliminate duplicates Z: 44 42.313 2.341 0.854 0.484 0.930 0.651 CB 1.623 44 residues pruned to eliminate duplicates Z: 48 43.584 2.313 0.890 0.501 0.915 0.574 CB 1.588 47 residues pruned to eliminate duplicates Z: 13 20.799 2.465 0.261 0.865 0.917 0.667 CB 1.543 13 residues pruned to eliminate duplicates Z: 80 69.578 2.506 0.916 0.524 0.886 0.671 CB 1.798 80 residues pruned to eliminate duplicates Z: 80 59.385 2.507 0.927 0.436 0.835 0.570 CB 1.769 80 residues pruned to eliminate duplicates Z: 96 70.557 2.485 1.002 0.453 0.853 0.526 CB 1.791 96 residues pruned to eliminate duplicates Z: 115 77.939 2.490 0.921 0.484 0.886 0.640 CB 1.750 115 residues pruned to eliminate duplicates Z: 94 79.264 2.559 0.949 0.499 0.892 0.559 CB 1.848 94 residues pruned to eliminate duplicates Z: 100 73.556 2.478 0.848 0.496 0.919 0.586 CB 1.763 100 residues pruned to eliminate duplicates Z: 115 72.076 2.444 0.924 0.437 0.877 0.596 CB 1.747 115 residues pruned to eliminate duplicates Z: 73 61.694 2.575 0.847 0.485 0.861 0.542 CB 1.802 73 residues pruned to eliminate duplicates Z: 74 67.109 2.543 0.949 0.492 0.890 0.521 CB 1.794 74 residues pruned to eliminate duplicates Z: 71 69.396 2.552 0.939 0.491 0.914 0.614 CB 1.851 71 residues pruned to eliminate duplicates Z: 45 55.501 2.576 0.879 0.516 0.886 0.591 CB 1.919 45 residues pruned to eliminate duplicates Z: 113 75.120 2.470 0.962 0.450 0.875 0.625 CB 1.762 113 residues pruned to eliminate duplicates Z: 49 54.803 2.618 0.886 0.459 0.875 0.583 CB 1.908 49 residues pruned to eliminate duplicates Z: 76 66.785 2.530 0.894 0.470 0.920 0.493 CB 1.803 76 residues pruned to eliminate duplicates Z: 48 50.398 2.531 0.936 0.471 0.830 0.596 CB 1.861 48 residues pruned to eliminate duplicates Z: 112 76.639 2.477 0.876 0.472 0.910 0.613 CB 1.770 112 residues pruned to eliminate duplicates Z: 45 59.418 2.564 1.085 0.514 0.886 0.591 CB 1.864 45 residues pruned to eliminate duplicates Z: 112 74.084 2.460 0.876 0.460 0.919 0.541 CB 1.727 112 residues pruned to eliminate duplicates Z: 52 57.096 2.559 0.850 0.461 0.922 0.569 CB 1.906 52 residues pruned to eliminate duplicates Z: 33 42.602 2.546 0.858 0.524 0.875 0.625 CB 1.776 33 residues pruned to eliminate duplicates Z: 72 62.699 2.559 0.899 0.491 0.845 0.648 CB 1.829 72 residues pruned to eliminate duplicates Z: 75 62.581 2.523 0.919 0.483 0.878 0.608 CB 1.740 75 residues pruned to eliminate duplicates Z: 48 63.118 2.613 0.995 0.463 0.957 0.596 CB 1.916 48 residues pruned to eliminate duplicates Z: 116 80.469 2.476 0.935 0.483 0.913 0.609 CB 1.746 116 residues pruned to eliminate duplicates Z: 74 71.679 2.528 0.989 0.481 0.932 0.534 CB 1.826 74 residues pruned to eliminate duplicates Z: 76 62.601 2.482 0.949 0.477 0.893 0.613 CB 1.712 76 residues pruned to eliminate duplicates Z: 51 57.701 2.578 0.973 0.469 0.900 0.540 CB 1.839 51 residues pruned