++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 19:27:25 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: ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.ins Phases from ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.phi Native data from ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.hkl Listing output to ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.lst Phases output to ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.phs Poly-Ala trace output to ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 53519 Reflections read from file ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.phi 53519 Reflections read from file ./2fna-2.0-parrot-mrncs/2fna-2.0-parrot-mrncs.hkl 53519 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by 0.000021h^2 +0.000076k^2 -0.000117l^2 +0.000000kl -0.000097hl +0.000000hk 906 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 256 x 54 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.668 = 0.300, Contrast = 0.438, Connect. = 0.767 for dens.mod. cycle 1 = 0.300, Contrast = 0.483, Connect. = 0.756 for dens.mod. cycle 2 = 0.300, Contrast = 0.585, Connect. = 0.781 for dens.mod. cycle 3 = 0.300, Contrast = 0.617, Connect. = 0.789 for dens.mod. cycle 4 = 0.300, Contrast = 0.637, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 0.657, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.663, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.668, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3252 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 868 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 22.330 2.208 0.765 0.932 1.000 0.778 CB 1.334 B: 14 42.399 2.212 1.294 0.939 1.000 1.000 CB 1.611 C: 28 49.329 2.280 1.081 0.898 0.889 0.778 CB 1.610 D: 29 48.537 2.174 1.233 0.866 0.929 0.464 CB 1.489 29 residues pruned to eliminate duplicates E: 45 48.155 2.154 1.011 0.828 0.841 0.409 CB 1.501 28 residues pruned to eliminate duplicates F: 11 19.495 2.076 0.943 0.907 0.900 0.700 CB 1.207 11 residues pruned to eliminate duplicates G: 12 20.861 1.958 1.085 0.839 0.909 0.636 CB 1.265 10 residues pruned to eliminate duplicates H: 12 17.889 1.907 0.881 0.852 1.000 0.818 CB 1.112 12 residues pruned to eliminate duplicates I: 13 38.208 2.190 1.232 0.925 1.000 0.833 CB 1.583 13 residues pruned to eliminate duplicates J: 16 29.981 1.936 1.016 0.932 1.000 0.933 CB 1.385 K: 32 41.664 2.113 0.882 0.850 0.903 0.806 CB 1.543 32 residues pruned to eliminate duplicates L: 30 26.056 1.956 0.796 0.702 0.897 0.621 CB 1.278 M: 9 18.209 2.219 0.492 0.829 1.000 0.875 CA 1.463 N: 10 20.733 2.116 0.680 0.922 1.000 1.000 CB 1.367 O: 22 47.827 2.305 0.958 0.945 1.000 0.810 CB 1.600 22 residues pruned to eliminate duplicates P: 32 46.099 2.181 1.035 0.832 0.871 0.677 CB 1.608 32 residues pruned to eliminate duplicates Q: 14 37.066 2.185 1.092 0.920 0.923 0.923 CB 1.717 14 residues pruned to eliminate duplicates R: 7 20.930 2.282 0.819 0.734 1.000 1.000 CA 1.669 7 residues pruned to eliminate duplicates S: 24 49.126 2.304 0.954 0.914 1.000 0.739 CA 1.609 23 residues pruned to eliminate duplicates T: 28 53.895 2.170 1.236 0.941 0.963 0.370 CB 1.541 28 residues pruned to eliminate duplicates U: 14 29.212 2.166 1.251 0.897 1.000 0.846 CB 1.189 V: 30 48.528 2.202 1.152 0.840 0.897 0.655 CB 1.583 30 residues pruned to eliminate duplicates W: 7 8.098 1.589 0.271 0.829 1.000 0.833 CB 1.231 X: 16 31.007 2.085 1.034 0.920 1.000 0.867 CA 1.330 Y: 15 30.438 1.964 1.050 0.904 1.000 0.643 CB 1.439 15 residues pruned to eliminate duplicates Z: 13 38.936 2.134 1.307 0.925 1.000 0.917 CA 1.603 Z: 17 11.380 1.882 0.514 0.419 1.000 0.375 CB 1.086 Z: 16 33.193 1.993 1.455 0.903 1.000 1.000 CA 1.249 14 residues pruned to eliminate duplicates Z: 28 50.980 2.243 1.234 0.935 0.926 0.407 CB 1.474 28 residues pruned to eliminate duplicates Z: 13 38.706 2.219 1.636 0.933 1.000 0.750 CA 1.334 16 residues pruned to eliminate duplicates Z: 15 26.139 2.194 0.871 0.904 1.000 1.000 CB 1.212 15 residues pruned to eliminate duplicates Z: 45 36.609 1.857 0.733 0.863 0.955 0.705 CB 1.318 Z: 17 28.053 1.879 1.024 0.916 0.938 0.438 CB 1.389 17 residues pruned to eliminate duplicates Z: 17 22.809 2.006 1.047 0.896 0.875 0.688 CA 1.137 15 residues pruned to eliminate duplicates Z: 16 37.288 2.139 1.208 0.940 1.000 0.800 CA 1.416 15 residues pruned to eliminate duplicates Z: 14 30.975 2.158 0.776 0.919 1.000 0.923 CB 1.579 14 residues pruned to eliminate duplicates Z: 44 30.044 1.836 0.659 0.840 0.907 0.814 CB 1.237 44 residues pruned to eliminate duplicates Z: 45 55.244 2.140 0.927 0.869 0.932 0.795 CB 1.582 45 residues pruned to eliminate duplicates Z: 88 46.394 1.995 0.937 0.584 0.897 0.644 CB 1.325 66 residues pruned to eliminate duplicates Z: 12 19.682 1.756 0.889 0.875 1.000 0.818 CB 1.301 Z: 17 31.337 2.018 0.908 0.785 1.000 0.750 CA 1.583 17 residues pruned to eliminate duplicates Z: 24 19.950 1.780 0.609 0.623 0.957 0.739 CB 1.352 Z: 20 24.377 2.157 0.796 0.553 0.895 0.474 CB 1.532 Z: 15 35.716 2.034 1.270 0.894 1.000 0.643 CA 1.483 15 residues pruned to eliminate duplicates Z: 18 19.596 1.775 0.330 0.903 1.000 0.882 CB 1.435 Z: 9 26.444 2.096 1.043 0.907 1.000 0.500 CB 1.553 9 residues pruned to eliminate duplicates Z: 25 30.177 2.225 0.933 0.512 0.917 0.542 CB 1.544 20 residues pruned to eliminate duplicates Z: 10 12.853 2.123 1.095 0.915 1.000 1.000 CB 0.681 10 residues pruned to eliminate duplicates Z: 43 36.995 1.903 0.850 0.847 0.905 0.786 CB 1.330 44 residues pruned to eliminate duplicates Z: 11 15.362 1.751 1.092 0.879 0.800 0.500 CA 1.203 Z: 12 19.487 1.925 0.714 0.893 0.909 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 43 26.860 1.905 0.699 0.644 0.881 0.643 CB 1.270 41 residues pruned to eliminate duplicates Z: 14 38.970 2.200 1.151 0.936 1.000 0.692 CB 1.591 14 residues pruned to eliminate duplicates Z: 29 50.449 2.183 0.907 0.931 1.000 0.857 CB 1.601 29 residues pruned to eliminate duplicates Z: 13 27.440 2.217 1.106 0.892 1.000 0.917 CB 1.219 13 residues pruned to eliminate duplicates Z: 11 22.979 2.089 1.044 0.860 0.900 0.700 CB 1.390 11 residues pruned to eliminate duplicates Z: 7 16.833 2.239 0.447 0.711 1.000 0.667 CB 1.753 7 residues pruned to eliminate duplicates Z: 14 45.246 2.217 1.288 0.940 1.000 0.923 CB 1.717 14 residues pruned to eliminate duplicates Z: 10 18.023 2.085 0.741 0.912 0.889 0.667 CB 1.319 10 residues pruned to eliminate duplicates Z: 23 32.973 2.045 0.826 0.948 0.955 0.864 CB 1.362 23 residues pruned to eliminate duplicates Z: 11 18.201 1.959 0.751 0.870 1.000 1.000 CA 1.225 Z: 27 41.862 2.007 1.035 0.933 1.000 0.808 CB 1.403 28 residues pruned to eliminate duplicates Z: 41 27.362 2.115 0.622 0.450 0.950 0.450 CB 1.398 41 residues pruned to eliminate duplicates Z: 9 13.478 1.883 0.247 0.887 1.000 0.875 CA 1.463 Z: 13 36.203 2.195 1.039 0.937 1.000 0.917 CB 1.625 13 residues pruned to eliminate duplicates Z: 44 60.301 2.199 1.029 0.829 0.930 0.651 CB 1.667 46 residues pruned to eliminate duplicates Z: 17 28.227 2.090 1.118 0.850 0.875 0.750 CA 1.350 17 residues pruned to eliminate duplicates Z: 12 18.256 1.850 0.645 0.837 1.000 0.636 CB 1.353 12 residues pruned to eliminate duplicates Z: 44 58.897 2.165 1.109 0.844 0.930 0.488 CB 1.573 44 residues pruned to eliminate duplicates Z: 28 51.314 2.209 1.106 0.936 1.000 0.519 CB 1.478 27 residues pruned to eliminate duplicates Z: 40 32.802 2.067 0.761 0.513 0.974 0.641 CB 1.462 40 residues pruned to eliminate duplicates Z: 13 29.293 2.227 1.251 0.882 1.000 1.000 CB 1.220 13 residues pruned to eliminate duplicates Z: 17 35.272 2.005 1.318 0.877 1.000 0.562 CB 1.378 16 residues pruned to eliminate duplicates Z: 14 37.107 2.206 1.030 0.936 1.000 0.923 CB 1.600 14 residues pruned to eliminate duplicates Z: 16 25.974 1.986 1.109 0.842 0.933 0.867 CA 1.279 16 residues pruned to eliminate duplicates Z: 33 34.751 2.205 0.937 0.533 0.906 0.562 CB 1.537 29 residues pruned to eliminate duplicates Z: 45 50.424 2.147 0.846 0.845 0.886 0.568 CB 1.610 45 residues pruned to eliminate duplicates Z: 15 25.440 2.176 1.103 0.889 1.000 0.714 CB 1.070 15 residues pruned to eliminate duplicates Z: 11 23.232 2.042 0.764 0.879 1.000 0.900 CB 1.479 11 residues pruned to eliminate duplicates Z: 14 44.028 2.227 1.351 0.942 1.000 0.923 CB 1.617 14 residues pruned to eliminate duplicates Z: 18 30.659 2.016 1.208 0.904 1.000 0.765 CB 1.190 Z: 46 32.384 1.954 0.693 0.641 0.956 0.733 CB 1.338 46 residues pruned to eliminate duplicates Z: 15 35.235 2.044 1.227 0.918 1.000 0.929 CA 1.459 16 residues pruned to eliminate duplicates Z: 17 10.222 1.796 0.611 0.412 0.750 0.438 CB 1.290 8 residues pruned to eliminate duplicates Z: 11 20.425 2.104 0.662 0.881 0.900 0.900 CB 1.486 11 residues pruned to eliminate duplicates Z: 23 19.544 1.902 0.544 0.662 0.864 0.682 CB 1.414 Z: 17 18.637 1.889 0.778 0.909 0.938 0.875 CB 1.050 17 residues pruned to eliminate duplicates Z: 46 54.457 2.118 0.956 0.856 0.933 0.689 CB 1.548 45 residues pruned to eliminate duplicates Z: 29 46.975 2.209 0.938 0.886 0.929 0.750 CB 1.611 29 residues pruned to eliminate duplicates Z: 14 35.613 2.046 1.369 0.939 1.000 0.692 CB 1.416 14 residues pruned to eliminate duplicates Z: 11 17.179 1.972 0.563 0.826 1.000 0.800 CA 1.329 11 residues pruned to eliminate duplicates Z: 21 32.142 2.030 0.919 0.917 0.950 0.750 CB 1.370 21 residues pruned to eliminate duplicates Z: 14 32.580 2.186 1.497 0.896 1.000 0.692 CB 1.186 14 residues pruned to eliminate duplicates Z: 28 37.393 1.991 0.892 0.923 0.963 0.889 CA 1.394 27 residues pruned to eliminate duplicates Z: 10 18.229 2.065 0.778 0.804 0.889 0.778 CB 1.427 Z: 11 25.580 1.943 1.351 0.915 1.000 0.600 CB 1.251 10 residues pruned to eliminate duplicates Z: 18 29.214 1.997 0.994 0.780 0.882 0.588 CA 1.576 19 residues pruned to eliminate duplicates Z: 10 29.991 2.097 1.092 0.919 1.000 0.889 CA 1.607 10 residues pruned to eliminate duplicates Z: 7 21.083 2.108 0.826 0.879 1.000 0.500 CA 1.621 7 residues pruned to eliminate duplicates Z: 17 32.463 2.093 1.272 0.917 1.000 0.812 CB 1.205 18 residues pruned to eliminate duplicates Z: 15 24.598 2.066 0.790 0.879 0.929 0.929 CB 1.389 15 residues pruned to eliminate duplicates Z: 13 17.417 1.863 0.580 0.829 1.000 0.833 CA 1.285 13 residues pruned to eliminate duplicates Z: 13 12.979 1.856 0.792 0.813 0.833 0.667 CB 1.030 13 residues pruned to eliminate duplicates Z: 11 23.047 1.929 0.824 0.866 1.000 0.700 CB 1.516 10 residues pruned to eliminate duplicates Z: 12 17.839 1.836 0.872 0.915 1.000 1.000 CB 1.106 Z: 8 20.469 2.189 0.798 0.805 1.000 0.571 CA 1.507 8 residues pruned to eliminate duplicates Z: 18 26.826 1.995 1.109 0.918 0.941 0.471 CB 1.159 18 residues pruned to eliminate duplicates Z: 47 45.794 2.027 0.789 0.707 0.978 0.826 CB 1.576 30 residues pruned to eliminate duplicates Z: 10 23.491 2.091 0.783 0.852 1.000 0.778 CB 1.553 10 residues pruned to eliminate duplicates Z: 17 29.119 2.060 0.827 0.825 0.875 0.688 CB 1.668 17 residues pruned to eliminate duplicates Z: 16 30.178 2.026 1.150 0.839 1.000 0.800 CA 1.335 16 residues pruned to eliminate duplicates Z: 22 19.885 1.948 0.998 0.589 0.857 0.381 CB 1.195 21 residues pruned to eliminate duplicates Z: 77 34.587 1.962 0.814 0.501 0.895 0.553 CB 1.245 74 residues pruned to eliminate duplicates Z: 29 36.793 1.964 0.894 0.911 0.964 0.893 CB 1.374 29 residues pruned to eliminate duplicates Z: 11 17.615 1.882 0.531 0.885 1.000 0.900 CB 1.395 11 residues pruned to eliminate duplicates Z: 10 11.600 1.747 0.356 0.762 0.889 0.778 CA 1.455 10 residues pruned to eliminate duplicates Z: 16 35.559 2.124 1.272 0.901 0.933 0.800 CA 1.455 17 residues pruned to eliminate duplicates Z: 15 31.902 2.016 0.924 0.923 1.000 0.643 CB 1.545 15 residues pruned to eliminate duplicates Z: 11 22.957 1.947 0.907 0.911 1.000 1.000 CB 1.386 11 residues pruned to eliminate duplicates Z: 19 30.812 1.961 0.758 0.845 1.000 0.667 CA 1.566 18 residues pruned to eliminate duplicates Z: 23 36.646 2.061 0.931 0.934 1.000 0.864 CB 1.369 23 residues pruned to eliminate duplicates Z: 29 34.454 2.050 1.029 0.671 0.964 0.714 CB 1.387 20 residues pruned to eliminate duplicates Z: 8 12.385 1.851 0.760 0.761 0.857 0.714 CB 1.330 8 residues pruned to eliminate duplicates Z: 11 14.841 1.997 0.292 0.829 1.000 0.900 CA 1.368 11 residues pruned to eliminate duplicates Z: 27 40.742 2.010 0.995 0.930 1.000 0.885 CA 1.393 27 residues pruned to eliminate duplicates Z: 17 22.018 1.896 0.763 0.920 1.000 0.750 CB 1.159 17 residues pruned to eliminate duplicates Z: 23 50.896 2.272 1.003 0.955 1.000 0.636 CB 1.639 23 residues pruned to eliminate duplicates Z: 15 30.784 2.044 0.902 0.911 1.000 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 33 49.076 2.131 1.033 0.870 0.938 0.750 CA 1.560 33 residues pruned to eliminate duplicates Z: 6 5.098 1.351 0.526 0.748 0.800 0.600 O 1.108 6 residues pruned to eliminate duplicates Z: 13 15.744 1.758 0.661 0.914 1.000 0.833 CB 1.102 Z: 12 16.431 1.854 0.688 0.855 0.818 0.636 CA 1.428 12 residues pruned to eliminate duplicates Z: 12 18.007 1.888 0.550 0.805 1.000 0.818 CB 1.421 13 residues pruned to eliminate duplicates Z: 14 39.577 2.004 1.497 0.912 1.000 0.923 CA 1.554 15 residues pruned to eliminate duplicates Z: 19 20.396 1.729 0.497 0.878 1.000 0.778 CB 1.348 19 residues pruned to eliminate duplicates Z: 11 18.216 1.928 0.590 0.734 1.000 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 12 21.293 1.860 0.829 0.904 1.000 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 22 14.477 1.875 0.994 0.359 0.714 0.381 CB 1.377 22 residues pruned to eliminate duplicates Z: 18 23.940 1.801 0.649 0.909 1.000 0.706 CB 1.387 18 residues pruned to eliminate duplicates Z: 14 39.922 2.020 1.566 0.950 1.000 0.692 CB 1.473 14 residues pruned to eliminate duplicates Z: 15 30.924 2.025 0.895 0.922 1.000 0.714 CA 1.514 15 residues pruned to eliminate duplicates Z: 12 18.317 2.134 0.857 0.713 0.909 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 12 17.869 1.784 0.754 0.701 0.909 0.636 CB 1.578 12 residues pruned to eliminate duplicates Z: 18 20.651 1.791 0.434 0.900 1.000 0.706 CB 1.393 18 residues pruned to eliminate duplicates Z: 15 21.659 1.946 0.846 0.945 1.000 1.000 CB 1.115 15 residues pruned to eliminate duplicates Z: 15 30.757 2.025 1.011 0.879 1.000 0.643 CB 1.463 15 residues pruned to eliminate duplicates Z: 62 39.032 2.031 0.677 0.591 0.934 0.738 CB 1.440 58 residues pruned to eliminate duplicates Z: 58 34.263 1.932 0.722 0.624 0.877 0.649 CB 1.383 46 residues pruned to eliminate duplicates Z: 23 38.574 2.060 1.005 0.955 1.000 0.773 CB 1.369 23 residues pruned to eliminate duplicates Z: 17 27.031 2.091 0.776 0.884 1.000 0.812 CB 1.314 17 residues pruned to eliminate duplicates Z: 15 16.579 2.089 0.944 0.626 0.714 0.286 CA 1.357 7 residues pruned to eliminate duplicates Z: 17 20.458 1.811 0.447 0.930 1.000 0.938 CB 1.365 17 residues pruned to eliminate duplicates Z: 15 35.230 2.184 1.383 0.884 0.929 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 19 18.892 1.684 0.498 0.848 1.000 0.778 CB 1.309 19 residues pruned to eliminate duplicates Z: 10 20.164 1.857 0.793 0.907 1.000 0.889 CB 1.435 10 residues pruned to eliminate duplicates Z: 12 19.133 1.797 1.441 0.842 0.909 0.182 CB 1.078 12 residues pruned to eliminate duplicates Z: 28 42.994 2.237 0.891 0.903 0.889 0.704 CB 1.568 28 residues pruned to eliminate duplicates Z: 15 19.940 1.787 0.585 0.900 1.000 0.643 CB 1.345 15 residues pruned to eliminate duplicates Z: 34 30.944 1.968 0.813 0.712 0.939 0.697 CB 1.326 29 residues pruned to eliminate duplicates Z: 11 13.491 1.763 0.727 0.719 0.900 0.600 CA 1.277 11 residues pruned to eliminate duplicates Z: 11 10.933 1.683 0.327 0.711 0.900 0.600 N 1.421 11 residues pruned to eliminate duplicates Z: 6 3.589 1.555 0.444 0.574 0.800 0.800 N 0.832 6 residues pruned to eliminate duplicates Z: 11 16.642 1.940 0.703 0.864 1.000 0.900 CB 1.168 11 residues pruned to eliminate duplicates Z: 15 26.729 1.963 0.901 0.882 1.000 0.643 CB 1.385 15 residues pruned to eliminate duplicates Z: 11 20.132 1.933 0.690 0.833 1.000 0.900 CA 1.461 11 residues pruned to eliminate duplicates Z: 12 16.972 1.872 0.417 0.843 1.000 0.909 CA 1.436 12 residues pruned to eliminate duplicates Z: 15 17.515 1.810 0.522 0.837 0.929 0.857 CB 1.368 15 residues pruned to eliminate duplicates Z: 52 37.785 2.026 1.018 0.553 0.941 0.608 CB 1.305 53 residues pruned to eliminate duplicates Z: 24 21.035 1.760 0.617 0.692 0.957 0.696 CB 1.352 24 residues pruned to eliminate duplicates Z: 18 33.226 2.023 0.966 0.838 1.000 0.647 CB 1.514 18 residues pruned to eliminate duplicates Z: 11 25.259 2.110 1.045 0.914 1.000 0.600 CB 1.309 11 residues pruned to eliminate duplicates Z: 20 21.062 1.698 0.520 0.925 0.947 0.789 CB 1.386 20 residues pruned to eliminate duplicates Z: 11 19.065 1.850 0.930 0.803 0.900 0.500 CB 1.440 11 residues pruned to eliminate duplicates Z: 16 31.521 2.064 1.295 0.888 0.933 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 13 13.337 1.792 0.547 0.928 1.000 0.917 CB 0.973 13 residues pruned to eliminate duplicates Z: 18 24.422 1.998 0.887 0.897 1.000 0.824 CB 1.124 18 residues pruned to eliminate duplicates Z: 15 17.818 1.967 0.376 0.904 1.000 0.857 CA 1.253 15 residues pruned to eliminate duplicates Z: 8 10.789 1.820 0.331 0.850 1.000 0.571 CB 1.248 8 residues pruned to eliminate duplicates Z: 27 36.473 1.996 0.844 0.923 0.962 0.846 CB 1.420 28 residues pruned to eliminate duplicates Z: 12 18.729 1.920 0.711 0.869 1.000 0.818 CB 1.256 12 residues pruned to eliminate duplicates Z: 12 15.341 1.857 0.715 0.847 1.000 0.727 CB 1.078 12 residues pruned to eliminate duplicates Z: 9 17.151 2.197 0.437 0.809 1.000 0.875 CA 1.468 9 residues pruned to eliminate duplicates Z: 10 10.976 2.042 0.833 0.648 0.667 0.444 CB 1.277 6 residues pruned to eliminate duplicates Z: 9 9.507 1.939 0.975 0.658 0.625 0.375 CB 1.213 8 residues pruned to eliminate duplicates Z: 52 37.990 1.967 0.729 0.645 0.941 0.627 CB 1.452 52 residues pruned to eliminate duplicates Z: 18 19.638 1.781 0.328 0.912 1.000 0.882 CB 1.427 18 residues pruned to eliminate duplicates Z: 20 19.948 1.735 0.580 0.896 0.947 0.737 CB 1.263 20 residues pruned to eliminate duplicates Z: 14 12.598 1.737 0.392 0.776 1.000 0.769 CA 1.132 11 residues pruned to eliminate duplicates Z: 17 27.248 2.035 0.776 0.816 0.875 0.750 CB 1.637 17 residues pruned to eliminate duplicates Z: 28 46.517 2.172 1.145 0.951 0.926 0.481 CB 1.430 28 residues pruned to eliminate duplicates Z: 19 26.394 1.754 0.843 0.912 0.944 0.778 CB 1.443 19 residues pruned to eliminate duplicates Z: 9 14.849 1.796 0.505 0.893 1.000 0.750 CB 1.394 10 residues pruned to eliminate duplicates Z: 44 57.147 2.178 1.114 0.853 0.907 0.581 CB 1.543 44 residues pruned to eliminate duplicates Z: 33 50.924 2.124 1.003 0.837 1.000 0.719 CB 1.582 33 residues pruned to eliminate duplicates Z: 79 38.245 1.982 0.824 0.569 0.897 0.603 CB 1.249 79 residues pruned to eliminate duplicates Z: 36 27.705 1.964 1.022 0.628 0.943 0.343 CB 1.109 36 residues pruned to eliminate duplicates Z: 18 18.469 1.802 0.521 0.904 0.941 0.647 CB 1.237 18 residues pruned to eliminate duplicates Z: 18 28.556 2.028 1.034 0.897 1.000 0.824 CB 1.202 18 residues pruned to eliminate duplicates Z: 17 26.319 2.079 0.832 0.892 1.000 0.875 CB 1.241 17 residues pruned to eliminate duplicates Z: 14 12.376 1.710 0.484 0.902 0.923 0.538 CB 1.045 14 residues pruned to eliminate duplicates Z: 24 20.942 1.791 0.632 0.649 0.913 0.696 CA 1.423 24 residues pruned to eliminate duplicates Z: 11 24.311 1.825 1.136 0.923 1.000 0.800 CB 1.387 11 residues pruned to eliminate duplicates Z: 11 14.311 1.667 0.544 0.903 0.900 0.800 O 1.393 Z: 11 20.349 1.920 0.611 0.923 1.000 0.900 CB 1.461 11 residues pruned to eliminate duplicates Z: 17 29.820 2.109 1.000 0.915 1.000 0.812 CB 1.250 17 residues pruned to eliminate duplicates Z: 11 20.082 1.974 0.889 0.890 1.000 0.800 CB 1.225 11 residues pruned to eliminate duplicates Z: 16 20.355 1.928 0.630 0.937 1.000 0.867 CB 1.164 16 residues pruned to eliminate duplicates Z: 46 49.499 2.090 0.995 0.816 0.867 0.400 CB 1.551 46 residues pruned to eliminate duplicates Z: 44 37.177 1.849 0.783 0.851 0.953 0.698 CB 1.335 43 residues pruned to eliminate duplicates Z: 12 5.892 1.699 0.261 0.369 0.818 0.636 CB 1.167 Z: 13 12.104 1.556 0.244 0.855 1.000 0.833 O 1.332 11 residues pruned to eliminate duplicates Z: 50 29.350 2.056 0.819 0.415 0.898 0.510 CB 1.364 50 residues pruned to eliminate duplicates Z: 38 35.748 2.051 0.864 0.684 0.919 0.676 CB 1.413 38 residues pruned to eliminate duplicates Z: 48 47.618 2.009 0.910 0.718 1.000 0.660 CB 1.487 48 residues pruned to eliminate duplicates Z: 36 22.997 1.933 0.738 0.458 0.857 0.600 CB 1.408 22 residues pruned to eliminate duplicates Z: 13 13.545 1.645 0.523 0.814 0.833 0.250 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 17.154 1.816 0.592 0.873 1.000 0.818 CA 1.303 14 residues pruned to eliminate duplicates Z: 17 24.996 2.068 0.644 0.914 1.000 0.938 CB 1.299 17 residues pruned to eliminate duplicates Z: 18 17.359 1.833 0.846 0.618 0.882 0.647 CA 1.260 15 residues pruned to eliminate duplicates Z: 16 24.201 1.956 0.866 0.900 0.933 0.667 CB 1.310 16 residues pruned to eliminate duplicates Z: 16 41.820 2.166 1.326 0.922 1.000 0.733 CB 1.507 16 residues pruned to eliminate duplicates Z: 16 26.342 1.932 0.892 0.896 1.000 0.733 CB 1.332 16 residues pruned to eliminate duplicates Z: 13 9.468 1.870 0.957 0.406 0.583 0.250 N 1.413 13 residues pruned to eliminate duplicates Z: 11 15.262 2.025 0.571 0.883 1.000 0.900 CB 1.097 11 residues pruned to eliminate duplicates Z: 15 17.363 1.683 0.854 0.832 0.929 0.500 CB 1.202 15 residues pruned to eliminate duplicates Z: 12 17.644 1.835 0.787 0.799 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 47 29.787 1.955 0.720 0.606 0.870 0.674 CB 1.358 47 residues pruned to eliminate duplicates Z: 35 29.508 2.113 0.922 0.459 0.853 0.500 CB 1.524 35 residues pruned to eliminate duplicates Z: 34 31.020 1.974 0.616 0.692 0.970 0.697 CB 1.465 35 residues pruned to eliminate duplicates Z: 17 26.373 2.032 0.942 0.879 1.000 0.812 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 6.623 1.848 0.429 0.723 0.800 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 10 16.470 1.938 1.050 0.848 0.778 0.444 CA 1.319 11 residues pruned to eliminate duplicates Z: 14 34.648 2.112 0.823 0.925 1.000 0.923 CB 1.752 14 residues pruned to eliminate duplicates Z: 17 11.853 1.869 0.628 0.395 0.812 0.500 CB 1.340 17 residues pruned to eliminate duplicates Z: 9 6.656 1.672 0.726 0.428 0.875 0.875 CB 1.004 Z: 46 38.699 2.009 0.731 0.715 0.933 0.822 CB 1.463 46 residues pruned to eliminate duplicates Z: 8 19.419 1.957 1.264 0.881 0.857 0.571 CA 1.400 8 residues pruned to eliminate duplicates Z: 14 15.108 1.757 0.854 0.890 0.923 0.615 CB 1.002 14 residues pruned to eliminate duplicates Z: 19 23.163 1.720 0.710 0.897 1.000 0.833 CB 1.328 19 residues pruned to eliminate duplicates Z: 23 30.746 2.007 0.740 0.912 0.955 0.909 CB 1.392 23 residues pruned to eliminate duplicates Z: 20 20.385 1.677 0.539 0.868 0.947 0.789 CB 1.398 20 residues pruned to eliminate duplicates Z: 61 35.486 2.100 0.715 0.476 0.900 0.600 CB 1.448 44 residues pruned to eliminate duplicates Z: 12 15.371 1.693 0.408 0.916 1.000 0.636 CA 1.374 12 residues pruned to eliminate duplicates Z: 62 63.393 2.169 1.014 0.783 0.934 0.705 CB 1.549 59 residues pruned to eliminate duplicates Z: 20 22.533 1.690 0.727 0.923 0.947 0.737 CB 1.314 20 residues pruned to eliminate duplicates Z: 8 15.352 1.953 0.641 0.894 1.000 0.857 CA 1.299 8 residues pruned to eliminate duplicates Z: 12 16.034 1.703 0.498 0.929 1.000 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 7 7.186 1.625 0.032 0.873 1.000 0.500 CB 1.274 7 residues pruned to eliminate duplicates Z: 44 29.580 1.957 0.880 0.633 0.837 0.605 CB 1.292 54 residues pruned to eliminate duplicates Z: 13 13.788 1.676 0.728 0.885 0.833 0.667 CB 1.191 13 residues pruned to eliminate duplicates Z: 10 15.053 1.750 0.643 0.816 1.000 0.889 CA 1.326 9 residues pruned to eliminate duplicates Z: 70 41.605 2.006 0.771 0.592 0.928 0.623 CB 1.393 71 residues pruned to eliminate duplicates Z: 15 16.419 1.519 0.705 0.845 0.929 0.643 CB 1.357 14 residues pruned to eliminate duplicates Z: 11 15.900 1.631 0.851 0.817 1.000 0.600 CB 1.264 11 residues pruned to eliminate duplicates Z: 8 19.252 1.965 0.932 0.869 1.000 0.857 CA 1.400 8 residues pruned to eliminate duplicates Z: 23 27.905 1.911 0.782 0.926 0.955 0.773 CB 1.284 23 residues pruned to eliminate duplicates Z: 18 23.793 1.818 0.758 0.906 1.000 0.647 CB 1.284 16 residues pruned to eliminate duplicates Z: 22 18.475 1.800 0.681 0.694 0.905 0.619 CB 1.234 22 residues pruned to eliminate duplicates Z: 62 31.596 2.031 0.777 0.439 0.836 0.541 CB 1.428 62 residues pruned to eliminate duplicates Z: 6 6.510 1.614 0.782 0.635 0.800 0.600 CB 1.115 5 residues pruned to eliminate duplicates Z: 13 19.712 1.826 0.777 0.874 1.000 0.833 CA 1.277 11 residues pruned to eliminate duplicates Z: 37 19.820 1.843 0.746 0.416 0.917 0.556 CB 1.223 37 residues pruned to eliminate duplicates Z: 11 28.016 2.043 1.092 0.913 1.000 1.000 CB 1.466 11 residues pruned to eliminate duplicates Z: 12 15.951 1.661 0.550 0.931 1.000 0.727 CB 1.306 12 residues pruned to eliminate duplicates Z: 8 10.647 2.087 0.580 0.552 1.000 0.857 CB 1.161 8 residues pruned to eliminate duplicates Z: 28 40.444 1.986 1.030 0.936 0.963 0.815 CB 1.397 28 residues pruned to eliminate duplicates Z: 12 9.323 1.787 0.708 0.546 0.727 0.364 CA 1.211 12 residues pruned to eliminate duplicates Z: 9 19.047 1.936 1.147 0.885 0.750 0.625 CA 1.559 9 residues pruned to eliminate duplicates Z: 14 26.682 2.028 1.282 0.911 0.923 0.769 CB 1.227 14 residues pruned to eliminate duplicates Z: 10 18.427 1.779 0.616 0.908 1.000 0.778 CB 1.517 10 residues pruned to eliminate duplicates Z: 6 6.783 1.698 0.747 0.588 1.000 0.600 CB 0.940 6 residues pruned to eliminate duplicates Z: 65 58.546 2.101 1.009 0.803 1.000 0.656 CB 1.331 153 residues pruned to eliminate duplicates Z: 14 21.452 1.801 0.986 0.890 1.000 0.846 CB 1.197 14 residues pruned to eliminate duplicates Z: 43 51.639 2.162 0.933 0.833 0.905 0.643 CB 1.581 43 residues pruned to eliminate duplicates Z: 18 26.705 1.799 0.862 0.938 1.000 0.647 CB 1.344 Z: 8 8.683 1.622 0.662 0.530 1.000 0.714 CB 1.182 8 residues pruned to eliminate duplicates Z: 8 13.330 1.867 0.685 0.878 1.000 0.857 CA 1.163 8 residues pruned to eliminate duplicates Z: 10 12.184 1.894 0.717 0.832 1.000 0.778 CB 0.937 10 residues pruned to eliminate duplicates Z: 13 35.583 2.205 1.314 0.925 1.000 0.917 CA 1.413 13 residues pruned to eliminate duplicates Z: 12 17.594 1.797 0.707 0.783 1.000 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 14 18.355 1.838 0.777 0.817 1.000 0.692 CA 1.184 14 residues pruned to eliminate duplicates Z: 13 12.959 1.644 0.277 0.870 1.000 0.667 CA 1.301 13 residues pruned to eliminate duplicates Z: 17 23.790 1.824 0.840 0.927 1.000 0.625 CB 1.242 17 residues pruned to eliminate duplicates Z: 8 6.068 1.674 0.374 0.610 1.000 0.571 CB 0.899 Z: 9 12.636 1.941 0.969 0.805 0.750 0.500 CA 1.194 8 residues pruned to eliminate duplicates Z: 18 27.972 2.017 0.732 0.821 0.882 0.647 CA 1.666 18 residues pruned to eliminate duplicates Z: 36 22.969 1.842 0.804 0.595 0.886 0.457 CB 1.205 45 residues pruned to eliminate duplicates Z: 26 18.860 1.743 0.510 0.700 0.960 0.760 CB 1.243 26 residues pruned to eliminate duplicates Z: 11 7.933 1.902 0.469 0.526 0.800 0.800 CB 1.094 11 residues pruned to eliminate duplicates Z: 8 18.609 2.078 0.891 0.826 0.857 0.714 CB 1.574 8 residues pruned to eliminate duplicates Z: 10 12.493 1.923 0.587 0.419 1.000 0.778 CA 1.484 10 residues pruned to eliminate duplicates Z: 10 6.188 1.679 0.487 0.466 0.778 0.556 CB 1.100 10 residues pruned to eliminate duplicates Z: 18 23.438 1.736 0.770 0.933 1.000 0.706 CB 1.290 18 residues pruned to eliminate duplicates Z: 11 23.671 1.927 0.943 0.884 1.000 1.000 CB 1.445 11 residues pruned to eliminate duplicates Z: 12 17.417 1.671 0.697 0.912 1.000 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 8 9.213 1.672 1.008 0.639 0.857 0.429 N 1.063 Z: 39 28.850 1.834 0.706 0.827 0.868 0.737 CB 1.298 39 residues pruned to eliminate duplicates Z: 7 6.867 1.695 0.317 0.615 0.833 0.500 CA 1.351 Z: 6 8.513 1.613 0.820 0.650 1.000 0.800 CB 1.128 Z: 15 40.827 2.224 1.411 0.915 1.000 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 9 17.788 1.889 1.003 0.876 0.875 0.625 CA 1.381 9 residues pruned to eliminate duplicates Z: 11 14.356 1.701 0.382 0.857 1.000 0.600 CB 1.423 11 residues pruned to eliminate duplicates Z: 19 26.363 1.902 0.848 0.843 0.944 0.722 CB 1.393 19 residues pruned to eliminate duplicates Z: 47 39.682 1.996 0.862 0.698 0.957 0.739 CB 1.374 17 residues pruned to eliminate duplicates Z: 13 17.304 1.879 0.598 0.796 0.917 0.417 CA 1.400 13 residues pruned to eliminate duplicates Z: 9 4.533 1.536 1.017 0.319 0.500 0.250 N 1.263 9 residues pruned to eliminate duplicates Z: 18 15.527 1.951 0.643 0.492 0.882 0.647 CB 1.342 12 residues pruned to eliminate duplicates Z: 9 21.634 2.095 0.641 0.899 1.000 1.000 CA 1.590 9 residues pruned to eliminate duplicates Z: 45 36.705 1.844 0.927 0.842 0.932 0.455 CB 1.245 44 residues pruned to eliminate duplicates Z: 12 16.950 1.709 0.465 0.921 1.000 0.818 CA 1.437 12 residues pruned to eliminate duplicates Z: 55 37.745 2.042 0.853 0.622 0.870 0.630 CB 1.391 55 residues pruned to eliminate duplicates Z: 48 38.519 1.993 1.121 0.731 0.872 0.574 CB 1.237 59 residues pruned to eliminate duplicates Z: 6 5.861 1.611 0.345 0.760 1.000 0.400 CA 0.960 6 residues pruned to eliminate duplicates Z: 45 67.434 2.168 1.103 0.874 1.000 0.591 CB 1.623 46 residues pruned to eliminate duplicates Z: 20 11.209 1.748 0.687 0.382 0.895 0.474 CB 1.106 15 residues pruned to eliminate duplicates Z: 12 23.966 1.918 1.352 0.864 0.909 0.727 CB 1.291 12 residues pruned to eliminate duplicates Z: 39 39.515 2.038 1.000 0.715 0.947 0.579 CB 1.366 39 residues pruned to eliminate duplicates Z: 9 12.632 1.817 1.081 0.807 0.750 0.375 CA 1.204 9 residues pruned to eliminate duplicates Z: 13 25.047 2.139 1.217 0.866 0.917 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 12 20.375 1.881 0.664 0.870 1.000 0.909 CA 1.432 12 residues pruned to eliminate duplicates Z: 37 29.138 1.912 0.678 0.569 0.972 0.611 CB 1.456 33 residues pruned to eliminate duplicates Z: 19 13.721 1.681 0.536 0.776 0.833 0.611 CB 1.178 Z: 6 4.238 1.563 0.274 0.607 1.000 1.000 N 0.860 Z: 6 2.197 1.653 -0.045 0.575 1.000 0.600 CB 0.579 Z: 11 15.653 1.891 0.447 0.855 1.000 0.600 CA 1.335 11 residues pruned to eliminate duplicates Z: 15 29.236 1.970 1.001 0.949 1.000 0.571 CB 1.368 15 residues pruned to eliminate duplicates Z: 14 12.277 1.671 0.300 0.905 1.000 0.692 CB 1.116 13 residues pruned to eliminate duplicates Z: 10 10.555 1.741 0.773 0.450 0.889 0.444 CA 1.349 10 residues pruned to eliminate duplicates Z: 19 23.338 1.730 0.610 0.922 1.000 0.889 CB 1.388 19 residues pruned to eliminate duplicates Z: 7 4.722 1.384 0.329 0.742 0.833 0.833 CA 1.012 Z: 21 18.507 1.599 0.382 0.900 1.000 0.850 CB 1.337 21 residues pruned to eliminate duplicates Z: 29 28.802 1.992 0.865 0.578 0.964 0.536 CB 1.409 29 residues pruned to eliminate duplicates Z: 11 11.836 1.960 0.576 0.586 0.800 0.500 CA 1.396 11 residues pruned to eliminate duplicates Z: 7 15.817 2.104 0.699 0.857 0.833 0.667 CA 1.597 7 residues pruned to eliminate duplicates Z: 20 22.468 1.716 0.875 0.899 0.895 0.684 CB 1.280 20 residues pruned to eliminate duplicates Z: 9 12.290 1.858 0.624 0.851 0.875 0.875 CB 1.219 9 residues pruned to eliminate duplicates Z: 17 16.870 1.919 0.596 0.557 0.875 0.500 CA 1.488 17 residues pruned to eliminate duplicates Z: 53 34.552 1.998 0.835 0.535 0.885 0.538 CB 1.427 29 residues pruned to eliminate duplicates Z: 52 30.913 2.074 0.842 0.481 0.863 0.471 CB 1.338 52 residues pruned to eliminate duplicates Z: 13 15.453 1.631 0.419 0.868 1.000 0.750 CA 1.409 13 residues pruned to eliminate duplicates Z: 8 17.929 1.962 0.600 0.895 1.000 0.286 CB 1.548 8 residues pruned to eliminate duplicates Z: 6 5.610 1.369 0.834 0.828 0.800 0.600 CB 0.941 Z: 8 4.149 1.345 0.660 0.680 1.000 0.571 CA 0.595 Z: 7 5.313 1.686 -0.033 0.758 0.833 0.333 CB 1.269 Z: 19 23.817 1.757 0.632 0.939 1.000 0.833 CB 1.360 23 residues pruned to eliminate duplicates Z: 6 3.797 1.595 0.665 0.264 0.800 0.400 CB 1.045 Z: 10 6.176 1.622 0.500 0.539 0.778 0.444 CB 1.047 9 residues pruned to eliminate duplicates Z: 16 16.311 1.922 0.544 0.909 1.000 0.800 CB 1.007 16 residues pruned to eliminate duplicates Z: 40 33.249 1.975 0.672 0.652 0.949 0.590 CB 1.474 41 residues pruned to eliminate duplicates Z: 15 21.474 1.928 0.673 0.901 1.000 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 58 38.309 1.963 0.793 0.640 0.895 0.614 CB 1.413 71 residues pruned to eliminate duplicates Z: 9 18.893 2.076 0.671 0.891 1.000 0.500 CA 1.384 9 residues pruned to eliminate duplicates Z: 84 44.796 1.950 0.991 0.628 0.880 0.566 CB 1.277 84 residues pruned to eliminate duplicates Z: 45 24.111 1.949 0.631 0.434 0.886 0.545 CB 1.382 45 residues pruned to eliminate duplicates Z: 10 17.304 1.838 1.264 0.821 0.778 0.556 CB 1.350 10 residues pruned to eliminate duplicates Z: 8 8.409 1.827 0.534 0.313 1.000 0.714 CA 1.394 8 residues pruned to eliminate duplicates Z: 27 36.815 2.023 1.015 0.932 0.923 0.423 CB 1.340 28 