to eliminate duplicates Z: 116 79.126 2.475 0.971 0.480 0.896 0.591 CB 1.724 116 residues pruned to eliminate duplicates Z: 76 63.855 2.522 0.945 0.460 0.880 0.587 CB 1.779 76 residues pruned to eliminate duplicates Z: 36 40.282 2.498 0.881 0.399 0.857 0.457 CB 1.880 36 residues pruned to eliminate duplicates Z: 104 71.318 2.355 0.923 0.493 0.922 0.660 CB 1.694 92 residues pruned to eliminate duplicates Z: 7 8.320 2.376 0.535 0.416 0.667 0.333 CA 1.525 7 residues pruned to eliminate duplicates Z: 47 54.683 2.539 1.042 0.504 0.848 0.587 CB 1.826 47 residues pruned to eliminate duplicates Z: 114 75.005 2.484 0.917 0.475 0.858 0.593 CB 1.772 114 residues pruned to eliminate duplicates Z: 50 53.222 2.580 0.991 0.463 0.857 0.571 CB 1.793 50 residues pruned to eliminate duplicates Z: 73 70.435 2.559 1.103 0.472 0.889 0.597 CB 1.786 73 residues pruned to eliminate duplicates Z: 37 38.801 2.511 0.700 0.429 0.917 0.583 CB 1.780 37 residues pruned to eliminate duplicates Z: 74 65.155 2.530 0.978 0.487 0.890 0.616 CB 1.734 74 residues pruned to eliminate duplicates Z: 54 54.204 2.494 0.958 0.432 0.943 0.585 CB 1.734 54 residues pruned to eliminate duplicates Z: 36 34.595 2.555 0.817 0.338 0.829 0.514 CB 1.814 36 residues pruned to eliminate duplicates Z: 23 37.778 2.492 1.093 0.382 0.955 0.545 CB 1.834 23 residues pruned to eliminate duplicates Z: 90 72.621 2.472 0.960 0.479 0.944 0.607 CB 1.719 90 residues pruned to eliminate duplicates Z: 90 63.878 2.482 0.952 0.422 0.854 0.494 CB 1.776 90 residues pruned to eliminate duplicates Z: 69 60.755 2.448 0.890 0.484 0.897 0.603 CB 1.804 71 residues pruned to eliminate duplicates Z: 6 5.473 1.632 0.698 0.321 1.000 0.800 CB 1.075 4 residues pruned to eliminate duplicates Z: 13 29.456 2.368 0.947 0.757 0.833 0.583 CB 1.761 13 residues pruned to eliminate duplicates Z: 88 70.592 2.459 1.114 0.481 0.874 0.575 CB 1.699 88 residues pruned to eliminate duplicates Z: 28 39.715 2.400 1.045 0.562 0.889 0.593 CB 1.650 28 residues pruned to eliminate duplicates Z: 69 82.352 2.585 1.139 0.537 0.926 0.676 CB 1.880 69 residues pruned to eliminate duplicates Z: 28 37.914 2.409 0.885 0.560 0.889 0.519 CB 1.706 28 residues pruned to eliminate duplicates Z: 81 41.898 2.126 0.690 0.523 0.887 0.625 CB 1.436 81 residues pruned to eliminate duplicates Z: 26 39.995 2.478 0.868 0.588 0.920 0.520 CB 1.727 26 residues pruned to eliminate duplicates Z: 103 76.629 2.420 1.047 0.511 0.922 0.480 CB 1.644 103 residues pruned to eliminate duplicates Z: 26 39.000 2.476 0.872 0.599 0.840 0.640 CB 1.823 26 residues pruned to eliminate duplicates Z: 30 36.839 2.306 0.813 0.525 0.897 0.448 CB 1.780 30 residues pruned to eliminate duplicates Z: 26 41.255 2.498 0.879 0.603 0.880 0.680 CB 1.811 26 residues pruned to eliminate duplicates Z: 27 39.466 2.448 1.009 0.592 0.885 0.577 CB 1.629 27 residues pruned to