residues pruned to eliminate duplicates Z: 23 19.767 1.855 0.783 0.595 0.909 0.727 CB 1.280 23 residues pruned to eliminate duplicates Z: 13 15.506 1.671 0.747 0.928 1.000 1.000 CB 1.073 13 residues pruned to eliminate duplicates Z: 6 3.278 1.287 0.049 0.664 0.800 0.800 CA 1.167 Z: 59 32.012 1.893 0.708 0.626 0.914 0.552 CB 1.263 59 residues pruned to eliminate duplicates Z: 28 22.362 2.077 0.573 0.472 0.926 0.556 CB 1.463 29 residues pruned to eliminate duplicates Z: 29 42.550 1.972 1.191 0.941 1.000 0.643 CB 1.291 28 residues pruned to eliminate duplicates Z: 11 16.022 1.798 0.778 0.759 0.900 0.900 CA 1.398 11 residues pruned to eliminate duplicates Z: 12 21.862 1.904 1.205 0.818 0.909 0.727 CB 1.310 12 residues pruned to eliminate duplicates Z: 12 15.498 1.710 0.446 0.933 1.000 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 16 18.637 1.908 0.552 0.931 1.000 0.867 CB 1.136 16 residues pruned to eliminate duplicates Z: 39 22.924 2.079 0.716 0.397 0.868 0.421 CB 1.338 39 residues pruned to eliminate duplicates Z: 7 3.424 1.514 0.639 0.613 0.667 0.333 CA 0.759 7 residues pruned to eliminate duplicates Z: 13 15.856 1.815 0.923 0.880 1.000 0.750 CB 0.950 13 residues pruned to eliminate duplicates Z: 6 2.797 1.696 0.410 0.239 0.800 0.400 CB 0.885 6 residues pruned to eliminate duplicates Z: 16 24.981 1.816 0.818 0.923 1.000 0.867 CA 1.373 16 residues pruned to eliminate duplicates Z: 21 38.334 2.087 1.138 0.943 0.950 0.850 CB 1.401 21 residues pruned to eliminate duplicates Z: 19 23.819 1.919 0.759 0.703 0.889 0.722 CA 1.555 19 residues pruned to eliminate duplicates Z: 15 29.960 1.837 1.488 0.893 1.000 0.929 CB 1.257 15 residues pruned to eliminate duplicates Z: 16 21.350 1.935 0.758 0.932 1.000 0.867 CB 1.132 16 residues pruned to eliminate duplicates Z: 14 14.947 1.692 0.589 0.935 1.000 0.846 CB 1.074 14 residues pruned to eliminate duplicates Z: 20 24.787 1.706 0.679 0.946 1.000 0.895 CB 1.373 20 residues pruned to eliminate duplicates Z: 10 9.840 1.652 0.612 0.803 0.778 0.556 CB 1.215 10 residues pruned to eliminate duplicates Z: 9 6.628 1.665 0.267 0.453 0.875 0.375 CA 1.331 9 residues pruned to eliminate duplicates Z: 10 11.908 1.896 0.566 0.724 0.778 0.444 N 1.405 10 residues pruned to eliminate duplicates Z: 9 5.803 1.578 0.552 0.318 0.875 0.625 CB 1.172 8 residues pruned to eliminate duplicates Z: 27 60.099 2.284 1.273 0.937 1.000 0.577 CB 1.580 27 residues pruned to eliminate duplicates Z: 13 19.794 1.738 0.842 0.898 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 13 16.948 1.864 0.669 0.779 0.917 0.667 CA 1.342 13 residues pruned to eliminate duplicates 6 1.266 1.547 0.229 0.292 0.400 0.400 CB 0.940 ? Z: 15 33.222 2.047 1.244 0.917 0.929 0.714 CB 1.470 15 residues pruned to eliminate duplicates Z: 6 3.963 1.603 0.523 0.228 1.000 0.600 CB 0.997 Z: 19 23.189 1.738 0.759 0.942 1.000 0.944 CB 1.240 19 residues pruned to eliminate duplicates Z: 24 22.131 1.932 0.883 0.577 0.913 0.652 CA 1.290 24 residues pruned to eliminate duplicates Z: 6 11.593 1.775 0.877 0.701 1.000 0.600 CB 1.295 6 residues pruned to eliminate duplicates Z: 16 12.502 2.056 0.705 0.329 0.733 0.467 CB 1.515 16 residues pruned to eliminate duplicates Z: 6 11.384 1.753 0.734 0.821 1.000 1.000 CA 1.267 6 residues pruned to eliminate duplicates Z: 8 3.906 1.627 0.156 0.581 0.857 0.429 CB 0.848 Z: 6 4.275 1.745 0.399 0.345 0.800 0.400 O 1.158 6 residues pruned to eliminate duplicates Z: 12 10.646 1.616 0.428 0.873 0.727 0.636 O 1.393 12 residues pruned to eliminate duplicates Z: 12 17.617 1.830 0.848 0.900 1.000 0.727 CB 1.122 12 residues pruned to eliminate duplicates Z: 18 30.902 1.935 0.928 0.784 1.000 0.706 CA 1.564 18 residues pruned to eliminate duplicates Z: 26 35.326 2.043 0.972 0.940 0.920 0.560 CB 1.323 26 residues pruned to eliminate duplicates Z: 9 11.576 1.828 0.571 0.805 0.875 0.750 CB 1.248 9 residues pruned to eliminate duplicates Z: 15 14.703 1.616 0.785 0.871 1.000 0.786 CB 0.994 15 residues pruned to eliminate duplicates Z: 8 7.351 1.539 0.680 0.629 0.857 0.857 N 1.110 Z: 16 16.744 1.719 0.867 0.593 0.933 0.667 CB 1.320 9 residues pruned to eliminate duplicates Z: 12 3.553 1.416 0.400 0.216 0.818 0.273 CB 0.922 Z: 11 17.932 1.963 0.486 0.897 1.000 1.000 CB 1.391 11 residues pruned to eliminate duplicates Z: 12 15.080 1.755 0.653 0.873 0.909 0.818 CA 1.255 12 residues pruned to eliminate duplicates Z: 38 26.156 2.030 0.954 0.408 0.892 0.486 CB 1.339 38 residues pruned to eliminate duplicates Z: 16 35.292 2.111 1.340 0.877 1.000 0.933 CB 1.339 16 residues pruned to eliminate duplicates Z: 14 16.926 1.684 0.737 0.811 1.000 0.769 CB 1.224 13 residues pruned to eliminate duplicates Z: 16 29.965 1.932 0.986 0.941 1.000 0.733 CB 1.400 16 residues pruned to eliminate duplicates Z: 13 11.815 1.873 0.783 0.394 0.833 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 14 27.483 2.015 0.949 0.917 1.000 0.923 CA 1.370 14 residues pruned to eliminate duplicates Z: 11 16.338 1.877 1.006 0.853 0.900 0.600 CB 1.127 11 residues pruned to eliminate duplicates Z: 41 31.763 1.946 0.686 0.639 0.900 0.675 CB 1.494 41 residues pruned to eliminate duplicates Z: 14 28.248 2.072 0.811 0.860 0.923 0.692 CB 1.663 14 residues pruned to eliminate duplicates Z: 24 39.618 2.036 1.000 0.957 0.957 0.826 CB 1.456 24 residues pruned to eliminate duplicates Z: 22 39.067 2.051 1.002 0.956 1.000 0.905 CA 1.426 22 residues pruned to eliminate duplicates Z: 14 14.768 1.922 0.555 0.594 0.846 0.692 CA 1.481 14 residues pruned to eliminate duplicates Z: 28 38.308 1.984 1.076 0.942 0.926 0.481 CB 1.340 28 residues pruned to eliminate duplicates Z: 7 8.058 1.759 0.833 0.734 1.000 0.667 CB 0.827 Z: 15 22.308 1.952 1.000 0.925 0.929 0.357 CB 1.154 15 residues pruned to eliminate duplicates Z: 6 2.764 1.375 0.585 0.268 0.800 0.600 CB 0.923 Z: 17 8.261 1.650 0.345 0.531 0.750 0.562 CB 1.203 17 residues pruned to eliminate duplicates Z: 13 12.983 1.790 0.621 0.911 1.000 0.833 CB 0.915 18 residues pruned to eliminate duplicates Z: 11 28.509 2.005 1.174 0.917 1.000 0.900 CB 1.460 12 residues pruned to eliminate duplicates Z: 18 7.027 1.645 0.422 0.327 0.706 0.353 CB 1.249 14 residues pruned to eliminate duplicates Z: 9 22.261 1.907 1.442 0.859 0.875 0.500 CA 1.422 9 residues pruned to eliminate duplicates Z: 15 11.259 1.587 0.552 0.789 0.929 0.786 CB 1.021 15 residues pruned to eliminate duplicates Z: 18 30.203 2.024 1.123 0.753 1.000 0.471 CB 1.360 18 residues pruned to eliminate duplicates Z: 21 12.040 1.878 0.580 0.503 0.850 0.500 CB 1.064 20 residues pruned to eliminate duplicates Z: 18 18.194 1.777 0.921 0.611 0.824 0.588 CB 1.413 18 residues pruned to eliminate duplicates Z: 25 32.731 2.046 0.937 0.800 0.917 0.875 CB 1.414 25 residues pruned to eliminate duplicates Z: 34 22.077 1.835 0.384 0.642 0.909 0.606 CB 1.458 34 residues pruned to eliminate duplicates Z: 6 2.740 1.739 0.194 0.781 1.000 0.400 CB 0.461 6 residues pruned to eliminate duplicates Z: 8 8.197 1.552 0.697 0.487 1.000 0.857 CA 1.192 8 residues pruned to eliminate duplicates Z: 13 36.187 2.199 1.171 0.934 1.000 0.833 CB 1.526 13 residues pruned to eliminate duplicates Z: 46 29.860 1.980 0.765 0.469 0.889 0.489 CB 1.480 46 residues pruned to eliminate duplicates Z: 16 25.341 1.937 0.814 0.924 1.000 0.800 CA 1.308 16 residues pruned to eliminate duplicates Z: 12 12.343 1.613 0.488 0.803 0.909 0.636 O 1.309 12 residues pruned to eliminate duplicates Z: 20 15.866 1.643 0.623 0.877 0.895 0.737 CB 1.107 20 residues pruned to eliminate duplicates Z: 16 24.774 1.999 0.952 0.919 1.000 0.800 CB 1.156 16 residues pruned to eliminate duplicates Z: 10 5.233 1.587 0.728 0.386 0.889 0.444 CB 0.807 10 residues pruned to eliminate duplicates Z: 13 4.750 1.521 0.630 0.197 0.667 0.333 CB 1.190 13 residues pruned to eliminate duplicates Z: 18 25.422 1.782 0.727 0.940 1.000 0.941 CB 1.391 18 residues pruned to eliminate duplicates Z: 16 32.096 2.061 1.355 0.810 0.933 0.933 CB 1.397 16 residues pruned to eliminate duplicates Z: 16 19.724 1.905 0.829 0.910 1.000 0.800 CB 1.037 16 residues pruned to eliminate duplicates Z: 44 39.695 2.077 1.149 0.768 0.884 0.535 CB 1.211 44 residues pruned to eliminate duplicates Z: 11 20.115 1.855 0.795 0.901 1.000 1.000 CB 1.364 11 residues pruned to eliminate duplicates Z: 39 49.986 2.115 1.031 0.838 0.947 0.658 CB 1.489 39 residues pruned to eliminate duplicates Z: 27 44.055 2.179 1.266 0.928 0.885 0.231 CB 1.386 27 residues pruned to eliminate duplicates 6 1.321 1.495 0.478 0.456 0.600 0.400 CB 0.466 ? Z: 16 12.115 1.687 0.685 0.470 1.000 0.533 CB 1.134 16 residues pruned to eliminate duplicates Z: 45 61.339 2.156 1.114 0.851 0.955 0.705 CB 1.574 45 residues pruned to eliminate duplicates Z: 20 17.374 1.708 0.730 0.662 1.000 0.737 CB 1.161 20 residues pruned to eliminate duplicates Z: 9 10.675 1.941 0.709 0.477 0.875 0.625 CB 1.332 9 residues pruned to eliminate duplicates Z: 15 30.435 2.002 1.437 0.899 0.929 0.786 CA 1.283 15 residues pruned to eliminate duplicates Z: 24 31.222 1.991 0.746 0.927 1.000 0.783 CB 1.312 24 residues pruned to eliminate duplicates Z: 9 9.776 1.827 0.422 0.795 0.875 0.500 CA 1.174 9 residues pruned to eliminate duplicates Z: 22 12.736 1.744 0.489 0.569 0.857 0.476 CB 1.167 22 residues pruned to eliminate duplicates Z: 6 2.029 1.348 -0.228 0.628 1.000 0.400 CB 0.772 Z: 8 9.719 1.980 0.586 0.423 0.857 0.571 CA 1.479 8 residues pruned to eliminate duplicates Z: 10 5.273 1.512 0.035 0.424 1.000 0.556 CA 1.216 10 residues pruned to eliminate duplicates Z: 10 6.456 1.437 0.546 0.798 0.889 0.667 CB 0.840 Z: 8 20.571 2.124 0.728 0.864 1.000 0.571 CB 1.554 8 residues pruned to eliminate duplicates Z: 46 55.866 2.144 1.031 0.855 0.911 0.489 CB 1.549 46 residues pruned to eliminate duplicates Z: 6 2.091 1.399 0.196 0.396 0.800 0.800 N 0.779 6 1.670 1.448 0.462 0.271 0.800 0.600 N 0.572 ? Z: 27 21.930 1.895 0.905 0.582 0.885 0.577 CB 1.244 27 residues pruned to eliminate duplicates Z: 21 22.676 1.686 0.802 0.907 0.900 0.700 CB 1.319 21 residues pruned to eliminate duplicates Z: 28 30.547 2.067 1.118 0.676 0.926 0.704 CB 1.233 28 residues pruned to eliminate duplicates Z: 10 19.960 1.930 0.860 0.826 1.000 0.889 CB 1.398 11 residues pruned to eliminate duplicates Z: 33 18.048 1.818 0.589 0.536 0.875 0.344 CB 1.219 33 residues pruned to eliminate duplicates Z: 6 6.372 1.674 0.174 0.724 1.000 0.800 N 1.185 Z: 15 15.338 1.667 0.589 0.822 0.929 0.786 CB 1.261 15 residues pruned to eliminate duplicates Z: 7 6.492 1.585 0.572 0.532 0.833 0.667 N 1.237 7 residues pruned to eliminate duplicates Z: 31 22.396 1.970 0.812 0.468 0.933 0.600 CB 1.268 31 residues pruned to eliminate duplicates Z: 6 4.066 1.672 0.415 0.183 0.800 0.400 O 1.408 Z: 16 15.204 1.877 0.370 0.894 1.000 0.867 CB 1.095 16 residues pruned to eliminate duplicates Z: 51 52.404 2.095 0.959 0.735 0.920 0.720 CA 1.589 51 residues pruned to eliminate duplicates Z: 6 3.336 1.303 0.932 0.520 0.800 0.400 CB 0.726 Z: 17 14.738 1.968 0.738 0.537 0.688 0.375 CA 1.511 17 residues pruned to eliminate duplicates Z: 12 17.106 1.692 0.773 0.904 1.000 0.545 CB 1.224 12 residues pruned to eliminate duplicates Z: 34 45.186 2.126 0.985 0.728 0.909 0.697 CB 1.670 34 residues pruned to eliminate duplicates Z: 47 43.709 1.997 0.904 0.725 0.978 0.652 CB 1.414 48 residues pruned to eliminate duplicates Z: 7 2.116 1.270 0.460 0.767 0.667 0.500 CB 0.552 Z: 8 9.743 1.772 0.888 0.446 1.000 0.571 CA 1.163 8 residues pruned to eliminate duplicates Z: 17 24.148 1.922 1.001 0.913 1.000 0.750 CB 1.111 17 residues pruned to eliminate duplicates Z: 12 10.951 1.580 0.689 0.763 0.909 0.636 CA 1.078 12 residues pruned to eliminate duplicates Z: 23 18.902 1.817 0.592 0.589 0.955 0.682 CB 1.341 23 residues pruned to eliminate duplicates Z: 16 15.471 1.649 0.676 0.870 1.000 0.667 CB 1.056 16 residues pruned to eliminate duplicates Z: 6 3.572 1.619 0.035 0.670 0.800 0.400 C 1.019 Z: 6 4.185 1.311 0.716 0.846 1.000 0.600 CB 0.618 Z: 11 13.216 1.598 0.711 0.887 0.900 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 47 43.130 1.989 0.801 0.707 1.000 0.652 CB 1.471 47 residues pruned to eliminate duplicates Z: 21 19.905 1.660 0.650 0.886 0.950 0.700 CB 1.235 20 residues pruned to eliminate duplicates Z: 57 38.886 1.942 0.857 0.613 0.929 0.679 CB 1.395 57 residues pruned to eliminate duplicates Z: 10 20.025 1.898 0.632 0.920 1.000 0.889 CB 1.518 10 residues pruned to eliminate duplicates Z: 17 8.144 1.732 0.555 0.283 0.812 0.562 CB 1.188 17 residues pruned to eliminate duplicates Z: 43 18.478 1.764 0.683 0.487 0.786 0.476 CB 1.238 45 residues pruned to eliminate duplicates Z: 41 30.858 2.008 0.646 0.686 0.925 0.825 CB 1.346 41 residues pruned to eliminate duplicates Z: 15 26.509 1.942 0.887 0.905 1.000 0.929 CA 1.376 15 residues pruned to eliminate duplicates Z: 11 6.467 1.780 0.354 0.367 0.700 0.500 CA 1.398 11 residues pruned to eliminate duplicates Z: 12 15.776 1.715 0.527 0.928 1.000 0.818 CB 1.273 12 residues pruned to eliminate duplicates Z: 6 2.510 1.906 -0.056 0.101 0.800 0.200 CB 1.297 Z: 47 29.867 1.935 0.723 0.595 0.935 0.696 CB 1.290 47 residues pruned to eliminate duplicates Z: 20 19.176 1.673 0.565 0.891 1.000 0.842 CB 1.208 20 residues pruned to eliminate duplicates Z: 18 21.666 1.768 1.142 0.658 0.882 0.706 CA 1.358 30 residues pruned to eliminate duplicates Z: 13 4.041 1.513 0.441 0.210 0.750 0.333 CB 1.004 13 residues pruned to eliminate duplicates Z: 6 2.537 1.526 0.174 0.461 0.600 0.600 CB 1.098 Z: 35 24.418 1.966 0.712 0.451 0.971 0.559 CB 1.348 32 residues pruned to eliminate duplicates Z: 19 27.166 1.762 0.764 0.926 1.000 0.778 CB 1.445 19 residues pruned to eliminate duplicates Z: 16 24.998 1.886 0.967 0.907 0.933 0.667 CB 1.325 16 residues pruned to eliminate duplicates Z: 6 5.038 1.724 0.587 0.635 0.800 0.800 CB 0.907 Z: 15 18.944 1.913 0.780 0.911 1.000 0.643 CB 1.054 15 residues pruned to eliminate duplicates Z: 13 9.268 1.703 0.597 0.506 0.750 0.583 CB 1.304 13 residues pruned to eliminate duplicates Z: 18 23.374 1.733 0.807 0.905 1.000 0.588 CB 1.288 21 residues pruned to eliminate duplicates Z: 6 3.793 1.539 0.849 0.820 1.000 0.600 CB 0.451 6 residues pruned to eliminate duplicates Z: 20 22.571 1.698 0.588 0.946 0.947 0.737 CB 1.401 18 residues pruned to eliminate duplicates Z: 6 4.731 1.638 0.146 0.658 0.800 0.800 CB 1.216 6 residues pruned to eliminate duplicates Z: 15 11.701 1.665 0.526 0.745 0.857 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 20 21.402 1.692 0.909 0.899 0.895 0.579 CB 1.214 20 residues pruned to eliminate duplicates Z: 63 49.099 2.114 1.081 0.712 0.871 0.548 CB 1.343 63 residues pruned to eliminate duplicates Z: 17 12.261 1.651 0.503 0.834 0.812 0.625 CB 1.139 17 residues pruned to eliminate duplicates Z: 10 12.156 1.672 0.633 0.813 1.000 0.778 CB 1.131 10 residues pruned to eliminate duplicates Z: 6 6.113 1.550 0.660 0.652 1.000 0.600 CA 0.923 Z: 41 27.219 2.078 0.808 0.470 0.825 0.550 CB 1.431 41 residues pruned to eliminate duplicates Z: 42 28.273 1.868 0.591 0.695 0.927 0.683 CB 1.342 42 residues pruned to eliminate duplicates Z: 11 13.255 1.622 0.379 0.904 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 16 23.568 1.828 1.120 0.891 1.000 0.600 CB 1.128 16 residues pruned to eliminate duplicates Z: 7 5.086 1.627 0.348 0.834 0.667 0.667 CA 1.064 7 residues pruned to eliminate duplicates Z: 35 28.014 1.937 0.919 0.639 0.853 0.559 CB 1.331 35 residues pruned to eliminate duplicates Z: 15 17.757 1.950 0.552 0.909 1.000 0.929 CB 1.113 15 residues pruned to eliminate duplicates Z: 11 19.288 1.909 0.994 0.925 1.000 0.700 CB 1.125 11 residues pruned to eliminate duplicates Z: 14 6.808 1.626 0.635 0.584 0.769 0.692 CB 0.852 Z: 39 48.435 2.085 1.113 0.817 0.947 0.868 CB 1.430 39 residues pruned to eliminate duplicates Z: 31 23.865 1.811 0.803 0.554 0.867 0.333 CB 1.460 31 residues pruned to eliminate duplicates Z: 6 2.127 1.585 -0.143 0.435 0.800 0.800 CA 0.936 Z: 14 32.884 2.166 0.814 0.928 1.000 0.846 CB 1.626 14 residues pruned to eliminate duplicates Z: 15 30.749 2.125 1.197 0.929 1.000 0.429 CB 1.231 15 residues pruned to eliminate duplicates Z: 6 2.604 1.137 0.487 0.730 0.800 0.800 CB 0.700 Z: 24 38.550 2.019 1.036 0.941 1.000 0.652 CB 1.357 24 residues pruned to eliminate duplicates Z: 17 25.917 2.061 0.783 0.897 1.000 0.875 CB 1.263 17 residues pruned to eliminate duplicates Z: 35 33.041 1.947 0.860 0.594 0.971 0.618 CB 1.474 35 residues pruned to eliminate duplicates Z: 8 6.456 1.635 0.449 0.426 0.857 0.571 CB 1.298 8 residues pruned to eliminate duplicates Z: 7 4.007 1.707 0.235 0.520 0.667 0.667 N 1.140 Z: 8 4.778 1.466 0.339 0.400 0.857 0.429 CB 1.192 Z: 28 37.710 1.997 1.104 0.946 0.889 0.407 CB 1.344 28 residues pruned to eliminate duplicates Z: 22 12.086 1.906 0.647 0.335 0.810 0.571 CB 1.242 22 residues pruned to eliminate duplicates Z: 11 6.131 1.756 0.517 0.372 0.800 0.600 CB 1.043 11 residues pruned to eliminate duplicates Z: 12 8.659 1.738 0.508 0.510 0.818 0.273 CA 1.206 12 residues pruned to eliminate duplicates Z: 14 12.954 1.656 0.404 0.868 1.000 0.769 CB 1.129 14 residues pruned to eliminate duplicates Z: 41 36.331 1.983 0.903 0.729 0.950 0.650 CB 1.304 44 residues pruned to eliminate duplicates Z: 25 16.513 1.853 0.676 0.512 0.833 0.667 CB 1.287 25 residues pruned to eliminate duplicates Z: 15 20.855 2.079 0.569 0.889 1.000 0.857 CB 1.230 15 residues pruned to eliminate duplicates Z: 7 6.030 1.725 0.390 0.480 0.833 0.333 CA 1.257 5 residues pruned to eliminate duplicates Z: 7 4.435 1.518 0.589 0.472 0.833 0.500 CB 0.927 7 residues pruned to eliminate duplicates Z: 43 27.196 1.839 0.588 0.669 0.929 0.690 CB 1.324 43 residues pruned to eliminate duplicates Z: 10 6.191 1.477 0.182 0.831 0.889 0.667 CB 0.998 10 residues pruned to eliminate duplicates Z: 15 29.767 2.092 1.178 0.866 0.929 0.714 CA 1.376 15 residues pruned to eliminate duplicates Z: 7 2.690 1.403 0.404 0.284 0.667 0.333 CA 1.066 Z: 10 18.909 1.795 0.896 0.880 1.000 0.556 CB 1.342 10 residues pruned to eliminate duplicates Z: 23 11.343 1.619 0.472 0.448 0.864 0.545 CB 1.240 23 residues pruned to eliminate duplicates Z: 7 2.506 1.514 0.148 0.411 0.667 0.667 CA 0.969 Z: 6 4.533 1.520 0.624 0.454 0.800 0.600 CB 1.076 Z: 7 4.667 1.517 0.407 0.308 0.833 0.667 O 1.325 Z: 12 18.276 1.848 0.797 0.912 1.000 0.727 CB 1.175 12 residues pruned to eliminate duplicates Z: 11 7.374 1.557 0.528 0.399 0.900 0.700 CB 1.210 Z: 13 16.223 1.830 0.861 0.919 1.000 0.750 CB 0.969 13 residues pruned to eliminate duplicates Z: 38 21.322 1.775 0.634 0.562 0.892 0.622 CB 1.275 38 residues pruned to eliminate duplicates Z: 63 37.661 1.970 0.701 0.605 0.919 0.645 CB 1.405 63 residues pruned to eliminate duplicates Z: 27 45.102 2.246 1.174 0.922 0.885 0.423 CB 1.440 27 residues pruned to eliminate duplicates Z: 10 13.454 1.896 0.838 0.561 0.889 0.667 N 1.365 10 residues pruned to eliminate duplicates Z: 28 36.910 1.988 0.899 0.914 0.926 0.778 CA 1.437 28 residues pruned to eliminate duplicates Z: 30 18.886 1.757 0.473 0.577 0.931 0.724 CA 1.351 30 residues pruned to eliminate duplicates Z: 12 15.161 1.819 1.006 0.703 0.909 0.727 CB 1.146 12 residues pruned to eliminate duplicates Z: 6 7.087 1.470 0.885 0.702 1.000 0.400 CA 0.951 6 residues pruned to eliminate duplicates Z: 13 8.197 1.735 0.397 0.387 0.833 0.667 CB 1.321 13 residues pruned to eliminate duplicates Z: 6 3.596 1.385 0.374 0.291 1.000 0.600 CB 1.069 Z: 17 12.805 1.648 0.523 0.757 0.875 0.688 CB 1.159 17 residues pruned to eliminate duplicates Z: 7 5.946 1.605 0.791 0.347 1.000 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 25 25.632 1.890 0.724 0.679 0.917 0.792 CB 1.486 25 residues pruned to eliminate duplicates Z: 49 56.958 2.171 0.964 0.747 0.938 0.625 CB 1.649 49 residues pruned to eliminate duplicates Z: 6 3.035 1.520 0.370 0.867 1.000 0.800 CB 0.477 Z: 28 18.401 1.865 0.937 0.535 0.778 0.296 CB 1.218 28 residues pruned to eliminate duplicates Z: 73 39.498 1.969 0.635 0.609 0.944 0.681 CB 1.381 73 residues pruned to eliminate duplicates Z: 66 29.986 1.969 0.773 0.424 0.831 0.508 CB 1.388 65 residues pruned to eliminate duplicates Z: 15 38.724 2.115 1.251 0.867 1.000 0.643 CB 1.590 15 residues pruned to eliminate duplicates Z: 9 9.564 1.698 0.820 0.544 1.000 0.500 CA 1.048 Z: 25 18.722 1.891 0.753 0.620 0.833 0.542 CA 1.235 28 residues pruned to eliminate duplicates Z: 14 11.582 1.655 0.400 0.837 0.923 0.462 CB 1.124 14 residues pruned to eliminate duplicates Z: 7 2.259 1.224 0.153 0.481 0.833 0.667 CB 0.800 Z: 51 30.086 1.839 0.900 0.703 0.860 0.480 CB 1.177 55 residues pruned to eliminate duplicates Z: 15 20.037 2.053 1.275 0.807 0.857 0.357 CB 1.024 15 residues pruned to eliminate duplicates Z: 7 4.254 1.239 0.474 0.508 0.833 0.833 CB 1.131 Z: 12 16.339 1.822 0.841 0.925 1.000 0.909 CB 1.031 12 residues pruned to eliminate duplicates Z: 7 6.031 1.694 0.348 0.371 1.000 0.667 CB 1.238 4 residues pruned to eliminate duplicates 624 residues left after pruning, divided into chains as follows: A: 60 B: 9 C: 10 D: 88 E: 55 F: 21 G: 101 H: 92 I: 179 J: 9 CC for partial structure against native data = 40.90 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.480, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.546, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.654, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.662, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.673, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.677, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.681, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.683, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.685, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.686, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3353 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 853 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 23.212 2.203 1.077 0.791 1.000 0.400 CB 1.243 B: 30 55.215 2.280 1.107 0.915 0.897 0.276 CB 1.682 C: 29 56.034 2.355 1.177 0.917 0.893 0.429 CB 1.633 29 residues pruned to eliminate duplicates D: 14 42.260 2.323 0.840 0.937 1.000 1.000 CA 1.908 E: 13 25.138 2.089 0.844 0.846 1.000 0.500 CB 1.400 11 residues pruned to eliminate duplicates F: 45 67.706 2.302 0.908 0.842 0.955 0.477 CB 1.814 30 residues pruned to eliminate duplicates G: 14 44.587 2.360 0.990 0.923 1.000 0.923 N 1.850 14 residues pruned to eliminate duplicates H: 29 57.672 2.364 0.866 0.906 1.000 0.607 CB 1.756 29 residues pruned to eliminate duplicates I: 46 71.034 2.319 0.972 0.841 0.978 0.756 CB 1.765 45 residues pruned to eliminate duplicates J: 45 65.637 2.264 1.076 0.835 0.955 0.500 CB 1.652 45 residues pruned to eliminate duplicates K: 29 54.128 2.375 0.880 0.893 0.929 0.714 CA 1.771 29 residues pruned to eliminate duplicates L: 14 48.689 2.366 1.098 0.944 1.000 0.923 CA 1.884 14 residues pruned to eliminate duplicates M: 44 70.687 2.275 1.115 0.819 0.977 0.605 CB 1.740 44 residues pruned to eliminate duplicates N: 15 40.043 2.289 1.032 0.938 1.000 0.929 CB 1.600 O: 15 47.462 2.258 1.248 0.909 1.000 0.857 CB 1.774 15 residues pruned to eliminate duplicates P: 29 60.081 2.352 1.030 0.949 0.964 0.786 CA 1.703 29 residues pruned to eliminate duplicates Q: 28 66.208 2.386 1.064 0.936 1.000 0.889 CA 1.801 27 residues pruned to eliminate duplicates R: 12 19.775 2.082 0.634 0.868 1.000 0.727 CB 1.281 12 residues pruned to eliminate duplicates S: 17 38.838 2.115 1.115 0.916 1.000 0.688 CA 1.533 16 residues pruned to eliminate duplicates T: 11 24.507 2.242 0.822 0.849 0.900 0.300 CB 1.562 U: 46 70.104 2.312 0.960 0.843 0.956 0.756 CB 1.797 47 residues pruned to eliminate duplicates V: 28 64.961 2.403 0.993 0.933 1.000 0.926 CB 1.822 28 residues pruned to eliminate duplicates W: 16 36.569 2.152 1.061 0.888 1.000 0.867 CA 1.534 16 residues pruned to eliminate duplicates X: 15 37.521 2.285 0.990 0.931 1.000 0.786 CA 1.542 Y: 15 26.978 2.052 0.766 0.867 1.000 0.786 CA 1.455 Z: 16 25.928 2.196 1.071 0.798 0.867 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 47 70.785 2.268 1.053 0.856 0.935 0.565 CA 1.767 47 residues pruned to eliminate duplicates Z: 11 20.116 2.024 0.818 0.826 0.800 0.600 CB 1.630 11 residues pruned to eliminate duplicates Z: 19 36.299 2.058 0.846 0.792 1.000 0.611 CB 1.744 19 residues pruned to eliminate duplicates Z: 14 36.004 2.239 0.811 0.857 1.000 0.846 CA 1.815 14 residues pruned to eliminate duplicates Z: 15 33.604 2.136 0.895 0.944 1.000 0.857 CA 1.537 Z: 16 36.458 2.076 0.984 0.945 1.000 0.667 CA 1.582 15 residues pruned to eliminate duplicates Z: 26 65.167 2.345 1.258 0.885 1.000 0.720 CB 1.776 26 residues pruned to eliminate duplicates Z: 37 27.324 2.227 0.524 0.436 0.861 0.611 CB 1.666 31 residues pruned to eliminate duplicates Z: 69 46.696 2.229 0.777 0.488 0.897 0.559 CB 1.614 31 residues pruned to eliminate duplicates Z: 14 37.690 2.164 1.105 0.903 1.000 0.846 CA 1.636 15 residues pruned to eliminate duplicates Z: 85 48.518 2.133 0.783 0.550 0.952 0.500 CB 1.391 13 residues pruned to eliminate duplicates Z: 15 42.987 2.304 1.088 0.935 1.000 0.857 CB 1.663 15 residues pruned to eliminate duplicates Z: 26 39.355 2.049 0.790 0.951 1.000 0.760 CA 1.479 Z: 10 24.363 2.272 0.751 0.890 0.889 0.667 CB 1.652 10 residues pruned to eliminate duplicates Z: 9 20.040 2.354 0.426 0.812 1.000 0.750 CA 1.608 Z: 16 33.428 2.086 0.904 0.923 1.000 0.533 CA 1.527 16 residues pruned to eliminate duplicates Z: 16 29.930 2.088 0.875 0.917 1.000 0.867 CA 1.393 16 residues pruned to eliminate duplicates Z: 15 23.535 2.262 1.002 0.863 0.857 0.714 CB 1.189 15 residues pruned to eliminate duplicates Z: 22 38.671 2.148 0.831 0.957 0.952 0.714 CB 1.546 25 residues pruned to eliminate duplicates Z: 11 29.251 2.166 0.749 0.901 1.000 0.800 N 1.743 11 residues pruned to eliminate duplicates Z: 17 35.718 2.081 1.160 0.930 0.938 0.812 CA 1.482 17 residues pruned to eliminate duplicates Z: 19 34.920 2.085 0.912 0.770 0.944 0.667 CB 1.721 19 residues pruned to eliminate duplicates Z: 45 36.176 1.884 0.749 0.831 0.909 0.705 CB 1.368 23 residues pruned to eliminate duplicates Z: 11 26.397 2.136 0.920 0.870 0.900 0.800 CA 1.650 11 residues pruned to eliminate duplicates Z: 45 71.816 2.351 0.969 0.837 0.932 0.727 CA 1.877 45 residues pruned to eliminate duplicates Z: 18 30.657 2.161 0.648 0.779 0.941 0.529 CB 1.734 18 residues pruned to eliminate duplicates Z: 47 68.641 2.286 0.971 0.826 0.957 0.630 CB 1.772 47 residues pruned to eliminate duplicates Z: 11 14.076 1.736 0.468 0.851 0.900 0.800 CA 1.437 Z: 25 38.098 2.064 0.784 0.940 0.958 0.708 CA 1.530 25 residues pruned to eliminate duplicates Z: 7 18.261 2.367 0.536 0.812 1.000 0.833 CA 1.564 7 residues pruned to eliminate duplicates Z: 12 24.847 2.012 0.705 0.906 1.000 0.909 CA 1.553 12 residues pruned to eliminate duplicates Z: 15 29.009 2.289 0.922 0.843 1.000 0.714 CB 1.312 15 residues pruned to eliminate duplicates Z: 13 41.550 2.336 0.964 0.926 1.000 1.000 CA 1.834 13 residues pruned to eliminate duplicates Z: 15 33.660 2.266 1.484 0.863 1.000 0.429 CB 1.173 15 residues pruned to eliminate duplicates Z: 8 10.814 1.897 0.145 0.806 0.857 0.571 CA 1.681 Z: 7 16.717 2.248 0.490 0.869 1.000 0.833 CA 1.488 7 residues pruned to eliminate duplicates Z: 14 56.928 2.350 1.452 0.935 1.000 0.923 N 1.910 14 residues pruned to eliminate duplicates Z: 11 18.154 1.901 0.574 0.781 1.000 0.800 CA 1.498 8 residues pruned to eliminate duplicates Z: 12 19.682 2.109 0.672 0.806 0.909 0.727 CB 1.417 12 residues pruned to eliminate duplicates Z: 47 73.205 2.292 0.991 0.838 1.000 0.630 CB 1.767 47 residues pruned to eliminate duplicates Z: 44 39.007 1.903 0.696 0.847 0.953 0.767 CA 1.435 44 residues pruned to eliminate duplicates Z: 73 41.665 2.052 0.613 0.606 0.917 0.667 CB 1.464 25 residues pruned to eliminate duplicates Z: 13 12.246 1.676 0.670 0.784 0.917 0.667 CB 1.073 13 residues pruned to eliminate duplicates Z: 8 11.834 2.118 0.798 0.771 0.571 0.429 CA 1.617 Z: 14 47.299 2.357 1.037 0.941 1.000 1.000 CA 1.895 14 residues pruned to eliminate duplicates Z: 12 29.074 2.206 0.879 0.786 1.000 0.545 CB 1.645 12 residues pruned to eliminate duplicates Z: 13 19.857 1.870 0.666 0.871 1.000 1.000 CA 1.342 Z: 15 24.555 2.056 0.642 0.945 1.000 0.857 CB 1.346 15 residues pruned to eliminate duplicates Z: 15 33.777 2.068 1.138 0.921 0.929 0.786 CB 1.548 15 residues pruned to eliminate duplicates Z: 15 27.416 2.029 0.942 0.742 0.857 0.429 CB 1.747 16 residues pruned to eliminate duplicates Z: 11 15.788 1.934 0.719 0.720 0.800 0.400 CA 1.539 8 residues pruned to eliminate duplicates Z: 32 15.617 1.904 0.802 0.466 0.774 0.419 CB 1.093 32 residues pruned to eliminate duplicates Z: 12 25.867 2.102 0.719 0.869 1.000 0.909 CA 1.577 12 residues pruned to eliminate duplicates Z: 12 15.833 1.869 0.452 0.840 1.000 1.000 CA 1.313 12 residues pruned to eliminate duplicates Z: 28 59.743 2.421 0.939 0.892 0.963 0.815 CB 1.827 28 residues pruned to eliminate duplicates Z: 29 60.765 2.348 0.958 0.913 1.000 0.714 CA 1.768 29 residues pruned to eliminate duplicates Z: 17 21.523 1.929 0.721 0.879 1.000 0.625 CB 1.175 17 residues pruned to eliminate duplicates Z: 25 38.846 2.055 0.931 0.909 0.917 0.500 CB 1.546 25 residues pruned to eliminate duplicates Z: 9 12.182 2.089 0.170 0.745 0.875 0.750 CB 1.617 9 residues pruned to eliminate duplicates Z: 18 34.219 2.160 0.899 0.798 0.941 0.588 CB 1.657 18 residues pruned to eliminate duplicates Z: 12 23.779 2.085 0.747 0.713 1.000 0.455 CA 1.623 12 residues pruned to eliminate duplicates Z: 16 39.530 2.173 1.135 0.933 1.000 0.733 CB 1.535 16 residues pruned to eliminate duplicates Z: 16 33.109 2.240 1.179 0.914 0.933 0.667 CB 1.327 Z: 9 11.320 1.934 0.413 0.868 0.750 0.625 CB 1.427 9 residues pruned to eliminate duplicates Z: 17 33.298 2.175 1.050 0.929 1.000 0.688 CB 1.306 16 residues pruned to eliminate duplicates Z: 11 20.120 2.013 0.614 0.912 1.000 1.000 CB 1.387 Z: 6 11.785 1.973 0.568 0.740 1.000 0.800 CA 1.375 Z: 14 15.758 1.814 0.470 0.759 1.000 0.692 CA 1.303 14 residues pruned to eliminate duplicates Z: 21 34.406 2.095 0.805 0.913 1.000 0.500 CB 1.440 21 residues pruned to eliminate duplicates Z: 13 33.960 2.330 1.031 0.941 1.000 1.000 CB 1.438 13 residues pruned to eliminate duplicates Z: 16 37.873 2.199 1.245 0.919 0.933 0.733 CB 1.496 16 residues pruned to eliminate duplicates Z: 43 75.767 2.335 1.162 0.832 0.976 0.571 CB 1.781 42 residues pruned to eliminate duplicates Z: 15 32.766 2.261 1.118 0.845 0.929 0.429 CB 1.464 15 residues pruned to eliminate duplicates Z: 6 7.847 1.538 0.813 0.847 1.000 0.800 CB 0.935 6 residues pruned to eliminate duplicates Z: 28 23.632 2.164 0.551 0.476 0.889 0.593 CB 1.562 28 residues pruned to eliminate duplicates Z: 7 8.550 1.512 0.628 0.853 1.000 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 16 35.585 2.115 0.810 0.877 1.000 0.867 CB 1.743 16 residues pruned to eliminate duplicates Z: 9 11.019 1.826 1.137 0.572 0.875 0.500 CB 1.064 9 residues pruned to eliminate duplicates Z: 9 12.509 1.919 0.471 0.787 0.875 0.625 CA 1.391 9 residues pruned to eliminate duplicates Z: 16 31.469 2.077 1.047 0.932 0.933 0.867 CA 1.430 16 residues pruned to eliminate duplicates Z: 13 19.636 1.881 0.756 0.897 1.000 0.917 CB 1.228 11 residues pruned to eliminate duplicates Z: 11 11.595 1.922 0.123 0.735 0.900 0.500 N 1.528 Z: 12 17.038 1.815 0.590 0.865 1.000 0.727 CB 1.304 13 residues pruned to eliminate duplicates Z: 13 40.520 2.155 1.238 0.937 1.000 0.917 CA 1.687 13 residues pruned to eliminate duplicates Z: 11 18.801 2.103 0.527 0.881 0.900 0.800 CA 1.489 11 residues pruned to eliminate duplicates Z: 22 35.584 2.100 0.804 0.907 0.952 0.905 CA 1.530 22 residues pruned to eliminate duplicates Z: 7 5.262 1.536 0.240 0.858 1.000 0.833 CB 0.830 7 residues pruned to eliminate duplicates Z: 16 29.586 2.095 0.694 0.925 1.000 0.867 CA 1.511 16 residues pruned to eliminate duplicates Z: 13 33.262 2.356 0.958 0.896 0.833 0.500 CB 1.789 13 residues pruned to eliminate duplicates Z: 10 14.098 1.923 0.267 0.786 1.000 0.556 CA 1.500 10 residues pruned to eliminate duplicates Z: 9 17.990 2.104 0.335 0.857 1.000 0.750 N 1.668 11 residues pruned to eliminate duplicates Z: 23 16.113 1.861 0.417 0.674 0.909 0.591 CB 1.220 Z: 10 14.104 1.848 0.176 0.914 1.000 0.778 CB 1.530 11 residues pruned to eliminate duplicates Z: 10 17.342 1.842 0.379 0.902 1.000 1.000 CB 1.624 10 residues pruned to eliminate duplicates Z: 24 39.798 2.114 0.749 0.940 1.000 0.913 CA 1.558 24 residues pruned to eliminate duplicates Z: 9 17.061 2.296 0.224 0.861 1.000 1.000 CA 1.578 8 residues pruned to eliminate duplicates Z: 19 28.202 1.892 0.637 0.933 1.000 0.722 CB 1.498 19 residues pruned to eliminate duplicates Z: 12 20.638 1.917 0.612 0.930 1.000 1.000 CB 1.408 11 residues pruned to eliminate duplicates Z: 85 44.296 2.122 0.731 0.539 0.917 0.512 CB 1.382 85 residues pruned to eliminate duplicates Z: 7 13.938 1.977 0.506 0.863 1.000 1.000 CB 1.402 7 residues pruned to eliminate duplicates Z: 15 38.472 2.242 1.086 0.939 1.000 0.929 CB 1.528 15 residues pruned to eliminate duplicates Z: 17 34.674 2.152 0.982 0.916 1.000 0.875 CB 1.435 17 residues pruned to eliminate duplicates Z: 78 51.466 2.108 0.697 0.741 0.922 0.688 CB 1.433 78 residues pruned to eliminate duplicates Z: 17 31.776 2.162 0.779 0.785 0.938 0.812 CA 1.716 17 residues pruned to eliminate duplicates Z: 41 34.447 2.038 0.798 0.663 0.925 0.750 CB 1.381 41 residues pruned to eliminate duplicates Z: 16 26.830 1.992 0.892 0.903 1.000 0.867 CA 1.309 16 residues pruned to eliminate duplicates Z: 17 25.194 1.972 