eliminate duplicates Z: 27 39.847 2.467 1.021 0.538 0.885 0.538 CB 1.707 27 residues pruned to eliminate duplicates Z: 25 45.425 2.535 0.974 0.616 0.917 0.542 CB 1.812 25 residues pruned to eliminate duplicates Z: 42 37.016 2.375 0.885 0.536 0.780 0.561 CB 1.597 42 residues pruned to eliminate duplicates Z: 31 33.762 2.353 0.813 0.509 0.900 0.567 CB 1.591 31 residues pruned to eliminate duplicates Z: 27 45.292 2.428 0.971 0.615 0.962 0.654 CB 1.731 27 residues pruned to eliminate duplicates Z: 45 42.918 2.302 0.701 0.596 0.932 0.750 CB 1.618 45 residues pruned to eliminate duplicates Z: 28 35.272 2.448 0.868 0.536 0.889 0.667 CB 1.613 28 residues pruned to eliminate duplicates Z: 27 37.562 2.456 0.948 0.561 0.846 0.538 CB 1.716 27 residues pruned to eliminate duplicates Z: 27 40.979 2.384 0.883 0.574 0.923 0.615 CB 1.807 27 residues pruned to eliminate duplicates Z: 26 44.364 2.448 1.073 0.609 0.880 0.640 CA 1.791 26 residues pruned to eliminate duplicates Z: 27 40.380 2.417 0.961 0.582 0.885 0.615 CB 1.747 27 residues pruned to eliminate duplicates Z: 29 29.202 2.333 0.580 0.529 0.893 0.821 CB 1.630 29 residues pruned to eliminate duplicates Z: 18 26.577 2.330 0.632 0.618 0.882 0.647 CA 1.718 18 residues pruned to eliminate duplicates Z: 18 23.403 2.229 0.577 0.622 0.824 0.647 CB 1.748 18 residues pruned to eliminate duplicates Z: 22 24.800 2.217 0.573 0.562 0.952 0.429 CB 1.534 22 residues pruned to eliminate duplicates Z: 20 22.483 2.214 0.350 0.741 0.895 0.632 CB 1.553 20 residues pruned to eliminate duplicates Z: 19 22.367 2.152 0.597 0.670 0.833 0.611 CB 1.574 19 residues pruned to eliminate duplicates Z: 24 29.157 2.342 0.574 0.658 0.870 0.652 CB 1.638 24 residues pruned to eliminate duplicates Z: 26 31.199 2.269 0.747 0.629 0.880 0.680 CB 1.584 26 residues pruned to eliminate duplicates Z: 51 30.936 2.047 0.560 0.560 0.900 0.660 CB 1.437 51 residues pruned to eliminate duplicates Z: 19 23.642 2.207 0.388 0.710 1.000 0.722 CB 1.504 19 residues pruned to eliminate duplicates Z: 27 25.476 2.236 0.563 0.621 0.846 0.654 CB 1.507 27 residues pruned to eliminate duplicates Z: 20 28.840 2.181 0.580 0.732 0.947 0.579 CB 1.644 20 residues pruned to eliminate duplicates Z: 19 27.681 2.318 0.574 0.707 0.944 0.889 CB 1.569 19 residues pruned to eliminate duplicates Z: 25 29.846 2.270 0.595 0.694 0.917 0.792 CB 1.537 25 residues pruned to eliminate duplicates Z: 25 23.002 2.198 0.397 0.619 0.917 0.708 CB 1.491 25 residues pruned to eliminate duplicates Z: 26 30.042 2.194 0.771 0.676 0.880 0.680 CB 1.493 26 residues pruned to eliminate duplicates Z: 50 30.004 2.017 0.713 0.575 0.837 0.653 CB 1.380 50 residues pruned to eliminate duplicates Z: 25 26.992 2.223 0.678 0.661 0.875 0.625 CB 1.453 25 residues pruned to eliminate duplicates Z: 6 2.260 1.611 0.591 0.113 0.600 0.200 N 1.072 6 residues pruned to eliminate duplicates