0.849 0.912 1.000 0.750 CB 1.223 17 residues pruned to eliminate duplicates Z: 70 45.814 2.213 0.743 0.489 0.884 0.580 CB 1.635 70 residues pruned to eliminate duplicates Z: 27 36.910 2.081 0.741 0.923 1.000 0.923 CA 1.404 27 residues pruned to eliminate duplicates Z: 6 3.557 1.661 0.136 0.488 0.600 0.600 CA 1.423 Z: 17 27.046 1.965 0.830 0.904 1.000 0.812 CA 1.339 17 residues pruned to eliminate duplicates Z: 12 19.551 1.989 0.780 0.810 1.000 0.909 CB 1.271 12 residues pruned to eliminate duplicates Z: 17 16.398 2.018 0.497 0.523 0.812 0.625 CB 1.633 9 residues pruned to eliminate duplicates Z: 58 46.295 2.107 0.853 0.693 0.912 0.667 CB 1.442 58 residues pruned to eliminate duplicates Z: 18 34.177 2.086 0.758 0.803 1.000 0.706 CA 1.735 18 residues pruned to eliminate duplicates Z: 18 30.427 1.959 0.726 0.936 1.000 0.765 CB 1.519 18 residues pruned to eliminate duplicates Z: 19 29.761 2.037 0.943 0.722 0.889 0.722 CA 1.630 19 residues pruned to eliminate duplicates Z: 14 16.672 1.759 0.498 0.885 1.000 0.462 CB 1.268 Z: 10 20.470 2.141 0.821 0.896 1.000 0.889 CB 1.253 10 residues pruned to eliminate duplicates Z: 15 30.647 2.052 0.971 0.894 0.929 0.929 CA 1.564 15 residues pruned to eliminate duplicates Z: 10 20.662 2.065 0.549 0.877 1.000 0.889 CB 1.563 10 residues pruned to eliminate duplicates Z: 8 15.526 2.346 0.290 0.820 1.000 1.000 CA 1.468 8 residues pruned to eliminate duplicates Z: 16 31.792 2.054 0.886 0.923 1.000 0.400 CA 1.490 16 residues pruned to eliminate duplicates Z: 11 22.820 2.232 0.750 0.929 0.900 0.600 CB 1.437 11 residues pruned to eliminate duplicates Z: 18 21.991 1.856 0.548 0.909 0.941 0.765 CB 1.400 Z: 14 28.180 2.238 0.501 0.946 1.000 0.923 CA 1.609 14 residues pruned to eliminate duplicates Z: 16 30.733 2.038 1.211 0.887 0.933 0.933 CA 1.360 16 residues pruned to eliminate duplicates Z: 29 57.593 2.348 0.997 0.893 0.964 0.893 CB 1.729 29 residues pruned to eliminate duplicates Z: 78 46.236 2.113 0.771 0.566 0.948 0.610 CB 1.394 78 residues pruned to eliminate duplicates Z: 17 30.515 2.108 0.978 0.924 1.000 0.750 CB 1.285 17 residues pruned to eliminate duplicates Z: 29 66.470 2.369 1.222 0.929 0.964 0.393 CB 1.733 29 residues pruned to eliminate duplicates Z: 13 41.693 2.164 1.298 0.937 1.000 0.667 CA 1.685 13 residues pruned to eliminate duplicates Z: 16 25.396 2.065 0.614 0.910 0.933 0.933 CA 1.495 16 residues pruned to eliminate duplicates Z: 15 16.373 1.988 0.711 0.531 1.000 0.643 CB 1.247 15 residues pruned to eliminate duplicates Z: 15 42.514 2.289 1.203 0.925 1.000 0.500 CB 1.581 15 residues pruned to eliminate duplicates Z: 51 46.330 2.065 0.785 0.712 0.920 0.500 CB 1.594 46 residues pruned to eliminate duplicates Z: 12 17.557 1.929 0.472 0.851 1.000 1.000 CA 1.380 12 residues pruned to eliminate duplicates Z: 7 5.329 1.998 -0.028 0.765 0.667 0.333 CB 1.329 7 residues pruned to eliminate duplicates Z: 19 24.504 1.796 0.624 0.934 1.000 0.722 CB 1.381 19 residues pruned to eliminate duplicates Z: 14 15.303 1.746 0.565 0.870 0.923 0.615 CB 1.229 14 residues pruned to eliminate duplicates Z: 8 14.154 2.197 0.035 0.885 1.000 0.857 CA 1.699 8 residues pruned to eliminate duplicates Z: 69 41.329 2.218 0.610 0.474 0.882 0.500 CB 1.633 69 residues pruned to eliminate duplicates Z: 28 56.675 2.424 0.920 0.915 0.926 0.815 CB 1.789 28 residues pruned to eliminate duplicates Z: 29 20.455 2.001 0.325 0.609 0.893 0.571 CB 1.473 29 residues pruned to eliminate duplicates Z: 9 20.580 2.100 0.481 0.876 1.000 0.750 N 1.700 10 residues pruned to eliminate duplicates Z: 10 22.198 2.146 0.533 0.803 1.000 0.667 CA 1.727 16 residues pruned to eliminate duplicates Z: 9 10.903 1.886 -0.062 0.889 1.000 1.000 CB 1.569 9 residues pruned to eliminate duplicates Z: 44 72.365 2.260 1.076 0.859 0.977 0.605 CA 1.772 44 residues pruned to eliminate duplicates Z: 10 15.099 1.823 0.958 0.892 0.889 0.667 CB 1.139 Z: 18 34.680 2.158 0.775 0.780 1.000 0.765 CB 1.714 18 residues pruned to eliminate duplicates Z: 16 26.824 2.049 0.882 0.919 1.000 0.933 CB 1.266 16 residues pruned to eliminate duplicates Z: 13 16.966 1.826 0.432 0.785 1.000 0.667 CA 1.459 13 residues pruned to eliminate duplicates Z: 46 72.042 2.291 1.050 0.866 0.956 0.667 CB 1.752 46 residues pruned to eliminate duplicates Z: 14 53.272 2.391 1.184 0.939 1.000 0.923 CA 1.967 14 residues pruned to eliminate duplicates Z: 40 26.543 2.124 0.624 0.437 0.897 0.641 CB 1.466 40 residues pruned to eliminate duplicates Z: 14 11.728 1.976 0.798 0.466 0.846 0.615 CB 1.120 3 residues pruned to eliminate duplicates Z: 14 36.726 2.014 1.404 0.933 1.000 0.923 CB 1.468 14 residues pruned to eliminate duplicates Z: 23 15.516 1.787 0.534 0.612 0.864 0.364 CB 1.257 Z: 30 34.147 2.076 0.708 0.688 1.000 0.793 CB 1.505 22 residues pruned to eliminate duplicates Z: 18 23.493 1.898 0.543 0.907 0.941 0.824 CB 1.469 18 residues pruned to eliminate duplicates Z: 18 29.313 1.940 0.694 0.938 1.000 0.824 CB 1.505 18 residues pruned to eliminate duplicates Z: 39 22.990 2.184 0.611 0.387 0.789 0.500 CB 1.514 39 residues pruned to eliminate duplicates Z: 39 36.820 2.132 0.724 0.674 0.921 0.658 CB 1.503 35 residues pruned to eliminate duplicates Z: 37 41.709 2.092 0.829 0.651 0.972 0.833 CB 1.623 37 residues pruned to eliminate duplicates Z: 16 34.063 2.013 1.169 0.914 1.000 0.867 CA 1.425 16 residues pruned to eliminate duplicates Z: 78 46.480 2.131 0.734 0.597 0.909 0.532 CB 1.437 69 residues pruned to eliminate duplicates Z: 23 40.226 2.127 0.896 0.933 0.955 0.773 CB 1.555 23 residues pruned to eliminate duplicates Z: 52 42.860 2.310 0.749 0.513 0.902 0.510 CB 1.625 52 residues pruned to eliminate duplicates Z: 11 18.360 1.784 0.820 0.885 1.000 0.700 CB 1.292 10 residues pruned to eliminate duplicates Z: 16 20.200 1.965 0.518 0.897 0.933 0.867 CB 1.341 16 residues pruned to eliminate duplicates Z: 7 14.623 2.186 0.401 0.744 1.000 1.000 CB 1.567 7 residues pruned to eliminate duplicates Z: 20 19.650 1.785 0.419 0.798 0.947 0.895 CA 1.448 20 residues pruned to eliminate duplicates Z: 16 23.908 2.018 0.682 0.885 1.000 0.800 CB 1.313 16 residues pruned to eliminate duplicates Z: 35 27.915 1.988 0.633 0.595 0.912 0.559 CB 1.478 37 residues pruned to eliminate duplicates Z: 20 23.251 1.775 0.553 0.917 0.947 0.789 CB 1.441 20 residues pruned to eliminate duplicates Z: 11 19.299 2.047 0.622 0.781 1.000 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 19 28.151 1.818 0.864 0.890 0.944 0.333 CB 1.492 19 residues pruned to eliminate duplicates Z: 37 23.535 1.956 0.606 0.572 0.889 0.583 CB 1.311 37 residues pruned to eliminate duplicates Z: 17 27.914 2.110 0.692 0.893 1.000 0.812 CA 1.403 17 residues pruned to eliminate duplicates Z: 33 34.942 2.057 0.769 0.607 0.969 0.781 CA 1.583 16 residues pruned to eliminate duplicates Z: 23 18.342 1.789 0.427 0.682 0.955 0.727 CB 1.358 23 residues pruned to eliminate duplicates Z: 19 24.115 1.860 0.587 0.885 0.944 0.722 CB 1.472 19 residues pruned to eliminate duplicates Z: 20 24.294 1.790 0.559 0.881 1.000 0.632 CA 1.447 20 residues pruned to eliminate duplicates Z: 10 13.672 1.902 0.446 0.870 1.000 0.778 CA 1.209 10 residues pruned to eliminate duplicates Z: 15 33.016 2.311 1.274 0.870 0.929 0.714 CB 1.320 15 residues pruned to eliminate duplicates Z: 12 18.354 1.995 0.668 0.853 1.000 0.909 CB 1.229 12 residues pruned to eliminate duplicates Z: 9 21.901 2.027 1.267 0.832 0.750 0.250 CA 1.686 9 residues pruned to eliminate duplicates Z: 16 23.557 2.072 0.482 0.927 1.000 1.000 CA 1.388 16 residues pruned to eliminate duplicates Z: 11 14.327 1.982 0.436 0.775 1.000 0.600 CB 1.249 11 residues pruned to eliminate duplicates Z: 9 15.301 2.154 0.833 0.703 0.750 0.125 CA 1.518 9 residues pruned to eliminate duplicates Z: 20 27.117 1.813 0.692 0.907 1.000 0.737 CB 1.442 19 residues pruned to eliminate duplicates Z: 16 13.275 1.608 0.569 0.830 0.933 0.667 CB 1.094 16 residues pruned to eliminate duplicates Z: 12 20.141 2.021 0.845 0.834 1.000 0.636 CB 1.220 12 residues pruned to eliminate duplicates Z: 16 35.349 2.177 1.256 0.913 1.000 0.533 CB 1.316 16 residues pruned to eliminate duplicates Z: 28 26.953 2.014 0.868 0.736 0.889 0.741 CB 1.254 28 residues pruned to eliminate duplicates Z: 24 40.119 2.115 0.778 0.936 0.957 0.826 CA 1.619 24 residues pruned to eliminate duplicates Z: 12 16.169 2.126 0.490 0.879 0.909 0.545 CB 1.227 12 residues pruned to eliminate duplicates Z: 19 24.458 1.869 0.507 0.872 1.000 0.889 CB 1.492 19 residues pruned to eliminate duplicates Z: 39 37.279 2.128 0.761 0.659 0.921 0.579 CB 1.512 39 residues pruned to eliminate duplicates Z: 63 45.121 2.253 0.707 0.545 0.887 0.661 CB 1.607 63 residues pruned to eliminate duplicates Z: 20 26.376 1.848 0.610 0.851 1.000 0.789 CA 1.506 20 residues pruned to eliminate duplicates Z: 12 10.282 1.839 0.681 0.647 0.909 0.545 CB 0.962 Z: 15 28.675 2.050 1.038 0.944 1.000 0.857 CB 1.271 15 residues pruned to eliminate duplicates Z: 53 35.260 2.111 0.864 0.493 0.942 0.577 CB 1.328 53 residues pruned to eliminate duplicates Z: 8 6.878 1.593 0.382 0.863 1.000 0.714 CB 0.866 8 residues pruned to eliminate duplicates Z: 54 45.803 2.062 0.778 0.650 0.943 0.717 CB 1.582 55 residues pruned to eliminate duplicates Z: 15 35.464 2.062 1.080 0.901 1.000 0.929 CA 1.577 15 residues pruned to eliminate duplicates Z: 17 8.316 1.719 0.742 0.379 0.812 0.438 CB 0.972 17 residues pruned to eliminate duplicates Z: 11 12.591 1.573 0.466 0.905 0.900 0.300 CB 1.366 11 residues pruned to eliminate duplicates Z: 17 25.517 2.115 0.565 0.897 1.000 0.875 CA 1.379 17 residues pruned to eliminate duplicates Z: 9 16.876 2.308 0.495 0.780 0.875 0.750 CA 1.544 9 residues pruned to eliminate duplicates Z: 63 81.945 2.324 1.014 0.797 0.968 0.694 CA 1.771 66 residues pruned to eliminate duplicates Z: 19 30.617 2.033 0.865 0.783 0.944 0.556 CB 1.571 19 residues pruned to eliminate duplicates Z: 12 17.535 1.904 0.852 0.817 1.000 0.909 CB 1.139 12 residues pruned to eliminate duplicates Z: 8 18.285 2.097 0.795 0.839 0.857 0.429 CB 1.600 8 residues pruned to eliminate duplicates Z: 39 24.582 2.000 0.756 0.528 0.842 0.474 CB 1.312 40 residues pruned to eliminate duplicates Z: 23 32.054 2.111 0.589 0.943 0.909 0.636 CA 1.553 23 residues pruned to eliminate duplicates Z: 42 37.211 2.104 0.877 0.652 0.902 0.561 CB 1.415 41 residues pruned to eliminate duplicates Z: 23 18.742 2.050 0.279 0.564 0.955 0.682 CB 1.500 26 residues pruned to eliminate duplicates Z: 7 7.985 1.981 0.519 0.679 0.833 0.667 N 1.103 Z: 12 13.617 1.656 0.749 0.766 0.909 0.727 N 1.232 12 residues pruned to eliminate duplicates Z: 13 19.916 1.875 0.774 0.885 1.000 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 11 20.199 1.940 0.603 0.897 1.000 0.900 CB 1.470 12 residues pruned to eliminate duplicates Z: 14 47.879 2.327 1.083 0.932 1.000 0.923 CA 1.914 14 residues pruned to eliminate duplicates Z: 19 26.382 1.894 0.461 0.942 1.000 0.889 CB 1.558 18 residues pruned to eliminate duplicates Z: 19 22.229 1.790 0.508 0.912 1.000 0.833 CB 1.375 19 residues pruned to eliminate duplicates Z: 37 28.793 2.178 0.815 0.419 0.944 0.556 CB 1.399 37 residues pruned to eliminate duplicates Z: 36 25.123 1.983 0.689 0.581 0.886 0.486 CB 1.324 36 residues pruned to eliminate duplicates Z: 17 31.058 2.141 0.927 0.889 1.000 0.938 CA 1.355 17 residues pruned to eliminate duplicates Z: 10 11.797 1.737 0.622 0.817 0.889 0.333 CA 1.192 8 residues pruned to eliminate duplicates Z: 10 11.168 1.746 0.647 0.870 0.889 0.667 CB 1.063 10 residues pruned to eliminate duplicates Z: 13 14.701 1.575 0.541 0.902 0.917 0.917 O 1.360 13 residues pruned to eliminate duplicates Z: 10 14.730 2.063 0.282 0.750 0.889 0.667 N 1.671 10 residues pruned to eliminate duplicates Z: 15 17.312 1.890 0.856 0.857 0.857 0.500 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 31.765 2.212 1.168 0.900 0.933 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 15 36.826 2.214 1.079 0.813 0.929 0.857 CB 1.754 15 residues pruned to eliminate duplicates Z: 39 41.584 2.118 0.789 0.719 0.974 0.684 CB 1.500 39 residues pruned to eliminate duplicates Z: 41 27.442 2.159 0.675 0.391 0.850 0.575 CB 1.584 41 residues pruned to eliminate duplicates Z: 7 5.997 1.792 0.918 0.667 0.667 0.667 CA 0.916 7 residues pruned to eliminate duplicates Z: 20 12.681 1.769 0.551 0.425 0.895 0.421 CB 1.282 20 residues pruned to eliminate duplicates Z: 7 8.618 1.825 0.792 0.411 0.833 0.667 CB 1.416 7 residues pruned to eliminate duplicates Z: 45 26.328 1.950 0.650 0.551 0.886 0.636 CB 1.324 45 residues pruned to eliminate duplicates Z: 40 33.437 2.069 0.775 0.688 0.923 0.538 CB 1.330 40 residues pruned to eliminate duplicates Z: 9 6.523 1.778 0.321 0.601 0.875 0.625 CB 1.020 9 residues pruned to eliminate duplicates Z: 89 57.890 2.080 0.831 0.718 0.932 0.716 CB 1.427 89 residues pruned to eliminate duplicates Z: 28 30.234 1.976 0.767 0.919 0.852 0.259 CB 1.379 28 residues pruned to eliminate duplicates Z: 13 18.655 1.902 0.538 0.933 1.000 1.000 CB 1.285 13 residues pruned to eliminate duplicates Z: 87 51.307 2.113 0.816 0.586 0.942 0.628 CB 1.410 87 residues pruned to eliminate duplicates Z: 25 12.358 1.854 0.659 0.385 0.750 0.417 CB 1.235 25 residues pruned to eliminate duplicates Z: 39 37.635 2.104 0.788 0.691 0.921 0.737 CB 1.480 39 residues pruned to eliminate duplicates Z: 28 36.912 2.049 0.735 0.948 1.000 0.667 CA 1.380 28 residues pruned to eliminate duplicates Z: 20 21.197 1.697 0.616 0.922 1.000 0.789 CB 1.247 20 residues pruned to eliminate duplicates Z: 29 23.162 2.110 0.772 0.497 0.821 0.714 CB 1.430 29 residues pruned to eliminate duplicates Z: 15 8.451 2.016 0.229 0.299 0.857 0.429 CB 1.332 15 residues pruned to eliminate duplicates Z: 20 17.823 1.732 0.259 0.895 0.947 0.895 CA 1.420 20 residues pruned to eliminate duplicates Z: 10 11.152 1.733 0.749 0.464 1.000 0.556 CA 1.272 10 residues pruned to eliminate duplicates Z: 11 16.902 1.881 0.510 0.867 1.000 0.900 CA 1.377 11 residues pruned to eliminate duplicates Z: 56 33.347 2.114 0.599 0.500 0.909 0.636 CB 1.463 38 residues pruned to eliminate duplicates Z: 12 14.212 1.870 0.550 0.651 0.909 0.727 CA 1.413 12 residues pruned to eliminate duplicates Z: 7 20.443 2.329 0.656 0.787 1.000 0.833 CA 1.681 7 residues pruned to eliminate duplicates Z: 11 16.135 1.753 0.891 0.871 0.900 0.700 CB 1.248 11 residues pruned to eliminate duplicates Z: 9 8.881 1.855 0.232 0.806 0.875 0.625 CB 1.203 9 residues pruned to eliminate duplicates Z: 12 6.532 1.719 0.256 0.478 0.909 0.636 CB 1.027 12 residues pruned to eliminate duplicates Z: 27 28.446 2.034 0.475 0.900 0.962 0.769 CA 1.381 27 residues pruned to eliminate duplicates Z: 10 7.945 1.763 0.899 0.601 0.778 0.556 CB 0.923 Z: 20 23.276 1.766 0.514 0.926 1.000 0.842 CB 1.400 20 residues pruned to eliminate duplicates Z: 13 13.721 1.860 0.710 0.782 0.750 0.417 CA 1.295 13 residues pruned to eliminate duplicates Z: 7 7.564 1.938 0.244 0.752 0.833 0.500 CB 1.228 7 residues pruned to eliminate duplicates Z: 16 29.737 2.064 0.908 0.908 1.000 0.800 CA 1.384 16 residues pruned to eliminate duplicates Z: 14 26.450 2.109 0.911 0.868 0.923 0.923 CA 1.441 14 residues pruned to eliminate duplicates Z: 11 14.451 1.880 0.700 0.749 0.900 0.400 CA 1.272 11 residues pruned to eliminate duplicates Z: 12 26.614 1.943 0.934 0.934 1.000 1.000 CB 1.489 12 residues pruned to eliminate duplicates Z: 15 22.723 1.946 0.817 0.913 0.857 0.500 CA 1.419 15 residues pruned to eliminate duplicates Z: 18 14.914 1.595 0.575 0.767 0.941 0.471 CB 1.208 18 residues pruned to eliminate duplicates Z: 14 10.582 1.653 0.583 0.428 0.923 0.692 CB 1.310 14 residues pruned to eliminate duplicates Z: 16 33.192 2.053 1.027 0.932 1.000 0.800 CA 1.438 16 residues pruned to eliminate duplicates Z: 18 19.979 1.797 0.559 0.911 1.000 0.765 CB 1.226 18 residues pruned to eliminate duplicates Z: 27 34.114 2.032 0.773 0.906 0.962 0.769 CA 1.374 27 residues pruned to eliminate duplicates Z: 13 7.396 1.937 0.411 0.389 0.833 0.500 CB 1.054 13 residues pruned to eliminate duplicates Z: 29 38.165 2.099 0.946 0.689 0.964 0.714 CB 1.540 29 residues pruned to eliminate duplicates Z: 11 10.599 1.519 0.264 0.892 1.000 0.500 CA 1.254 11 residues pruned to eliminate duplicates Z: 24 38.409 2.096 0.839 0.953 1.000 0.783 CA 1.431 24 residues pruned to eliminate duplicates Z: 14 14.834 1.783 0.396 0.773 0.923 0.692 CA 1.406 14 residues pruned to eliminate duplicates Z: 14 17.068 1.755 0.725 0.826 1.000 0.385 CB 1.179 14 residues pruned to eliminate duplicates Z: 22 18.533 1.971 0.646 0.617 0.952 0.476 CB 1.172 22 residues pruned to eliminate duplicates Z: 13 10.943 1.781 0.538 0.790 0.917 0.833 CB 0.976 13 residues pruned to eliminate duplicates Z: 12 21.573 2.127 0.522 0.873 1.000 0.636 CB 1.463 12 residues pruned to eliminate duplicates Z: 28 40.422 2.061 0.792 0.916 1.000 0.815 CA 1.487 28 residues pruned to eliminate duplicates Z: 49 34.798 2.054 0.722 0.619 0.875 0.562 CB 1.449 49 residues pruned to eliminate duplicates Z: 12 16.096 1.682 0.368 0.932 1.000 0.818 N 1.472 13 residues pruned to eliminate duplicates Z: 10 19.531 1.864 0.703 0.906 1.000 0.778 CB 1.458 10 residues pruned to eliminate duplicates Z: 13 20.877 1.831 0.844 0.861 1.000 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 17 15.083 1.941 0.743 0.527 0.875 0.562 CB 1.241 17 residues pruned to eliminate duplicates Z: 25 35.518 2.004 0.957 0.703 0.958 0.500 CA 1.604 25 residues pruned to eliminate duplicates Z: 15 36.840 2.029 1.231 0.908 1.000 0.714 CA 1.545 15 residues pruned to eliminate duplicates Z: 20 23.385 1.721 0.572 0.898 1.000 0.789 CB 1.419 20 residues pruned to eliminate duplicates Z: 14 14.869 1.748 0.545 0.897 0.923 0.769 CB 1.184 14 residues pruned to eliminate duplicates Z: 20 23.895 1.722 0.630 0.908 1.000 0.842 CA 1.387 20 residues pruned to eliminate duplicates Z: 19 15.782 1.786 0.690 0.710 0.944 0.667 CB 1.079 14 residues pruned to eliminate duplicates Z: 10 11.576 1.812 0.865 0.768 0.778 0.444 CB 1.157 10 residues pruned to eliminate duplicates Z: 10 15.072 1.708 0.369 0.934 1.000 0.889 O 1.498 10 residues pruned to eliminate duplicates Z: 11 19.683 1.846 0.797 0.825 1.000 0.700 CA 1.416 11 residues pruned to eliminate duplicates Z: 10 17.510 1.939 0.570 0.785 1.000 0.444 CB 1.492 10 residues pruned to eliminate duplicates Z: 14 12.361 1.741 0.580 0.870 0.923 0.846 CB 0.985 14 residues pruned to eliminate duplicates Z: 12 9.485 1.612 0.264 0.883 0.818 0.636 O 1.241 12 residues pruned to eliminate duplicates Z: 14 12.705 1.773 0.259 0.892 1.000 0.769 CB 1.134 14 residues pruned to eliminate duplicates Z: 17 22.285 2.214 0.578 0.550 0.938 0.750 CA 1.620 17 residues pruned to eliminate duplicates Z: 17 26.540 2.007 0.757 0.888 1.000 0.812 CA 1.356 17 residues pruned to eliminate duplicates Z: 18 20.228 1.991 0.886 0.537 0.824 0.529 CB 1.530 18 residues pruned to eliminate duplicates Z: 21 23.710 2.114 0.645 0.494 0.900 0.350 CB 1.703 21 residues pruned to eliminate duplicates Z: 11 27.360 2.230 0.911 0.842 1.000 0.900 CA 1.512 11 residues pruned to eliminate duplicates Z: 6 3.619 1.517 0.550 0.291 0.800 0.600 O 1.088 Z: 43 41.116 2.079 0.929 0.615 0.929 0.571 CB 1.528 43 residues pruned to eliminate duplicates Z: 37 22.319 2.041 0.521 0.435 0.917 0.583 CB 1.398 37 residues pruned to eliminate duplicates Z: 11 20.545 1.781 1.069 0.844 1.000 0.700 CB 1.312 12 residues pruned to eliminate duplicates Z: 19 25.555 1.838 0.572 0.897 1.000 0.722 CA 1.492 19 residues pruned to eliminate duplicates Z: 18 14.144 1.906 0.770 0.467 0.765 0.471 CB 1.376 18 residues pruned to eliminate duplicates Z: 30 34.037 2.109 0.921 0.647 0.931 0.690 CB 1.461 30 residues pruned to eliminate duplicates Z: 15 38.521 2.326 1.047 0.908 1.000 0.929 CB 1.536 18 residues pruned to eliminate duplicates Z: 15 17.055 1.985 0.397 0.909 1.000 0.857 CB 1.166 15 residues pruned to eliminate duplicates Z: 12 11.243 1.678 0.786 0.797 0.818 0.455 CB 1.066 12 residues pruned to eliminate duplicates Z: 17 28.640 1.993 0.672 0.917 1.000 0.875 CB 1.517 17 residues pruned to eliminate duplicates Z: 14 14.745 1.776 0.457 0.848 1.000 0.769 CB 1.172 14 residues pruned to eliminate duplicates Z: 19 23.870 1.804 0.669 0.924 1.000 0.722 CB 1.312 19 residues pruned to eliminate duplicates Z: 27 56.992 2.345 1.062 0.953 0.923 0.269 CB 1.724 27 residues pruned to eliminate duplicates Z: 11 14.988 1.744 0.395 0.898 1.000 0.900 CB 1.394 10 residues pruned to eliminate duplicates Z: 8 2.735 1.390 0.015 0.398 0.857 0.429 N 0.952 Z: 41 34.470 2.038 0.817 0.659 0.925 0.750 CB 1.372 41 residues pruned to eliminate duplicates Z: 142 74.739 2.116 0.896 0.667 0.936 0.617 CB 1.436 157 residues pruned to eliminate duplicates Z: 6 2.424 1.679 0.538 0.199 0.600 0.200 CB 1.001 Z: 120 80.695 2.184 0.873 0.713 0.941 0.681 CB 1.584 119 residues pruned to eliminate duplicates Z: 19 39.939 2.081 1.075 0.786 1.000 0.611 CA 1.695 19 residues pruned to eliminate duplicates Z: 17 23.775 1.852 0.615 0.908 1.000 0.688 CB 1.412 17 residues pruned to eliminate duplicates Z: 48 46.999 2.102 0.808 0.717 0.936 0.830 CB 1.584 48 residues pruned to eliminate duplicates Z: 17 32.674 2.151 0.971 0.878 1.000 0.875 CA 1.399 17 residues pruned to eliminate duplicates Z: 29 23.660 1.844 0.643 0.639 0.893 0.679 CB 1.452 29 residues pruned to eliminate duplicates Z: 9 12.281 1.841 0.097 0.887 1.000 0.750 CB 1.552 9 residues pruned to eliminate duplicates Z: 13 17.364 1.877 0.584 0.861 1.000 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 17 12.382 1.899 0.449 0.474 0.875 0.500 CB 1.320 17 residues pruned to eliminate duplicates Z: 6 10.815 2.110 0.241 0.854 0.800 0.400 CA 1.706 6 residues pruned to eliminate duplicates Z: 42 24.162 2.126 0.458 0.413 0.854 0.463 CB 1.562 42 residues pruned to eliminate duplicates Z: 11 9.865 2.198 0.385 0.336 0.900 0.400 CB 1.362 11 residues pruned to eliminate duplicates Z: 7 5.480 1.793 0.378 0.448 0.833 0.333 CB 1.147 Z: 21 21.252 1.695 0.488 0.922 1.000 0.850 CB 1.325 21 residues pruned to eliminate duplicates Z: 12 6.624 1.844 0.279 0.332 0.727 0.364 CB 1.399 12 residues pruned to eliminate duplicates Z: 7 20.098 2.194 0.785 0.883 1.000 0.833 N 1.514 7 residues pruned to eliminate duplicates Z: 9 27.858 2.040 1.120 0.908 1.000 0.500 CA 1.618 9 residues pruned to eliminate duplicates Z: 92 50.437 2.143 0.619 0.558 0.912 0.626 CB 1.579 92 residues pruned to eliminate duplicates Z: 11 13.866 1.942 0.381 0.653 0.900 0.500 CA 1.577 11 residues pruned to eliminate duplicates Z: 13 21.573 1.908 0.797 0.919 1.000 1.000 CB 1.281 13 residues pruned to eliminate duplicates Z: 16 28.508 2.003 1.143 0.883 0.933 0.800 CA 1.328 16 residues pruned to eliminate duplicates Z: 88 42.084 2.132 0.508 0.525 0.874 0.644 CB 1.567 88 residues pruned to eliminate duplicates Z: 46 68.523 2.274 0.916 0.842 0.978 0.778 CB 1.786 46 residues pruned to eliminate duplicates Z: 17 22.039 2.113 0.405 0.926 1.000 0.875 CA 1.301 17 residues pruned to eliminate duplicates Z: 12 15.618 1.697 0.416 0.915 1.000 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 47 72.097 2.262 1.044 0.820 0.978 0.717 CB 1.781 47 residues pruned to eliminate duplicates Z: 15 16.232 1.734 0.412 0.847 1.000 0.500 CB 1.316 15 residues pruned to eliminate duplicates Z: 11 14.858 1.746 0.502 0.861 0.900 0.900 CB 1.463 11 residues pruned to eliminate duplicates Z: 7 8.704 1.702 0.877 0.704 0.833 0.833 CB 1.108 Z: 14 15.972 1.705 0.411 0.846 1.000 0.769 CA 1.368 14 residues pruned to eliminate duplicates Z: 21 29.265 2.254 0.727 0.643 0.900 0.750 CB 1.634 21 residues pruned to eliminate duplicates Z: 8 10.235 1.840 0.247 0.841 1.000 0.857 CA 1.257 8 residues pruned to eliminate duplicates Z: 30 64.468 2.321 1.259 0.896 0.966 0.517 CB 1.694 30 residues pruned to eliminate duplicates Z: 19 23.343 1.802 0.707 0.887 0.944 0.778 CB 1.365 19 residues pruned to eliminate duplicates Z: 11 21.058 1.945 0.794 0.861 1.000 0.600 CB 1.403 11 residues pruned to eliminate duplicates Z: 48 47.493 2.075 0.761 0.728 0.979 0.702 CB 1.577 48 residues pruned to eliminate duplicates Z: 10 8.819 2.033 0.368 0.372 0.889 0.444 CB 1.363 10 residues pruned to eliminate duplicates Z: 7 3.624 1.592 0.243 0.486 1.000 0.500 CA 0.758 Z: 11 14.581 1.670 0.497 0.886 1.000 1.000 CA 1.332 Z: 8 4.596 1.632 -0.220 0.676 1.000 0.571 CB 1.161 Z: 15 34.387 2.131 0.886 0.911 1.000 0.714 CA 1.621 15 residues pruned to eliminate duplicates Z: 13 8.764 2.015 0.710 0.539 0.583 0.417 CB 1.212 13 residues pruned to eliminate duplicates Z: 11 21.174 2.085 0.397 0.897 1.000 1.000 CB 1.646 11 residues pruned to eliminate duplicates Z: 31 30.899 2.100 0.735 0.645 0.900 0.700 CB 1.502 31 residues pruned to eliminate duplicates Z: 30 29.716 1.942 0.631 0.876 0.862 0.586 CB 1.469 30 residues pruned to eliminate duplicates Z: 31 21.343 1.846 0.583 0.654 0.833 0.400 CB 1.387 31 residues pruned to eliminate duplicates Z: 46 47.981 2.109 0.738 0.821 0.956 0.800 CB 1.545 46 residues pruned to eliminate duplicates Z: 16 22.317 1.930 0.919 0.933 1.000 0.667 CB 1.086 16 residues pruned to eliminate duplicates Z: 28 37.760 2.037 0.775 0.931 0.963 0.407 CA 1.458 28 residues pruned to eliminate duplicates Z: 7 16.168 2.180 0.502 0.889 1.000 0.667 N 1.452 7 residues pruned to eliminate duplicates Z: 20 23.768 1.763 0.613 0.926 1.000 0.947 CB 1.345 20 residues pruned to eliminate duplicates Z: 65 40.277 2.028 0.629 0.608 0.938 0.672 CB 1.468 65 residues pruned to eliminate duplicates 6 1.311 1.475 0.186 0.401 0.400 0.400 CA 0.930 ? Z: 14 38.622 2.270 1.287 0.913 1.000 0.692 CB 1.460 14 residues pruned to eliminate duplicates Z: 17 23.217 1.955 0.833 0.899 0.938 0.562 CB 1.235 17 residues pruned to eliminate duplicates Z: 15 23.548 1.948 0.729 0.872 1.000 0.714 CA 1.362 15 residues pruned to eliminate duplicates Z: 16 29.653 2.158 1.044 0.921 0.933 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 7 7.057 1.571 0.194 0.826 1.000 0.833 CA 1.158 7 residues pruned to eliminate duplicates Z: 132 67.408 2.141 0.801 0.651 0.916 0.679 CB 1.449 149 residues pruned to eliminate duplicates Z: 49 29.754 2.036 0.629 0.559 0.896 0.604 CB 1.365 49 residues pruned to eliminate duplicates Z: 16 33.900 2.159 1.006 0.928 1.000 0.800 CB 1.415 16 residues pruned to eliminate duplicates Z: 9 8.126 1.817 0.256 0.719 0.750 0.500 N 1.378 9 residues pruned to eliminate duplicates Z: 12 15.280 1.555 1.407 0.901 0.909 0.273 CB 0.967 11 residues pruned to eliminate duplicates Z: 17 29.248 2.071 0.887 0.918 1.000 0.688 CA 1.319 17 residues pruned to eliminate duplicates Z: 50 46.245 2.031 0.767 0.724 0.980 0.694 CB 1.535 50 residues pruned to eliminate duplicates Z: 12 22.851 1.984 1.112 0.854 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 16 37.997 2.066 1.099 0.886 1.000 0.800 CB 1.633 16 residues pruned to eliminate duplicates Z: 16 22.380 1.997 0.577 0.890 1.000 0.867 CA 1.319 16 residues pruned to eliminate duplicates Z: 7 8.027 1.596 0.491 0.546 1.000 1.000 C 1.317 7 residues pruned to eliminate duplicates Z: 13 13.488 1.685 0.194 0.929 0.917 0.833 CA 1.477 13 residues pruned to eliminate duplicates Z: 75 46.490 2.197 0.692 0.474 0.919 0.527 CB 1.625 75 residues pruned to eliminate duplicates Z: 11 13.620 1.912 0.866 0.753 0.700 0.400 CB 1.376 11 residues pruned to eliminate duplicates Z: 17 17.412 2.046 0.196 0.917 1.000 0.812 CA 1.255 17 residues pruned to eliminate duplicates Z: 89 47.399 2.105 0.833 0.550 0.909 0.534 CB 1.372 89 residues pruned to eliminate duplicates Z: 32 23.876 2.010 0.554 0.590 0.871 0.548 CB 1.445 32 residues pruned to eliminate duplicates Z: 55 46.389 2.044 0.779 0.667 0.944 0.685 CB 1.576 55 residues pruned to eliminate duplicates Z: 17 24.859 2.018 0.650 0.893 1.000 0.938 CA 1.340 17 residues pruned to eliminate duplicates Z: 6 7.688 1.966 0.302 0.779 0.800 0.200 CB 1.313 Z: 27 27.917 1.953 0.825 0.625 0.923 0.615 CA 1.478 27 residues pruned to eliminate duplicates Z: 6 3.049 1.718 -0.092 0.363 1.000 0.800 CB 1.013 Z: 8 7.567 1.827 0.350 0.723 0.714 0.286 CB 1.328 8 residues pruned to eliminate duplicates Z: 20 27.277 1.759 0.874 0.932 0.947 0.684 CB 1.399 20 residues pruned to eliminate duplicates Z: 22 24.081 1.969 0.864 0.692 0.810 0.524 CA 1.484 22 residues pruned to eliminate duplicates Z: 38 54.242 2.366 1.132 0.751 0.946 0.649 CB 1.494 38 residues pruned to eliminate duplicates Z: 24 32.236 2.262 0.714 0.595 0.957 0.739 CA 1.655 24 residues pruned to eliminate duplicates Z: 18 43.002 2.152 1.097 0.788 1.000 0.588 CA 1.794 18 residues pruned to eliminate duplicates Z: 15 37.513 2.037 1.280 0.911 1.000 0.929 CA 1.529 15 residues pruned to eliminate duplicates Z: 10 15.677 1.825 0.530 0.892 1.000 1.000 CB 1.345 10 residues pruned to eliminate duplicates Z: 16 20.698 1.931 0.865 0.912 1.000 0.867 CB 1.051 16 residues pruned to eliminate duplicates Z: 16 30.572 2.109 0.860 0.927 1.000 0.933 CA 1.410 16 residues pruned to eliminate duplicates Z: 14 19.438 1.759 0.804 0.895 1.000 0.846 CB 1.218 14 residues pruned to eliminate duplicates Z: 46 73.640 2.286 1.092 0.837 0.978 0.533 CB 1.756 46 residues pruned to eliminate duplicates Z: 6 13.253 1.845 0.874 0.843 1.000 1.000 CA 1.276 6 residues pruned to eliminate duplicates Z: 18 38.461 2.181 0.941 0.767 1.000 0.471 CB 1.739 18 residues pruned to eliminate duplicates Z: 11 12.841 1.718 0.587 0.813 0.900 0.700 CA 1.261 11 residues pruned to eliminate duplicates Z: 23 31.612 1.946 0.850 0.903 0.955 0.455 CB 1.398 22 residues pruned to eliminate duplicates Z: 52 68.490 2.297 0.976 0.727 0.961 0.667 CA 1.793 52 residues pruned to eliminate duplicates Z: 16 40.613 2.166 1.436 0.933 0.933 0.800 CB 1.486 16 residues pruned to eliminate duplicates Z: 16 28.441 2.074 0.742 0.932 1.000 0.867 CA 1.419 16 residues pruned to eliminate duplicates Z: 6 14.650 1.899 0.845 0.721 1.000 1.000 C 1.531 6 residues pruned to eliminate duplicates Z: 64 59.080 2.189 0.958 0.693 0.937 0.492 CB 1.555 64 residues pruned to eliminate duplicates Z: 17 14.976 1.805 0.788 0.640 0.938 0.375 CB 1.086 16 residues pruned to eliminate duplicates Z: 10 16.219 1.982 0.573 0.841 1.000 0.778 CB 1.293 10 residues pruned to eliminate duplicates Z: 6 2.356 1.772 0.174 0.476 0.800 0.600 CB 0.648 Z: 61 42.432 2.057 0.665 0.659 0.917 0.700 CB 1.505 61 residues pruned to eliminate duplicates Z: 40 33.783 2.026 0.871 0.670 0.897 0.564 CB 1.359 40 residues pruned to eliminate duplicates Z: 13 22.242 1.889 0.823 0.819 1.000 0.833 CA 1.414 13 residues pruned to eliminate duplicates Z: 20 27.373 1.781 0.735 0.907 1.000 0.737 CB 1.445 20 residues pruned to eliminate duplicates Z: 6 8.198 1.672 0.798 0.543 1.000 0.400 CA 1.170 7 residues pruned to eliminate duplicates Z: 13 11.052 1.591 0.487 0.829 0.917 0.750 CB 1.107 Z: 20 35.960 2.337 0.930 0.848 0.789 0.474 CB 1.719 20 residues pruned to eliminate duplicates Z: 26 36.510 2.004 0.879 0.928 0.920 0.720 CA 1.475 26 residues pruned to eliminate duplicates Z: 16 33.355 2.091 0.895 0.856 0.933 0.600 CA 1.717 16 residues pruned to eliminate duplicates Z: 11 5.806 1.797 0.424 0.236 0.800 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 8 6.921 1.545 0.272 0.836 0.857 0.714 CA 1.163 8 residues pruned to eliminate duplicates Z: 15 23.191 2.042 0.720 0.912 1.000 0.857 CB 1.250 15 residues pruned to eliminate duplicates Z: 6 8.748 1.841 0.276 0.825 1.000 0.800 CA 1.257 6 residues pruned to eliminate duplicates Z: 14 34.034 2.139 0.997 0.912 1.000 1.000 CA 1.565 14 residues pruned to eliminate duplicates 6 1.060 1.582 -0.103 0.358 0.600 0.400 CB 0.649 ? Z: 12 13.145 1.668 0.340 0.844 1.000 0.727 CA 1.319 12 residues pruned to eliminate duplicates Z: 21 11.454 1.762 0.264 0.596 0.900 0.650 CB 1.165 21 residues pruned to eliminate duplicates Z: 7 2.818 1.372 0.111 0.382 0.833 0.500 O 1.027 Z: 19 13.203 1.790 0.439 0.507 0.944 0.500 CB 1.271 19 residues pruned to eliminate duplicates Z: 8 3.585 1.641 0.126 0.423 0.857 0.429 CB 0.927 Z: 17 16.535 2.004 0.638 0.361 0.938 0.625 CB 1.560 17 residues pruned to eliminate duplicates Z: 11 20.296 2.099 0.622 0.836 1.000 0.700 CB 1.412 11 residues pruned to eliminate duplicates Z: 15 16.714 1.924 0.968 0.679 0.929 0.786 CB 1.078 15 residues pruned to eliminate duplicates Z: 11 10.424 1.585 0.346 0.896 0.800 0.300 O 1.383 11 residues pruned to eliminate duplicates Z: 6 12.305 1.951 0.769 0.671 1.000 0.600 CB 1.362 6 residues pruned to eliminate duplicates Z: 7 6.584 1.390 0.452 0.858 1.000 0.833 CA 0.980 7 residues pruned to eliminate duplicates Z: 43 46.743 1.929 0.980 0.853 0.976 0.714 CB 1.430 42 residues pruned to eliminate duplicates Z: 13 11.943 1.530 0.451 0.902 0.917 0.750 O 1.209 13 residues pruned to eliminate duplicates Z: 19 29.374 1.829 0.814 0.891 1.000 0.611 CB 1.501 19 residues pruned to eliminate duplicates Z: 14 33.162 2.066 0.963 0.904 1.000 0.692 CB 1.616 14 residues pruned to eliminate duplicates Z: 12 15.384 1.893 0.667 0.902 0.909 0.636 CA 1.154 12 residues pruned to eliminate duplicates Z: 11 18.268 1.894 0.668 0.883 1.000 1.000 CA 1.322 11 residues pruned to eliminate duplicates Z: 72 50.683 2.151 0.804 0.590 0.944 0.620 CB 1.507 72 residues pruned to eliminate duplicates Z: 16 19.621 1.988 1.015 0.709 0.933 0.667 CB 1.121 16 residues pruned to eliminate duplicates Z: 14 36.321 2.098 1.119 0.921 1.000 0.846 CA 1.595 14 residues pruned to eliminate duplicates Z: 18 25.779 1.870 0.783 0.852 1.000 0.765 CA 1.386 18 residues pruned to eliminate duplicates Z: 12 22.852 1.894 0.827 0.896 1.000 1.000 CB 1.426 12 residues pruned to eliminate duplicates Z: 30 19.793 1.736 0.441 0.751 0.966 0.621 CB 1.216 30 residues pruned to eliminate duplicates Z: 23 23.310 2.152 0.546 0.619 0.909 0.682 CB 1.469 23 residues pruned to eliminate duplicates Z: 24 12.462 1.884 0.476 0.537 0.739 0.391 CB 1.220 24 residues pruned to eliminate duplicates Z: 12 7.889 1.895 0.539 0.281 0.818 0.727 CB 1.276 12 residues pruned to eliminate duplicates Z: 13 22.578 1.910 1.207 0.818 1.000 0.750 CA 1.173 13 residues pruned to eliminate duplicates Z: 11 23.304 2.070 0.633 0.908 1.000 0.900 CA 1.548 11 residues pruned to eliminate duplicates Z: 34 25.041 2.157 0.651 0.460 0.879 0.515 CB 1.451 34 residues pruned to eliminate duplicates Z: 14 37.678 2.068 1.416 0.923 1.000 0.308 CA 1.470 14 residues pruned to eliminate duplicates Z: 11 13.916 1.750 0.317 0.934 0.900 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 11 8.449 1.736 0.145 0.786 0.800 0.700 CB 1.307 11 residues pruned to eliminate duplicates Z: 12 10.381 1.870 0.055 0.631 1.000 0.636 CA 1.403 12 residues pruned to eliminate duplicates Z: 20 22.201 1.741 0.499 0.933 0.947 0.842 CB 1.437 20 residues pruned to eliminate duplicates Z: 47 75.963 2.298 1.126 0.802 0.978 0.739 CB 1.800 47 residues pruned to eliminate duplicates Z: 8 6.520 1.984 0.005 0.394 1.000 0.714 CB 1.382 8 residues pruned to eliminate duplicates Z: 41 28.941 2.127 0.748 0.436 0.975 0.525 CB 1.349 41 residues pruned to eliminate duplicates Z: 33 24.215 2.067 0.711 0.470 0.906 0.500 CB 1.377 33 residues pruned to eliminate duplicates Z: 11 16.947 1.698 0.931 0.914 1.000 0.300 CB 1.157 11 residues pruned to eliminate duplicates Z: 15 24.553 2.173 0.789 0.890 0.929 0.429 CB 1.308 15 residues pruned to eliminate duplicates Z: 14 8.182 2.038 0.396 0.314 0.769 0.538 CB 1.274 14 residues pruned to eliminate duplicates Z: 6 4.077 1.370 0.428 0.782 1.000 0.800 CB 0.727 Z: 27 14.222 1.838 0.613 0.430 0.885 0.423 CB 1.144 39 residues pruned to eliminate duplicates Z: 20 16.390 1.653 0.395 0.863 0.947 0.737 CB 1.263 20 residues pruned to eliminate duplicates Z: 14 15.633 1.683 0.474 0.901 1.000 0.692 CB 1.248 14 residues pruned to eliminate duplicates 6 1.551 1.578 -0.107 0.281 0.600 0.600 CB 1.050 ? Z: 33 29.313 2.010 0.967 0.598 0.906 0.469 CB 1.316 33 residues pruned to eliminate duplicates Z: 6 3.242 1.277 0.311 0.490 1.000 0.600 CA 0.875 Z: 17 14.030 1.650 0.675 0.745 0.938 0.250 CB 1.088 17 residues pruned to eliminate duplicates Z: 11 16.163 1.959 0.568 0.716 1.000 0.400 CA 1.369 11 residues pruned to eliminate duplicates Z: 39 21.645 1.874 0.713 0.573 0.921 0.553 CB 1.107 39 residues pruned to eliminate duplicates Z: 7 7.592 1.388 1.028 0.869 1.000 1.000 CB 0.804 7 residues pruned to eliminate duplicates Z: 22 36.709 2.128 0.640 0.946 1.000 1.000 CA 1.587 22 residues pruned to eliminate duplicates Z: 22 24.699 1.983 0.531 0.924 1.000 0.810 CA 1.247 22 residues pruned to eliminate duplicates Z: 10 11.675 1.659 0.257 0.889 1.000 0.333 CB 1.343 10 residues pruned to eliminate duplicates Z: 49 35.524 2.128 0.663 0.536 0.938 0.521 CB 1.491 49 residues pruned to eliminate duplicates Z: 11 9.864 1.730 0.402 0.604 0.800 0.700 O 1.456 11 residues pruned to eliminate duplicates Z: 12 23.047 1.976 1.152 0.876 1.000 0.636 CB 1.187 12 residues pruned to eliminate duplicates Z: 27 39.569 2.077 0.799 0.922 1.000 0.538 CB 1.461 27 residues pruned to eliminate duplicates Z: 70 46.482 2.239 0.687 0.492 0.913 0.580 CB 1.635 70 residues pruned to eliminate duplicates Z: 6 2.954 1.554 0.012 0.366 1.000 0.200 N 0.970 Z: 11 6.777 1.590 0.294 0.829 0.900 0.600 CB 0.871 Z: 10 6.634 1.930 -0.018 0.520 0.889 0.667 CB 1.286 10 residues pruned to eliminate duplicates Z: 43 28.825 2.042 0.528 0.630 0.929 0.667 CB 1.359 43 residues pruned to eliminate duplicates Z: 6 3.825 1.537 0.432 0.297 0.800 0.400 C 1.219 Z: 6 11.692 1.698 1.065 0.852 1.000 0.400 CB 1.103 6 residues pruned to eliminate duplicates Z: 18 31.387 2.089 0.952 0.903 1.000 0.824 CB 1.331 18 residues pruned to eliminate duplicates Z: 17 11.576 2.082 0.455 0.310 0.938 0.500 CB 1.258 17 residues pruned to eliminate duplicates Z: 12 12.508 1.663 0.144 0.910 1.000 1.000 CA 1.406 12 residues pruned to eliminate duplicates Z: 25 35.450 1.951 0.948 0.909 1.000 0.583 CB 1.352 25 residues pruned to eliminate duplicates Z: 16 19.654 2.072 0.559 0.580 0.933 0.667 CA 1.558 16 residues pruned to eliminate duplicates Z: 17 13.274 1.565 0.743 0.775 0.812 0.562 CB 1.174 16 residues pruned to eliminate duplicates Z: 7 3.933 1.601 0.495 0.376 0.667 0.500 CB 1.149 Z: 16 19.141 1.872 0.951 0.889 1.000 0.867 CB 0.975 16 residues pruned to eliminate duplicates Z: 9 22.432 2.094 1.007 0.656 1.000 0.750 CB 1.633 9 residues pruned to eliminate duplicates Z: 41 35.215 2.114 0.688 0.673 0.900 0.675 CB 1.478 41 residues pruned to eliminate duplicates Z: 14 12.133 2.002 0.398 0.463 0.846 0.692 CA 1.475 14 residues pruned to eliminate duplicates Z: 90 52.299 2.067 0.754 0.581 0.955 0.663 CB 1.482 90 residues pruned to eliminate duplicates Z: 20 21.145 2.031 0.601 0.580 0.947 0.474 CB 1.458 20 residues pruned to eliminate duplicates Z: 23 32.790 2.048 0.743 0.961 0.955 0.727 CA 1.404 23 residues pruned to eliminate duplicates Z: 61 74.311 2.238 1.024 0.756 0.967 0.667 CB 1.745 61 residues pruned to eliminate duplicates Z: 14 36.331 2.208 1.174 0.837 1.000 0.538 CA 1.570 14 residues pruned to eliminate duplicates Z: 19 22.488 1.815 0.614 0.923 0.944 0.722 CB 1.347 19 residues pruned to eliminate duplicates Z: 15 42.942 2.236 1.367 0.938 1.000 0.500 CB 1.508 15 residues pruned to eliminate duplicates Z: 44 37.373 1.917 0.832 0.685 0.930 0.674 CB 1.472 44 residues pruned to eliminate duplicates Z: 17 17.808 2.187 0.388 0.534 0.875 0.750 CB 1.621 17 residues pruned to eliminate duplicates Z: 15 6.680 1.810 0.629 0.369 0.786 0.429 CB 0.888 15 residues pruned to eliminate duplicates Z: 7 2.696 1.673 -0.071 0.335 0.667 0.333 N 1.273 Z: 6 2.471 1.256 0.334 0.441 0.800 0.400 N 0.876 Z: 16 41.017 2.037 1.384 0.942 1.000 0.933 CB 1.512 16 residues pruned to eliminate duplicates Z: 15 13.728 1.953 0.931 0.442 0.714 0.357 CA 1.446 15 residues pruned to eliminate duplicates Z: 8 3.908 1.524 1.032 0.281 0.571 0.429 N 1.069 Z: 19 26.372 1.786 0.691 0.940 1.000 0.778 CB 1.429 20 residues pruned to eliminate duplicates Z: 33 28.115 2.027 0.582 0.599 0.969 0.594 CB 1.455 33 residues pruned to eliminate duplicates Z: 6 2.860 1.710 0.351 0.299 0.600 0.400 CA 1.155 Z: 17 16.053 1.783 0.677 0.792 0.812 0.688 CA 1.279 17 residues pruned to eliminate duplicates Z: 7 4.913 1.321 0.671 0.403 0.833 0.500 C 1.207 6 residues pruned to eliminate duplicates Z: 12 11.404 1.648 0.116 0.928 1.000 0.909 CA 1.310 12 residues pruned to eliminate duplicates Z: 10 9.623 1.670 0.339 0.836 1.000 0.889 CB 1.074 11 residues pruned to eliminate duplicates Z: 30 25.782 2.257 0.538 0.483 0.862 0.448 CB 1.627 30 residues pruned to eliminate duplicates Z: 92 48.476 2.104 0.691 0.557 0.934 0.648 CB 1.446 92 residues pruned to eliminate duplicates Z: 44 35.151 2.006 0.953 0.662 0.860 0.465 CB 1.369 44 residues pruned to eliminate duplicates Z: 11 7.335 1.607 0.334 0.549 0.900 0.800 CB 1.145 Z: 48 44.091 1.996 0.794 0.695 0.957 0.723 CB 1.569 48 residues pruned to eliminate duplicates 6 1.707 1.225 0.618 0.361 0.800 0.400 CB 0.559 ? Z: 17 28.173 1.986 0.932 0.898 1.000 0.938 CB 1.313 17 residues pruned to eliminate duplicates Z: 6 5.426 1.805 0.396 0.828 0.800 0.800 CB 0.907 6 residues pruned to eliminate duplicates Z: 8 10.958 2.030 0.412 0.565 1.000 0.571 CB 1.355 8 residues pruned to eliminate duplicates Z: 12 13.156 1.869 0.723 0.673 1.000 0.818 CB 1.050 12 residues pruned to eliminate duplicates Z: 6 4.054 1.403 0.405 0.389 1.000 0.600 CB 1.035 Z: 14 19.061 1.900 0.517 0.834 0.923 0.923 CB 1.489 14 residues pruned to eliminate duplicates Z: 10 3.712 1.350 0.007 0.677 0.778 0.556 O 0.994 Z: 11 24.275 2.108 0.931 0.929 1.000 0.700 CA 1.319 11 residues pruned to eliminate duplicates Z: 12 7.767 2.068 0.343 0.377 0.727 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 10 7.920 1.620 0.328 0.776 0.889 0.667 CB 1.082 10 residues pruned to eliminate duplicates Z: 11 8.412 1.589 0.211 0.845 0.900 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 15 17.290 1.865 0.736 0.746 0.929 0.714 CB 1.234 15 residues pruned to eliminate duplicates Z: 20 23.924 2.000 1.015 0.693 0.842 0.632 CB 1.355 20 residues pruned to eliminate duplicates Z: 20 10.229 1.778 0.691 0.365 0.789 0.526 CB 1.144 20 residues pruned to eliminate duplicates Z: 12 23.104 1.916 0.813 0.878 1.000 0.636 CB 1.455 12 residues pruned to eliminate duplicates Z: 7 4.215 1.485 0.469 0.379 0.833 0.667 N 1.077 Z: 12 12.896 1.638 0.356 0.912 0.909 0.545 N 1.363 12 residues pruned to eliminate duplicates Z: 98 74.490 2.146 0.940 0.688 0.959 0.526 CB 1.595 98 residues pruned to eliminate duplicates Z: 47 66.348 2.260 1.062 0.841 0.913 0.565 CB 1.714 47 residues pruned to eliminate duplicates Z: 19 28.180 1.763 0.824 0.934 1.000 0.500 CB 1.441 20 residues pruned to eliminate duplicates Z: 7 2.280 1.450 0.120 0.533 1.000 0.667 CB 0.555 Z: 40 35.336 2.106 0.526 0.644 0.974 0.744 CA 1.580 40 residues pruned to eliminate duplicates Z: 50 67.087 2.281 1.078 0.777 0.959 0.469 CB 1.650 50 residues pruned to eliminate duplicates Z: 13 8.024 1.909 0.467 0.318 0.917 0.583 CB 1.103 13 residues pruned to eliminate duplicates Z: 14 10.029 1.752 0.031 0.879 1.000 0.846 CB 1.116 14 residues pruned to eliminate duplicates Z: 57 70.362 2.308 0.947 0.749 0.946 0.625 CA 1.770 57 residues pruned to eliminate duplicates Z: 35 24.744 1.956 0.598 0.565 0.912 0.529 CB 1.399 35 residues pruned to eliminate duplicates Z: 9 11.410 1.903 0.329 0.773 0.875 0.625 CA 1.432 9 residues pruned to eliminate duplicates Z: 13 8.685 1.692 0.240 0.896 1.000 0.750 CB 0.856 13 residues pruned to eliminate duplicates Z: 8 5.838 1.799 0.332 0.296 0.857 0.571 CA 1.350 8 residues pruned to eliminate duplicates Z: 10 13.839 1.831 0.247 0.880 1.000 1.000 CA 1.465 10 residues pruned to eliminate duplicates Z: 10 24.881 2.048 1.042 0.873 1.000 0.667 CB 1.445 10 residues pruned to eliminate duplicates Z: 7 3.064 1.476 0.351 0.245 0.667 0.333 N 1.264 Z: 16 34.685 2.123 0.800 0.841 1.000 0.867 CA 1.748 16 residues pruned to eliminate duplicates Z: 7 2.294 1.244 0.603 0.426 0.667 0.500 N 0.761 Z: 10 11.760 2.020 0.781 0.729 0.778 0.667 CB 1.139 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 13.482 1.640 0.436 0.912 0.900 0.600 O 1.424 11 residues pruned to eliminate duplicates Z: 8 4.170 1.519 0.483 0.375 0.714 0.429 CA 1.119 8 residues pruned to eliminate duplicates Z: 18 11.728 1.706 0.402 0.543 0.824 0.588 CB 1.384 18 residues pruned to eliminate duplicates Z: 10 11.628 1.669 0.425 0.808 0.889 0.556 CA 1.401 10 residues pruned to eliminate duplicates Z: 10 11.480 1.643 0.359 0.916 0.889 0.333 CB 1.362 10 residues pruned to eliminate duplicates Z: 11 11.865 1.621 0.383 0.737 1.000 0.400 CB 1.353 11 residues pruned to eliminate duplicates Z: 8 6.650 1.552 0.438 0.635 0.714 0.143 CA 1.389 8 residues pruned to eliminate duplicates Z: 11 10.355 1.586 0.466 0.811 0.800 0.200 CB 1.343 11 residues pruned to eliminate duplicates Z: 10 11.216 1.660 0.400 0.818 0.889 0.222 CB 1.373 10 residues pruned to eliminate duplicates Z: 16 8.606 1.677 0.395 0.471 0.733 0.333 CB 1.334 16 residues pruned to eliminate duplicates Z: 44 26.386 1.920 0.651 0.552 0.884 0.535 CB 1.365 44 residues pruned to eliminate duplicates Z: 13 5.864 1.623 0.553 0.528 0.583 0.417 CB 1.120 13 residues pruned to eliminate duplicates Z: 27 14.410 1.962 0.508 0.413 0.846 0.462 CB 1.237 27 residues pruned to eliminate duplicates Z: 20 11.269 1.800 0.323 0.456 0.947 0.368 CB 1.198 20 residues pruned to eliminate duplicates Z: 20 16.551 2.075 0.526 0.474 0.842 0.368 CB 1.462 20 residues pruned to eliminate duplicates Z: 45 24.754 1.909 0.558 0.558 0.886 0.523 CB 1.338 45 residues pruned to eliminate duplicates Z: 32 19.298 1.898 0.579 0.547 0.839 0.452 CB 1.317 32 residues pruned to eliminate duplicates Z: 16 5.160 1.669 0.347 0.264 0.733 0.400 CB 1.058 16 residues pruned to eliminate duplicates Z: 34 16.712 1.932 0.431 0.495 0.788 0.424 CB 1.342 34 residues pruned to eliminate duplicates Z: 52 25.305 1.827 0.568 0.535 0.882 0.549 CB 1.354 52 residues pruned to eliminate duplicates Z: 19 18.873 2.103 0.678 0.585 0.833 0.611 CB 1.394 19 residues pruned to eliminate duplicates Z: 45 28.190 1.939 0.667 0.608 0.886 0.523 CB 1.339 45 residues pruned to eliminate duplicates Z: 34 28.088 2.019 0.665 0.610 0.970 0.606 CB 1.351 34 residues pruned to eliminate duplicates Z: 43 20.502 1.841 0.583 0.542 0.857 0.381 CB 1.214 43 residues pruned to eliminate duplicates Z: 50 23.691 1.929 0.680 0.507 0.816 0.510 CB 1.271 50 residues pruned to eliminate duplicates Z: 44 21.407 1.879 0.470 0.513 0.907 0.465 CB 1.286 44 residues pruned to eliminate duplicates Z: 29 18.899 1.929 0.575 0.603 0.821 0.464 CB 1.298 29 residues pruned to eliminate duplicates Z: 34 28.527 2.037 0.622 0.628 0.970 0.697 CB 1.374 34 residues pruned to eliminate duplicates Z: 45 26.880 1.885 0.681 0.545 0.886 0.523 CB 1.380 45 residues pruned to eliminate duplicates Z: 44 29.463 1.944 0.672 0.609 0.930 0.628 CB 1.341 44 residues pruned to eliminate duplicates Z: 35 27.730 1.992 0.672 0.619 0.941 0.500 CB 1.356 35 residues pruned to eliminate duplicates Z: 45 26.899 1.894 0.701 0.593 0.841 0.614 CB 1.370 45 residues pruned to eliminate duplicates Z: 26 29.050 2.071 0.812 0.648 0.920 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 26 16.669 1.816 0.581 0.493 0.920 0.520 CB 1.272 26 residues pruned to eliminate duplicates Z: 57 30.369 1.917 0.680 0.574 0.911 0.554 CB 1.289 57 residues pruned to eliminate duplicates Z: 30 22.881 1.992 0.707 0.529 0.862 0.655 CB 1.407 30 residues pruned to eliminate duplicates Z: 16 20.347 1.911 0.908 0.630 0.867 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 34 28.863 1.999 0.813 0.591 0.909 0.636 CB 1.398 34 residues pruned to eliminate duplicates Z: 39 25.715 1.999 0.653 0.542 0.895 0.684 CB 1.355 39 residues pruned to eliminate duplicates Z: 32 24.843 2.003 0.678 0.592 0.903 0.452 CB 1.346 32 residues pruned to eliminate duplicates Z: 26 23.642 1.995 0.734 0.605 0.880 0.320 CB 1.406 26 residues pruned to eliminate duplicates Z: 22 11.285 1.885 0.857 0.341 0.667 0.619 CB 1.255 22 residues pruned to eliminate duplicates Z: 39 23.527 1.990 0.713 0.541 0.842 0.447 CB 1.277 39 residues pruned to eliminate duplicates Z: 57 26.956 1.906 0.653 0.530 0.893 0.518 CB 1.244 57 residues pruned to eliminate duplicates Z: 41 18.323 1.898 0.551 0.545 0.750 0.350 CB 1.256 41 residues pruned to eliminate duplicates Z: 27 16.338 1.971 0.648 0.481 0.769 0.462 CB 1.307 27 residues pruned to eliminate duplicates Z: 57 27.324 1.911 0.591 0.547 0.893 0.571 CB 1.285 57 residues pruned to eliminate duplicates Z: 12 14.173 1.989 0.890 0.503 1.000 0.818 CB 1.133 12 residues pruned to eliminate duplicates Z: 23 16.531 1.919 0.788 0.565 0.955 0.455 CB 1.010 23 residues pruned to eliminate duplicates Z: 39 23.171 1.953 0.622 0.464 0.921 0.632 CB 1.336 39 residues pruned to eliminate duplicates Z: 18 10.478 1.956 0.648 0.428 0.765 0.647 CB 1.111 18 residues pruned to eliminate duplicates Z: 16 10.399 1.829 0.801 0.386 0.867 0.533 CB 1.061 16 residues pruned to eliminate duplicates Z: 22 18.300 1.954 0.926 0.607 0.905 0.429 CB 1.059 22 residues pruned to eliminate duplicates Z: 30 22.741 1.962 0.825 0.562 0.897 0.552 CB 1.239 30 residues pruned to eliminate duplicates Z: 12 16.134 1.986 0.972 0.603 1.000 0.909 CB 1.126 12 residues pruned to eliminate duplicates Z: 24 11.825 1.798 0.488 0.457 0.870 0.565 CB 1.107 24 residues pruned to eliminate duplicates Z: 19 8.312 1.637 0.590 0.374 0.944 0.444 CB 0.912 Z: 10 17.140 1.876 0.537 0.895 1.000 0.889 CA 1.420 11 residues pruned to eliminate duplicates Z: 11 15.420 1.769 0.540 0.860 0.900 0.900 CA 1.461 11 residues pruned to eliminate duplicates Z: 12 14.044 1.901 0.531 0.630 0.909 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 13 10.673 1.752 0.268 0.613 1.000 0.583 CB 1.246 13 residues pruned to eliminate duplicates Z: 86 50.457 1.978 0.842 0.719 0.906 0.482 CB 1.360 81 residues pruned to eliminate duplicates Z: 10 19.597 1.901 0.604 0.883 1.000 0.667 CB 1.549 10 residues pruned to eliminate duplicates Z: 10 18.536 1.856 0.737 0.862 0.889 0.556 CB 1.582 10 residues pruned to eliminate duplicates Z: 10 7.455 1.602 0.423 0.738 0.889 0.556 CB 0.991 10 residues pruned to eliminate duplicates Z: 10 5.364 1.542 0.465 0.767 0.778 0.444 CB 0.803 10 residues pruned to eliminate duplicates Z: 9 7.148 1.674 0.373 0.818 0.750 0.375 CB 1.112 9 residues pruned to eliminate duplicates Z: 11 10.422 1.594 0.450 0.869 1.000 0.700 CB 1.042 10 residues pruned to eliminate duplicates Z: 8 6.465 1.692 0.301 0.837 0.857 0.714 CB 0.969 8 residues pruned to eliminate duplicates Z: 10 8.216 1.648 0.364 0.836 0.889 0.556 CB 1.026 10 residues pruned to eliminate duplicates Z: 11 11.900 1.614 0.576 0.896 1.000 0.600 CB 1.060 11 residues pruned to eliminate duplicates Z: 11 12.276 1.581 0.724 0.857 0.900 0.600 CB 1.166 11 residues pruned to eliminate duplicates Z: 6 9.617 1.822 0.791 0.566 1.000 0.800 CA 1.237 6 residues pruned to eliminate duplicates Z: 6 8.025 1.547 0.656 0.742 1.000 0.800 CA 1.129 6 residues pruned to eliminate duplicates Z: 14 5.719 1.842 0.038 0.270 0.923 0.154 CB 1.167 14 residues pruned to eliminate duplicates Z: 17 13.457 2.083 0.521 0.350 0.938 0.625 CB 1.333 17 residues pruned to eliminate duplicates Z: 89 48.138 2.089 0.602 0.572 0.955 0.705 CB 1.499 89 residues pruned to eliminate duplicates Z: 55 33.455 2.108 0.744 0.500 0.870 0.630 CB 1.422 55 residues pruned to eliminate duplicates Z: 38 24.829 2.004 0.648 0.438 0.919 0.568 CB 1.434 38 residues pruned to eliminate duplicates Z: 89 48.134 2.090 0.616 0.581 0.943 0.659 CB 1.489 89 residues pruned to eliminate duplicates Z: 89 48.161 2.076 0.684 0.560 0.943 0.682 CB 1.470 89 residues pruned to eliminate duplicates Z: 39 19.061 2.039 0.456 0.400 0.895 0.447 CB 1.293 39 residues pruned to eliminate duplicates Z: 29 19.945 2.062 0.652 0.474 0.857 0.607 CB 1.325 29 residues pruned to eliminate duplicates Z: 22 13.353 1.994 0.589 0.311 0.952 0.429 CB 1.191 22 residues pruned to eliminate duplicates Z: 16 17.543 2.164 0.684 0.366 1.000 0.533 CB 1.435 16 residues pruned to eliminate duplicates Z: 17 13.650 2.088 0.767 0.317 0.812 0.375 CB 1.392 17 residues pruned to eliminate duplicates Z: 35 22.623 2.058 0.599 0.429 0.912 0.618 CB 1.392 35 residues pruned to eliminate duplicates Z: 85 47.131 2.017 0.695 0.574 0.976 0.607 CB 1.436 85 residues pruned to eliminate duplicates Z: 90 47.682 2.074 0.684 0.573 0.921 0.697 CB 1.465 90 residues pruned to eliminate duplicates Z: 39 22.001 2.027 0.666 0.383 0.868 0.605 CB 1.379 39 residues pruned to eliminate duplicates Z: 51 30.623 2.017 0.706 0.516 0.900 0.540 CB 1.376 51 residues pruned to eliminate duplicates Z: 56 33.913 2.084 0.735 0.476 0.909 0.600 CB 1.425 56 residues pruned to eliminate duplicates Z: 29 20.790 2.068 0.627 0.444 0.893 0.536 CB 1.385 29 residues pruned to eliminate duplicates Z: 26 20.804 2.154 0.532 0.520 0.880 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 21 13.905 1.984 0.526 0.465 0.850 0.400 CB 1.253 21 residues pruned to eliminate duplicates Z: 69 43.729 2.055 0.681 0.619 0.926 0.647 CB 1.480 69 residues pruned to eliminate duplicates Z: 21 10.243 1.868 0.493 0.388 0.800 0.350 CB 1.156 21 residues pruned to eliminate duplicates Z: 22 14.544 1.912 0.516 0.442 0.857 0.429 CB 1.355 22 residues pruned to eliminate duplicates Z: 37 21.842 2.003 0.625 0.524 0.833 0.556 CB 1.311 37 residues pruned to eliminate duplicates Z: 53 30.243 2.143 0.637 0.471 0.885 0.538 CB 1.392 53 residues pruned to eliminate duplicates Z: 54 31.921 2.133 0.692 0.467 0.887 0.528 CB 1.418 54 residues pruned to eliminate duplicates Z: 65 43.423 2.063 0.683 0.606 0.938 0.688 CB 1.507 65 residues pruned to eliminate duplicates Z: 72 36.031 2.057 0.506 0.595 0.887 0.606 CB 1.420 72 residues pruned to eliminate duplicates Z: 26 25.793 2.162 0.739 0.552 0.880 0.640 CB 1.482 26 residues pruned to eliminate duplicates Z: 36 16.670 1.989 0.382 0.365 0.857 0.314 CB 1.382 36 residues pruned to eliminate duplicates Z: 88 45.081 2.091 0.674 0.544 0.897 0.644 CB 1.476 88 residues pruned to eliminate duplicates Z: 10 9.681 2.132 0.519 0.396 0.778 0.333 CB 1.430 10 residues pruned to eliminate duplicates Z: 64 39.538 2.057 0.609 0.605 0.905 0.651 CB 1.505 64 residues pruned to eliminate duplicates Z: 25 28.726 2.193 0.847 0.573 0.875 0.667 CB 1.541 25 residues pruned to eliminate duplicates Z: 19 30.900 2.210 1.202 0.619 0.833 0.722 CB 1.604 19 residues pruned to eliminate duplicates Z: 29 26.350 2.142 0.862 0.507 0.857 0.643 CB 1.446 29 residues pruned to eliminate duplicates Z: 65 39.371 1.994 0.610 0.599 0.953 0.703 CB 1.463 65 residues pruned to eliminate duplicates Z: 33 23.476 2.022 0.764 0.488 0.875 0.656 CB 1.346 33 residues pruned to eliminate duplicates Z: 16 34.820 2.202 1.257 0.683 0.933 0.733 CB 1.638 16 residues pruned to eliminate duplicates Z: 88 43.041 2.080 0.669 0.559 0.885 0.586 CB 1.418 88 residues pruned to eliminate duplicates Z: 15 33.141 2.125 1.158 0.838 0.929 0.571 CA 1.554 15 residues pruned to eliminate duplicates Z: 16 27.812 2.093 1.354 0.731 0.800 0.533 CB 1.480 16 residues pruned to eliminate duplicates Z: 17 25.938 2.022 1.263 0.648 0.875 0.750 CB 1.410 17 residues pruned to eliminate duplicates Z: 51 49.040 2.035 0.775 0.727 1.000 0.680 CB 1.564 51 residues pruned to eliminate duplicates Z: 49 47.158 2.056 0.762 0.710 0.979 0.604 CB 1.585 49 residues pruned to eliminate duplicates Z: 65 40.840 2.034 0.688 0.613 0.891 0.562 CB 1.500 65 residues pruned to eliminate duplicates Z: 9 11.314 1.689 1.050 0.839 1.000 0.500 CB 0.863 9 residues pruned to eliminate duplicates Z: 49 43.569 2.034 0.745 0.714 0.958 0.521 CB 1.523 49 residues pruned to eliminate duplicates Z: 49 44.017 2.056 0.760 0.723 0.938 0.583 CB 1.532 49 residues pruned to eliminate duplicates Z: 43 36.769 1.994 0.665 0.704 0.976 0.690 CB 1.454 43 residues pruned to eliminate duplicates Z: 51 46.879 2.024 0.755 0.728 0.980 0.580 CB 1.551 51 residues pruned to eliminate duplicates Z: 11 13.341 1.969 0.379 0.704 1.000 0.600 CA 1.292 11 residues pruned to eliminate duplicates Z: 35 30.134 1.958 0.555 0.689 0.941 0.618 CB 1.516 35 residues pruned to eliminate duplicates Z: 52 44.828 2.024 0.768 0.700 0.961 0.627 CB 1.522 52 residues pruned to eliminate duplicates Z: 50 49.947 2.029 0.838 0.704 0.980 0.714 CB 1.621 50 residues pruned to eliminate duplicates Z: 49 45.524 2.083 0.823 0.704 0.958 0.562 CB 1.499 49 residues pruned to eliminate duplicates Z: 51 52.488 2.044 0.876 0.716 1.000 0.680 CB 1.591 51 residues pruned to eliminate duplicates Z: 10 11.510 1.764 0.390 0.777 1.000 0.333 CA 1.225 10 residues pruned to eliminate duplicates Z: 33 32.271 2.017 0.598 0.676 0.938 0.750 CB 1.605 33 residues pruned to eliminate duplicates Z: 48 48.835 2.076 0.894 0.712 0.957 0.638 CB 1.562 48 residues pruned to eliminate duplicates Z: 49 47.770 2.077 0.770 0.703 0.979 0.750 CB 1.593 49 residues pruned to eliminate duplicates Z: 33 35.175 2.025 0.683 0.671 0.969 0.781 CB 1.609 33 residues pruned to eliminate duplicates Z: 34 39.672 2.024 0.743 0.727 1.000 0.727 CB 1.596 34 residues pruned to eliminate duplicates Z: 49 47.966 2.076 0.796 0.705 0.979 0.729 CB 1.574 49 residues pruned to eliminate duplicates Z: 50 51.060 2.050 0.814 0.737 0.980 0.796 CA 1.619 50 residues pruned to eliminate duplicates Z: 35 35.106 1.963 0.657 0.698 0.971 0.794 CB 1.592 35 residues pruned to eliminate duplicates Z: 19 29.508 1.887 0.696 0.929 1.000 0.944 CA 1.520 19 residues pruned to eliminate duplicates Z: 35 31.336 1.964 0.671 0.680 0.941 0.618 CB 1.474 35 residues pruned to eliminate duplicates Z: 50 47.305 2.085 0.774 0.678 0.980 0.673 CB 1.583 50 residues pruned to eliminate duplicates Z: 50 47.732 2.048 0.813 0.713 0.980 0.755 CB 1.545 50 residues pruned to eliminate duplicates Z: 48 48.535 2.087 0.820 0.703 0.979 0.681 CB 1.582 48 residues pruned to eliminate duplicates Z: 49 51.780 2.080 0.807 0.731 1.000 0.562 CB 1.615 49 residues pruned to eliminate duplicates Z: 49 51.349 2.059 0.925 0.732 0.979 0.708 CB 1.550 49 residues pruned to eliminate duplicates Z: 50 50.934 2.058 0.942 0.722 1.000 0.571 CB 1.490 50 residues pruned to eliminate duplicates Z: 50 51.947 2.061 0.849 0.722 1.000 0.653 CB 1.594 50 residues pruned to eliminate duplicates Z: 49 49.433 2.056 0.886 0.717 0.958 0.688 CB 1.578 49 residues pruned to eliminate duplicates Z: 37 34.806 1.979 0.713 0.688 0.972 0.694 CB 1.482 37 residues pruned to eliminate duplicates Z: 48 49.174 2.099 0.774 0.717 0.979 0.723 CB 1.617 48 residues pruned to eliminate duplicates Z: 72 71.634 2.242 1.085 0.732 0.958 0.408 CB 1.541 72 residues pruned to eliminate duplicates Z: 78 68.989 2.192 0.998 0.737 0.948 0.532 CB 1.531 78 residues pruned to eliminate duplicates Z: 71 76.942 2.255 1.083 0.765 0.986 0.529 CB 1.571 71 residues pruned to eliminate duplicates Z: 74 77.454 2.214 1.061 0.748 0.973 0.589 CB 1.637 74 residues pruned to eliminate duplicates Z: 13 18.229 1.974 0.732 0.553 1.000 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 18 18.064 1.845 0.756 0.713 0.941 0.647 CB 1.184 18 residues pruned to eliminate duplicates Z: 21 17.988 1.790 0.603 0.597 1.000 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 80 75.687 2.220 1.032 0.743 0.924 0.532 CB 1.644 80 residues pruned to eliminate duplicates Z: 20 18.257 1.852 0.670 0.659 0.947 0.579 CB 1.233 20 residues pruned to eliminate duplicates Z: 18 20.072 1.851 0.700 0.768 1.000 0.706 CB 1.220 18 residues pruned to eliminate duplicates Z: 77 80.158 2.258 1.058 0.777 0.921 0.671 CB 1.682 77 residues pruned to eliminate duplicates Z: 42 34.948 1.937 0.791 0.675 0.902 0.756 CA 1.483 42 residues pruned to eliminate duplicates Z: 118 85.825 2.210 0.898 0.706 0.957 0.590 CB 1.639 118 residues pruned to eliminate duplicates Z: 104 73.084 2.155 0.830 0.702 0.942 0.612 CB 1.614 104 residues pruned to eliminate duplicates Z: 103 83.501 2.189 0.953 0.736 0.931 0.618 CB 1.679 103 residues pruned to eliminate duplicates Z: 29 25.420 1.919 0.648 0.649 0.929 0.786 CA 1.424 29 residues pruned to eliminate duplicates Z: 39 36.647 2.117 0.610 0.644 0.974 0.763 CA 1.566 39 residues pruned to eliminate duplicates Z: 24 26.890 2.005 0.801 0.687 0.913 0.696 CA 1.433 24 residues pruned to eliminate duplicates Z: 117 73.545 2.159 0.840 0.694 0.922 0.603 CB 1.560 117 residues pruned to eliminate duplicates Z: 116 79.322 2.194 0.874 0.706 0.939 0.591 CB 1.589 116 residues pruned to eliminate duplicates Z: 117 79.604 2.202 0.898 0.703 0.905 0.586 CB 1.625 117 residues pruned to eliminate duplicates Z: 42 26.903 1.978 0.393 0.603 0.927 0.683 CA 1.491 42 residues pruned to eliminate duplicates Z: 41 33.352 2.096 0.564 0.613 0.925 0.800 CA 1.562 41 residues pruned to eliminate duplicates Z: 26 24.642 1.937 0.607 0.678 0.880 0.720 CA 1.527 26 residues pruned to eliminate duplicates Z: 42 28.366 1.878 0.669 0.631 0.902 0.634 CB 1.384 42 residues pruned to eliminate duplicates Z: 41 31.069 2.075 0.504 0.628 0.900 0.725 CA 1.551 41 residues pruned to eliminate duplicates Z: 40 37.217 2.119 0.579 0.632 0.974 0.744 CA 1.615 40 residues pruned to eliminate duplicates Z: 40 37.846 2.122 0.616 0.626 0.974 0.718 CA 1.611 40 residues pruned to eliminate duplicates Z: 25 28.425 1.991 0.747 0.700 0.917 0.750 CA 1.517 25 residues pruned to eliminate duplicates Z: 41 35.260 2.056 0.632 0.636 0.925 0.650 CA 1.582 41 residues pruned to eliminate duplicates Z: 42 33.165 2.055 0.513 0.608 0.951 0.707 CA 1.581 42 residues pruned to eliminate duplicates Z: 24 39.483 2.050 0.979 0.738 1.000 0.696 CA 1.639 24 residues pruned to eliminate duplicates Z: 26 31.653 1.984 0.792 0.712 0.960 0.520 CA 1.530 26 residues pruned to eliminate duplicates Z: 41 33.762 2.057 0.651 0.597 0.925 0.725 CA 1.550 41 residues pruned to eliminate duplicates Z: 42 36.557 2.045 0.646 0.618 0.951 0.659 CA 1.594 42 residues pruned to eliminate duplicates Z: 44 35.321 2.042 0.589 0.614 0.953 0.605 CA 1.562 44 residues pruned to eliminate duplicates Z: 41 36.644 2.086 0.608 0.638 0.950 0.800 CA 1.598 41 residues pruned to eliminate duplicates Z: 41 37.639 2.074 0.666 0.623 0.975 0.675 CA 1.572 41 residues pruned to eliminate duplicates Z: 41 42.238 2.106 0.811 0.653 0.925 0.750 CB 1.641 60 residues pruned to eliminate duplicates Z: 7 8.907 1.832 0.607 0.354 1.000 0.500 CA 1.446 7 residues pruned to eliminate duplicates Z: 9 9.283 2.075 0.771 0.326 0.875 0.625 CB 1.235 9 residues pruned to eliminate duplicates Z: 41 40.556 2.105 0.719 0.639 0.950 0.750 CA 1.639 41 residues pruned to eliminate duplicates Z: 41 39.107 2.089 0.745 0.632 0.950 0.800 CB 1.577 41 residues pruned to eliminate duplicates Z: 25 20.137 2.034 0.578 0.485 0.875 0.542 CB 1.485 17 residues pruned to eliminate duplicates Z: 9 15.705 2.360 0.141 0.834 1.000 0.750 CA 1.545 9 residues pruned to eliminate duplicates Z: 17 20.053 2.235 0.408 0.535 0.938 0.812 CA 1.642 17 residues pruned to eliminate duplicates Z: 18 14.483 2.127 0.331 0.482 0.882 0.647 CB 1.432 18 residues pruned to eliminate duplicates Z: 42 37.393 2.054 0.741 0.617 0.927 0.561 CB 1.578 42 residues pruned to eliminate duplicates Z: 41 38.979 2.079 0.751 0.600 0.950 0.625 CA 1.621 41 residues pruned to eliminate duplicates Z: 18 17.271 2.135 0.447 0.527 0.941 0.647 CB 1.403 18 residues pruned to eliminate duplicates Z: 19 18.014 1.818 0.488 0.711 1.000 0.778 CB 1.296 20 residues pruned to eliminate duplicates Z: 14 13.127 1.757 0.126 0.895 1.000 0.846 CA 1.318 14 residues pruned to eliminate duplicates Z: 19 17.795 1.829 0.581 0.661 0.944 0.500 CB 1.323 19 residues pruned to eliminate duplicates Z: 19 16.182 1.812 0.386 0.699 1.000 0.833 CB 1.266 19 residues pruned to eliminate duplicates Z: 20 13.395 1.796 0.352 0.658 0.895 0.632 CB 1.222 20 residues pruned to eliminate duplicates Z: 19 14.482 1.806 0.390 0.649 1.000 0.667 CB 1.183 19 residues pruned to eliminate duplicates Z: 20 12.558 1.779 0.326 0.683 0.895 0.579 CB 1.154 20 residues pruned to eliminate duplicates Z: 19 16.223 1.832 0.553 0.698 0.889 0.778 CB 1.262 19 residues pruned to eliminate duplicates Z: 19 17.310 1.836 0.578 0.683 0.944 0.722 CB 1.260 19 residues pruned to eliminate duplicates Z: 19 17.741 1.829 0.613 0.664 0.944 0.722 CB 1.289 19 residues pruned to eliminate duplicates Z: 19 15.206 1.802 0.494 0.692 0.944 0.722 CB 1.182 19 residues pruned to eliminate duplicates Z: 14 19.579 1.906 0.753 0.626 1.000 0.615 CB 1.444 14 residues pruned to eliminate duplicates Z: 19 18.423 1.814 0.691 0.725 0.944 0.556 CB 1.224 19 residues pruned to eliminate duplicates Z: 15 18.012 1.869 0.620 0.756 1.000 0.500 CB 1.266 15 residues pruned to eliminate duplicates Z: 6 3.745 1.519 0.583 0.421 0.600 0.400 N 1.260 6 residues pruned to eliminate duplicates Z: 40 40.120 2.140 0.922 0.662 0.897 0.564 CB 1.498 40 residues pruned to eliminate duplicates Z: 39 37.724 2.139 0.773 0.690 0.921 0.526 CB 1.471 39 residues pruned to eliminate duplicates Z: 39 39.137 2.147 0.813 0.695 0.895 0.553 CB 1.526 39 residues pruned to eliminate duplicates Z: 39 35.651 2.137 0.722 0.682 0.868 0.553 CB 1.531 39 residues pruned to eliminate duplicates Z: 87 74.436 2.264 0.972 0.709 0.930 0.605 CB 1.599 87 residues pruned to eliminate duplicates Z: 39 40.309 2.134 0.883 0.664 0.921 0.474 CA 1.517 39 residues pruned to eliminate duplicates Z: 38 44.294 2.172 0.889 0.715 0.946 0.514 CB 1.545 38 residues pruned to eliminate duplicates Z: 41 42.119 2.077 0.816 0.683 0.975 0.500 CB 1.531 41 residues pruned to eliminate duplicates Z: 39 38.406 2.138 0.875 0.679 0.868 0.605 CB 1.517 39 residues pruned to eliminate duplicates Z: 102 85.828 2.254 1.009 0.723 0.931 0.604 CB 1.657 102 residues pruned to eliminate duplicates Z: 39 41.934 2.166 0.863 0.698 0.921 0.605 CB 1.527 39 residues pruned to eliminate duplicates Z: 110 84.060 2.207 0.980 0.696 0.936 0.624 CB 1.646 110 residues pruned to eliminate duplicates Z: 40 41.091 2.137 0.870 0.669 0.949 0.564 CB 1.485 40 residues pruned to eliminate duplicates Z: 30 38.231 2.108 1.007 0.657 1.000 0.655 CB 1.450 30 residues pruned to eliminate duplicates Z: 41 41.843 2.097 1.005 0.655 0.925 0.575 CB 1.473 41 residues pruned to eliminate duplicates Z: 40 43.073 2.116 0.965 0.681 0.949 0.564 CB 1.480 40 residues pruned to eliminate duplicates Z: 30 37.539 2.102 1.069 0.663 0.931 0.552 CA 1.480 30 residues pruned to eliminate duplicates Z: 39 42.021 2.138 0.903 0.700 0.947 0.474 CB 1.473 39 residues pruned to eliminate duplicates Z: 30 35.361 2.096 1.020 0.640 0.931 0.414 CB 1.462 30 residues pruned to eliminate duplicates Z: 39 42.497 2.124 0.928 0.690 0.921 0.526 CB 1.535 39 residues pruned to eliminate duplicates Z: 30 36.274 2.140 1.031 0.694 0.966 0.690 CB 1.345 30 residues pruned to eliminate duplicates Z: 47 25.842 2.015 0.700 0.562 0.804 0.435 CB 1.302 47 residues pruned to eliminate duplicates Z: 12 14.636 2.020 0.517 0.610 0.818 0.636 CB 1.586 12 residues pruned to eliminate duplicates Z: 12 17.902 2.003 0.784 0.664 0.818 0.545 CA 1.586 12 residues pruned to eliminate duplicates Z: 39 45.417 2.137 0.983 0.746 0.947 0.579 CB 1.474 39 residues pruned to eliminate duplicates Z: 39 44.214 2.145 0.934 0.696 0.947 0.526 CB 1.526 39 residues pruned to eliminate duplicates Z: 129 88.535 2.210 0.888 0.704 0.938 0.656 CB 1.661 129 residues pruned to eliminate duplicates Z: 131 84.089 