Z: 17 9.412 1.882 0.582 0.233 0.812 0.375 CB 1.327 17 residues pruned to eliminate duplicates Z: 114 77.909 2.488 0.869 0.485 0.885 0.611 CB 1.808 114 residues pruned to eliminate duplicates Z: 10 12.776 1.965 0.663 0.438 0.889 0.444 CB 1.563 Z: 7 7.840 1.868 0.352 0.385 1.000 0.667 CB 1.432 6 residues pruned to eliminate duplicates Z: 6 8.910 1.982 0.772 0.569 0.800 0.800 CA 1.326 6 residues pruned to eliminate duplicates Z: 37 44.181 2.375 0.853 0.513 0.972 0.611 CB 1.698 48 residues pruned to eliminate duplicates Z: 113 76.829 2.489 0.833 0.491 0.902 0.580 CB 1.781 113 residues pruned to eliminate duplicates Z: 26 29.699 2.290 0.800 0.405 1.000 0.640 CB 1.592 Z: 8 7.246 1.783 0.575 0.593 1.000 0.714 CB 0.892 8 residues pruned to eliminate duplicates Z: 89 72.792 2.485 0.926 0.475 0.932 0.568 CB 1.784 68 residues pruned to eliminate duplicates Z: 6 3.015 1.811 0.075 0.182 0.800 0.600 CA 1.270 6 residues pruned to eliminate duplicates Z: 26 27.520 2.283 0.749 0.403 1.000 0.600 CB 1.527 26 residues pruned to eliminate duplicates Z: 89 67.133 2.442 0.875 0.459 0.943 0.625 CB 1.727 89 residues pruned to eliminate duplicates Z: 115 76.967 2.494 0.878 0.478 0.895 0.614 CB 1.760 115 residues pruned to eliminate duplicates Z: 30 35.404 2.339 0.904 0.484 0.862 0.586 CB 1.741 30 residues pruned to eliminate duplicates Z: 85 78.326 2.489 0.942 0.508 0.964 0.619 CB 1.818 84 residues pruned to eliminate duplicates Z: 6 3.150 1.736 1.064 0.100 0.600 0.200 CA 1.092 6 residues pruned to eliminate duplicates Z: 95 78.308 2.543 0.973 0.482 0.894 0.532 CB 1.834 95 residues pruned to eliminate duplicates Z: 91 75.914 2.494 0.905 0.486 0.944 0.611 CB 1.808 91 residues pruned to eliminate duplicates Z: 44 48.139 2.335 0.880 0.506 1.000 0.628 CB 1.662 44 residues pruned to eliminate duplicates Z: 28 39.858 2.303 1.239 0.595 0.889 0.519 CB 1.528 28 residues pruned to eliminate duplicates Z: 29 44.842 2.301 1.189 0.668 0.929 0.429 CB 1.551 29 residues pruned to eliminate duplicates Z: 29 46.219 2.290 1.285 0.637 0.964 0.643 CB 1.522 29 residues pruned to eliminate duplicates Z: 29 42.925 2.332 1.134 0.615 0.929 0.607 CB 1.575 29 residues pruned to eliminate duplicates Z: 29 45.481 2.286 1.258 0.626 0.929 0.679 CB 1.592 29 residues pruned to eliminate duplicates Z: 31 39.581 2.235 1.110 0.589 0.933 0.600 CB 1.508 31 residues pruned to eliminate duplicates Z: 27 48.669 2.405 1.175 0.654 0.962 0.692 CB 1.645 26 residues pruned to eliminate duplicates Z: 7 8.180 1.360 1.149 0.561 1.000 0.833 N 1.077 Z: 14 10.486 1.631 0.340 0.706 0.846 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 27 15.958 1.777 0.492 0.589 0.885 0.615 CB 1.225 27 residues pruned to eliminate duplicates Z: 24 16.865 1.803 0.375 0.625 0.957 0.739 CB 1.317 24 residues pruned to eliminate duplicates Z: 11 14.361 1.837 0.531 0.860 0.900 0.600 CB 1.319 11 residues