2.166 0.917 0.678 0.938 0.608 CB 1.606 131 residues pruned to eliminate duplicates Z: 11 19.176 2.144 0.729 0.718 0.800 0.700 CA 1.678 11 residues pruned to eliminate duplicates Z: 40 39.483 2.108 1.056 0.656 0.897 0.538 CB 1.406 40 residues pruned to eliminate duplicates Z: 101 87.428 2.264 1.040 0.728 0.940 0.680 CB 1.639 101 residues pruned to eliminate duplicates Z: 118 74.973 2.152 0.848 0.660 0.923 0.675 CB 1.627 118 residues pruned to eliminate duplicates Z: 47 71.527 2.384 1.187 0.777 0.935 0.739 CB 1.694 47 residues pruned to eliminate duplicates Z: 115 81.063 2.202 0.829 0.686 0.939 0.728 CB 1.693 115 residues pruned to eliminate duplicates Z: 78 73.498 2.242 0.916 0.741 0.961 0.688 CB 1.635 78 residues pruned to eliminate duplicates Z: 49 66.476 2.338 0.979 0.771 0.958 0.667 CB 1.703 49 residues pruned to eliminate duplicates Z: 87 70.754 2.262 0.859 0.720 0.884 0.698 CB 1.683 87 residues pruned to eliminate duplicates Z: 77 80.195 2.294 0.949 0.740 0.987 0.684 CB 1.681 77 residues pruned to eliminate duplicates Z: 77 80.025 2.265 1.066 0.769 0.947 0.711 CB 1.632 77 residues pruned to eliminate duplicates Z: 64 78.276 2.337 1.061 0.770 0.952 0.730 CB 1.693 64 residues pruned to eliminate duplicates Z: 101 73.869 2.202 0.927 0.696 0.920 0.680 CB 1.582 101 residues pruned to eliminate duplicates Z: 76 83.295 2.309 1.037 0.727 0.973 0.720 CB 1.712 76 residues pruned to eliminate duplicates Z: 49 65.667 2.304 1.048 0.781 0.938 0.729 CA 1.672 49 residues pruned to eliminate duplicates Z: 64 79.714 2.328 1.012 0.760 0.968 0.635 CB 1.757 64 residues pruned to eliminate duplicates Z: 65 65.300 2.232 0.977 0.694 0.906 0.656 CA 1.710 65 residues pruned to eliminate duplicates Z: 61 80.120 2.348 1.041 0.779 0.950 0.700 CB 1.776 61 residues pruned to eliminate duplicates Z: 120 79.337 2.200 0.836 0.678 0.941 0.681 CB 1.624 120 residues pruned to eliminate duplicates Z: 63 78.926 2.327 1.032 0.760 0.968 0.629 CB 1.738 63 residues pruned to eliminate duplicates Z: 46 76.302 2.393 1.166 0.803 0.978 0.733 CB 1.723 46 residues pruned to eliminate duplicates Z: 79 74.818 2.289 0.935 0.687 0.949 0.603 CB 1.698 79 residues pruned to eliminate duplicates Z: 78 76.812 2.262 1.039 0.751 0.909 0.662 CB 1.669 78 residues pruned to eliminate duplicates Z: 102 74.093 2.163 0.839 0.700 0.941 0.683 CB 1.643 102 residues pruned to eliminate duplicates Z: 48 65.750 2.361 1.087 0.767 0.915 0.681 CB 1.679 48 residues pruned to eliminate duplicates Z: 86 75.290 2.253 1.070 0.721 0.918 0.588 CB 1.563 86 residues pruned to eliminate duplicates Z: 50 66.289 2.315 1.053 0.754 0.939 0.653 CB 1.693 50 residues pruned to eliminate duplicates Z: 68 71.498 2.294 0.987 0.710 0.940 0.657 CB 1.685 68 residues pruned to eliminate duplicates Z: 49 60.651 2.341 1.084 0.745 0.896 0.562 CB 1.608 49 residues pruned to eliminate duplicates Z: 78 70.843 2.241 0.883 0.693 0.935 0.623 CB 1.715 78 residues pruned to eliminate duplicates Z: 117 86.924 2.217 0.909 0.696 0.948 0.681 CB 1.680 117 residues pruned to eliminate duplicates Z: 72 71.165 2.252 1.050 0.693 0.930 0.549 CB 1.650 72 residues pruned to eliminate duplicates Z: 67 74.028 2.302 1.008 0.741 0.924 0.621 CB 1.719 67 residues pruned to eliminate duplicates Z: 78 80.456 2.258 1.047 0.766 0.935 0.649 CB 1.675 78 residues pruned to eliminate duplicates Z: 157 86.831 2.174 0.866 0.685 0.929 0.532 CB 1.556 157 residues pruned to eliminate duplicates Z: 66 78.779 2.292 1.100 0.738 0.938 0.554 CB 1.748 66 residues pruned to eliminate duplicates Z: 76 74.860 2.310 0.926 0.733 0.933 0.613 CB 1.688 76 residues pruned to eliminate duplicates Z: 51 62.701 2.290 1.050 0.729 0.940 0.680 CB 1.634 51 residues pruned to eliminate duplicates Z: 66 78.701 2.298 1.120 0.738 0.923 0.569 CB 1.752 66 residues pruned to eliminate duplicates Z: 101 75.449 2.183 0.840 0.727 0.940 0.630 CB 1.629 101 residues pruned to eliminate duplicates Z: 49 63.098 2.283 1.062 0.785 0.979 0.500 CB 1.538 49 residues pruned to eliminate duplicates Z: 61 85.077 2.378 1.114 0.787 0.967 0.683 CB 1.756 61 residues pruned to eliminate duplicates Z: 77 76.579 2.273 1.060 0.764 0.921 0.500 CB 1.612 77 residues pruned to eliminate duplicates Z: 64 79.808 2.305 1.182 0.763 0.968 0.476 CB 1.634 64 residues pruned to eliminate duplicates Z: 51 67.270 2.317 1.088 0.755 0.960 0.600 CB 1.633 51 residues pruned to eliminate duplicates Z: 79 78.038 2.246 1.073 0.750 0.962 0.538 CB 1.579 79 residues pruned to eliminate duplicates Z: 74 78.560 2.243 1.068 0.744 0.945 0.562 CB 1.685 74 residues pruned to eliminate duplicates Z: 78 76.487 2.291 0.951 0.723 0.948 0.610 CB 1.682 78 residues pruned to eliminate duplicates Z: 61 76.413 2.322 1.186 0.785 0.933 0.433 CB 1.620 61 residues pruned to eliminate duplicates Z: 63 76.992 2.315 1.099 0.761 0.952 0.565 CB 1.677 63 residues pruned to eliminate duplicates Z: 91 77.763 2.276 0.988 0.694 0.944 0.511 CB 1.606 91 residues pruned to eliminate duplicates Z: 67 71.321 2.282 1.121 0.714 0.909 0.424 CB 1.643 67 residues pruned to eliminate duplicates Z: 77 78.365 2.268 1.022 0.750 0.947 0.645 CB 1.655 77 residues pruned to eliminate duplicates Z: 63 83.574 2.340 1.146 0.760 0.968 0.452 CB 1.733 63 residues pruned to eliminate duplicates Z: 73 79.004 2.305 1.100 0.731 0.931 0.500 CB 1.679 73 residues pruned to eliminate duplicates Z: 66 71.686 2.291 1.069 0.726 0.923 0.523 CB 1.658 66 residues pruned to eliminate duplicates Z: 64 75.950 2.299 1.127 0.752 0.952 0.524 CB 1.641 64 residues pruned to eliminate duplicates Z: 68 68.278 2.246 1.041 0.727 0.925 0.478 CB 1.603 68 residues pruned to eliminate duplicates Z: 62 79.420 2.339 1.137 0.802 0.951 0.508 CB 1.643 62 residues pruned to eliminate duplicates Z: 76 77.280 2.261 1.032 0.759 0.947 0.467 CB 1.630 76 residues pruned to eliminate duplicates Z: 63 79.636 2.320 1.108 0.778 0.952 0.548 CB 1.700 63 residues pruned to eliminate duplicates Z: 63 77.816 2.319 1.121 0.776 0.935 0.452 CB 1.683 63 residues pruned to eliminate duplicates Z: 79 75.878 2.259 0.968 0.727 0.923 0.513 CB 1.707 79 residues pruned to eliminate duplicates Z: 63 79.544 2.328 1.202 0.768 0.952 0.468 CB 1.633 63 residues pruned to eliminate duplicates Z: 18 14.384 2.069 0.565 0.271 0.941 0.353 CB 1.485 18 residues pruned to eliminate duplicates Z: 28 24.572 2.153 0.564 0.471 0.926 0.593 CB 1.562 28 residues pruned to eliminate duplicates Z: 17 14.368 2.127 0.527 0.267 0.938 0.375 CB 1.537 17 residues pruned to eliminate duplicates Z: 92 47.665 2.138 0.498 0.563 0.934 0.637 CB 1.571 92 residues pruned to eliminate duplicates Z: 18 12.460 2.071 0.446 0.288 0.882 0.529 CB 1.451 18 residues pruned to eliminate duplicates Z: 29 24.873 2.178 0.607 0.460 0.893 0.464 CB 1.567 29 residues pruned to eliminate duplicates Z: 18 14.049 2.073 0.564 0.287 0.882 0.529 CB 1.513 18 residues pruned to eliminate duplicates Z: 29 24.075 2.178 0.609 0.453 0.893 0.536 CB 1.525 29 residues pruned to eliminate duplicates Z: 93 48.784 2.125 0.588 0.532 0.957 0.609 CB 1.526 93 residues pruned to eliminate duplicates Z: 23 16.862 2.122 0.466 0.297 0.955 0.364 CB 1.519 22 residues pruned to eliminate duplicates Z: 7 9.495 1.982 0.328 0.551 1.000 0.667 CB 1.401 7 residues pruned to eliminate duplicates Z: 28 25.959 2.167 0.695 0.462 0.926 0.481 CB 1.527 28 residues pruned to eliminate duplicates Z: 6 10.034 1.724 1.017 0.728 1.000 0.800 CB 1.051 6 residues pruned to eliminate duplicates Z: 21 19.020 2.109 0.636 0.460 0.850 0.550 CB 1.510 21 residues pruned to eliminate duplicates Z: 18 14.695 2.067 0.558 0.291 0.941 0.588 CB 1.487 18 residues pruned to eliminate duplicates Z: 29 27.699 2.165 0.621 0.465 0.964 0.536 CB 1.603 29 residues pruned to eliminate duplicates Z: 12 25.196 2.332 0.757 0.733 0.909 0.455 CB 1.655 12 residues pruned to eliminate duplicates Z: 34 26.336 2.160 0.703 0.470 0.879 0.515 CB 1.461 34 residues pruned to eliminate duplicates Z: 22 22.242 2.312 0.421 0.500 0.857 0.714 CA 1.723 22 residues pruned to eliminate duplicates Z: 22 23.392 2.219 0.593 0.550 0.905 0.571 CB 1.520 22 residues pruned to eliminate duplicates Z: 28 23.807 2.166 0.550 0.453 0.926 0.630 CB 1.548 28 residues pruned to eliminate duplicates Z: 27 23.780 2.170 0.636 0.481 0.885 0.577 CB 1.514 27 residues pruned to eliminate duplicates Z: 69 43.152 2.246 0.635 0.497 0.882 0.485 CB 1.620 69 residues pruned to eliminate duplicates Z: 36 26.449 2.233 0.556 0.406 0.886 0.571 CB 1.603 36 residues pruned to eliminate duplicates Z: 67 46.844 2.275 0.690 0.498 0.909 0.545 CB 1.652 67 residues pruned to eliminate duplicates Z: 92 47.315 2.150 0.513 0.545 0.923 0.626 CB 1.582 92 residues pruned to eliminate duplicates Z: 53 40.904 2.240 0.649 0.535 0.904 0.654 CB 1.641 53 residues pruned to eliminate duplicates Z: 91 50.834 2.150 0.617 0.546 0.933 0.600 CB 1.579 91 residues pruned to eliminate duplicates Z: 37 26.242 2.199 0.458 0.396 0.944 0.528 CB 1.612 37 residues pruned to eliminate duplicates Z: 41 24.689 2.210 0.409 0.392 0.900 0.500 CB 1.561 41 residues pruned to eliminate duplicates Z: 6 5.344 1.813 0.178 0.471 0.800 0.600 CB 1.442 6 residues pruned to eliminate duplicates Z: 68 44.692 2.252 0.591 0.493 0.910 0.597 CB 1.685 68 residues pruned to eliminate duplicates Z: 78 42.175 2.182 0.631 0.445 0.896 0.506 CB 1.595 78 residues pruned to eliminate duplicates Z: 52 37.232 2.217 0.690 0.539 0.824 0.627 CB 1.626 52 residues pruned to eliminate duplicates Z: 69 40.867 2.211 0.650 0.470 0.868 0.544 CB 1.614 69 residues pruned to eliminate duplicates Z: 69 40.081 2.245 0.516 0.483 0.897 0.471 CB 1.620 69 residues pruned to eliminate duplicates Z: 54 41.402 2.110 0.556 0.641 0.962 0.698 CB 1.578 54 residues pruned to eliminate duplicates Z: 51 37.746 2.251 0.605 0.504 0.880 0.500 CB 1.672 51 residues pruned to eliminate duplicates Z: 76 45.054 2.119 0.551 0.607 0.920 0.573 CB 1.554 74 residues pruned to eliminate duplicates Z: 15 41.121 2.253 1.011 0.923 1.000 0.786 N 1.704 15 residues pruned to eliminate duplicates Z: 23 33.684 2.293 0.800 0.607 0.909 0.636 CB 1.729 23 residues pruned to eliminate duplicates Z: 32 32.221 2.246 0.715 0.576 0.839 0.613 CB 1.664 32 residues pruned to eliminate duplicates Z: 52 35.910 2.129 0.544 0.639 0.882 0.686 CB 1.523 52 residues pruned to eliminate duplicates Z: 76 45.480 2.141 0.551 0.587 0.907 0.560 CB 1.605 76 residues pruned to eliminate duplicates Z: 84 46.297 2.172 0.566 0.549 0.880 0.602 CB 1.620 84 residues pruned to eliminate duplicates Z: 59 39.962 2.213 0.650 0.441 0.914 0.414 CB 1.671 59 residues pruned to eliminate duplicates Z: 15 47.444 2.267 1.259 0.924 1.000 0.857 N 1.738 15 residues pruned to eliminate duplicates Z: 79 43.488 2.176 0.541 0.547 0.885 0.628 CB 1.585 79 residues pruned to eliminate duplicates Z: 56 42.176 2.084 0.667 0.652 0.909 0.564 CB 1.563 56 residues pruned to eliminate duplicates Z: 35 37.329 2.257 0.785 0.568 0.882 0.588 CB 1.686 35 residues pruned to eliminate duplicates Z: 90 45.880 2.149 0.589 0.545 0.865 0.584 CB 1.574 90 residues pruned to eliminate duplicates Z: 32 31.353 2.071 0.844 0.627 0.839 0.516 CB 1.560 32 residues pruned to eliminate duplicates Z: 51 41.568 2.077 0.723 0.665 0.900 0.680 CB 1.567 51 residues pruned to eliminate duplicates Z: 60 36.246 2.199 0.660 0.444 0.864 0.492 CB 1.585 60 residues pruned to eliminate duplicates Z: 92 50.110 2.157 0.630 0.544 0.890 0.604 CB 1.608 92 residues pruned to eliminate duplicates Z: 12 10.242 1.877 0.723 0.580 0.727 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 52 39.713 2.287 0.709 0.558 0.804 0.588 CB 1.672 52 residues pruned to eliminate duplicates Z: 94 49.834 2.115 0.648 0.548 0.925 0.581 CB 1.530 94 residues pruned to eliminate duplicates Z: 86 44.505 2.134 0.558 0.571 0.882 0.612 CB 1.537 86 residues pruned to eliminate duplicates Z: 70 45.395 2.198 0.862 0.512 0.870 0.551 CB 1.516 70 residues pruned to eliminate duplicates Z: 35 29.528 1.961 0.570 0.674 0.941 0.706 CB 1.489 35 residues pruned to eliminate duplicates Z: 6 12.960 2.119 0.606 0.682 1.000 0.200 CB 1.441 6 residues pruned to eliminate duplicates Z: 75 48.536 2.159 0.686 0.597 0.878 0.689 CB 1.609 75 residues pruned to eliminate duplicates Z: 74 51.950 2.176 0.640 0.625 0.932 0.699 CB 1.626 74 residues pruned to eliminate duplicates Z: 46 43.044 2.100 0.710 0.670 0.956 0.622 CB 1.599 46 residues pruned to eliminate duplicates Z: 91 49.983 2.163 0.607 0.557 0.911 0.600 CB 1.574 91 residues pruned to eliminate duplicates Z: 92 46.866 2.128 0.565 0.543 0.901 0.626 CB 1.570 92 residues pruned to eliminate duplicates Z: 84 51.988 2.207 0.708 0.523 0.928 0.578 CB 1.595 84 residues pruned to eliminate duplicates Z: 85 47.526 2.190 0.614 0.533 0.893 0.607 CB 1.591 85 residues pruned to eliminate duplicates Z: 54 36.984 2.070 0.691 0.596 0.887 0.585 CB 1.494 54 residues pruned to eliminate duplicates Z: 91 48.169 2.146 0.634 0.549 0.878 0.656 CB 1.573 91 residues pruned to eliminate duplicates Z: 38 24.632 1.879 0.435 0.653 0.946 0.676 CB 1.377 38 residues pruned to eliminate duplicates Z: 54 48.355 2.112 0.867 0.681 0.925 0.679 CB 1.544 55 residues pruned to eliminate duplicates Z: 15 16.244 1.772 0.506 0.905 0.929 0.786 CB 1.247 15 residues pruned to eliminate duplicates Z: 85 51.895 2.155 0.767 0.586 0.893 0.571 CB 1.534 85 residues pruned to eliminate duplicates Z: 35 33.037 1.945 0.693 0.720 0.971 0.706 CB 1.452 34 residues pruned to eliminate duplicates Z: 21 18.635 1.771 0.529 0.834 0.900 0.700 CB 1.281 21 residues pruned to eliminate duplicates Z: 50 44.154 2.106 0.798 0.643 0.959 0.571 CB 1.519 50 residues pruned to eliminate duplicates Z: 74 47.777 2.110 0.726 0.608 0.877 0.548 CB 1.580 74 residues pruned to eliminate duplicates Z: 25 21.509 1.831 0.539 0.712 0.958 0.750 CB 1.341 25 residues pruned to eliminate duplicates Z: 91 54.325 2.151 0.724 0.555 0.933 0.633 CB 1.569 91 residues pruned to eliminate duplicates Z: 92 52.619 2.154 0.679 0.559 0.912 0.593 CB 1.578 92 residues pruned to eliminate duplicates Z: 21 21.850 1.721 0.581 0.913 0.950 0.800 CB 1.337 21 residues pruned to eliminate duplicates Z: 92 46.623 2.109 0.666 0.506 0.901 0.571 CB 1.535 92 residues pruned to eliminate duplicates Z: 93 53.111 2.125 0.705 0.554 0.924 0.630 CB 1.570 93 residues pruned to eliminate duplicates Z: 11 19.686 1.757 0.646 0.891 1.000 0.700 CB 1.547 11 residues pruned to eliminate duplicates Z: 12 14.322 1.730 0.327 0.927 0.909 0.545 CA 1.450 12 residues pruned to eliminate duplicates Z: 12 14.706 1.721 0.274 0.933 1.000 0.636 CA 1.411 12 residues pruned to eliminate duplicates Z: 12 14.877 1.726 0.346 0.902 0.909 0.455 CA 1.516 12 residues pruned to eliminate duplicates Z: 13 14.678 1.693 0.404 0.821 0.917 0.417 CB 1.472 13 residues pruned to eliminate duplicates Z: 13 11.508 1.692 0.347 0.788 0.833 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 22 15.825 1.839 0.279 0.636 0.905 0.571 CB 1.429 22 residues pruned to eliminate duplicates Z: 14 12.715 1.568 0.296 0.767 1.000 0.692 CB 1.369 14 residues pruned to eliminate duplicates Z: 21 16.320 1.815 0.286 0.663 1.000 0.700 CB 1.344 21 residues pruned to eliminate duplicates Z: 11 12.857 1.753 0.263 0.888 0.900 0.500 CB 1.470 11 residues pruned to eliminate duplicates Z: 13 12.352 1.684 0.294 0.843 0.833 0.583 CB 1.463 13 residues pruned to eliminate duplicates Z: 33 14.253 1.766 0.312 0.528 0.875 0.594 CB 1.210 33 residues pruned to eliminate duplicates Z: 34 17.683 1.888 0.423 0.601 0.818 0.455 CB 1.272 34 residues pruned to eliminate duplicates Z: 22 17.558 1.836 0.280 0.706 1.000 0.667 CB 1.352 22 residues pruned to eliminate duplicates Z: 6 3.785 1.670 0.165 0.395 0.800 0.600 CB 1.215 6 residues pruned to eliminate duplicates Z: 12 9.165 1.851 0.438 0.491 0.909 0.818 CB 1.152 12 residues pruned to eliminate duplicates Z: 6 4.656 2.050 0.615 0.438 0.600 0.400 CB 1.118 6 residues pruned to eliminate duplicates Z: 29 23.042 1.988 0.659 0.609 0.821 0.464 CB 1.449 29 residues pruned to eliminate duplicates Z: 14 11.641 2.163 0.578 0.601 0.615 0.231 CA 1.396 14 residues pruned to eliminate duplicates Z: 10 15.515 1.919 0.962 0.632 0.889 0.333 CA 1.365 10 residues pruned to eliminate duplicates Z: 32 21.967 1.906 0.486 0.633 0.935 0.548 CB 1.315 32 residues pruned to eliminate duplicates Z: 22 14.065 1.963 0.641 0.661 0.667 0.476 CB 1.231 22 residues pruned to eliminate duplicates Z: 8 10.695 2.086 0.700 0.656 0.714 0.286 CA 1.381 8 residues pruned to eliminate duplicates Z: 12 7.789 2.001 0.556 0.586 0.636 0.182 CA 1.092 12 residues pruned to eliminate duplicates Z: 20 19.865 2.046 0.588 0.550 0.895 0.474 CB 1.493 20 residues pruned to eliminate duplicates Z: 29 22.227 1.989 0.698 0.636 0.821 0.429 CB 1.333 29 residues pruned to eliminate duplicates Z: 33 20.849 2.042 0.560 0.591 0.812 0.531 CB 1.305 33 residues pruned to eliminate duplicates Z: 46 25.359 1.932 0.536 0.625 0.822 0.600 CB 1.378 46 residues pruned to eliminate duplicates Z: 32 23.604 2.012 0.649 0.619 0.871 0.484 CB 1.311 32 residues pruned to eliminate duplicates Z: 13 9.662 1.833 0.837 0.553 0.833 0.583 CB 0.944 13 residues pruned to eliminate duplicates Z: 29 19.860 2.019 0.647 0.589 0.750 0.571 CB 1.383 29 residues pruned to eliminate duplicates Z: 21 15.602 1.899 0.828 0.522 0.850 0.650 CB 1.156 21 residues pruned to eliminate duplicates Z: 30 24.653 1.945 0.774 0.622 0.966 0.621 CB 1.224 30 residues pruned to eliminate duplicates Z: 15 15.236 1.909 0.833 0.663 1.000 0.857 CB 1.001 15 residues pruned to eliminate duplicates Z: 14 19.645 2.010 0.892 0.733 1.000 0.923 CB 1.162 14 residues pruned to eliminate duplicates Z: 16 15.823 1.885 0.862 0.621 0.867 0.733 CB 1.199 16 residues pruned to eliminate duplicates Z: 14 17.837 1.996 0.841 0.707 0.923 0.846 CB 1.209 14 residues pruned to eliminate duplicates Z: 26 23.830 1.922 1.013 0.566 1.000 0.680 CB 1.155 26 residues pruned to eliminate duplicates Z: 43 29.205 2.093 0.839 0.408 0.905 0.619 CB 1.425 43 residues pruned to eliminate duplicates Z: 34 29.381 2.045 0.911 0.560 0.909 0.636 CB 1.357 34 residues pruned to eliminate duplicates Z: 26 20.810 1.929 0.739 0.495 1.000 0.640 CB 1.247 26 residues pruned to eliminate duplicates Z: 28 21.539 1.950 0.867 0.439 0.889 0.444 CB 1.364 28 residues pruned to eliminate duplicates Z: 78 42.207 2.115 0.686 0.551 0.909 0.623 CB 1.411 78 residues pruned to eliminate duplicates Z: 32 17.390 1.891 0.805 0.459 0.774 0.484 CB 1.232 32 residues pruned to eliminate duplicates Z: 123 61.001 2.120 0.758 0.614 0.943 0.607 CB 1.412 123 residues pruned to eliminate duplicates Z: 95 44.824 2.008 0.705 0.559 0.904 0.606 CB 1.410 95 residues pruned to eliminate duplicates Z: 48 35.410 2.133 0.833 0.527 0.872 0.532 CB 1.475 48 residues pruned to eliminate duplicates Z: 46 31.308 2.125 0.839 0.542 0.867 0.578 CB 1.323 46 residues pruned to eliminate duplicates Z: 70 42.927 2.131 0.795 0.515 0.928 0.609 CB 1.435 70 residues pruned to eliminate duplicates Z: 49 29.718 2.063 0.828 0.453 0.917 0.458 CB 1.303 49 residues pruned to eliminate duplicates Z: 75 46.019 2.150 0.733 0.558 0.919 0.554 CB 1.477 75 residues pruned to eliminate duplicates Z: 87 45.510 2.118 0.681 0.535 0.907 0.651 CB 1.469 87 residues pruned to eliminate duplicates Z: 27 25.658 2.249 0.832 0.493 0.846 0.538 CB 1.453 27 residues pruned to eliminate duplicates Z: 92 40.009 2.076 0.757 0.508 0.857 0.505 CB 1.330 92 residues pruned to eliminate duplicates Z: 45 29.396 2.172 0.728 0.463 0.909 0.455 CB 1.349 45 residues pruned to eliminate duplicates Z: 69 44.457 2.174 0.752 0.554 0.941 0.574 CB 1.427 69 residues pruned to eliminate duplicates Z: 28 25.220 2.243 0.719 0.469 0.926 0.444 CB 1.402 28 residues pruned to eliminate duplicates Z: 66 33.198 2.109 0.713 0.438 0.877 0.446 CB 1.385 66 residues pruned to eliminate duplicates Z: 74 37.244 2.131 0.696 0.521 0.877 0.603 CB 1.348 74 residues pruned to eliminate duplicates Z: 87 48.240 2.162 0.660 0.540 0.930 0.605 CB 1.498 87 residues pruned to eliminate duplicates Z: 72 45.081 2.154 0.792 0.574 0.915 0.634 CB 1.410 72 residues pruned to eliminate duplicates Z: 75 39.963 2.032 0.746 0.547 0.932 0.514 CB 1.341 75 residues pruned to eliminate duplicates Z: 73 42.964 2.100 0.798 0.488 0.944 0.542 CB 1.438 73 residues pruned to eliminate duplicates Z: 77 43.542 2.138 0.720 0.550 0.947 0.632 CB 1.366 77 residues pruned to eliminate duplicates Z: 69 41.147 2.166 0.713 0.530 0.912 0.574 CB 1.431 69 residues pruned to eliminate duplicates Z: 72 44.330 2.130 0.749 0.558 0.958 0.577 CB 1.393 72 residues pruned to eliminate duplicates Z: 27 28.001 2.216 0.852 0.462 0.923 0.615 CB 1.507 27 residues pruned to eliminate duplicates Z: 70 37.927 2.133 0.730 0.553 0.870 0.623 CB 1.351 70 residues pruned to eliminate duplicates Z: 43 35.337 2.244 0.787 0.471 0.929 0.571 CB 1.508 43 residues pruned to eliminate duplicates Z: 68 37.511 2.113 0.726 0.496 0.940 0.642 CB 1.341 68 residues pruned to eliminate duplicates Z: 85 51.144 2.165 0.808 0.536 0.917 0.560 CB 1.501 85 residues pruned to eliminate duplicates Z: 113 69.734 2.168 0.848 0.657 0.955 0.598 CB 1.487 113 residues pruned to eliminate duplicates Z: 60 33.754 2.121 0.803 0.442 0.881 0.458 CB 1.385 60 residues pruned to eliminate duplicates Z: 42 31.983 2.168 0.748 0.454 0.951 0.561 CB 1.453 42 residues pruned to eliminate duplicates Z: 65 39.887 2.167 0.733 0.469 0.953 0.594 CB 1.437 65 residues pruned to eliminate duplicates Z: 116 67.689 2.155 0.833 0.632 0.957 0.643 CB 1.475 116 residues pruned to eliminate duplicates Z: 76 44.971 2.136 0.706 0.554 0.947 0.653 CB 1.428 76 residues pruned to eliminate duplicates Z: 90 55.489 2.159 0.826 0.594 0.955 0.596 CB 1.427 90 residues pruned to eliminate duplicates Z: 119 67.349 2.145 0.872 0.645 0.924 0.669 CB 1.460 119 residues pruned to eliminate duplicates Z: 51 46.469 2.257 0.813 0.597 0.980 0.680 CB 1.495 51 residues pruned to eliminate duplicates Z: 58 47.280 2.100 0.878 0.697 0.912 0.684 CB 1.455 58 residues pruned to eliminate duplicates Z: 54 40.775 2.108 0.924 0.624 0.925 0.585 CB 1.329 54 residues pruned to eliminate duplicates Z: 46 33.806 2.046 0.796 0.592 0.933 0.644 CB 1.346 46 residues pruned to eliminate duplicates Z: 90 58.562 2.100 0.808 0.722 0.933 0.640 CB 1.434 90 residues pruned to eliminate duplicates Z: 42 35.945 2.235 0.870 0.427 0.951 0.512 CB 1.523 42 residues pruned to eliminate duplicates Z: 44 31.162 1.997 0.711 0.608 0.930 0.605 CB 1.349 44 residues pruned to eliminate duplicates Z: 41 33.770 2.071 0.794 0.640 0.900 0.675 CB 1.401 41 residues pruned to eliminate duplicates Z: 24 32.491 2.075 0.943 0.746 0.957 0.696 CB 1.410 24 residues pruned to eliminate duplicates Z: 59 46.774 2.133 0.849 0.681 0.948 0.621 CB 1.391 59 residues pruned to eliminate duplicates Z: 40 38.467 2.082 0.822 0.677 0.923 0.641 CB 1.494 40 residues pruned to eliminate duplicates Z: 24 34.391 2.108 0.876 0.774 0.957 0.609 CB 1.487 24 residues pruned to eliminate duplicates Z: 86 54.569 2.182 0.818 0.576 0.953 0.694 CB 1.455 86 residues pruned to eliminate duplicates Z: 40 33.477 2.084 0.768 0.671 0.897 0.564 CB 1.385 40 residues pruned to eliminate duplicates Z: 84 65.527 2.110 0.939 0.743 0.916 0.651 CB 1.544 84 residues pruned to eliminate duplicates Z: 32 32.286 2.058 0.855 0.713 0.903 0.710 CB 1.386 32 residues pruned to eliminate duplicates Z: 79 55.065 2.111 0.872 0.700 0.910 0.705 CB 1.445 79 residues pruned to eliminate duplicates Z: 38 37.531 2.087 0.930 0.678 0.919 0.622 CB 1.416 38 residues pruned to eliminate duplicates Z: 57 52.784 2.149 0.973 0.676 0.946 0.643 CB 1.495 57 residues pruned to eliminate duplicates Z: 41 35.358 2.088 0.886 0.662 0.900 0.625 CB 1.357 41 residues pruned to eliminate duplicates Z: 41 35.914 2.051 0.907 0.694 0.900 0.625 CB 1.352 41 residues pruned to eliminate duplicates Z: 40 36.233 2.028 0.956 0.675 0.923 0.615 CB 1.349 40 residues pruned to eliminate duplicates Z: 38 40.303 2.084 0.936 0.724 0.946 0.784 CB 1.418 38 residues pruned to eliminate duplicates Z: 63 52.410 2.199 0.883 0.572 0.968 0.581 CB 1.550 63 residues pruned to eliminate duplicates Z: 13 12.818 1.960 0.629 0.535 0.833 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 31 33.322 2.097 0.795 0.608 0.933 0.600 CA 1.564 31 residues pruned to eliminate duplicates Z: 40 31.619 2.032 0.684 0.641 0.897 0.692 CB 1.445 40 residues pruned to eliminate duplicates Z: 14 11.531 1.866 0.439 0.457 1.000 0.462 CA 1.244 14 residues pruned to eliminate duplicates Z: 16 11.053 1.899 0.504 0.420 0.800 0.467 CA 1.358 16 residues pruned to eliminate duplicates Z: 51 52.081 2.170 0.844 0.778 0.920 0.700 CB 1.565 51 residues pruned to eliminate duplicates Z: 52 53.877 2.140 0.820 0.777 0.980 0.706 CA 1.548 52 residues pruned to eliminate duplicates Z: 34 30.584 2.070 0.781 0.584 0.879 0.636 CB 1.517 34 residues pruned to eliminate duplicates Z: 85 59.270 2.202 0.895 0.594 0.952 0.595 CB 1.487 85 residues pruned to eliminate duplicates Z: 89 59.941 2.081 0.824 0.715 0.977 0.625 CB 1.418 89 residues pruned to eliminate duplicates Z: 69 50.410 2.039 0.815 0.709 0.941 0.662 CB 1.452 69 residues pruned to eliminate duplicates Z: 52 47.301 2.041 0.908 0.740 0.922 0.647 CB 1.489 52 residues pruned to eliminate duplicates Z: 20 30.971 2.134 1.002 0.642 0.947 0.632 CB 1.537 20 residues pruned to eliminate duplicates Z: 18 32.831 2.165 1.115 0.766 0.882 0.647 CB 1.557 18 residues pruned to eliminate duplicates Z: 54 46.534 2.130 0.839 0.720 0.906 0.642 CB 1.477 54 residues pruned to eliminate duplicates Z: 38 53.509 2.232 0.964 0.795 0.973 0.703 CA 1.592 38 residues pruned to eliminate duplicates Z: 19 30.531 2.272 1.023 0.678 0.889 0.556 CB 1.495 19 residues pruned to eliminate duplicates Z: 89 57.153 2.070 0.842 0.701 0.920 0.648 CB 1.445 89 residues pruned to eliminate duplicates Z: 61 41.679 2.035 0.729 0.652 0.900 0.617 CB 1.475 61 residues pruned to eliminate duplicates Z: 42 49.311 2.173 0.924 0.785 0.927 0.512 CB 1.546 42 residues pruned to eliminate duplicates Z: 20 30.054 2.123 1.080 0.641 0.895 0.526 CB 1.529 20 residues pruned to eliminate duplicates Z: 31 31.294 2.123 0.814 0.624 0.933 0.433 CB 1.413 31 residues pruned to eliminate duplicates Z: 97 58.831 2.067 0.868 0.682 0.938 0.646 CB 1.403 97 residues pruned to eliminate duplicates Z: 61 52.620 2.103 0.848 0.714 0.950 0.583 CA 1.517 61 residues pruned to eliminate duplicates Z: 40 39.567 1.988 0.831 0.764 0.949 0.667 CB 1.451 40 residues pruned to eliminate duplicates Z: 40 55.941 2.194 0.966 0.818 1.000 0.538 CB 1.576 40 residues pruned to eliminate duplicates Z: 30 38.958 2.085 0.890 0.812 0.931 0.690 CB 1.503 30 residues pruned to eliminate duplicates Z: 63 53.648 2.015 0.956 0.752 0.919 0.565 CB 1.502 63 residues pruned to eliminate duplicates Z: 48 51.214 2.095 0.941 0.782 0.936 0.617 CB 1.530 48 residues pruned to eliminate duplicates Z: 81 63.937 2.124 0.954 0.768 0.938 0.650 CB 1.449 81 residues pruned to eliminate duplicates Z: 56 38.471 1.977 0.751 0.630 0.909 0.600 CB 1.459 56 residues pruned to eliminate duplicates Z: 45 51.082 2.151 0.860 0.835 0.955 0.841 CA 1.510 45 residues pruned to eliminate duplicates Z: 46 48.770 2.133 0.832 0.792 0.956 0.667 CB 1.508 46 residues pruned to eliminate duplicates Z: 32 37.031 1.988 0.778 0.816 0.968 0.677 CB 1.478 32 residues pruned to eliminate duplicates Z: 37 39.769 1.999 0.884 0.767 0.972 0.472 CB 1.429 37 residues pruned to eliminate duplicates Z: 47 48.469 2.136 0.944 0.767 0.935 0.522 CB 1.452 47 residues pruned to eliminate duplicates Z: 24 38.322 2.110 0.932 0.830 0.957 0.478 CB 1.541 24 residues pruned to eliminate duplicates Z: 61 50.736 2.000 0.930 0.709 0.967 0.550 CB 1.452 61 residues pruned to eliminate duplicates Z: 17 37.735 2.109 1.176 0.929 0.938 0.625 CB 1.535 17 residues pruned to eliminate duplicates Z: 31 40.087 2.117 1.020 0.771 0.900 0.633 CB 1.497 31 residues pruned to eliminate duplicates Z: 47 51.937 2.151 0.858 0.797 0.978 0.478 CB 1.510 47 residues pruned to eliminate duplicates Z: 62 53.018 2.076 0.947 0.738 0.951 0.557 CB 1.427 62 residues pruned to eliminate duplicates Z: 29 37.188 2.090 0.913 0.811 0.893 0.679 CB 1.501 29 residues pruned to eliminate duplicates Z: 28 41.804 2.087 0.887 0.843 0.963 0.667 CB 1.580 28 residues pruned to eliminate duplicates Z: 67 48.253 2.029 0.769 0.692 0.955 0.485 CB 1.456 67 residues pruned to eliminate duplicates Z: 28 42.778 2.103 0.949 0.821 0.963 0.444 CA 1.579 28 residues pruned to eliminate duplicates Z: 33 34.139 2.002 0.739 0.773 0.938 0.438 CB 1.452 33 residues pruned to eliminate duplicates Z: 64 32.528 1.865 0.737 0.619 0.873 0.476 CB 1.295 64 residues pruned to eliminate duplicates Z: 29 43.335 2.070 0.964 0.884 0.929 0.536 CB 1.567 29 residues pruned to eliminate duplicates Z: 34 33.282 2.025 0.818 0.731 0.909 0.424 CB 1.406 34 residues pruned to eliminate duplicates Z: 45 60.318 2.165 1.098 0.811 0.977 0.545 CB 1.562 45 residues pruned to eliminate duplicates Z: 37 34.950 1.954 0.854 0.730 0.944 0.278 CB 1.385 37 residues pruned to eliminate duplicates Z: 71 48.050 1.995 0.815 0.707 0.914 0.500 CB 1.438 71 residues pruned to eliminate duplicates Z: 57 43.524 2.003 0.851 0.678 0.911 0.500 CB 1.462 57 residues pruned to eliminate duplicates Z: 44 41.728 1.913 0.944 0.727 0.953 0.349 CB 1.463 44 residues pruned to eliminate duplicates Z: 54 42.330 2.053 0.932 0.710 0.830 0.415 CB 1.460 54 residues pruned to eliminate duplicates Z: 52 45.732 2.069 0.966 0.724 0.882 0.333 CB 1.457 52 residues pruned to eliminate duplicates Z: 15 13.594 1.629 0.718 0.710 0.929 0.571 CB 1.155 15 residues pruned to eliminate duplicates Z: 19 10.906 1.616 0.352 0.723 0.889 0.667 CB 1.083 19 residues pruned to eliminate duplicates Z: 17 12.509 1.635 0.601 0.667 0.875 0.625 CB 1.170 17 residues pruned to eliminate duplicates Z: 14 12.996 1.648 0.713 0.748 0.846 0.538 CB 1.209 14 residues pruned to eliminate duplicates Z: 20 16.213 1.642 0.595 0.720 0.947 0.632 CB 1.228 20 residues pruned to eliminate duplicates Z: 20 15.591 1.636 0.667 0.711 0.947 0.579 CB 1.144 20 residues pruned to eliminate duplicates Z: 14 11.985 1.633 0.619 0.630 0.923 0.538 CB 1.205 14 residues pruned to eliminate duplicates Z: 13 12.789 1.541 0.612 0.766 1.000 0.583 CB 1.175 13 residues pruned to eliminate duplicates Z: 16 12.760 1.570 0.773 0.581 0.933 0.667 CB 1.172 16 residues pruned to eliminate duplicates Z: 63 54.371 2.009 0.956 0.761 0.952 0.516 CB 1.464 63 residues pruned to eliminate duplicates Z: 99 59.070 2.027 0.934 0.713 0.918 0.541 CB 1.366 99 residues pruned to eliminate duplicates Z: 73 47.409 1.957 0.887 0.683 0.944 0.431 CB 1.354 73 residues pruned to eliminate duplicates Z: 16 9.591 1.539 0.654 0.503 0.867 0.267 CB 1.119 16 residues pruned to eliminate duplicates Z: 18 17.401 1.666 0.731 0.748 1.000 0.529 CB 1.172 18 residues pruned to eliminate duplicates Z: 112 78.336 2.203 0.915 0.668 0.955 0.649 CB 1.580 112 residues pruned to eliminate duplicates Z: 52 30.030 2.027 0.716 0.506 0.902 0.588 CB 1.332 52 residues pruned to eliminate duplicates Z: 8 5.496 1.825 0.317 0.239 1.000 0.286 CB 1.170 Z: 6 5.656 1.668 0.434 0.390 1.000 0.800 CB 1.189 6 residues pruned to eliminate duplicates Z: 18 7.141 1.740 0.539 0.225 0.882 0.471 CB 1.011 8 residues pruned to eliminate duplicates Z: 6 5.355 1.577 0.398 0.445 1.000 0.200 CA 1.149 6 residues pruned to eliminate duplicates 626 residues left after pruning, divided into chains as follows: A: 11 B: 29 C: 57 D: 207 E: 19 F: 92 G: 193 H: 18 CC for partial structure against native data = 42.10 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.479, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.542, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.650, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.658, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.668, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.673, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.678, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.680, Connect. = 0.805 for dens.mod. cycle 8 = 0.300, Contrast = 0.682, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 0.684, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3432 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 853 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 20.218 2.280 0.769 0.856 0.900 0.200 CB 1.299 B: 12 17.849 2.149 0.972 0.810 0.818 0.545 CB 1.185 11 residues pruned to eliminate duplicates C: 12 15.937 2.118 0.710 0.804 0.727 0.273 CB 1.399 12 residues pruned to eliminate duplicates D: 27 61.639 2.442 0.946 0.928 0.962 0.692 CA 1.853 E: 45 78.380 2.355 0.993 0.862 0.977 0.773 CA 1.892 27 residues pruned to eliminate duplicates F: 26 59.064 2.479 0.858 0.936 0.960 0.880 CA 1.861 26 residues pruned to eliminate duplicates G: 27 67.462 2.417 1.155 0.942 0.962 0.308 CB 1.832 27 residues pruned to eliminate duplicates H: 43 65.565 2.280 1.020 0.812 0.952 0.524 CB 1.758 43 residues pruned to eliminate duplicates I: 30 56.424 2.308 0.902 0.882 1.000 0.862 CB 1.728 30 residues pruned to eliminate duplicates J: 28 58.292 2.391 1.002 0.906 0.963 0.407 CB 1.731 28 residues pruned to eliminate duplicates K: 15 31.316 2.235 0.913 0.925 0.929 0.500 CB 1.480 L: 29 63.059 2.335 1.187 0.897 0.929 0.750 CB 1.799 29 residues pruned to eliminate duplicates M: 14 49.350 2.330 1.157 0.946 1.000 0.846 CB 1.883 N: 15 39.654 2.267 1.038 0.938 0.929 0.857 N 1.717 15 residues pruned to eliminate duplicates O: 13 36.300 2.316 0.692 0.912 1.000 0.917 CB 1.893 13 residues pruned to eliminate duplicates P: 40 36.102 2.139 0.693 0.668 0.897 0.590 CB 1.523 Q: 15 46.557 2.270 1.094 0.937 1.000 0.857 CA 1.821 15 residues pruned to eliminate duplicates R: 45 73.231 2.323 1.029 0.842 0.955 0.455 CB 1.827 46 residues pruned to eliminate duplicates S: 26 26.835 2.033 0.748 0.752 0.840 0.520 CB 1.436 26 residues pruned to eliminate duplicates T: 16 26.889 2.142 0.522 0.914 1.000 0.867 CA 1.505 16 residues pruned to eliminate duplicates U: 15 33.098 2.092 0.826 0.932 1.000 0.929 N 1.617 V: 27 59.485 2.403 1.161 0.862 0.923 0.615 CB 1.787 27 residues pruned to eliminate duplicates W: 11 15.384 1.788 0.678 0.818 1.000 0.700 CA 1.230 X: 15 41.474 2.262 0.948 0.904 1.000 0.786 CB 1.791 15 residues pruned to eliminate duplicates Y: 14 40.829 2.403 0.690 0.933 1.000 0.923 CA 1.946 14 residues pruned to eliminate duplicates Z: 10 14.691 2.159 0.165 0.810 1.000 0.778 CA 1.487 Z: 29 69.885 2.377 1.108 0.921 1.000 0.786 CA 1.854 28 residues pruned to eliminate duplicates Z: 28 60.982 2.380 0.958 0.924 1.000 0.778 CA 1.769 28 residues pruned to eliminate duplicates Z: 14 49.677 2.348 1.188 0.936 1.000 1.000 CA 1.867 14 residues pruned to eliminate duplicates Z: 20 12.545 2.043 0.464 0.417 0.737 0.474 CB 1.424 Z: 16 27.434 2.251 0.892 0.872 1.000 0.667 CB 1.212 Z: 18 37.690 2.130 1.002 0.801 0.941 0.471 CA 1.751 18 residues pruned to eliminate duplicates Z: 11 24.506 2.083 0.591 0.916 1.000 0.900 N 1.652 20 residues pruned to eliminate duplicates Z: 29 65.166 2.359 1.080 0.938 1.000 0.750 CA 1.745 29 residues pruned to eliminate duplicates Z: 15 41.923 2.325 1.477 0.914 1.000 0.714 CB 1.375 16 residues pruned to eliminate duplicates Z: 15 35.099 2.234 0.712 0.935 0.929 0.929 CB 1.840 15 residues pruned to eliminate duplicates Z: 18 31.089 1.941 1.060 0.863 0.941 0.647 CA 1.470 16 residues pruned to eliminate duplicates Z: 16 27.236 2.049 0.879 0.926 0.867 0.667 CA 1.478 Z: 46 66.287 2.302 1.019 0.831 0.911 0.444 CB 1.753 46 residues pruned to eliminate duplicates Z: 28 67.474 2.408 1.090 0.934 1.000 0.741 CA 1.799 28 residues pruned to eliminate duplicates Z: 16 34.616 2.160 0.998 0.903 0.933 0.667 CB 1.582 18 residues pruned to eliminate duplicates Z: 46 68.206 2.310 1.024 0.821 0.933 0.733 CB 1.764 46 residues pruned to eliminate duplicates Z: 14 35.822 2.365 0.576 0.915 1.000 0.846 N 1.884 14 residues pruned to eliminate duplicates Z: 15 31.566 2.127 0.788 0.913 1.000 0.929 CA 1.570 15 residues pruned to eliminate duplicates Z: 12 22.375 1.932 0.832 0.874 0.909 0.545 CB 1.526 12 residues pruned to eliminate duplicates Z: 16 33.573 1.998 0.958 0.939 1.000 0.533 CA 1.539 16 residues pruned to eliminate duplicates Z: 17 39.888 2.228 0.949 0.770 0.938 0.438 CA 1.929 17 residues pruned to eliminate duplicates Z: 12 23.317 2.053 0.893 0.872 1.000 1.000 CB 1.318 Z: 11 12.390 1.741 0.353 0.828 0.900 0.500 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 22.629 2.091 0.708 0.910 0.900 0.800 CA 1.579 11 residues pruned to eliminate duplicates Z: 17 38.876 2.235 0.806 0.807 1.000 0.875 CA 1.843 17 residues pruned to eliminate duplicates Z: 45 78.020 2.339 1.055 0.852 0.955 0.614 CB 1.897 45 residues pruned to eliminate duplicates Z: 10 16.421 1.889 0.535 0.891 1.000 0.667 CA 1.358 Z: 11 19.775 2.196 0.452 0.875 0.900 0.800 CB 1.585 11 residues pruned to eliminate duplicates Z: 9 12.136 1.916 0.776 0.816 0.750 0.500 CA 1.278 Z: 18 41.531 2.201 0.927 0.800 1.000 0.706 CB 1.827 18 residues pruned to eliminate duplicates Z: 14 37.999 2.317 1.165 0.875 1.000 0.615 CB 1.529 14 residues pruned to eliminate duplicates Z: 46 67.796 2.303 1.028 0.840 0.889 0.689 CB 1.817 46 residues pruned to eliminate duplicates Z: 6 14.804 2.221 0.489 0.720 1.000 1.000 CA 1.641 6 residues pruned to eliminate duplicates Z: 47 64.949 2.274 0.933 0.832 0.913 0.696 CB 1.792 47 residues pruned to eliminate duplicates Z: 8 10.460 1.742 0.323 0.828 1.000 0.857 CB 1.292 Z: 25 35.493 2.027 0.744 0.924 1.000 0.708 CA 1.439 Z: 30 56.073 2.313 0.982 0.895 0.931 0.655 CB 1.749 30 residues pruned to eliminate duplicates Z: 38 37.629 2.132 0.763 0.713 0.919 0.757 CB 1.477 40 residues pruned to eliminate duplicates Z: 10 13.013 1.780 0.536 0.768 0.889 0.667 CA 1.408 10 residues pruned to eliminate duplicates Z: 12 21.151 2.082 0.673 0.822 1.000 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 32 34.678 2.012 0.675 0.880 0.935 0.903 CA 1.432 24 residues pruned to eliminate duplicates Z: 16 23.738 2.045 0.634 0.874 0.933 0.867 CA 1.431 16 residues pruned to eliminate duplicates Z: 15 29.162 2.085 0.824 0.919 1.000 1.000 CA 1.444 15 residues pruned to eliminate duplicates Z: 10 20.675 1.988 0.506 0.867 1.000 0.889 CB 1.684 10 residues pruned to eliminate duplicates Z: 27 37.731 2.065 0.692 0.932 0.962 0.731 CA 1.539 27 residues pruned to eliminate duplicates Z: 18 34.856 2.141 0.847 0.814 0.941 0.765 CA 1.728 18 residues pruned to eliminate duplicates Z: 17 25.147 1.991 0.739 0.856 0.938 0.688 CA 1.428 16 residues pruned to eliminate duplicates Z: 29 52.697 2.365 1.061 0.908 0.857 0.679 CB 1.693 29 residues pruned to eliminate duplicates Z: 30 34.331 1.979 0.655 0.890 0.966 0.621 CA 1.450 30 residues pruned to eliminate duplicates Z: 46 68.449 2.278 1.002 0.830 0.933 0.600 CB 1.802 46 residues pruned to eliminate duplicates Z: 40 34.589 2.118 0.775 0.671 0.872 0.692 CB 1.442 38 residues pruned to eliminate duplicates Z: 10 27.437 2.238 0.680 0.901 1.000 0.889 CB 1.736 10 residues pruned to eliminate duplicates Z: 22 21.507 2.001 0.959 0.637 0.905 0.619 CB 1.164 13 residues pruned to eliminate duplicates Z: 46 66.781 2.303 0.927 0.827 0.933 0.622 CA 1.811 46 residues pruned to eliminate duplicates Z: 82 57.439 2.088 0.845 0.711 0.938 0.630 CB 1.458 85 residues pruned to eliminate duplicates Z: 19 34.139 2.116 0.804 0.775 0.944 0.667 CB 1.751 19 residues pruned to eliminate duplicates Z: 15 34.457 2.270 1.033 0.897 0.929 0.786 CB 1.538 15 residues pruned to eliminate duplicates Z: 7 8.997 2.025 0.585 0.671 0.833 0.667 N 1.173 Z: 24 21.183 1.888 0.320 0.697 1.000 0.696 CB 1.481 Z: 45 65.816 2.299 0.900 0.842 0.932 0.545 CB 1.817 45 residues pruned to eliminate duplicates Z: 45 69.865 2.322 0.977 0.819 0.932 0.545 CA 1.867 45 residues pruned to eliminate duplicates Z: 14 45.907 2.383 0.953 0.933 1.000 0.615 CA 1.909 14 residues pruned to eliminate duplicates Z: 14 41.944 2.388 0.836 0.946 1.000 0.846 CA 1.835 14 residues pruned to eliminate duplicates Z: 12 21.244 2.060 0.763 0.907 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 7 17.678 2.236 0.659 0.841 1.000 0.667 CA 1.451 8 residues pruned to eliminate duplicates Z: 17 25.979 1.990 0.827 0.885 1.000 0.812 CB 1.290 17 residues pruned to eliminate duplicates Z: 12 14.960 2.030 0.615 0.816 0.818 0.636 CB 1.278 12 residues pruned to eliminate duplicates Z: 16 32.831 2.169 0.862 0.921 1.000 0.733 CA 1.477 16 residues pruned to eliminate duplicates Z: 14 44.636 2.363 0.895 0.931 1.000 0.923 CB 1.932 14 residues pruned to eliminate duplicates Z: 12 11.478 1.718 0.303 0.711 1.000 0.545 CA 1.277 Z: 9 17.555 2.334 0.353 0.801 1.000 0.750 CA 1.511 9 residues pruned to eliminate duplicates Z: 15 30.238 2.076 0.690 0.909 1.000 0.929 CA 1.635 15 residues pruned to eliminate duplicates Z: 17 45.811 2.238 1.095 0.776 1.000 0.688 CA 1.915 17 residues pruned to eliminate duplicates Z: 11 12.863 1.771 0.717 0.792 0.800 0.500 CA 1.295 11 residues pruned to eliminate duplicates Z: 11 14.585 1.847 0.600 0.875 0.800 0.800 CA 1.419 Z: 16 32.904 2.001 1.084 0.837 1.000 0.733 CA 1.523 16 residues pruned to eliminate duplicates Z: 17 35.198 1.966 1.263 0.827 0.938 0.875 CB 1.590 17 residues pruned to eliminate duplicates Z: 15 31.885 2.134 0.829 0.903 1.000 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 13 17.848 1.996 0.649 0.792 0.917 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 11 26.245 2.241 0.974 0.913 0.900 0.700 CB 1.476 11 residues pruned to eliminate duplicates Z: 10 17.344 2.193 0.308 0.871 0.889 0.778 CB 1.654 10 residues pruned to eliminate duplicates Z: 19 34.504 2.113 0.926 0.802 0.889 0.556 CA 1.726 19 residues pruned to eliminate duplicates Z: 17 31.771 2.164 1.076 0.909 1.000 0.812 CB 1.255 Z: 15 25.554 2.184 0.818 0.888 1.000 0.786 CB 1.239 15 residues pruned to eliminate duplicates Z: 18 36.357 2.145 0.911 0.760 0.941 0.824 CA 1.814 18 residues pruned to eliminate duplicates Z: 13 13.143 1.710 0.332 0.856 1.000 0.750 CA 1.228 Z: 10 19.614 1.948 0.599 0.878 1.000 0.778 CB 1.523 10 residues pruned to eliminate duplicates Z: 14 22.891 1.822 0.902 0.899 1.000 0.923 CA 1.310 Z: 10 14.416 1.902 0.384 0.825 1.000 0.778 CB 1.378 11 residues pruned to eliminate duplicates Z: 6 6.848 1.512 0.610 0.717 1.000 0.800 CA 1.034 Z: 15 31.075 2.263 0.890 0.896 1.000 0.714 CB 1.391 15 residues pruned to eliminate duplicates Z: 12 20.717 2.003 0.590 0.821 1.000 0.818 CB 1.485 12 residues pruned to eliminate duplicates Z: 15 31.818 2.169 1.222 0.909 0.857 0.714 CB 1.460 15 residues pruned to eliminate duplicates Z: 16 30.013 2.192 1.147 0.923 0.933 0.667 CB 1.240 16 residues pruned to eliminate duplicates Z: 17 23.425 1.938 0.898 0.906 1.000 0.688 CB 1.132 17 residues pruned to eliminate duplicates Z: 38 36.946 2.130 0.770 0.690 0.919 0.595 CB 1.473 38 residues pruned to eliminate duplicates Z: 8 12.674 2.032 0.173 0.832 1.000 0.857 CB 1.509 10 residues pruned to eliminate duplicates Z: 17 30.775 2.075 0.863 0.935 1.000 0.938 CA 1.386 17 residues pruned to eliminate duplicates Z: 17 23.761 1.998 0.516 0.935 1.000 1.000 CA 1.367 17 residues pruned to eliminate duplicates Z: 14 21.847 1.827 0.695 0.886 1.000 0.769 CB 1.411 14 residues pruned to eliminate duplicates Z: 17 28.958 2.108 1.202 0.935 0.938 0.750 CB 1.160 17 residues pruned to eliminate duplicates Z: 19 33.579 1.972 0.777 0.935 1.000 0.667 CB 1.574 Z: 14 40.809 2.315 0.957 0.921 1.000 0.923 CB 1.758 14 residues pruned to eliminate duplicates Z: 25 15.096 1.964 0.418 0.492 0.792 0.375 CB 1.408 12 residues pruned to eliminate duplicates Z: 31 34.402 2.017 0.684 0.865 0.933 0.733 CA 1.451 31 residues pruned to eliminate duplicates Z: 15 31.323 2.217 0.806 0.942 1.000 0.857 CA 1.449 15 residues pruned to eliminate duplicates Z: 16 31.964 2.155 0.922 0.905 0.933 0.733 CA 1.519 16 residues pruned to eliminate duplicates Z: 62 30.431 2.099 0.610 0.416 0.852 0.492 CB 1.477 57 residues pruned to eliminate duplicates Z: 10 19.832 2.212 0.277 0.911 1.000 1.000 CB 1.659 10 residues pruned to eliminate duplicates Z: 28 44.874 2.079 0.914 0.935 1.000 0.852 CA 1.513 28 residues pruned to eliminate duplicates Z: 24 16.940 1.871 0.339 0.609 0.870 0.609 CB 1.462 24 residues pruned to eliminate duplicates Z: 25 32.438 2.089 0.655 0.953 0.917 0.875 CA 1.438 25 residues pruned to eliminate duplicates Z: 13 20.444 1.881 0.672 0.924 1.000 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 10 8.831 2.019 -0.078 0.745 0.889 0.556 CB 1.429 10 residues pruned to eliminate duplicates Z: 22 24.082 1.780 0.513 0.874 0.952 0.762 CB 1.492 22 residues pruned to eliminate duplicates Z: 16 35.741 2.069 1.047 0.945 1.000 0.867 CA 1.508 16 residues pruned to eliminate duplicates Z: 40 33.750 2.141 0.666 0.645 0.897 0.692 CB 1.474 50 residues pruned to eliminate duplicates Z: 14 23.488 1.817 0.913 0.888 1.000 0.923 CA 1.349 14 residues pruned to eliminate duplicates Z: 19 32.726 2.035 0.871 0.798 0.944 0.778 CA 1.653 19 residues pruned to eliminate duplicates Z: 63 39.830 2.044 0.614 0.630 0.903 0.677 CB 1.503 46 residues pruned to eliminate duplicates Z: 6 2.724 1.895 0.119 0.291 0.800 0.800 CB 0.907 Z: 21 26.114 1.861 0.476 0.913 1.000 0.850 CB 1.505 19 residues pruned to eliminate duplicates Z: 99 88.529 2.296 0.966 0.737 0.959 0.684 CB 1.669 94 residues pruned to eliminate duplicates Z: 19 24.777 1.953 0.398 0.917 1.000 0.833 CB 1.510 19 residues pruned to eliminate duplicates Z: 22 32.519 2.033 0.787 0.900 1.000 0.714 CA 1.395 26 residues pruned to eliminate duplicates Z: 8 13.249 2.096 0.685 0.788 0.714 0.286 CB 1.541 8 residues pruned to eliminate duplicates Z: 20 23.547 1.844 0.427 0.871 1.000 0.842 CB 1.496 20 residues pruned to eliminate duplicates Z: 27 35.335 2.012 0.647 0.921 0.962 0.577 CA 1.531 27 residues pruned to eliminate duplicates Z: 86 38.267 2.110 0.640 0.509 0.859 0.576 CB 1.384 86 residues pruned to eliminate duplicates Z: 10 17.527 1.965 0.659 0.811 0.889 0.667 CA 1.538 Z: 20 24.600 1.762 0.644 0.905 1.000 0.737 CB 1.387 Z: 10 22.287 2.055 0.728 0.905 1.000 0.889 CB 1.489 10 residues pruned to eliminate duplicates Z: 14 14.358 1.705 0.733 0.784 1.000 0.692 CA 1.050 12 residues pruned to eliminate duplicates Z: 6 11.222 2.241 0.143 0.745 1.000 0.800 CA 1.573 6 residues pruned to eliminate duplicates Z: 13 15.328 1.753 0.439 0.907 1.000 0.833 CB 1.247 Z: 29 38.719 2.029 0.825 0.940 0.964 0.857 CA 1.424 28 residues pruned to eliminate duplicates Z: 16 38.315 2.144 1.029 0.907 1.000 0.467 CB 1.616 16 residues pruned to eliminate duplicates Z: 21 26.422 1.833 0.561 0.925 1.000 0.850 CB 1.450 21 residues pruned to eliminate duplicates Z: 10 15.963 2.118 0.418 0.827 0.889 0.889 CB 1.502 10 residues pruned to eliminate duplicates Z: 28 37.748 2.017 0.711 0.914 1.000 0.889 CA 1.488 28 residues pruned to eliminate duplicates Z: 10 14.905 1.888 0.440 0.870 1.000 0.889 N 1.334 10 residues pruned to eliminate duplicates Z: 20 22.075 1.870 0.288 0.910 0.947 0.895 CB 1.574 20 residues pruned to eliminate duplicates Z: 26 35.403 2.067 0.712 0.939 0.960 0.840 CA 1.448 26 residues pruned to eliminate duplicates Z: 12 10.255 1.992 0.225 0.526 0.909 0.818 CB 1.358 12 residues pruned to eliminate duplicates Z: 17 27.208 2.159 0.713 0.896 1.000 0.750 CB 1.318 17 residues pruned to eliminate duplicates Z: 9 12.229 1.852 0.932 0.616 0.875 0.625 CB 1.237 9 residues pruned to eliminate duplicates Z: 11 18.746 1.811 0.733 0.876 1.000 0.500 CB 1.373 Z: 12 15.369 1.898 0.760 0.787 1.000 0.727 CB 1.078 Z: 46 70.733 2.299 1.123 0.841 0.911 0.556 CB 1.768 46 residues pruned to eliminate duplicates Z: 6 3.815 1.736 0.130 0.611 0.800 0.600 CB 0.978 6 residues pruned to eliminate duplicates Z: 14 16.483 1.751 0.456 0.909 1.000 0.692 CB 1.273 14 residues pruned to eliminate duplicates Z: 14 37.156 2.217 1.286 0.887 1.000 0.692 CB 1.466 14 residues pruned to eliminate duplicates Z: 13 16.035 1.948 0.498 0.766 0.917 0.667 CB 1.367 13 residues pruned to eliminate duplicates Z: 13 38.298 2.366 1.261 0.869 1.000 0.833 CB 1.510 13 residues pruned to eliminate duplicates Z: 16 19.818 1.946 0.826 0.895 1.000 0.800 CB 1.033 16 residues pruned to eliminate duplicates Z: 19 26.563 1.921 0.664 0.911 0.944 0.722 CB 1.469 20 residues pruned to eliminate duplicates Z: 16 28.010 2.050 0.921 0.940 1.000 0.933 CB 1.275 16 residues pruned to eliminate duplicates Z: 27 34.966 2.047 0.668 0.925 1.000 0.808 CA 1.409 27 residues pruned to eliminate duplicates Z: 14 34.653 2.374 1.087 0.887 1.000 0.846 CB 1.398 14 residues pruned to eliminate duplicates Z: 34 65.212 2.298 1.195 0.827 0.939 0.485 CB 1.805 34 residues pruned to eliminate duplicates Z: 11 20.424 2.035 0.724 0.773 1.000 0.800 CB 1.445 12 residues pruned to eliminate duplicates Z: 7 9.230 1.991 0.557 0.725 0.833 0.500 CB 1.190 7 residues pruned to eliminate duplicates Z: 30 37.025 1.995 0.768 0.901 0.966 0.552 CA 1.441 30 residues pruned to eliminate duplicates Z: 9 13.419 1.965 0.235 0.877 1.000 1.000 CB 1.419 9 residues pruned to eliminate duplicates Z: 9 6.266 1.721 0.278 0.738 0.750 0.625 CB 1.085 9 residues pruned to eliminate duplicates Z: 8 11.267 1.976 0.486 0.773 0.714 0.714 CB 1.595 8 residues pruned to eliminate duplicates Z: 7 9.484 1.722 0.586 0.675 1.000 0.833 O 1.206 Z: 18 38.493 2.164 0.916 0.799 0.941 0.706 CB 1.842 18 residues pruned to eliminate duplicates Z: 21 22.409 1.727 0.450 0.918 0.950 0.850 CA 1.486 21 residues pruned to eliminate duplicates Z: 50 48.127 2.107 0.746 0.722 0.959 0.755 CB 1.594 61 residues pruned to eliminate duplicates Z: 38 30.021 2.114 0.614 0.662 0.811 0.622 CB 1.535 48 residues pruned to eliminate duplicates Z: 28 38.256 2.141 0.873 0.720 1.000 0.593 CB 1.505 28 residues pruned to eliminate duplicates Z: 21 25.006 1.741 0.594 0.935 1.000 0.900 CA 1.404 20 residues pruned to eliminate duplicates Z: 30 34.351 2.018 0.678 0.876 0.931 0.759 CA 1.470 30 residues pruned to eliminate duplicates Z: 10 15.194 2.100 0.468 0.926 1.000 1.000 CB 1.152 10 residues pruned to eliminate duplicates Z: 9 13.425 1.892 0.771 0.786 0.875 0.375 CB 1.259 9 residues pruned to eliminate duplicates Z: 46 72.275 2.281 1.052 0.855 0.956 0.556 CB 1.777 46 residues pruned to eliminate duplicates Z: 23 19.638 1.890 0.266 0.716 1.000 0.773 CB 1.439 23 residues pruned to eliminate duplicates Z: 38 21.172 2.119 0.541 0.397 0.892 0.270 CB 1.332 38 residues pruned to eliminate duplicates Z: 16 15.686 1.874 0.649 0.701 0.933 0.800 CB 1.169 11 residues pruned to eliminate duplicates Z: 11 14.321 1.732 0.599 0.787 0.900 0.600 CB 1.412 11 residues pruned to eliminate duplicates Z: 16 18.261 2.026 0.563 0.891 0.867 0.600 CB 1.235 16 residues pruned to eliminate duplicates Z: 16 11.981 2.009 0.312 0.531 0.800 0.600 CB 1.423 16 residues pruned to eliminate duplicates Z: 15 22.104 2.031 0.813 0.912 1.000 0.786 CB 1.136 15 residues pruned to eliminate duplicates Z: 10 16.059 1.873 0.524 0.891 1.000 0.889 CB 1.348 10 residues pruned to eliminate duplicates Z: 16 29.615 2.067 0.736 0.948 1.000 0.933 CA 1.471 16 residues pruned to eliminate duplicates Z: 9 18.684 2.131 0.480 0.762 1.000 0.500 CA 1.660 9 residues pruned to eliminate duplicates Z: 90 41.138 2.114 0.557 0.491 0.876 0.584 CB 1.525 54 residues pruned to eliminate duplicates Z: 20 21.394 1.746 0.391 0.915 1.000 0.789 CB 1.427 21 residues pruned to eliminate duplicates Z: 6 5.829 1.406 0.932 0.664 0.800 0.800 N 1.031 6 residues pruned to eliminate duplicates Z: 15 17.386 1.774 0.634 0.877 1.000 0.857 CA 1.164 14 residues pruned to eliminate duplicates Z: 25 25.632 2.200 0.857 0.575 0.833 0.625 CB 1.430 15 residues pruned to eliminate duplicates Z: 39 41.508 2.156 0.901 0.695 0.947 0.605 CB 1.451 38 residues pruned to eliminate duplicates Z: 17 28.822 2.075 0.740 0.906 1.000 0.750 CA 1.419 17 residues pruned to eliminate duplicates Z: 12 16.694 1.647 0.815 0.836 1.000 0.545 CB 1.261 Z: 19 26.828 1.958 0.645 0.933 0.889 0.611 CB 1.541 19 residues pruned to eliminate duplicates Z: 21 21.159 1.730 0.379 0.922 1.000 0.900 CA 1.394 21 residues pruned to eliminate duplicates Z: 15 13.099 1.773 0.817 0.703 0.786 0.571 CB 1.150 15 residues pruned to eliminate duplicates Z: 12 23.301 2.065 0.982 0.890 0.818 0.545 CB 1.509 12 residues pruned to eliminate duplicates Z: 25 19.636 2.112 0.591 0.403 0.917 0.625 CB 1.441 26 residues pruned to eliminate duplicates Z: 15 37.871 2.101 1.148 0.908 1.000 0.571 CA 1.593 24 residues pruned to eliminate duplicates Z: 14 53.419 2.396 1.206 0.946 1.000 0.846 CB 1.939 14 residues pruned to eliminate duplicates Z: 17 28.713 2.129 1.088 0.946 1.000 0.688 CB 1.117 17 residues pruned to eliminate duplicates Z: 6 9.825 1.676 0.761 0.773 1.000 0.800 CA 1.170 Z: 34 25.233 1.981 0.629 0.623 0.879 0.455 CB 1.378 24 residues pruned to eliminate duplicates Z: 31 30.582 2.059 0.883 0.661 0.900 0.600 CB 1.378 31 residues pruned to eliminate duplicates Z: 14 44.127 2.194 1.303 0.945 1.000 0.692 CB 1.677 15 residues pruned to eliminate duplicates Z: 27 40.277 2.066 0.825 0.926 0.962 0.846 CA 1.528 27 residues pruned to eliminate duplicates Z: 11 8.334 2.039 0.506 0.377 0.800 0.700 CB 1.224 11 residues pruned to eliminate duplicates Z: 25 23.914 2.098 1.053 0.572 0.875 0.542 CB 1.208 25 residues pruned to eliminate duplicates Z: 27 39.278 2.061 0.894 0.940 0.885 0.462 CA 1.549 27 residues pruned to eliminate duplicates Z: 13 25.074 2.012 0.876 0.886 1.000 0.583 CB 1.383 13 residues pruned to eliminate duplicates Z: 9 21.816 2.048 0.622 0.894 1.000 0.875 CB 1.666 10 residues pruned to eliminate duplicates Z: 32 36.005 2.092 0.958 0.642 0.935 0.613 CB 1.479 32 residues pruned to eliminate duplicates Z: 29 39.506 2.035 0.704 0.933 1.000 0.857 CA 1.502 29 residues pruned to eliminate duplicates Z: 14 11.614 1.907 0.647 0.609 0.769 0.385 CB 1.203 14 residues pruned to eliminate duplicates Z: 18 36.154 2.178 0.854 0.815 0.941 0.588 CB 1.754 18 residues pruned to eliminate duplicates Z: 45 37.708 2.257 0.592 0.520 0.932 0.591 CB 1.665 45 residues pruned to eliminate duplicates Z: 9 15.480 2.084 0.179 0.911 1.000 0.875 CA 1.579 9 residues pruned to eliminate duplicates Z: 20 29.887 1.985 0.683 0.774 0.947 0.684 CA 1.700 20 residues pruned to eliminate duplicates Z: 16 27.548 2.027 1.099 0.874 0.933 0.933 CA 1.303 16 residues pruned to eliminate duplicates Z: 30 34.363 1.937 0.793 0.877 0.966 0.759 CA 1.382 30 residues pruned to eliminate duplicates Z: 7 11.883 1.785 0.984 0.681 0.833 0.333 CB 1.392 7 residues pruned to eliminate duplicates Z: 20 27.006 1.942 0.426 0.823 1.000 0.842 CA 1.692 20 residues pruned to eliminate duplicates Z: 7 7.934 1.752 0.351 0.689 0.833 0.667 CB 1.381 Z: 12 20.329 1.729 1.157 0.847 0.909 0.364 CB 1.342 12 residues pruned to eliminate duplicates Z: 80 44.605 2.155 0.609 0.554 0.899 0.658 CB 1.528 83 residues pruned to eliminate duplicates Z: 30 55.409 2.294 0.894 0.892 1.000 0.759 CB 1.701 30 residues pruned to eliminate duplicates Z: 40 37.188 2.130 0.669 0.669 0.949 0.718 CB 1.511 40 residues pruned to eliminate duplicates Z: 8 3.008 1.403 0.332 0.210 0.857 0.571 CB 0.999 Z: 10 21.754 1.971 0.616 0.901 1.000 0.889 CA 1.625 9 residues pruned to eliminate duplicates Z: 11 5.389 1.909 0.500 0.343 0.800 0.800 CB 0.882 Z: 12 11.026 1.603 0.527 0.816 0.727 0.545 CB 1.419 Z: 25 35.752 2.085 0.748 0.918 0.958 0.750 CA 1.473 25 residues pruned to eliminate duplicates Z: 10 21.949 2.191 0.648 0.903 0.889 0.667 CA 1.625 10 residues pruned to eliminate duplicates Z: 10 17.421 1.960 0.520 0.889 0.889 0.889 CA 1.579 10 residues pruned to eliminate duplicates Z: 26 30.858 1.903 0.728 0.856 0.960 0.520 CB 1.441 26 residues pruned to eliminate duplicates Z: 12 13.715 1.840 0.499 0.829 0.909 0.727 CB 1.241 12 residues pruned to eliminate duplicates Z: 14 44.818 2.355 0.954 0.919 1.000 0.846 CA 1.903 14 residues pruned to eliminate duplicates Z: 13 15.767 1.971 0.845 0.771 0.917 0.667 CB 1.074 13 residues pruned to eliminate duplicates Z: 27 19.086 2.000 0.512 0.499 0.846 0.538 CA 1.465 27 residues pruned to eliminate duplicates Z: 13 14.004 1.759 0.628 0.797 1.000 0.833 CB 1.089 13 residues pruned to eliminate duplicates Z: 20 23.446 1.761 0.545 0.902 1.000 0.789 CB 1.410 14 residues pruned to eliminate duplicates Z: 12 11.553 1.587 0.466 0.886 0.818 0.727 O 1.320 12 residues pruned to eliminate duplicates Z: 27 21.999 1.929 0.756 0.589 0.885 0.538 CB 1.322 27 residues pruned to eliminate duplicates Z: 15 41.781 2.275 1.041 0.923 0.929 0.929 CB 1.820 15 residues pruned to eliminate duplicates Z: 11 15.161 1.875 0.475 0.874 1.000 1.000 CA 1.262 11 residues pruned to eliminate duplicates Z: 20 24.722 1.910 0.406 0.907 0.947 0.842 CB 1.584 20 residues pruned to eliminate duplicates Z: 38 29.358 2.032 0.808 0.652 0.838 0.405 CB 1.361 38 residues pruned to eliminate duplicates Z: 13 5.464 1.744 0.298 0.232 0.833 0.500 CB 1.143 13 residues pruned to eliminate duplicates Z: 19 18.094 2.095 0.540 0.551 0.889 0.278 CB 1.416 19 residues pruned to eliminate duplicates Z: 16 28.647 2.051 0.721 0.916 1.000 0.867 CA 1.480 16 residues pruned to eliminate duplicates Z: 26 20.769 1.724 0.490 0.812 0.920 0.760 CB 1.340 26 residues pruned to eliminate duplicates Z: 13 24.184 2.034 1.033 0.854 0.917 0.500 CB 1.360 13 residues pruned to eliminate duplicates Z: 14 18.990 1.824 0.601 0.894 1.000 0.923 CA 1.294 14 residues pruned to eliminate duplicates Z: 10 14.867 1.933 0.262 0.907 1.000 0.889 N 1.444 10 residues pruned to eliminate duplicates Z: 14 15.692 1.878 0.646 0.646 0.923 0.692 CB 1.331 14 residues pruned to eliminate duplicates Z: 15 28.641 2.098 0.915 0.872 1.000 0.786 CA 1.388 15 residues pruned to eliminate duplicates Z: 7 13.971 2.142 0.821 0.807 0.833 0.500 CA 1.342 7 residues pruned to eliminate duplicates Z: 16 9.640 2.046 0.108 0.469 0.800 0.533 CB 1.416 16 residues pruned to eliminate duplicates Z: 6 7.980 1.629 0.885 0.852 0.800 0.600 CA 1.075 6 residues pruned to eliminate duplicates Z: 10 12.501 1.818 0.218 0.852 1.000 0.889 CB 1.393 Z: 16 21.093 2.059 0.804 0.579 0.867 0.600 CA 1.567 16 residues pruned to eliminate duplicates Z: 10 14.573 1.953 0.742 0.866 1.000 0.333 CB 1.046 10 residues pruned to eliminate duplicates Z: 10 20.057 1.929 0.507 0.902 1.000 0.778 CA 1.639 10 residues pruned to eliminate duplicates Z: 16 30.928 2.085 0.763 0.941 1.000 0.933 CA 1.508 16 residues pruned to eliminate duplicates Z: 15 27.851 2.130 0.669 0.936 1.000 1.000 CA 1.459 15 residues pruned to eliminate duplicates Z: 74 46.310 2.128 0.582 0.619 0.918 0.644 CB 1.568 73 residues pruned to eliminate duplicates Z: 8 9.520 1.755 0.684 0.598 0.857 0.714 CB 1.294 Z: 11 14.631 2.094 0.230 0.705 0.900 0.600 CA 1.657 12 residues pruned to eliminate duplicates Z: 63 80.571 2.323 1.028 0.774 0.968 0.726 CB 1.763 63 residues pruned to eliminate duplicates Z: 18 27.249 2.072 0.734 0.892 1.000 0.824 CB 1.322 18 residues pruned to eliminate duplicates Z: 11 8.806 2.019 0.674 0.333 0.800 0.600 CB 1.236 Z: 107 80.798 2.178 0.964 0.692 0.943 0.604 CB 1.630 110 residues pruned to eliminate duplicates Z: 18 28.882 2.062 0.780 0.881 1.000 0.824 CB 1.382 18 residues pruned to eliminate duplicates Z: 11 11.119 1.783 0.032 0.896 0.900 0.600 N 1.522 11 residues pruned to eliminate duplicates Z: 11 12.828 1.969 0.462 0.846 0.900 0.600 CB 1.163 11 residues pruned to eliminate duplicates Z: 13 9.978 1.921 0.167 0.456 0.917 0.500 CB 1.467 13 residues pruned to eliminate duplicates Z: 13 20.284 1.846 0.816 0.842 1.000 0.750 CB 1.302 13 residues pruned to eliminate duplicates Z: 16 26.351 2.036 0.722 0.933 1.000 1.000 CA 1.354 16 residues pruned to eliminate duplicates Z: 13 11.755 1.699 -0.035 0.923 1.000 0.833 CA 1.455 13 residues pruned to eliminate duplicates Z: 13 22.173 1.910 0.713 0.925 1.000 0.917 CB 1.373 13 residues pruned to eliminate duplicates Z: 13 15.412 1.725 0.242 0.901 1.000 0.833 CB 1.482 13 residues pruned to eliminate duplicates Z: 13 17.468 1.954 0.780 0.769 0.833 0.750 CB 1.372 13 residues pruned to eliminate duplicates Z: 7 8.159 1.811 0.689 0.683 0.833 0.667 CB 1.105 6 residues pruned to eliminate duplicates Z: 12 14.350 1.918 0.459 0.879 1.000 0.818 CB 1.121 12 residues pruned to eliminate duplicates Z: 11 20.928 1.815 0.706 0.887 1.000 0.900 CB 1.542 11 residues pruned to eliminate duplicates Z: 28 46.475 2.324 1.049 0.883 0.815 0.296 CB 1.666 28 residues pruned to eliminate duplicates Z: 7 23.789 2.232 1.009 0.877 1.000 0.833 N 1.573 7 residues pruned to eliminate duplicates Z: 52 69.087 2.304 0.982 0.753 0.941 0.745 CB 1.797 52 residues pruned to eliminate duplicates Z: 32 26.630 2.196 0.735 0.444 0.903 0.581 CB 1.472 32 residues pruned to eliminate duplicates Z: 15 38.867 2.340 1.228 0.903 1.000 0.643 CB 1.420 15 residues pruned to eliminate duplicates Z: 11 18.483 1.798 0.687 0.850 1.000 0.900 CB 1.427 10 residues pruned to eliminate duplicates Z: 20 25.005 1.755 0.565 0.928 1.000 0.895 CA 1.462 21 residues pruned to eliminate duplicates Z: 49 48.826 2.109 0.645 0.718 1.000 0.792 CB 1.667 49 residues pruned to eliminate duplicates Z: 49 52.897 2.115 0.858 0.732 0.979 0.792 CB 1.612 50 residues pruned to eliminate duplicates Z: 17 26.177 2.145 0.558 0.896 1.000 0.938 CB 1.403 17 residues pruned to eliminate duplicates Z: 15 25.658 2.063 0.938 0.925 1.000 0.929 CB 1.204 15 residues pruned to eliminate duplicates Z: 10 8.900 1.682 0.600 0.664 0.889 0.333 CA 1.065 10 residues pruned to eliminate duplicates Z: 19 25.500 1.880 0.614 0.898 1.000 0.667 CB 1.416 19 residues pruned to eliminate duplicates Z: 48 38.393 2.126 0.704 0.636 0.894 0.617 CB 1.523 48 residues pruned to eliminate duplicates Z: 12 11.973 1.741 0.377 0.868 1.000 0.545 CB 1.101 12 residues pruned to eliminate duplicates Z: 28 22.849 2.103 0.550 0.470 0.926 0.519 CB 1.501 18 residues pruned to eliminate duplicates Z: 19 26.538 1.926 0.975 0.883 1.000 0.889 CB 1.189 19 residues pruned to eliminate duplicates Z: 85 46.583 2.162 0.615 0.531 0.917 0.595 CB 1.540 84 residues pruned to eliminate duplicates Z: 7 2.269 1.678 0.420 0.396 0.333 0.333 CB 1.302 Z: 13 14.168 1.715 0.682 0.811 1.000 0.833 CA 1.081 13 residues pruned to eliminate duplicates Z: 8 19.879 1.933 1.178 0.845 1.000 0.714 N 1.327 8 residues pruned to eliminate duplicates Z: 28 15.305 1.944 0.813 0.436 0.815 0.481 CB 1.097 28 residues pruned to eliminate duplicates Z: 33 25.756 2.213 0.647 0.456 0.938 0.625 CB 1.394 33 residues pruned to eliminate duplicates Z: 13 9.831 2.013 0.282 0.312 1.000 0.333 CB 1.355 13 residues pruned to eliminate duplicates Z: 39 38.854 2.066 0.808 0.713 0.947 0.553 CB 1.469 48 residues pruned to eliminate duplicates Z: 9 8.627 1.884 0.226 0.828 0.750 0.625 CB 1.325 9 residues pruned to eliminate duplicates Z: 38 20.633 1.907 0.511 0.559 0.811 0.568 CB 1.371 38 residues pruned to eliminate duplicates Z: 10 14.203 2.003 0.379 0.884 1.000 1.000 CB 1.237 10 residues pruned to eliminate duplicates Z: 13 29.802 2.332 0.604 0.930 1.000 0.917 CA 1.609 13 residues pruned to eliminate duplicates Z: 18 22.809 1.808 0.596 0.916 1.000 0.824 CB 1.354 18 residues pruned to eliminate duplicates Z: 9 8.127 1.781 0.617 0.715 0.750 0.375 CA 1.095 9 residues pruned to eliminate duplicates Z: 56 32.585 2.011 0.564 0.554 0.909 0.564 CB 1.458 56 residues pruned to eliminate duplicates Z: 9 7.064 1.670 0.231 0.752 0.875 0.625 CB 1.109 9 residues pruned to eliminate duplicates Z: 20 13.086 1.759 0.496 0.550 0.895 0.421 CB 1.214 21 residues pruned to eliminate duplicates Z: 26 30.301 1.948 0.847 0.709 0.880 0.680 CA 1.584 26 residues pruned to eliminate duplicates Z: 14 41.592 2.187 1.131 0.926 1.000 0.769 CA 1.736 14 residues pruned to eliminate duplicates Z: 6 3.142 1.499 0.155 0.422 1.000 0.800 CB 0.880 Z: 13 24.142 1.918 0.850 0.932 1.000 0.917 CB 1.371 13 residues pruned to eliminate duplicates Z: 11 15.641 1.839 0.498 0.873 1.000 0.700 CB 1.307 11 residues pruned to eliminate duplicates Z: 16 32.714 2.040 1.088 0.876 1.000 0.667 CA 1.442 16 residues pruned to eliminate duplicates Z: 47 33.258 2.053 0.714 0.605 0.848 0.565 CB 1.487 47 residues pruned to eliminate duplicates Z: 7 5.883 1.718 0.746 0.554 1.000 0.833 CA 0.760 7 residues pruned to eliminate duplicates Z: 8 11.027 1.814 0.971 0.700 0.714 0.571 CA 1.360 8 residues pruned to eliminate duplicates Z: 28 41.711 2.039 1.037 0.920 0.889 0.407 CB 1.531 28 residues pruned to eliminate duplicates Z: 11 16.440 1.653 0.880 0.935 1.000 0.800 CA 1.166 11 residues pruned to eliminate duplicates Z: 12 19.261 1.905 0.682 0.697 1.000 0.545 CA 1.513 12 residues pruned to eliminate duplicates Z: 12 10.886 1.550 0.360 0.785 0.909 0.545 CA 1.334 12 residues pruned to eliminate duplicates Z: 43 40.722 1.942 0.672 0.843 0.976 0.667 CA 1.475 40 residues pruned to eliminate duplicates Z: 19 21.137 1.780 0.388 0.906 1.000 0.667 CB 1.433 19 residues pruned to eliminate duplicates Z: 7 17.447 2.358 0.524 0.761 1.000 0.833 CA 1.572 7 residues pruned to eliminate duplicates Z: 25 15.389 1.954 0.383 0.497 0.875 0.375 CB 1.333 25 residues pruned to eliminate duplicates Z: 58 34.561 2.224 0.615 0.471 0.860 0.544 CB 1.527 58 residues pruned to eliminate duplicates Z: 18 20.933 1.997 0.478 0.919 1.000 0.941 CB 1.212 18 residues pruned to eliminate duplicates Z: 9 16.054 2.020 0.598 0.789 0.875 0.625 CB 1.559 9 residues pruned to eliminate duplicates Z: 17 17.180 2.161 0.358 0.562 0.938 0.750 CA 1.470 20 residues pruned to eliminate duplicates Z: 17 27.015 1.985 0.768 0.880 1.000 0.812 CA 1.395 17 residues pruned to eliminate duplicates Z: 23 19.381 1.935 0.648 0.484 0.909 0.545 CB 1.448 23 residues pruned to eliminate duplicates Z: 9 7.691 1.577 0.728 0.465 0.875 0.500 CB 1.183 Z: 86 44.615 2.155 0.641 0.512 0.906 0.624 CB 1.493 86 residues pruned to eliminate duplicates Z: 7 6.988 1.832 0.263 0.687 0.833 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 14 14.831 1.707 0.326 0.876 0.923 0.692 CA 1.430 14 residues pruned to eliminate duplicates Z: 40 37.224 2.056 0.893 0.660 0.949 0.667 CB 1.391 40 residues pruned to eliminate duplicates Z: 19 33.856 2.071 0.798 0.737 0.944 0.667 CA 1.835 19 residues pruned to eliminate duplicates Z: 19 21.962 1.992 0.579 0.885 0.944 0.667 CB 1.258 19 residues pruned to eliminate duplicates Z: 20 25.292 1.747 0.718 0.909 1.000 0.737 CB 1.372 20 residues pruned to eliminate duplicates Z: 10 8.659 1.703 0.302 0.846 0.889 0.778 CB 1.088 Z: 26 40.209 2.052 0.806 0.929 0.960 0.400 CB 1.581 26 residues pruned to eliminate duplicates Z: 13 11.519 1.718 -0.005 0.927 0.917 0.667 CA 1.487 13 residues pruned to eliminate duplicates Z: 10 13.788 1.837 0.583 0.856 0.889 0.667 N 1.312 10 residues pruned to eliminate duplicates Z: 17 27.578 1.958 0.843 0.929 1.000 0.812 CA 1.338 17 residues pruned to eliminate duplicates Z: 14 11.084 1.687 0.472 0.861 0.923 0.692 CB 0.985 14 residues pruned to eliminate duplicates Z: 7 7.098 1.651 0.398 0.606 1.000 0.667 CA 1.134 7 residues pruned to eliminate duplicates Z: 27 40.710 2.227 0.941 0.700 0.923 0.577 CB 1.668 27 residues pruned to eliminate duplicates Z: 9 12.336 1.801 0.515 0.889 0.875 0.500 CB 1.316 9 residues pruned to eliminate duplicates Z: 49 35.849 2.215 0.726 0.500 0.875 0.521 CB 1.547 49 residues pruned to eliminate duplicates Z: 11 21.103 1.802 1.130 0.910 1.000 