pruned to eliminate duplicates Z: 10 12.657 1.943 0.098 0.898 1.000 0.889 CB 1.414 10 residues pruned to eliminate duplicates Z: 11 14.657 1.841 0.376 0.856 1.000 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 25 14.317 1.764 0.372 0.533 0.958 0.625 CB 1.220 25 residues pruned to eliminate duplicates Z: 25 14.260 1.790 0.310 0.568 0.917 0.667 CB 1.268 25 residues pruned to eliminate duplicates Z: 27 13.770 1.765 0.404 0.481 0.923 0.731 CB 1.203 27 residues pruned to eliminate duplicates Z: 27 14.693 1.770 0.371 0.582 0.885 0.654 CB 1.240 27 residues pruned to eliminate duplicates Z: 16 13.063 1.808 0.488 0.498 0.933 0.800 CB 1.345 16 residues pruned to eliminate duplicates Z: 27 15.632 1.718 0.418 0.599 0.962 0.538 CB 1.192 27 residues pruned to eliminate duplicates Z: 36 16.214 1.812 0.369 0.525 0.857 0.686 CB 1.258 33 residues pruned to eliminate duplicates Z: 11 8.364 1.563 0.446 0.711 1.000 0.800 CB 0.966 11 residues pruned to eliminate duplicates Z: 24 17.251 1.777 0.583 0.567 0.913 0.652 CB 1.313 24 residues pruned to eliminate duplicates Z: 20 12.565 1.755 0.482 0.473 0.895 0.579 CB 1.273 20 residues pruned to eliminate duplicates Z: 23 15.096 1.674 0.766 0.516 0.909 0.727 CB 1.179 24 residues pruned to eliminate duplicates Z: 10 7.340 1.538 0.343 0.912 1.000 0.778 CB 0.839 10 residues pruned to eliminate duplicates Z: 16 15.119 1.703 0.700 0.733 1.000 0.867 CB 1.094 16 residues pruned to eliminate duplicates Z: 21 14.199 1.648 0.607 0.564 1.000 0.650 CB 1.127 21 residues pruned to eliminate duplicates Z: 29 18.845 1.741 0.499 0.661 1.000 0.714 CB 1.176 29 residues pruned to eliminate duplicates Z: 13 6.463 1.587 0.534 0.389 0.750 0.583 CB 1.150 13 residues pruned to eliminate duplicates Z: 26 14.720 1.733 0.449 0.499 0.880 0.680 CB 1.335 26 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 13 B: 19 C: 146 D: 24 E: 60 F: 81 G: 28 H: 37 CC for partial structure against native data = 40.22 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.555, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.634, Connect. = 0.786 for dens.mod. cycle 2 = 0.300, Contrast = 0.759, Connect. = 0.808 for dens.mod. cycle 3 = 0.300, Contrast = 0.770, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.783, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.793, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.795, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.797, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.798, Connect. = 0.816 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.82 - 3.01 - 2.62 - 2.38 - 2.21 - 2.07 - 1.97 - 1.88 - 1.81 - 1.75 0.749 0.762 0.749 0.758 0.752 0.722 0.671 0.632 0.595 0.556 0.894 0.904 0.896 0.899 0.887 0.843 0.784 0.730 0.693 0.640 N 5690 5744 5769 5634 5610 6070 5463 5949 5460 5442 Estimated mean FOM = 0.696 Pseudo-free CC = 71.78 % TimeTaking 231.25