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 31 31.032 1.915 0.670 0.848 0.900 0.600 CA 1.461 31 residues pruned to eliminate duplicates Z: 9 3.140 1.537 0.124 0.337 0.625 0.250 N 1.229 9 residues pruned to eliminate duplicates Z: 7 5.677 1.528 0.518 0.868 0.833 0.500 CB 0.876 6 residues pruned to eliminate duplicates Z: 6 2.413 1.680 -0.051 0.471 0.800 0.600 CB 0.871 Z: 24 15.637 1.875 0.374 0.656 0.826 0.696 CB 1.326 24 residues pruned to eliminate duplicates Z: 24 38.342 2.015 1.014 0.933 0.913 0.348 CB 1.506 24 residues pruned to eliminate duplicates Z: 32 24.912 2.116 0.626 0.464 0.903 0.484 CB 1.493 32 residues pruned to eliminate duplicates Z: 6 2.626 1.741 0.025 0.649 0.800 0.800 CB 0.716 2 residues pruned to eliminate duplicates Z: 20 25.926 1.755 0.840 0.907 0.947 0.737 CB 1.381 20 residues pruned to eliminate duplicates Z: 6 8.048 1.579 0.565 0.794 1.000 0.600 O 1.125 6 residues pruned to eliminate duplicates Z: 17 21.630 1.969 0.666 0.915 0.875 0.562 CA 1.331 17 residues pruned to eliminate duplicates Z: 8 3.372 1.738 0.868 0.631 0.857 0.714 CB 0.405 8 residues pruned to eliminate duplicates Z: 10 11.536 1.851 0.349 0.758 1.000 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 20 14.680 1.670 0.589 0.694 0.895 0.526 CB 1.188 20 residues pruned to eliminate duplicates Z: 27 40.603 2.044 0.824 0.924 0.962 0.731 CB 1.559 27 residues pruned to eliminate duplicates Z: 22 18.522 2.064 0.516 0.553 0.810 0.571 CB 1.515 22 residues pruned to eliminate duplicates Z: 17 31.670 2.005 1.143 0.895 1.000 0.812 CB 1.321 17 residues pruned to eliminate duplicates Z: 15 22.363 2.074 0.560 0.927 1.000 0.929 CB 1.294 15 residues pruned to eliminate duplicates Z: 77 45.951 2.117 0.753 0.545 0.921 0.645 CB 1.476 77 residues pruned to eliminate duplicates Z: 21 36.708 2.123 0.766 0.954 1.000 0.600 CA 1.506 21 residues pruned to eliminate duplicates Z: 12 16.576 2.150 0.647 0.814 0.818 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 6 7.091 1.501 0.699 0.613 1.000 0.800 N 1.117 6 residues pruned to eliminate duplicates Z: 30 18.152 1.832 0.322 0.611 0.862 0.690 CB 1.453 30 residues pruned to eliminate duplicates Z: 26 38.010 2.035 0.839 0.938 0.960 0.400 CB 1.471 26 residues pruned to eliminate duplicates Z: 19 23.620 1.767 0.611 0.888 1.000 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 55 37.629 2.070 0.628 0.582 0.907 0.630 CB 1.548 55 residues pruned to eliminate duplicates Z: 21 13.559 1.621 0.508 0.707 0.900 0.600 CB 1.142 21 residues pruned to eliminate duplicates Z: 21 25.902 1.697 0.701 0.914 1.000 0.700 CA 1.420 21 residues pruned to eliminate duplicates Z: 10 3.437 1.474 0.623 0.161 0.889 0.444 CB 0.816 Z: 13 14.550 1.786 0.468 0.685 1.000 0.583 CB 1.351 13 residues pruned to eliminate duplicates Z: 23 21.539 1.755 0.373 0.854 1.000 0.773 CB 1.407 23 residues pruned to eliminate duplicates Z: 19 13.299 1.846 0.107 0.604 1.000 0.778 CB 1.389 19 residues pruned to eliminate duplicates Z: 9 10.004 1.750 0.326 0.806 1.000 0.750 CB 1.167 9 residues pruned to eliminate duplicates Z: 56 44.318 2.078 0.698 0.680 0.927 0.764 CB 1.549 55 residues pruned to eliminate duplicates Z: 28 35.650 2.264 0.838 0.639 0.889 0.741 CB 1.629 28 residues pruned to eliminate duplicates Z: 20 25.015 1.764 0.674 0.924 1.000 0.789 CB 1.365 21 residues pruned to eliminate duplicates Z: 61 44.251 2.083 0.656 0.665 0.917 0.700 CB 1.552 61 residues pruned to eliminate duplicates Z: 16 15.504 1.851 0.872 0.620 0.867 0.733 CB 1.191 15 residues pruned to eliminate duplicates Z: 10 13.879 1.733 0.292 0.908 1.000 0.778 O 1.468 10 residues pruned to eliminate duplicates Z: 56 43.829 2.083 0.671 0.660 0.945 0.655 CB 1.548 56 residues pruned to eliminate duplicates Z: 31 30.546 2.067 0.629 0.604 0.967 0.733 CB 1.552 31 residues pruned to eliminate duplicates Z: 7 3.017 1.542 0.355 0.533 0.667 0.500 CB 0.856 7 residues pruned to eliminate duplicates Z: 42 30.650 2.025 0.836 0.642 0.878 0.415 CB 1.284 42 residues pruned to eliminate duplicates Z: 8 9.542 2.035 0.437 0.537 1.000 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 17 28.975 1.997 0.831 0.887 0.938 0.688 CA 1.524 17 residues pruned to eliminate duplicates Z: 14 17.381 1.981 0.621 0.764 0.923 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 8 4.980 1.720 0.728 0.199 0.857 0.714 CB 1.057 8 residues pruned to eliminate duplicates Z: 10 4.571 1.620 0.567 0.220 0.778 0.444 CA 1.071 10 residues pruned to eliminate duplicates Z: 85 45.994 2.155 0.679 0.536 0.881 0.571 CB 1.520 85 residues pruned to eliminate duplicates Z: 7 3.971 1.675 0.103 0.466 1.000 0.667 CB 0.908 Z: 10 9.439 1.680 0.233 0.845 1.000 0.778 CB 1.130 10 residues pruned to eliminate duplicates Z: 22 24.659 1.777 0.423 0.907 1.000 0.905 CB 1.512 22 residues pruned to eliminate duplicates Z: 14 11.908 1.681 0.363 0.875 1.000 0.692 CB 1.048 14 residues pruned to eliminate duplicates Z: 16 15.096 1.982 0.348 0.903 0.933 0.867 CB 1.114 16 residues pruned to eliminate duplicates Z: 28 47.623 2.081 0.952 0.953 0.963 0.593 CA 1.612 28 residues pruned to eliminate duplicates Z: 8 15.775 1.991 0.912 0.680 1.000 0.714 CA 1.327 8 residues pruned to eliminate duplicates Z: 87 71.486 2.153 0.883 0.695 0.942 0.674 CB 1.690 87 residues pruned to eliminate duplicates Z: 30 49.599 2.290 0.889 0.901 0.931 0.448 CB 1.632 30 residues pruned to eliminate duplicates Z: 14 11.217 1.755 0.186 0.850 0.923 0.769 CB 1.200 14 residues pruned to eliminate duplicates Z: 7 16.999 2.129 0.883 0.883 1.000 0.667 CA 1.252 7 residues pruned to eliminate duplicates Z: 14 16.012 1.955 0.714 0.730 0.846 0.692 CB 1.273 14 residues pruned to eliminate duplicates Z: 6 13.473 1.888 0.910 0.868 1.000 0.800 N 1.222 6 residues pruned to eliminate duplicates Z: 11 15.210 1.811 0.533 0.807 1.000 0.500 CB 1.326 11 residues pruned to eliminate duplicates Z: 13 15.462 1.988 0.583 0.763 0.917 0.583 CA 1.225 13 residues pruned to eliminate duplicates Z: 16 24.550 1.966 0.760 0.923 1.000 0.933 CB 1.287 16 residues pruned to eliminate duplicates Z: 21 29.820 2.011 0.764 0.919 1.000 0.750 CA 1.325 21 residues pruned to eliminate duplicates Z: 9 12.496 1.915 0.501 0.822 0.875 0.750 CA 1.329 9 residues pruned to eliminate duplicates Z: 9 3.818 1.372 0.844 0.273 0.750 0.500 CA 0.921 Z: 11 9.206 1.986 0.387 0.464 0.900 0.500 CB 1.218 11 residues pruned to eliminate duplicates Z: 15 34.557 2.327 1.084 0.885 1.000 0.714 CB 1.375 15 residues pruned to eliminate duplicates Z: 12 8.886 1.666 0.706 0.288 0.909 0.636 O 1.315 12 residues pruned to eliminate duplicates Z: 18 21.393 1.741 0.527 0.913 1.000 0.765 CB 1.382 18 residues pruned to eliminate duplicates 9 1.007 1.768 0.250 0.382 0.625 0.500 CB 0.292 ? Z: 15 7.730 1.765 0.473 0.321 0.786 0.643 CB 1.231 23 residues pruned to eliminate duplicates Z: 52 42.006 2.070 0.671 0.687 0.902 0.745 CB 1.589 52 residues pruned to eliminate duplicates Z: 10 15.567 1.804 0.647 0.865 0.889 0.889 O 1.439 10 residues pruned to eliminate duplicates Z: 14 13.345 1.755 0.486 0.860 1.000 0.769 CB 1.043 14 residues pruned to eliminate duplicates Z: 9 7.784 1.664 0.467 0.866 0.875 0.750 CB 0.943 9 residues pruned to eliminate duplicates Z: 16 15.823 2.122 0.535 0.357 1.000 0.400 CB 1.463 16 residues pruned to eliminate duplicates Z: 16 41.782 2.148 1.356 0.920 1.000 0.800 CA 1.501 16 residues pruned to eliminate duplicates Z: 37 17.911 1.834 0.425 0.474 0.889 0.639 CB 1.319 37 residues pruned to eliminate duplicates Z: 21 23.301 1.702 0.729 0.934 1.000 0.450 CB 1.234 21 residues pruned to eliminate duplicates Z: 9 11.963 1.805 0.480 0.642 0.875 0.875 O 1.585 9 residues pruned to eliminate duplicates Z: 9 12.258 2.132 0.324 0.716 0.875 0.625 CA 1.443 9 residues pruned to eliminate duplicates Z: 17 28.679 2.117 0.845 0.855 1.000 0.500 CB 1.354 17 residues pruned to eliminate duplicates Z: 19 6.683 1.675 0.431 0.269 0.833 0.333 CB 1.025 19 residues pruned to eliminate duplicates Z: 6 5.909 2.015 0.064 0.808 0.800 0.800 CB 1.179 Z: 31 35.880 2.075 0.920 0.742 1.000 0.600 CB 1.324 31 residues pruned to eliminate duplicates Z: 36 23.051 1.858 0.607 0.587 0.914 0.514 CB 1.312 36 residues pruned to eliminate duplicates Z: 13 19.110 1.934 0.837 0.795 0.917 0.833 CB 1.309 13 residues pruned to eliminate duplicates Z: 19 13.672 1.881 0.563 0.326 0.944 0.667 CB 1.405 19 residues pruned to eliminate duplicates Z: 17 26.090 1.945 0.731 0.907 1.000 1.000 CA 1.376 17 residues pruned to eliminate duplicates Z: 30 53.507 2.272 1.164 0.886 0.897 0.517 CB 1.626 30 residues pruned to eliminate duplicates Z: 7 4.397 1.494 0.161 0.818 1.000 0.667 CB 0.785 7 residues pruned to eliminate duplicates Z: 9 6.745 1.960 0.406 0.374 0.750 0.500 CB 1.321 9 residues pruned to eliminate duplicates Z: 17 22.365 2.050 0.775 0.912 0.938 0.750 CB 1.161 17 residues pruned to eliminate duplicates Z: 9 3.270 1.593 0.419 0.261 0.750 0.625 CB 0.895 Z: 11 16.449 1.774 0.398 0.920 1.000 0.800 CB 1.477 11 residues pruned to eliminate duplicates 7 1.875 1.544 0.353 0.083 0.500 0.333 O 1.256 ? Z: 20 21.826 1.760 0.585 0.894 0.947 0.842 CB 1.360 20 residues pruned to eliminate duplicates Z: 8 5.566 2.072 0.308 0.338 1.000 0.571 CB 0.926 8 residues pruned to eliminate duplicates Z: 6 8.797 1.752 0.852 0.657 0.800 0.800 N 1.309 6 residues pruned to eliminate duplicates Z: 13 28.688 2.319 0.944 0.930 0.833 0.583 CB 1.541 13 residues pruned to eliminate duplicates Z: 15 21.870 2.029 0.536 0.900 1.000 0.929 CB 1.340 15 residues pruned to eliminate duplicates Z: 20 26.460 1.771 0.727 0.930 1.000 0.789 CB 1.388 20 residues pruned to eliminate duplicates Z: 21 31.735 2.101 0.924 0.658 0.850 0.450 CB 1.784 21 residues pruned to eliminate duplicates Z: 7 3.775 1.618 -0.043 0.597 0.833 0.500 CB 1.089 Z: 10 20.293 2.151 0.475 0.879 1.000 0.889 CB 1.547 10 residues pruned to eliminate duplicates Z: 12 16.013 1.786 0.232 0.917 1.000 0.727 CA 1.549 12 residues pruned to eliminate duplicates Z: 17 26.142 2.131 0.714 0.909 0.938 0.812 CB 1.355 17 residues pruned to eliminate duplicates Z: 46 39.091 2.069 0.676 0.664 0.911 0.733 CB 1.583 46 residues pruned to eliminate duplicates Z: 16 11.178 2.076 0.345 0.457 0.733 0.533 CB 1.472 16 residues pruned to eliminate duplicates Z: 12 8.265 1.551 0.314 0.801 1.000 0.636 CB 0.940 12 residues pruned to eliminate duplicates Z: 58 39.565 1.999 0.663 0.628 0.930 0.561 CB 1.503 58 residues pruned to eliminate duplicates Z: 22 53.582 2.354 1.030 0.886 1.000 0.905 CB 1.765 22 residues pruned to eliminate duplicates Z: 41 34.739 2.079 0.724 0.673 0.925 0.700 CB 1.412 47 residues pruned to eliminate duplicates Z: 7 5.606 1.768 0.461 0.659 0.667 0.500 N 1.147 7 residues pruned to eliminate duplicates Z: 12 16.086 1.869 0.537 0.881 0.909 0.818 N 1.345 12 residues pruned to eliminate duplicates Z: 46 67.337 2.293 0.992 0.845 0.933 0.578 CB 1.752 46 residues pruned to eliminate duplicates Z: 10 13.270 1.750 0.626 0.789 0.889 0.889 CA 1.357 10 residues pruned to eliminate duplicates Z: 14 16.493 1.958 0.790 0.608 0.923 0.615 CB 1.276 14 residues pruned to eliminate duplicates Z: 7 5.186 2.149 -0.052 0.380 1.000 0.667 CB 1.181 7 residues pruned to eliminate duplicates Z: 11 11.564 1.695 0.427 0.839 1.000 0.700 CB 1.129 11 residues pruned to eliminate duplicates Z: 8 10.296 2.056 -0.098 0.869 1.000 0.857 CA 1.533 8 residues pruned to eliminate duplicates Z: 46 32.844 2.063 0.642 0.646 0.889 0.578 CB 1.419 46 residues pruned to eliminate duplicates Z: 17 12.377 2.186 0.603 0.480 0.812 0.375 CB 1.109 17 residues pruned to eliminate duplicates Z: 25 53.955 2.353 1.159 0.916 0.875 0.208 CB 1.749 25 residues pruned to eliminate duplicates Z: 6 2.114 1.403 0.558 0.379 1.000 0.800 CB 0.492 Z: 13 22.557 1.921 0.912 0.903 0.917 0.667 N 1.378 13 residues pruned to eliminate duplicates Z: 10 17.567 1.803 0.734 0.776 1.000 0.778 CB 1.469 10 residues pruned to eliminate duplicates Z: 7 6.734 1.807 0.530 0.671 0.833 0.500 CB 1.019 7 residues pruned to eliminate duplicates Z: 7 6.272 1.680 0.396 0.540 1.000 0.667 O 1.049 7 residues pruned to eliminate duplicates Z: 8 8.350 1.865 0.846 0.825 0.571 0.571 CA 1.211 8 residues pruned to eliminate duplicates Z: 28 39.568 2.043 0.861 0.898 0.926 0.556 CA 1.547 28 residues pruned to eliminate duplicates Z: 13 20.042 1.932 0.501 0.889 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 6 3.694 1.623 0.007 0.820 1.000 0.600 CB 0.766 6 residues pruned to eliminate duplicates Z: 45 52.034 2.137 0.857 0.819 0.977 0.818 CA 1.533 45 residues pruned to eliminate duplicates Z: 6 6.980 1.574 0.387 0.645 1.000 0.400 CB 1.249 6 residues pruned to eliminate duplicates Z: 16 28.354 2.198 0.881 0.927 0.933 0.667 CB 1.330 16 residues pruned to eliminate duplicates Z: 6 8.908 1.679 0.468 0.844 0.800 0.600 N 1.504 6 residues pruned to eliminate duplicates Z: 21 20.404 1.684 0.455 0.880 1.000 0.850 CA 1.350 21 residues pruned to eliminate duplicates Z: 7 2.777 1.428 0.072 0.333 1.000 0.500 CB 0.889 Z: 11 12.643 1.618 0.420 0.903 0.900 0.400 CA 1.378 11 residues pruned to eliminate duplicates Z: 13 9.385 1.485 0.418 0.793 0.833 0.417 CB 1.194 13 residues pruned to eliminate duplicates Z: 7 9.803 1.654 0.865 0.808 1.000 0.833 N 0.992 Z: 16 15.333 1.980 0.390 0.596 0.867 0.600 CA 1.514 16 residues pruned to eliminate duplicates Z: 6 3.810 1.484 0.033 0.619 1.000 0.800 CB 0.994 Z: 15 16.493 2.044 0.658 0.604 0.857 0.714 CA 1.374 15 residues pruned to eliminate duplicates Z: 16 15.493 1.714 0.536 0.810 0.933 0.800 CA 1.242 16 residues pruned to eliminate duplicates Z: 45 64.423 2.328 1.119 0.807 0.955 0.386 CB 1.579 45 residues pruned to eliminate duplicates Z: 20 16.863 1.693 0.358 0.877 0.947 0.789 CA 1.290 20 residues pruned to eliminate duplicates Z: 21 32.088 2.149 0.955 0.683 0.950 0.600 CB 1.519 21 residues pruned to eliminate duplicates Z: 9 7.775 1.814 0.805 0.774 0.750 0.625 CB 0.879 9 residues pruned to eliminate duplicates Z: 23 15.373 1.968 0.462 0.524 0.818 0.500 CB 1.359 23 residues pruned to eliminate duplicates Z: 10 18.974 1.970 0.669 0.809 0.889 0.667 CA 1.654 10 residues pruned to eliminate duplicates Z: 28 22.572 1.981 0.543 0.542 0.926 0.444 CB 1.472 28 residues pruned to eliminate duplicates Z: 13 21.493 1.895 0.735 0.894 1.000 0.833 CB 1.354 13 residues pruned to eliminate duplicates Z: 19 22.963 1.911 0.423 0.888 1.000 0.778 CB 1.434 19 residues pruned to eliminate duplicates Z: 25 29.132 2.008 0.698 0.671 1.000 0.792 CA 1.489 25 residues pruned to eliminate duplicates Z: 11 14.707 1.724 0.669 0.754 0.900 0.900 CA 1.432 11 residues pruned to eliminate duplicates Z: 47 67.563 2.324 1.018 0.773 0.957 0.826 CA 1.744 47 residues pruned to eliminate duplicates Z: 19 25.161 1.781 0.793 0.934 1.000 0.778 CB 1.295 19 residues pruned to eliminate duplicates Z: 20 34.625 1.916 0.843 0.938 1.000 0.737 CB 1.564 19 residues pruned to eliminate duplicates Z: 17 20.405 2.063 0.574 0.709 1.000 0.750 CA 1.299 17 residues pruned to eliminate duplicates Z: 13 20.619 1.909 0.688 0.889 0.917 0.833 CB 1.450 13 residues pruned to eliminate duplicates Z: 10 11.583 1.738 1.149 0.801 0.889 0.667 CB 0.893 11 residues pruned to eliminate duplicates Z: 7 2.778 1.297 0.336 0.385 1.000 0.667 C 0.740 Z: 7 5.260 1.496 0.510 0.351 1.000 0.667 N 1.117 6 1.151 1.212 -0.138 0.504 0.600 0.400 CB 0.818 ? Z: 10 18.178 2.054 0.585 0.854 1.000 0.667 CB 1.375 10 residues pruned to eliminate duplicates Z: 14 18.138 1.960 0.758 0.592 0.923 0.615 CA 1.449 14 residues pruned to eliminate duplicates 7 1.619 1.441 0.216 0.350 0.500 0.500 CB 0.888 ? Z: 6 4.495 1.770 0.462 0.406 0.800 0.400 CB 1.072 6 residues pruned to eliminate duplicates Z: 21 12.316 1.917 0.548 0.334 0.850 0.550 CB 1.309 21 residues pruned to eliminate duplicates Z: 21 18.974 1.694 0.495 0.840 0.900 0.700 CB 1.389 21 residues pruned to eliminate duplicates Z: 19 21.655 1.739 0.738 0.912 0.889 0.778 CB 1.346 19 residues pruned to eliminate duplicates Z: 49 38.966 2.171 0.638 0.573 0.938 0.542 CB 1.571 49 residues pruned to eliminate duplicates Z: 13 14.146 1.833 0.490 0.853 0.833 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 18 16.689 1.977 0.625 0.387 1.000 0.588 CB 1.420 18 residues pruned to eliminate duplicates Z: 61 67.813 2.220 0.967 0.714 0.950 0.633 CB 1.738 61 residues pruned to eliminate duplicates Z: 39 34.844 2.130 0.791 0.661 0.895 0.632 CB 1.426 39 residues pruned to eliminate duplicates Z: 100 76.370 2.163 0.979 0.703 0.899 0.576 CB 1.658 100 residues pruned to eliminate duplicates Z: 38 19.712 1.794 0.747 0.541 0.838 0.541 CB 1.185 38 residues pruned to eliminate duplicates Z: 9 2.472 1.464 -0.034 0.419 0.875 0.375 CB 0.768 9 residues pruned to eliminate duplicates Z: 18 32.076 1.898 1.012 0.860 1.000 0.706 CA 1.498 18 residues pruned to eliminate duplicates Z: 12 8.458 1.568 0.176 0.609 0.909 0.818 O 1.372 12 residues pruned to eliminate duplicates Z: 45 65.682 2.309 1.059 0.766 0.955 0.773 CA 1.723 45 residues pruned to eliminate duplicates Z: 34 27.432 2.230 0.600 0.502 0.879 0.515 CB 1.520 34 residues pruned to eliminate duplicates Z: 7 2.647 1.479 0.333 0.378 0.833 0.667 CA 0.749 Z: 11 16.056 1.953 0.454 0.722 1.000 0.500 N 1.463 11 residues pruned to eliminate duplicates Z: 50 29.037 1.895 0.533 0.602 0.939 0.633 CB 1.380 50 residues pruned to eliminate duplicates Z: 57 36.943 2.042 0.669 0.538 0.893 0.607 CB 1.563 57 residues pruned to eliminate duplicates Z: 35 51.708 2.218 1.035 0.714 0.941 0.647 CA 1.720 35 residues pruned to eliminate duplicates Z: 6 15.754 1.890 0.911 0.774 1.000 0.400 CB 1.532 6 residues pruned to eliminate duplicates Z: 12 4.582 1.529 0.634 0.299 0.727 0.455 CB 0.951 12 residues pruned to eliminate duplicates Z: 13 6.061 1.724 0.601 0.283 0.667 0.333 CB 1.215 13 residues pruned to eliminate duplicates Z: 22 16.334 1.801 0.478 0.555 0.905 0.857 CB 1.403 22 residues pruned to eliminate duplicates Z: 9 4.961 1.761 0.255 0.624 0.875 0.500 CB 0.807 9 residues pruned to eliminate duplicates Z: 35 25.652 1.877 0.802 0.543 0.912 0.588 CB 1.368 35 residues pruned to eliminate duplicates Z: 13 28.565 2.076 1.013 0.897 0.917 0.750 CB 1.541 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 7.732 1.575 0.396 0.692 0.917 0.583 CB 0.930 12 residues pruned to eliminate duplicates Z: 11 11.867 1.670 0.614 0.798 1.000 0.800 CB 1.073 12 residues pruned to eliminate duplicates Z: 11 9.544 1.697 0.405 0.779 0.900 0.600 CB 1.100 11 residues pruned to eliminate duplicates Z: 11 7.587 1.651 0.500 0.781 0.800 0.500 CB 0.945 11 residues pruned to eliminate duplicates Z: 12 9.050 1.633 0.485 0.787 0.909 0.545 CB 0.962 12 residues pruned to eliminate duplicates Z: 13 8.934 1.591 0.545 0.712 0.917 0.417 CB 0.945 13 residues pruned to eliminate duplicates Z: 11 13.164 1.705 0.777 0.895 0.900 0.700 CB 1.094 11 residues pruned to eliminate duplicates Z: 11 11.832 1.683 0.701 0.820 0.900 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 12 11.374 1.622 0.616 0.810 0.909 0.818 CB 1.099 12 residues pruned to eliminate duplicates Z: 29 22.898 2.122 0.579 0.444 0.929 0.464 CB 1.472 29 residues pruned to eliminate duplicates Z: 6 6.497 1.804 0.681 0.616 0.800 0.400 CB 1.073 6 residues pruned to eliminate duplicates Z: 7 11.484 2.095 0.783 0.505 1.000 0.667 CB 1.249 8 residues pruned to eliminate duplicates Z: 8 13.201 1.926 0.547 0.562 1.000 0.429 CA 1.576 7 residues pruned to eliminate duplicates Z: 6 11.389 2.190 0.446 0.444 1.000 0.800 CA 1.704 6 residues pruned to eliminate duplicates Z: 22 11.980 1.980 0.503 0.311 0.905 0.571 CB 1.197 22 residues pruned to eliminate duplicates Z: 17 15.960 2.133 0.572 0.333 0.938 0.562 CB 1.523 17 residues pruned to eliminate duplicates Z: 91 45.313 2.097 0.641 0.571 0.889 0.600 CB 1.458 90 residues pruned to eliminate duplicates Z: 7 9.038 1.759 0.990 0.496 1.000 0.833 CA 1.058 7 residues pruned to eliminate duplicates Z: 28 21.855 2.117 0.655 0.437 0.852 0.444 CB 1.504 28 residues pruned to eliminate duplicates Z: 56 31.838 2.072 0.733 0.488 0.873 0.618 CB 1.387 56 residues pruned to eliminate duplicates Z: 29 20.817 2.069 0.587 0.439 0.893 0.536 CB 1.429 29 residues pruned to eliminate duplicates Z: 28 22.764 2.126 0.620 0.450 0.963 0.556 CB 1.390 28 residues pruned to eliminate duplicates Z: 37 22.364 2.000 0.596 0.428 0.917 0.444 CB 1.373 37 residues pruned to eliminate duplicates Z: 28 22.233 2.116 0.579 0.466 0.963 0.556 CB 1.377 28 residues pruned to eliminate duplicates Z: 91 48.993 2.100 0.631 0.575 0.944 0.622 CB 1.485 91 residues pruned to eliminate duplicates Z: 12 15.050 1.823 0.582 0.806 0.909 0.636 CB 1.325 12 residues pruned to eliminate duplicates Z: 27 14.833 1.914 0.540 0.383 0.885 0.346 CB 1.263 27 residues pruned to eliminate duplicates Z: 30 19.267 2.075 0.553 0.430 0.897 0.552 CB 1.331 30 residues pruned to eliminate duplicates Z: 70 40.411 2.060 0.612 0.594 0.928 0.565 CB 1.444 70 residues pruned to eliminate duplicates Z: 30 19.683 2.055 0.509 0.437 0.931 0.379 CB 1.351 30 residues pruned to eliminate duplicates Z: 32 19.009 2.024 0.474 0.425 0.935 0.548 CB 1.323 32 residues pruned to eliminate duplicates Z: 41 21.561 2.081 0.535 0.392 0.900 0.475 CB 1.329 41 residues pruned to eliminate duplicates Z: 10 7.871 1.845 0.490 0.501 0.778 0.667 CB 1.226 10 residues pruned to eliminate duplicates Z: 25 26.839 2.172 1.009 0.597 0.833 0.583 CB 1.374 25 residues pruned to eliminate duplicates Z: 58 45.908 2.146 0.692 0.641 0.947 0.649 CB 1.549 58 residues pruned to eliminate duplicates Z: 24 26.415 2.136 0.977 0.575 0.826 0.696 CB 1.469 24 residues pruned to eliminate duplicates Z: 10 10.498 2.137 0.749 0.519 0.778 0.667 CB 1.181 10 residues pruned to eliminate duplicates Z: 60 46.354 2.095 0.702 0.659 0.949 0.746 CB 1.539 60 residues pruned to eliminate duplicates Z: 17 25.663 2.086 0.773 0.726 0.938 0.750 CA 1.509 17 residues pruned to eliminate duplicates Z: 29 20.846 2.008 0.764 0.502 0.893 0.536 CB 1.244 29 residues pruned to eliminate duplicates Z: 50 45.214 2.133 0.698 0.674 0.959 0.816 CB 1.583 50 residues pruned to eliminate duplicates Z: 56 43.584 2.068 0.731 0.659 0.927 0.745 CB 1.528 56 residues pruned to eliminate duplicates Z: 90 46.133 2.091 0.632 0.557 0.921 0.629 CB 1.471 90 residues pruned to eliminate duplicates Z: 61 45.406 2.081 0.718 0.665 0.950 0.700 CB 1.481 61 residues pruned to eliminate duplicates Z: 60 43.901 2.105 0.629 0.657 0.932 0.729 CB 1.544 60 residues pruned to eliminate duplicates Z: 50 52.972 2.111 0.796 0.725 0.980 0.816 CB 1.664 50 residues pruned to eliminate duplicates Z: 19 25.464 2.100 1.215 0.579 0.889 0.611 CB 1.345 19 residues pruned to eliminate duplicates Z: 52 44.549 2.055 0.689 0.706 0.961 0.667 CB 1.551 52 residues pruned to eliminate duplicates Z: 50 50.958 2.105 0.759 0.721 1.000 0.612 CB 1.610 50 residues pruned to eliminate duplicates Z: 52 45.938 2.099 0.720 0.682 0.961 0.647 CB 1.570 52 residues pruned to eliminate duplicates Z: 52 42.727 2.068 0.673 0.708 0.941 0.686 CB 1.521 52 residues pruned to eliminate duplicates Z: 47 47.799 2.137 0.771 0.696 0.978 0.652 CB 1.591 47 residues pruned to eliminate duplicates Z: 51 46.728 2.066 0.669 0.742 0.960 0.700 CB 1.609 51 residues pruned to eliminate duplicates Z: 53 46.491 2.049 0.728 0.720 0.942 0.750 CB 1.584 53 residues pruned to eliminate duplicates Z: 50 47.533 2.100 0.698 0.729 0.959 0.735 CB 1.616 50 residues pruned to eliminate duplicates Z: 51 46.628 2.087 0.725 0.724 0.940 0.800 CB 1.591 51 residues pruned to eliminate duplicates Z: 53 48.233 2.083 0.796 0.695 0.962 0.712 CB 1.556 53 residues pruned to eliminate duplicates Z: 6 3.780 1.373 0.925 0.363 0.800 0.600 CB 0.926 6 residues pruned to eliminate duplicates Z: 47 49.140 2.138 0.749 0.695 0.978 0.761 CB 1.658 47 residues pruned to eliminate duplicates Z: 52 52.113 2.059 0.754 0.731 1.000 0.667 CB 1.642 52 residues pruned to eliminate duplicates Z: 51 50.750 2.090 0.735 0.726 0.980 0.760 CB 1.648 51 residues pruned to eliminate duplicates Z: 52 52.020 2.058 0.788 0.727 1.000 0.647 CB 1.613 52 residues pruned to eliminate duplicates Z: 52 48.819 2.054 0.738 0.728 0.961 0.608 CB 1.624 51 residues pruned to eliminate duplicates Z: 11 16.315 1.821 0.618 0.823 1.000 0.900 CA 1.323 11 residues pruned to eliminate duplicates Z: 35 35.883 2.045 0.593 0.707 0.971 0.735 CB 1.612 35 residues pruned to eliminate duplicates Z: 50 53.776 2.096 0.840 0.730 1.000 0.796 CB 1.619 51 residues pruned to eliminate duplicates Z: 10 12.200 1.997 0.425 0.530 0.889 0.556 CA 1.560 10 residues pruned to eliminate duplicates Z: 52 47.176 2.075 0.818 0.710 0.941 0.745 CB 1.537 52 residues pruned to eliminate duplicates Z: 48 47.704 2.102 0.848 0.694 0.957 0.723 CB 1.568 48 residues pruned to eliminate duplicates Z: 35 37.650 2.073 0.567 0.709 1.000 0.735 CB 1.645 35 residues pruned to eliminate duplicates Z: 60 46.854 2.104 0.727 0.658 0.949 0.746 CB 1.528 60 residues pruned to eliminate duplicates Z: 72 43.433 2.064 0.699 0.592 0.930 0.620 CB 1.448 72 residues pruned to eliminate duplicates Z: 50 51.507 2.096 0.841 0.733 0.980 0.714 CB 1.578 50 residues pruned to eliminate duplicates Z: 53 49.957 2.030 0.881 0.726 0.962 0.731 CB 1.539 52 residues pruned to eliminate duplicates Z: 19 27.344 1.883 0.611 0.891 1.000 0.722 CB 1.528 19 residues pruned to eliminate duplicates Z: 61 49.530 2.099 0.798 0.660 0.967 0.733 CB 1.511 61 residues pruned to eliminate duplicates Z: 51 51.001 2.063 0.848 0.717 1.000 0.640 CB 1.554 51 residues pruned to eliminate duplicates Z: 52 52.186 2.083 0.816 0.706 0.980 0.706 CB 1.633 52 residues pruned to eliminate duplicates Z: 60 50.119 2.125 0.815 0.662 0.966 0.678 CB 1.507 60 residues pruned to eliminate duplicates Z: 51 48.154 2.090 0.840 0.704 0.960 0.740 CB 1.532 51 residues pruned to eliminate duplicates Z: 34 40.503 2.068 0.660 0.736 1.000 0.758 CB 1.662 34 residues pruned to eliminate duplicates Z: 60 43.782 2.085 0.746 0.640 0.915 0.475 CB 1.501 60 residues pruned to eliminate duplicates Z: 50 55.632 2.099 0.902 0.725 1.000 0.673 CB 1.626 50 residues pruned to eliminate duplicates Z: 52 49.811 2.074 0.830 0.727 0.980 0.686 CB 1.528 52 residues pruned to eliminate duplicates Z: 51 52.056 2.093 0.802 0.734 0.980 0.680 CB 1.614 51 residues pruned to eliminate duplicates Z: 60 46.241 2.075 0.798 0.636 0.949 0.627 CB 1.496 60 residues pruned to eliminate duplicates Z: 52 55.570 2.063 0.898 0.736 1.000 0.667 CB 1.608 52 residues pruned to eliminate duplicates Z: 13 16.600 1.602 0.602 0.887 1.000 0.833 O 1.346 13 residues pruned to eliminate duplicates Z: 12 9.881 1.532 0.443 0.664 0.909 0.636 CA 1.273 12 residues pruned to eliminate duplicates Z: 11 14.981 1.657 0.481 0.834 1.000 0.900 CA 1.447 11 residues pruned to eliminate duplicates Z: 13 11.327 1.651 0.502 0.614 0.833 0.583 CA 1.421 13 residues pruned to eliminate duplicates Z: 12 10.852 1.586 0.748 0.727 0.727 0.273 CB 1.323 12 residues pruned to eliminate duplicates Z: 7 5.225 1.603 0.358 0.572 0.667 0.000 N 1.371 7 residues pruned to eliminate duplicates Z: 20 12.826 1.703 0.406 0.610 0.842 0.474 CB 1.315 20 residues pruned to eliminate duplicates Z: 13 11.039 1.635 0.483 0.674 0.833 0.167 CB 1.344 13 residues pruned to eliminate duplicates Z: 38 18.199 1.878 0.503 0.521 0.784 0.351 CB 1.325 38 residues pruned to eliminate duplicates Z: 15 10.574 1.615 0.350 0.655 0.857 0.214 CB 1.309 15 residues pruned to eliminate duplicates Z: 34 22.405 1.966 0.549 0.594 0.879 0.515 CB 1.332 34 residues pruned to eliminate duplicates Z: 34 23.046 1.959 0.651 0.559 0.879 0.515 CB 1.334 34 residues pruned to eliminate duplicates Z: 33 29.308 2.008 0.730 0.609 1.000 0.500 CB 1.345 33 residues pruned to eliminate duplicates 6 1.333 1.221 0.755 0.277 0.800 0.600 N 0.447 ? Z: 12 13.449 1.859 0.621 0.572 0.909 0.273 CB 1.380 12 residues pruned to eliminate duplicates Z: 31 23.193 1.979 0.655 0.617 0.867 0.567 CB 1.336 31 residues pruned to eliminate duplicates Z: 40 16.774 1.790 0.584 0.508 0.846 0.462 CB 1.111 40 residues pruned to eliminate duplicates Z: 40 24.010 1.943 0.613 0.559 0.846 0.359 CB 1.369 40 residues pruned to eliminate duplicates Z: 26 20.072 1.970 0.596 0.480 0.960 0.480 CB 1.357 26 residues pruned to eliminate duplicates Z: 32 19.863 1.959 0.727 0.448 0.871 0.484 CB 1.278 32 residues pruned to eliminate duplicates Z: 45 25.781 1.878 0.595 0.619 0.909 0.477 CB 1.276 45 residues pruned to eliminate duplicates Z: 28 19.274 2.048 0.528 0.487 0.889 0.481 CB 1.352 28 residues pruned to eliminate duplicates Z: 33 21.312 1.958 0.461 0.596 0.906 0.531 CB 1.325 33 residues pruned to eliminate duplicates Z: 25 21.074 1.984 0.755 0.469 0.875 0.458 CA 1.457 25 residues pruned to eliminate duplicates Z: 35 23.778 1.919 0.626 0.601 0.941 0.500 CB 1.261 35 residues pruned to eliminate duplicates Z: 24 17.040 1.932 0.736 0.480 0.826 0.391 CA 1.308 24 residues pruned to eliminate duplicates Z: 27 21.541 1.933 0.799 0.570 0.846 0.423 CB 1.342 27 residues pruned to eliminate duplicates Z: 26 22.512 2.086 0.553 0.535 0.920 0.440 CB 1.460 26 residues pruned to eliminate duplicates Z: 26 26.000 2.000 0.777 0.621 0.920 0.440 CB 1.418 26 residues pruned to eliminate duplicates Z: 21 20.505 2.098 0.846 0.534 0.800 0.350 CA 1.432 21 residues pruned to eliminate duplicates Z: 27 23.350 2.096 0.635 0.552 0.885 0.346 CB 1.435 27 residues pruned to eliminate duplicates Z: 32 19.570 1.930 0.568 0.475 0.903 0.323 CB 1.319 32 residues pruned to eliminate duplicates Z: 12 4.749 1.634 0.828 0.346 0.727 0.273 CB 0.779 12 residues pruned to eliminate duplicates Z: 11 4.711 1.647 0.817 0.436 0.800 0.500 CB 0.664 10 residues pruned to eliminate duplicates Z: 14 4.226 1.635 0.477 0.291 0.615 0.385 CB 0.998 18 residues pruned to eliminate duplicates Z: 6 2.704 1.639 0.149 0.621 0.800 0.400 CB 0.716 6 residues pruned to eliminate duplicates Z: 8 4.757 1.752 0.990 0.660 1.000 0.714 CB 0.445 8 residues pruned to eliminate duplicates Z: 7 3.211 1.556 0.621 0.272 0.667 0.333 CB 1.010 7 residues pruned to eliminate duplicates Z: 8 5.190 1.628 0.550 0.309 0.714 0.143 CB 1.345 8 residues pruned to eliminate duplicates Z: 38 15.562 1.879 0.518 0.398 0.730 0.351 CB 1.369 38 residues pruned to eliminate duplicates Z: 45 19.472 1.869 0.475 0.455 0.841 0.477 CB 1.325 45 residues pruned to eliminate duplicates Z: 116 85.762 2.237 1.008 0.713 0.922 0.617 CB 1.593 116 residues pruned to eliminate duplicates Z: 102 87.768 2.281 0.961 0.724 0.960 0.634 CB 1.661 101 residues pruned to eliminate duplicates Z: 7 7.579 1.582 0.618 0.505 1.000 0.333 CB 1.203 7 residues pruned to eliminate duplicates Z: 6 4.022 1.421 0.291 0.466 1.000 0.800 CA 1.015 Z: 6 3.561 1.493 0.117 0.342 1.000 0.600 N 1.135 Z: 19 26.833 2.117 0.709 0.798 1.000 0.722 CB 1.346 19 residues pruned to eliminate duplicates Z: 32 30.202 2.059 0.781 0.662 0.968 0.581 CB 1.316 32 residues pruned to eliminate duplicates Z: 39 37.267 2.168 0.727 0.679 0.921 0.711 CB 1.487 39 residues pruned to eliminate duplicates Z: 41 34.516 2.067 0.782 0.671 0.925 0.600 CB 1.367 41 residues pruned to eliminate duplicates Z: 39 38.678 2.149 0.867 0.680 0.895 0.500 CB 1.481 39 residues pruned to eliminate duplicates Z: 41 36.330 2.126 0.770 0.659 0.950 0.500 CB 1.386 41 residues pruned to eliminate duplicates Z: 16 28.781 2.189 0.988 0.927 0.933 0.667 CB 1.282 16 residues pruned to eliminate duplicates Z: 38 36.503 2.160 0.759 0.660 0.919 0.568 CB 1.482 38 residues pruned to eliminate duplicates Z: 41 37.308 2.115 0.803 0.645 0.925 0.500 CB 1.461 41 residues pruned to eliminate duplicates Z: 40 34.706 2.101 0.806 0.651 0.897 0.590 CB 1.418 40 residues pruned to eliminate duplicates Z: 36 35.989 2.058 0.893 0.662 0.971 0.571 CB 1.382 37 residues pruned to eliminate duplicates Z: 16 24.371 2.140 1.003 0.893 0.933 0.467 CB 1.129 16 residues pruned to eliminate duplicates Z: 39 39.927 2.166 0.841 0.672 0.947 0.447 CB 1.464 39 residues pruned to eliminate duplicates Z: 38 37.874 2.184 0.770 0.696 0.919 0.432 CB 1.465 38 residues pruned to eliminate duplicates Z: 39 41.292 2.129 0.854 0.672 0.974 0.395 CB 1.487 39 residues pruned to eliminate duplicates Z: 40 37.541 2.141 0.890 0.640 0.923 0.436 CB 1.411 40 residues pruned to eliminate duplicates Z: 39 29.327 1.975 0.838 0.633 0.895 0.421 CB 1.292 39 residues pruned to eliminate duplicates Z: 38 25.819 2.039 0.731 0.632 0.838 0.324 CB 1.268 38 residues pruned to eliminate duplicates Z: 39 39.533 2.148 0.887 0.681 0.921 0.632 CB 1.454 39 residues pruned to eliminate duplicates Z: 137 83.934 2.180 0.876 0.677 0.934 0.654 CB 1.602 137 residues pruned to eliminate duplicates Z: 13 17.297 1.877 0.698 0.672 0.917 0.500 CA 1.458 13 residues pruned to eliminate duplicates Z: 39 37.476 2.128 0.806 0.693 0.921 0.474 CB 1.439 39 residues pruned to eliminate duplicates Z: 104 85.521 2.242 1.054 0.719 0.922 0.612 CB 1.628 104 residues pruned to eliminate duplicates Z: 25 20.360 2.078 0.726 0.535 0.792 0.458 CB 1.415 25 residues pruned to eliminate duplicates Z: 39 41.949 2.162 0.840 0.707 0.947 0.579 CB 1.497 39 residues pruned to eliminate duplicates Z: 102 85.247 2.263 0.987 0.721 0.941 0.614 CB 1.643 102 residues pruned to eliminate duplicates Z: 41 34.617 2.122 0.693 0.664 0.900 0.600 CB 1.454 41 residues pruned to eliminate duplicates Z: 16 16.549 2.030 0.737 0.491 0.800 0.533 CA 1.529 16 residues pruned to eliminate duplicates Z: 40 39.485 2.143 0.817 0.671 0.923 0.462 CB 1.502 40 residues pruned to eliminate duplicates Z: 23 21.754 2.073 0.720 0.621 0.773 0.455 CB 1.502 23 residues pruned to eliminate duplicates Z: 39 33.427 2.053 0.829 0.664 0.895 0.553 CB 1.386 39 residues pruned to eliminate duplicates Z: 102 79.812 2.186 0.872 0.710 0.970 0.634 CB 1.653 102 residues pruned to eliminate duplicates Z: 61 89.806 2.383 1.139 0.777 0.983 0.683 CB 1.812 61 residues pruned to eliminate duplicates Z: 66 84.042 2.347 1.144 0.744 0.954 0.677 CB 1.746 66 residues pruned to eliminate duplicates Z: 45 76.624 2.380 1.177 0.835 0.977 0.659 CB 1.709 45 residues pruned to eliminate duplicates Z: 50 64.665 2.281 1.037 0.772 0.980 0.653 CB 1.595 50 residues pruned to eliminate duplicates Z: 73 82.095 2.310 0.991 0.741 0.958 0.667 CB 1.769 73 residues pruned to eliminate duplicates Z: 60 89.309 2.386 1.098 0.805 0.983 0.661 CB 1.811 60 residues pruned to eliminate duplicates Z: 74 83.463 2.283 1.046 0.765 0.959 0.671 CB 1.723 74 residues pruned to eliminate duplicates Z: 63 85.159 2.346 1.118 0.764 0.968 0.677 CB 1.779 63 residues pruned to eliminate duplicates Z: 61 86.853 2.364 1.126 0.790 0.967 0.617 CB 1.789 61 residues pruned to eliminate duplicates Z: 78 78.326 2.235 1.036 0.738 0.935 0.610 CA 1.694 78 residues pruned to eliminate duplicates Z: 65 78.281 2.310 1.069 0.740 0.953 0.656 CB 1.732 65 residues pruned to eliminate duplicates Z: 63 85.805 2.345 1.137 0.765 0.935 0.726 CB 1.837 63 residues pruned to eliminate duplicates Z: 120 83.350 2.192 0.854 0.693 0.941 0.697 CA 1.673 120 residues pruned to eliminate duplicates Z: 61 88.535 2.380 1.122 0.785 0.967 0.683 CB 1.821 61 residues pruned to eliminate duplicates Z: 49 62.642 2.308 1.122 0.740 0.896 0.625 CB 1.662 49 residues pruned to eliminate duplicates Z: 64 82.371 2.318 1.135 0.778 0.952 0.587 CB 1.723 64 residues pruned to eliminate duplicates Z: 48 72.628 2.355 1.049 0.766 0.936 0.532 CA 1.852 48 residues pruned to eliminate duplicates Z: 77 78.039 2.296 1.002 0.713 0.921 0.632 CB 1.743 77 residues pruned to eliminate duplicates Z: 64 80.427 2.331 1.089 0.736 0.968 0.571 CB 1.740 64 residues pruned to eliminate duplicates Z: 47 71.654 2.370 1.080 0.759 0.935 0.609 CA 1.821 47 residues pruned to eliminate duplicates Z: 63 80.446 2.341 1.060 0.763 0.952 0.645 CB 1.763 63 residues pruned to eliminate duplicates Z: 65 78.012 2.310 1.117 0.729 0.922 0.578 CB 1.760 65 residues pruned to eliminate duplicates Z: 66 75.074 2.319 1.032 0.718 0.923 0.585 CB 1.757 66 residues pruned to eliminate duplicates Z: 63 76.815 2.322 1.044 0.764 0.935 0.597 CB 1.738 63 residues pruned to eliminate duplicates Z: 46 74.360 2.360 1.096 0.782 0.933 0.667 CB 1.873 46 residues pruned to eliminate duplicates Z: 64 82.242 2.328 1.071 0.754 0.952 0.540 CB 1.799 64 residues pruned to eliminate duplicates Z: 94 79.561 2.230 0.964 0.700 0.946 0.581 CB 1.659 94 residues pruned to eliminate duplicates Z: 75 80.083 2.303 1.108 0.731 0.905 0.541 CB 1.721 75 residues pruned to eliminate duplicates Z: 103 83.829 2.193 0.988 0.721 0.941 0.618 CB 1.657 103 residues pruned to eliminate duplicates Z: 65 75.437 2.286 1.104 0.733 0.906 0.547 CB 1.753 65 residues pruned to eliminate duplicates Z: 63 83.184 2.339 1.134 0.752 0.952 0.565 CB 1.776 63 residues pruned to eliminate duplicates Z: 64 77.721 2.318 1.155 0.753 0.921 0.444 CB 1.699 64 residues pruned to eliminate duplicates Z: 62 85.938 2.358 1.177 0.776 0.951 0.525 CB 1.766 62 residues pruned to eliminate duplicates Z: 62 84.286 2.350 1.129 0.784 0.951 0.475 CB 1.767 62 residues pruned to eliminate duplicates Z: 70 70.071 2.240 1.020 0.692 0.913 0.391 CB 1.714 70 residues pruned to eliminate duplicates Z: 65 78.160 2.295 1.051 0.742 0.938 0.422 CB 1.782 65 residues pruned to eliminate duplicates Z: 69 76.744 2.316 1.061 0.718 0.941 0.471 CB 1.701 69 residues pruned to eliminate duplicates Z: 61 76.557 2.352 1.058 0.784 0.900 0.483 CB 1.768 61 residues pruned to eliminate duplicates Z: 36 40.625 2.155 0.861 0.649 0.914 0.629 CB 1.629 36 residues pruned to eliminate duplicates Z: 76 78.619 2.276 1.009 0.774 0.933 0.573 CB 1.669 76 residues pruned to eliminate duplicates Z: 63 84.801 2.325 1.106 0.786 0.968 0.468 CB 1.767 63 residues pruned to eliminate duplicates Z: 64 78.137 2.316 1.027 0.764 0.952 0.508 CB 1.743 64 residues pruned to eliminate duplicates Z: 65 76.814 2.311 1.090 0.765 0.922 0.391 CB 1.705 65 residues pruned to eliminate duplicates Z: 64 79.069 2.321 1.034 0.755 0.952 0.429 CB 1.765 64 residues pruned to eliminate duplicates Z: 62 91.029 2.348 1.181 0.800 0.984 0.639 CB 1.780 62 residues pruned to eliminate duplicates Z: 78 78.511 2.263 1.064 0.746 0.935 0.571 CB 1.643 78 residues pruned to eliminate duplicates Z: 92 66.781 2.184 0.918 0.663 0.890 0.505 CB 1.615 92 residues pruned to eliminate duplicates Z: 62 89.054 2.364 1.218 0.779 0.951 0.574 CB 1.788 62 residues pruned to eliminate duplicates Z: 63 80.794 2.333 1.054 0.781 0.952 0.500 CB 1.756 63 residues pruned to eliminate duplicates Z: 64 83.872 2.327 1.133 0.756 0.952 0.460 CB 1.779 64 residues pruned to eliminate duplicates Z: 64 74.694 2.311 1.063 0.745 0.921 0.429 CB 1.722 64 residues pruned to eliminate duplicates Z: 64 78.513 2.327 1.050 0.752 0.937 0.524 CB 1.768 64 residues pruned to eliminate duplicates Z: 96 70.818 2.209 0.849 0.680 0.926 0.495 CB 1.626 96 residues pruned to eliminate duplicates Z: 64 76.836 2.323 1.038 0.760 0.905 0.460 CB 1.794 64 residues pruned to eliminate duplicates Z: 67 78.715 2.302 1.073 0.746 0.939 0.364 CB 1.734 67 residues pruned to eliminate duplicates Z: 64 75.643 2.296 1.047 0.739 0.952 0.492 CB 1.718 64 residues pruned to eliminate duplicates Z: 61 86.275 2.358 1.169 0.792 0.967 0.450 CB 1.744 61 residues pruned to eliminate duplicates Z: 64 81.188 2.322 0.991 0.762 0.984 0.508 CB 1.782 64 residues pruned to eliminate duplicates Z: 65 81.790 2.309 1.154 0.779 0.953 0.391 CB 1.686 65 residues pruned to eliminate duplicates Z: 74 81.893 2.295 1.058 0.738 0.973 0.479 CB 1.686 74 residues pruned to eliminate duplicates Z: 78 80.420 2.262 1.008 0.749 0.948 0.558 CB 1.704 78 residues pruned to eliminate duplicates Z: 102 86.670 2.210 0.952 0.747 0.941 0.574 CB 1.705 102 residues pruned to eliminate duplicates Z: 115 73.228 2.184 0.807 0.705 0.912 0.544 CB 1.580 115 residues pruned to eliminate duplicates Z: 15 21.080 1.886 0.735 0.787 0.929 0.643 CB 1.440 15 residues pruned to eliminate duplicates Z: 115 83.091 2.186 0.888 0.711 0.956 0.579 CB 1.629 115 residues pruned to eliminate duplicates Z: 15 21.551 1.957 0.677 0.730 1.000 0.786 CB 1.427 15 residues pruned to eliminate duplicates Z: 89 79.776 2.231 1.016 0.724 0.943 0.489 CB 1.637 89 residues pruned to eliminate duplicates Z: 14 21.315 2.021 0.671 0.731 0.923 0.615 CB 1.540 14 residues pruned to eliminate duplicates Z: 19 15.423 1.892 0.510 0.647 0.833 0.500 CB 1.332 19 residues pruned to eliminate duplicates Z: 79 81.461 2.251 1.071 0.744 0.949 0.436 CB 1.677 79 residues pruned to eliminate duplicates Z: 42 30.670 1.947 0.552 0.662 0.878 0.707 CA 1.553 42 residues pruned to eliminate duplicates Z: 49 33.150 1.909 0.704 0.634 0.896 0.604 CB 1.447 49 residues pruned to eliminate duplicates Z: 76 74.416 2.229 1.051 0.747 0.960 0.560 CB 1.570 76 residues pruned to eliminate duplicates Z: 117 74.161 2.167 0.799 0.704 0.931 0.560 CB 1.576 117 residues pruned to eliminate duplicates Z: 50 33.458 1.971 0.550 0.629 0.939 0.694 CB 1.477 50 residues pruned to eliminate duplicates Z: 50 37.851 1.985 0.678 0.641 0.939 0.673 CA 1.516 50 residues pruned to eliminate duplicates Z: 118 77.652 2.160 0.815 0.701 0.940 0.607 CB 1.621 118 residues pruned to eliminate duplicates Z: 92 68.860 2.167 0.857 0.678 0.912 0.593 CB 1.668 92 residues pruned to eliminate duplicates Z: 27 27.685 1.979 0.698 0.692 0.885 0.731 CA 1.532 27 residues pruned to eliminate duplicates Z: 32 32.244 2.057 0.613 0.610 0.968 0.710 CA 1.625 32 residues pruned to eliminate duplicates Z: 42 34.069 2.039 0.620 0.616 0.951 0.707 CA 1.518 42 residues pruned to eliminate duplicates Z: 43 32.858 2.042 0.547 0.623 0.952 0.690 CA 1.501 43 residues pruned to eliminate duplicates Z: 122 77.754 2.172 0.818 0.689 0.926 0.570 CB 1.626 122 residues pruned to eliminate duplicates Z: 40 34.734 2.103 0.585 0.603 0.949 0.692 CA 1.596 40 residues pruned to eliminate duplicates Z: 32 31.015 2.070 0.641 0.606 0.935 0.774 CB 1.585 32 residues pruned to eliminate duplicates Z: 29 28.967 1.952 0.819 0.660 0.893 0.571 CA 1.489 29 residues pruned to eliminate duplicates Z: 43 32.826 2.004 0.675 0.598 0.929 0.667 CA 1.480 43 residues pruned to eliminate duplicates Z: 26 30.953 1.994 0.845 0.694 0.920 0.760 CA 1.532 26 residues pruned to eliminate duplicates Z: 41 32.792 2.057 0.595 0.601 0.950 0.675 CA 1.511 41 residues pruned to eliminate duplicates Z: 30 28.818 1.922 0.725 0.692 0.897 0.621 CA 1.511 30 residues pruned to eliminate duplicates Z: 45 33.754 2.022 0.620 0.629 0.909 0.727 CA 1.514 45 residues pruned to eliminate duplicates Z: 86 52.162 2.065 0.745 0.631 0.894 0.600 CB 1.553 86 residues pruned to eliminate duplicates Z: 41 34.181 2.089 0.557 0.620 0.950 0.675 CA 1.562 41 residues pruned to eliminate duplicates Z: 28 31.458 1.918 0.828 0.679 0.963 0.519 CA 1.521 28 residues pruned to eliminate duplicates Z: 26 32.157 1.998 0.797 0.709 0.960 0.600 CA 1.543 26 residues pruned to eliminate duplicates Z: 32 31.649 2.058 0.729 0.585 0.935 0.710 CA 1.573 32 residues pruned to eliminate duplicates Z: 43 34.580 2.059 0.606 0.627 0.929 0.667 CA 1.542 43 residues pruned to eliminate duplicates Z: 60 42.140 1.978 0.760 0.632 0.932 0.542 CB 1.494 60 residues pruned to eliminate duplicates Z: 55 36.880 2.013 0.711 0.578 0.852 0.537 CB 1.587 55 residues pruned to eliminate duplicates Z: 40 34.571 2.113 0.606 0.636 0.923 0.564 CA 1.555 40 residues pruned to eliminate duplicates Z: 42 35.902 2.055 0.668 0.635 0.951 0.634 CA 1.516 42 residues pruned to eliminate duplicates Z: 40 38.770 2.120 0.704 0.623 0.949 0.590 CA 1.613 40 residues pruned to eliminate duplicates Z: 42 38.316 2.065 0.689 0.666 0.951 0.707 CA 1.547 42 residues pruned to eliminate duplicates Z: 34 28.104 1.990 0.727 0.602 0.909 0.545 CB 1.421 34 residues pruned to eliminate duplicates Z: 9 5.590 2.070 0.193 0.335 0.875 0.625 CB 1.095 9 residues pruned to eliminate duplicates Z: 8 9.667 2.176 0.574 0.385 1.000 0.571 CB 1.206 8 residues pruned to eliminate duplicates Z: 17 19.092 2.134 0.479 0.590 0.938 0.938 CA 1.479 17 residues pruned to eliminate duplicates Z: 9 5.209 2.082 0.326 0.309 0.875 0.625 CB 0.942 9 residues pruned to eliminate duplicates Z: 17 15.543 2.223 0.167 0.535 0.938 0.875 CA 1.544 17 residues pruned to eliminate duplicates Z: 17 16.201 2.158 0.293 0.569 0.938 0.750 CA 1.448 17 residues pruned to eliminate duplicates Z: 18 16.080 2.095 0.414 0.564 0.941 0.765 CB 1.315 18 residues pruned to eliminate duplicates Z: 41 37.658 2.086 0.690 0.650 0.950 0.625 CA 1.546 41 residues pruned to eliminate duplicates Z: 17 17.108 2.214 0.369 0.508 0.938 0.750 CB 1.492 17 residues pruned to eliminate duplicates Z: 17 16.901 2.174 0.445 0.545 0.938 0.750 CB 1.373 17 residues pruned to eliminate duplicates Z: 18 13.385 2.111 0.300 0.488 0.882 0.588 CB 1.357 18 residues pruned to eliminate duplicates Z: 7 12.252 1.945 0.569 0.699 1.000 0.667 CA 1.367 7 residues pruned to eliminate duplicates Z: 9 7.839 1.638 0.185 0.883 1.000 0.625 CB 1.033 9 residues pruned to eliminate duplicates Z: 18 15.169 1.851 0.376 0.672 1.000 0.706 CB 1.233 18 residues pruned to eliminate duplicates Z: 15 8.653 1.731 0.329 0.577 0.857 0.643 CB 1.090 15 residues pruned to eliminate duplicates Z: 18 18.094 1.860 0.560 0.654 1.000 0.529 CB 1.310 18 residues pruned to eliminate duplicates Z: 6 6.317 1.805 0.320 0.778 0.800 0.000 CB 1.160 6 residues pruned to eliminate duplicates Z: 16 17.679 1.950 0.566 0.688 0.933 0.800 CB 1.348 17 residues pruned to eliminate duplicates Z: 15 15.143 1.700 0.485 0.894 1.000 0.714 CB 1.150 15 residues pruned to eliminate duplicates Z: 19 18.469 1.834 0.770 0.692 0.944 0.556 CB 1.191 18 residues pruned to eliminate duplicates Z: 14 14.333 1.769 0.528 0.878 1.000 0.769 CB 1.067 14 residues pruned to eliminate duplicates Z: 17 19.304 1.923 0.849 0.616 0.938 0.500 CB 1.297 17 residues pruned to eliminate duplicates Z: 13 17.752 1.850 0.739 0.884 0.917 0.833 CB 1.255 13 residues pruned to eliminate duplicates Z: 13 19.315 1.939 0.785 0.740 1.000 0.750 CB 1.299 13 residues pruned to eliminate duplicates Z: 18 19.352 1.894 0.737 0.699 0.941 0.706 CB 1.264 19 residues pruned to eliminate duplicates Z: 6 5.888 1.837 0.509 0.322 0.800 0.400 CB 1.445 6 residues pruned to eliminate duplicates Z: 19 17.441 1.853 0.619 0.694 0.944 0.667 CB 1.215 19 residues pruned to eliminate duplicates Z: 18 19.066 1.887 0.753 0.736 0.941 0.765 CB 1.202 18 residues pruned to eliminate duplicates Z: 36 23.688 2.172 0.446 0.411 0.943 0.457 CB 1.484 36 residues pruned to eliminate duplicates Z: 18 10.368 2.039 0.441 0.284 0.824 0.647 CB 1.326 18 residues pruned to eliminate duplicates Z: 29 22.022 2.096 0.592 0.473 0.893 0.429 CB 1.435 29 residues pruned to eliminate duplicates Z: 27 25.145 2.167 0.630 0.492 0.923 0.500 CB 1.524 27 residues pruned to eliminate duplicates Z: 18 13.166 2.068 0.499 0.296 0.941 0.471 CB 1.376 18 residues pruned to eliminate duplicates Z: 86 42.861 2.167 0.596 0.506 0.871 0.565 CB 1.535 86 residues pruned to eliminate duplicates Z: 83 37.209 2.147 0.605 0.420 0.854 0.671 CB 1.518 83 residues pruned to eliminate duplicates Z: 39 23.853 2.115 0.572 0.424 0.868 0.605 CB 1.451 39 residues pruned to eliminate duplicates Z: 41 24.776 2.142 0.602 0.421 0.875 0.575 CB 1.417 41 residues pruned to eliminate duplicates Z: 30 20.243 2.139 0.413 0.427 0.897 0.586 CB 1.496 30 residues pruned to eliminate duplicates Z: 12 7.104 1.927 0.710 0.282 0.818 0.727 CB 1.016 12 residues pruned to eliminate duplicates Z: 86 45.651 2.184 0.593 0.520 0.894 0.612 CB 1.560 86 residues pruned to eliminate duplicates Z: 14 9.214 2.089 0.717 0.300 0.769 0.462 CB 1.157 14 residues pruned to eliminate duplicates Z: 39 26.510 2.166 0.630 0.402 0.895 0.553 CB 1.510 39 residues pruned to eliminate duplicates Z: 34 25.668 2.172 0.754 0.483 0.879 0.606 CB 1.357 34 residues pruned to eliminate duplicates Z: 36 22.168 2.098 0.643 0.464 0.857 0.714 CB 1.316 36 residues pruned to eliminate duplicates Z: 29 24.877 2.148 0.689 0.439 0.929 0.464 CB 1.486 29 residues pruned to eliminate duplicates Z: 36 28.254 2.139 0.678 0.495 0.914 0.543 CB 1.464 36 residues pruned to eliminate duplicates Z: 28 23.839 2.178 0.590 0.457 0.926 0.556 CB 1.495 28 residues pruned to eliminate duplicates Z: 83 44.748 2.145 0.654 0.524 0.902 0.671 CB 1.508 83 residues pruned to eliminate duplicates Z: 24 23.491 2.181 0.520 0.549 0.957 0.696 CB 1.473 24 residues pruned to eliminate duplicates Z: 38 20.243 2.159 0.463 0.374 0.838 0.514 CB 1.439 38 residues pruned to eliminate duplicates Z: 26 24.303 2.177 0.680 0.526 0.920 0.680 CB 1.408 26 residues pruned to eliminate duplicates Z: 126 52.427 2.176 0.651 0.456 0.896 0.552 CB 1.524 175 residues pruned to eliminate duplicates Z: 11 28.048 2.082 0.896 0.883 1.000 0.800 CA 1.624 11 residues pruned to eliminate duplicates Z: 42 25.347 2.103 0.613 0.431 0.878 0.512 CB 1.428 42 residues pruned to eliminate duplicates Z: 33 26.642 2.166 0.720 0.446 0.875 0.594 CB 1.527 33 residues pruned to eliminate duplicates Z: 44 19.876 2.037 0.467 0.395 0.791 0.465 CB 1.433 44 residues pruned to eliminate duplicates Z: 75 49.411 2.154 0.610 0.615 0.932 0.676 CB 1.594 75 residues pruned to eliminate duplicates Z: 42 24.697 2.134 0.586 0.422 0.854 0.585 CB 1.448 42 residues pruned to eliminate duplicates Z: 41 24.324 2.125 0.564 0.411 0.850 0.475 CB 1.495 41 residues pruned to eliminate duplicates Z: 32 30.667 2.314 0.649 0.516 0.871 0.645 CB 1.632 32 residues pruned to eliminate duplicates Z: 85 48.531 2.192 0.616 0.524 0.917 0.619 CB 1.592 85 residues pruned to eliminate duplicates Z: 39 21.422 2.101 0.567 0.408 0.868 0.474 CB 1.338 39 residues pruned to eliminate duplicates Z: 25 23.552 2.160 0.583 0.553 0.833 0.542 CB 1.603 25 residues pruned to eliminate duplicates Z: 75 45.815 2.146 0.566 0.608 0.892 0.622 CB 1.603 75 residues pruned to eliminate duplicates Z: 76 46.595 2.135 0.557 0.608 0.907 0.640 CB 1.611 76 residues pruned to eliminate duplicates Z: 28 18.006 2.258 0.390 0.447 0.778 0.444 CB 1.499 28 residues pruned to eliminate duplicates Z: 68 42.976 2.234 0.691 0.494 0.866 0.552 CB 1.615 68 residues pruned to eliminate duplicates Z: 88 44.006 2.135 0.602 0.501 0.920 0.632 CB 1.499 88 residues pruned to eliminate duplicates Z: 58 38.909 2.030 0.580 0.620 0.930 0.649 CB 1.543 58 residues pruned to eliminate duplicates Z: 25 28.659 2.226 0.759 0.544 0.875 0.542 CA 1.636 25 residues pruned to eliminate duplicates Z: 59 36.292 2.228 0.552 0.493 0.862 0.534 CB 1.610 59 residues pruned to eliminate duplicates Z: 91 51.860 2.144 0.634 0.567 0.944 0.578 CB 1.549 91 residues pruned to eliminate duplicates Z: 60 33.461 2.191 0.596 0.438 0.831 0.525 CB 1.599 60 residues pruned to eliminate duplicates Z: 53 35.694 2.053 0.648 0.556 0.904 0.654 CB 1.532 53 residues pruned to eliminate duplicates Z: 85 42.155 2.168 0.508 0.511 0.893 0.607 CB 1.560 85 residues pruned to eliminate duplicates Z: 63 35.565 2.147 0.529 0.522 0.887 0.613 CB 1.518 63 residues pruned to eliminate duplicates Z: 71 42.195 2.147 0.591 0.556 0.900 0.629 CB 1.554 71 residues pruned to eliminate duplicates Z: 72 45.672 2.159 0.623 0.575 0.930 0.592 CB 1.548 72 residues pruned to eliminate duplicates Z: 24 31.081 2.272 0.832 0.565 0.870 0.609 CB 1.682 24 residues pruned to eliminate duplicates Z: 63 37.711 2.135 0.583 0.535 0.887 0.661 CB 1.544 63 residues pruned to eliminate duplicates Z: 50 37.778 2.142 0.617 0.600 0.918 0.714 CB 1.543 50 residues pruned to eliminate duplicates Z: 51 39.711 2.113 0.688 0.608 0.900 0.700 CB 1.579 51 residues pruned to eliminate duplicates Z: 71 44.203 2.178 0.577 0.571 0.900 0.643 CB 1.595 71 residues pruned to eliminate duplicates Z: 87 42.169 2.144 0.678 0.506 0.837 0.535 CB 1.501 87 residues pruned to eliminate duplicates Z: 85 45.355 2.161 0.584 0.511 0.929 0.571 CB 1.541 85 residues pruned to eliminate duplicates Z: 56 41.235 2.076 0.660 0.667 0.909 0.673 CB 1.520 56 residues pruned to eliminate duplicates Z: 43 36.038 2.295 0.729 0.531 0.833 0.429 CB 1.632 43 residues pruned to eliminate duplicates Z: 92 49.396 2.121 0.672 0.566 0.901 0.626 CB 1.520 92 residues pruned to eliminate duplicates Z: 46 43.797 2.132 0.796 0.647 0.933 0.667 CB 1.593 46 residues pruned to eliminate duplicates Z: 81 46.756 2.134 0.777 0.512 0.900 0.550 CB 1.513 81 residues pruned to eliminate duplicates Z: 91 46.474 2.133 0.609 0.552 0.878 0.611 CB 1.547 91 residues pruned to eliminate duplicates Z: 46 37.366 2.113 0.674 0.639 0.911 0.733 CB 1.517 46 residues pruned to eliminate duplicates Z: 74 46.921 2.137 0.651 0.601 0.904 0.575 CB 1.564 74 residues pruned to eliminate duplicates Z: 55 45.732 2.082 0.718 0.659 0.944 0.648 CB 1.590 55 residues pruned to eliminate duplicates Z: 84 35.638 2.132 0.593 0.424 0.843 0.554 CB 1.478 84 residues pruned to eliminate duplicates Z: 74 47.992 2.153 0.672 0.624 0.877 0.658 CB 1.584 74 residues pruned to eliminate duplicates Z: 91 45.273 2.106 0.670 0.548 0.844 0.556 CB 1.533 91 residues pruned to eliminate duplicates Z: 91 50.050 2.144 0.659 0.569 0.900 0.611 CB 1.542 91 residues pruned to eliminate duplicates Z: 65 46.415 2.090 0.716 0.608 0.938 0.594 CB 1.557 65 residues pruned to eliminate duplicates Z: 39 31.303 1.921 0.634 0.636 0.974 0.684 CB 1.463 39 residues pruned to eliminate duplicates Z: 47 43.810 2.083 0.836 0.618 0.957 0.630 CB 1.580 47 residues pruned to eliminate duplicates Z: 86 49.772 2.187 0.705 0.510 0.918 0.576 CB 1.562 86 residues pruned to eliminate duplicates Z: 75 48.147 2.167 0.657 0.610 0.892 0.622 CB 1.574 75 residues pruned to eliminate duplicates Z: 59 33.453 2.127 0.627 0.502 0.862 0.552 CB 1.470 59 residues pruned to eliminate duplicates Z: 47 43.028 2.116 0.841 0.619 0.957 0.696 CB 1.522 47 residues pruned to eliminate duplicates Z: 44 43.782 2.129 0.823 0.658 0.953 0.651 CB 1.558 44 residues pruned to eliminate duplicates Z: 90 43.626 2.133 0.665 0.499 0.854 0.584 CB 1.527 90 residues pruned to eliminate duplicates Z: 54 37.159 2.101 0.731 0.568 0.887 0.566 CB 1.481 54 residues pruned to eliminate duplicates Z: 68 49.005 2.207 0.740 0.579 0.910 0.716 CB 1.588 68 residues pruned to eliminate duplicates Z: 54 38.561 2.120 0.761 0.548 0.887 0.623 CB 1.527 54 residues pruned to eliminate duplicates Z: 75 49.674 2.118 0.785 0.605 0.905 0.581 CB 1.526 75 residues pruned to eliminate duplicates Z: 57 45.950 2.056 0.809 0.657 0.929 0.661 CB 1.537 57 residues pruned to eliminate duplicates Z: 67 45.066 2.095 0.767 0.578 0.924 0.530 CB 1.504 67 residues pruned to eliminate duplicates Z: 60 46.938 2.139 0.732 0.638 0.932 0.678 CB 1.556 60 residues pruned to eliminate duplicates Z: 76 53.646 2.123 0.818 0.609 0.920 0.627 CB 1.572 76 residues pruned to eliminate duplicates Z: 75 56.741 2.167 0.813 0.622 0.932 0.649 CB 1.606 75 residues pruned to eliminate duplicates Z: 76 50.466 2.131 0.705 0.625 0.933 0.667 CB 1.528 76 residues pruned to eliminate duplicates Z: 85 51.113 2.143 0.710 0.568 0.929 0.595 CB 1.535 85 residues pruned to eliminate duplicates Z: 23 17.307 1.845 0.316 0.597 1.000 0.636 CB 1.385 23 residues pruned to eliminate duplicates Z: 24 17.343 1.869 0.295 0.606 0.913 0.609 CB 1.479 24 residues pruned to eliminate duplicates Z: 31 23.621 1.977 0.465 0.612 0.900 0.400 CA 1.489 31 residues pruned to eliminate duplicates Z: 22 18.507 1.839 0.339 0.639 1.000 0.762 CB 1.440 22 residues pruned to eliminate duplicates Z: 12 14.413 1.703 0.420 0.894 0.909 0.727 CB 1.418 12 residues pruned to eliminate duplicates Z: 13 18.173 1.740 0.484 0.833 1.000 0.667 CA 1.524 13 residues pruned to eliminate duplicates Z: 13 15.768 1.728 0.495 0.867 0.917 0.667 CB 1.407 13 residues pruned to eliminate duplicates Z: 12 15.353 1.772 0.342 0.895 0.909 0.636 CA 1.534 12 residues pruned to eliminate duplicates Z: 14 16.727 1.767 0.351 0.776 1.000 0.385 N 1.522 14 residues pruned to eliminate duplicates Z: 24 17.177 1.873 0.253 0.612 0.913 0.609 CB 1.503 24 residues pruned to eliminate duplicates Z: 22 17.512 1.914 0.246 0.667 0.952 0.714 CB 1.443 22 residues pruned to eliminate duplicates Z: 23 18.117 1.888 0.275 0.639 0.955 0.727 CB 1.477 23 residues pruned to eliminate duplicates Z: 15 14.011 1.763 0.303 0.760 0.929 0.786 CB 1.393 15 residues pruned to eliminate duplicates Z: 20 17.103 1.873 0.224 0.707 1.000 0.632 CB 1.418 20 residues pruned to eliminate duplicates Z: 31 24.116 1.974 0.395 0.661 0.933 0.633 CB 1.476 37 residues pruned to eliminate duplicates Z: 6 3.889 1.528 0.562 0.358 1.000 0.400 CA 0.850 6 residues pruned to eliminate duplicates Z: 34 19.486 1.918 0.428 0.546 0.909 0.485 CB 1.303 17 residues pruned to eliminate duplicates Z: 9 7.315 1.741 0.102 0.574 0.875 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 23 21.882 1.939 0.294 0.734 1.000 0.727 CB 1.506 23 residues pruned to eliminate duplicates Z: 32 21.527 1.988 0.321 0.669 0.839 0.613 CB 1.502 32 residues pruned to eliminate duplicates Z: 18 13.459 2.013 0.551 0.526 0.706 0.353 CB 1.443 18 residues pruned to eliminate duplicates Z: 16 16.223 2.048 0.449 0.602 0.867 0.200 CA 1.478 16 residues pruned to eliminate duplicates Z: 9 7.746 1.871 0.504 0.624 0.625 0.000 CA 1.386 Z: 10 9.875 1.817 0.890 0.755 0.667 0.111 CA 1.146 9 residues pruned to eliminate duplicates Z: 7 12.408 2.121 0.827 0.845 0.833 0.333 CA 1.166 9 residues pruned to eliminate duplicates Z: 11 8.268 1.867 0.391 0.614 0.800 0.100 CA 1.130 11 residues pruned to eliminate duplicates Z: 45 29.686 1.984 0.492 0.642 0.932 0.591 CB 1.421 56 residues pruned to eliminate duplicates Z: 15 15.764 1.937 0.489 0.705 0.929 0.786 CB 1.305 15 residues pruned to eliminate duplicates Z: 14 19.578 1.934 0.754 0.691 1.000 0.769 CB 1.344 14 residues pruned to eliminate duplicates Z: 24 19.649 1.932 0.768 0.574 0.913 0.609 CB 1.223 24 residues pruned to eliminate duplicates Z: 27 17.043 1.954 0.656 0.449 0.808 0.462 CA 1.348 18 residues pruned to eliminate duplicates Z: 12 18.578 2.037 0.639 0.826 1.000 0.818 CB 1.265 12 residues pruned to eliminate duplicates Z: 14 17.714 2.056 0.850 0.711 0.846 0.769 CB 1.260 14 residues pruned to eliminate duplicates Z: 21 21.461 1.955 0.873 0.592 0.900 0.600 CB 1.334 21 residues pruned to eliminate duplicates Z: 45 29.701 1.977 0.476 0.653 0.932 0.659 CB 1.428 45 residues pruned to eliminate duplicates Z: 88 49.205 2.152 0.692 0.570 0.908 0.621 CB 1.491 88 residues pruned to eliminate duplicates Z: 31 27.902 2.049 0.640 0.608 0.967 0.467 CB 1.416 31 residues pruned to eliminate duplicates Z: 32 22.487 1.945 0.705 0.521 0.935 0.484 CB 1.275 32 residues pruned to eliminate duplicates Z: 38 31.356 2.047 0.817 0.558 0.892 0.622 CB 1.469 40 residues pruned to eliminate duplicates Z: 17 16.605 1.985 0.518 0.690 0.812 0.500 CB 1.425 17 residues pruned to eliminate duplicates Z: 22 16.623 1.961 0.728 0.550 0.762 0.476 CB 1.338 22 residues pruned to eliminate duplicates Z: 82 55.785 2.168 0.818 0.614 0.914 0.679 CB 1.546 82 residues pruned to eliminate duplicates Z: 73 38.459 2.100 0.645 0.512 0.889 0.653 CB 1.459 73 residues pruned to eliminate duplicates Z: 17 9.723 1.924 0.480 0.443 0.750 0.375 CB 1.207 17 residues pruned to eliminate duplicates Z: 73 49.066 2.211 0.690 0.593 0.931 0.625 CB 1.522 73 residues pruned to eliminate duplicates Z: 130 68.743 2.143 0.866 0.619 0.915 0.589 CB 1.479 130 residues pruned to eliminate duplicates Z: 24 11.428 1.810 0.896 0.289 0.826 0.304 CB 1.066 76 residues pruned to eliminate duplicates Z: 67 35.813 2.125 0.612 0.479 0.894 0.591 CB 1.471 67 residues pruned to eliminate duplicates Z: 68 36.129 2.175 0.501 0.527 0.881 0.612 CB 1.495 68 residues pruned to eliminate duplicates Z: 9 4.577 2.170 0.145 0.273 0.875 0.250 CB 0.963 9 residues pruned to eliminate duplicates Z: 75 49.047 2.192 0.772 0.570 0.905 0.662 CB 1.516 75 residues pruned to eliminate duplicates Z: 34 23.208 2.196 0.549 0.453 0.848 0.455 CB 1.468 34 residues pruned to eliminate duplicates Z: 66 45.493 2.190 0.774 0.537 0.923 0.554 CB 1.517 66 residues pruned to eliminate duplicates Z: 52 33.698 2.154 0.790 0.510 0.902 0.549 CB 1.344 52 residues pruned to eliminate duplicates Z: 75 48.627 2.185 0.765 0.576 0.932 0.676 CB 1.460 75 residues pruned to eliminate duplicates Z: 62 35.928 2.148 0.609 0.517 0.918 0.574 CB 1.425 62 residues pruned to eliminate duplicates Z: 35 29.399 2.294 0.709 0.397 0.912 0.559 CB 1.573 35 residues pruned to eliminate duplicates Z: 52 39.924 2.233 0.679 0.540 0.941 0.549 CB 1.523 52 residues pruned to eliminate duplicates Z: 68 49.595 2.223 0.791 0.564 0.970 0.642 CB 1.474 68 residues pruned to eliminate duplicates Z: 87 51.567 2.205 0.677 0.580 0.942 0.651 CB 1.478 87 residues pruned to eliminate duplicates Z: 71 45.439 2.183 0.748 0.546 0.914 0.614 CB 1.488 71 residues pruned to eliminate duplicates Z: 69 43.094 2.187 0.709 0.542 0.926 0.559 CB 1.449 69 residues pruned to eliminate duplicates Z: 34 30.238 2.222 0.713 0.470 0.939 0.576 CB 1.517 34 residues pruned to eliminate duplicates Z: 90 50.966 2.126 0.799 0.533 0.955 0.629 CB 1.432 90 residues pruned to eliminate duplicates Z: 68 44.960 2.214 0.702 0.557 0.925 0.627 CB 1.491 68 residues pruned to eliminate duplicates Z: 91 45.925 2.133 0.674 0.560 0.900 0.567 CB 1.421 91 residues pruned to eliminate duplicates Z: 74 41.684 2.151 0.604 0.526 0.932 0.507 CB 1.479 74 residues pruned to eliminate duplicates Z: 68 41.462 2.197 0.608 0.551 0.940 0.567 CB 1.452 68 residues pruned to eliminate duplicates Z: 43 31.961 2.259 0.666 0.407 0.905 0.500 CB 1.597 43 residues pruned to eliminate duplicates Z: 115 66.086 2.159 0.794 0.626 0.930 0.632 CB 1.526 115 residues pruned to eliminate duplicates Z: 90 45.078 2.135 0.635 0.546 0.899 0.629 CB 1.457 90 residues pruned to eliminate duplicates Z: 103 55.648 2.154 0.748 0.575 0.931 0.647 CB 1.461 103 residues pruned to eliminate duplicates Z: 68 44.591 2.195 0.706 0.534 0.940 0.597 CB 1.497 68 residues pruned to eliminate duplicates Z: 114 64.838 2.174 0.760 0.630 0.938 0.619 CB 1.504 114 residues pruned to eliminate duplicates Z: 68 49.489 2.223 0.867 0.549 0.910 0.627 CB 1.525 68 residues pruned to eliminate duplicates Z: 109 47.773 2.099 0.702 0.527 0.889 0.593 CB 1.409 109 residues pruned to eliminate duplicates Z: 42 28.623 2.203 0.683 0.406 0.902 0.439 CB 1.475 42 residues pruned to eliminate duplicates Z: 59 32.960 2.122 0.813 0.393 0.879 0.500 CB 1.433 59 residues pruned to eliminate duplicates Z: 89 44.027 2.117 0.691 0.497 0.920 0.500 CB 1.429 89 residues pruned to eliminate duplicates Z: 40 37.541 2.139 0.824 0.662 0.897 0.692 CB 1.477 40 residues pruned to eliminate duplicates Z: 79 57.363 2.130 0.818 0.720 0.897 0.667 CB 1.531 79 residues pruned to eliminate duplicates Z: 41 34.378 2.112 0.706 0.623 0.900 0.675 CB 1.493 41 residues pruned to eliminate duplicates Z: 41 31.464 2.040 0.724 0.629 0.900 0.525 CB 1.391 41 residues pruned to eliminate duplicates Z: 41 33.254 2.125 0.679 0.626 0.925 0.575 CB 1.415 41 residues pruned to eliminate duplicates Z: 54 43.293 2.184 0.827 0.524 0.962 0.547 CB 1.512 54 residues pruned to eliminate duplicates Z: 94 56.266 2.028 0.800 0.653 0.914 0.688 CB 1.517 94 residues pruned to eliminate duplicates Z: 25 34.557 2.143 0.841 0.751 0.958 0.708 CB 1.492 25 residues pruned to eliminate duplicates Z: 42 35.524 2.041 0.686 0.629 0.927 0.585 CB 1.542 42 residues pruned to eliminate duplicates Z: 39 36.216 2.132 0.738 0.680 0.921 0.632 CB 1.459 39 residues pruned to eliminate duplicates Z: 86 59.523 2.145 0.751 0.725 0.906 0.753 CB 1.550 86 residues pruned to eliminate duplicates Z: 85 59.599 2.133 0.837 0.739 0.893 0.750 CB 1.500 85 residues pruned to eliminate duplicates Z: 57 53.468 2.166 0.833 0.711 0.964 0.679 CB 1.541 57 residues pruned to eliminate duplicates Z: 37 34.605 2.039 0.795 0.582 0.944 0.528 CB 1.542 37 residues pruned to eliminate duplicates Z: 90 47.405 2.130 0.711 0.523 0.899 0.551 CB 1.500 90 residues pruned to eliminate duplicates Z: 40 36.105 2.117 0.686 0.664 0.923 0.667 CB 1.508 40 residues pruned to eliminate duplicates Z: 115 68.090 2.173 0.749 0.645 0.930 0.640 CB 1.576 115 residues pruned to eliminate duplicates Z: 37 31.189 2.009 0.811 0.595 0.917 0.611 CB 1.423 37 residues pruned to eliminate duplicates Z: 40 37.465 2.116 0.806 0.667 0.897 0.718 CB 1.499 40 residues pruned to eliminate duplicates Z: 85 53.940 2.194 0.782 0.577 0.964 0.595 CB 1.450 85 residues pruned to eliminate duplicates Z: 40 34.113 2.095 0.791 0.615 0.897 0.513 CB 1.455 40 residues pruned to eliminate duplicates Z: 69 46.900 2.187 0.821 0.529 0.941 0.588 CB 1.475 69 residues pruned to eliminate duplicates Z: 36 30.883 2.077 0.732 0.633 0.914 0.686 CB 1.400 36 residues pruned to eliminate duplicates Z: 13 13.148 2.010 0.462 0.564 0.833 0.583 CB 1.457 13 residues pruned to eliminate duplicates Z: 38 40.055 2.127 0.896 0.680 0.946 0.730 CB 1.464 38 residues pruned to eliminate duplicates Z: 41 39.025 2.097 0.762 0.681 0.925 0.625 CB 1.528 41 residues pruned to eliminate duplicates Z: 42 33.573 2.109 0.699 0.637 0.902 0.659 CB 1.425 42 residues pruned to eliminate duplicates Z: 30 30.273 2.058 0.632 0.618 0.966 0.690 CB 1.551 30 residues pruned to eliminate duplicates Z: 14 11.931 1.942 0.317 0.509 0.846 0.462 CB 1.514 14 residues pruned to eliminate duplicates Z: 40 39.316 2.139 0.789 0.662 0.923 0.667 CB 1.534 40 residues pruned to eliminate duplicates Z: 13 10.708 2.052 0.391 0.530 0.750 0.500 CB 1.402 13 residues pruned to eliminate duplicates Z: 41 30.124 2.096 0.735 0.639 0.800 0.550 CB 1.437 41 residues pruned to eliminate duplicates Z: 13 12.131 1.997 0.589 0.547 0.750 0.583 CB 1.406 13 residues pruned to eliminate duplicates Z: 41 33.611 2.094 0.722 0.674 0.850 0.675 CB 1.477 41 residues pruned to eliminate duplicates Z: 42 50.899 2.143 0.926 0.781 0.951 0.683 CA 1.581 42 residues pruned to eliminate duplicates Z: 21 28.878 2.098 0.820 0.611 0.900 0.650 CA 1.692 21 residues pruned to eliminate duplicates Z: 44 49.816 2.154 0.801 0.805 0.977 0.814 CA 1.537 44 residues pruned to eliminate duplicates Z: 20 20.754 2.143 0.846 0.644 0.842 0.684 CB 1.249 20 residues pruned to eliminate duplicates Z: 20 29.373 2.136 0.986 0.641 0.895 0.737 CB 1.556 20 residues pruned to eliminate duplicates Z: 43 50.013 2.183 0.856 0.792 0.929 0.762 CB 1.587 43 residues pruned to eliminate duplicates Z: 88 55.493 2.185 0.863 0.592 0.908 0.621 CB 1.474 88 residues pruned to eliminate duplicates Z: 47 45.590 2.094 0.827 0.753 0.913 0.696 CA 1.536 47 residues pruned to eliminate duplicates Z: 19 29.288 2.163 0.884 0.683 0.944 0.556 CB 1.516 19 residues pruned to eliminate duplicates Z: 19 29.246 2.198 0.941 0.675 0.889 0.500 CB 1.547 19 residues pruned to eliminate duplicates Z: 22 32.072 2.071 0.940 0.606 1.000 0.667 CB 1.575 22 residues pruned to eliminate duplicates Z: 41 49.082 2.130 0.885 0.756 0.950 0.775 CA 1.620 41 residues pruned to eliminate duplicates Z: 20 31.991 2.146 1.058 0.649 0.947 0.421 CB 1.527 20 residues pruned to eliminate duplicates Z: 56 50.815 2.131 0.747 0.782 0.927 0.673 CB 1.548 56 residues pruned to eliminate duplicates Z: 84 62.183 2.107 0.864 0.710 0.940 0.578 CB 1.528 84 residues pruned to eliminate duplicates Z: 44 55.595 2.163 0.923 0.801 0.977 0.651 CB 1.604 44 residues pruned to eliminate duplicates Z: 47 48.405 2.136 0.982 0.754 0.913 0.565 CB 1.473 47 residues pruned to eliminate duplicates Z: 47 52.279 2.127 0.869 0.798 0.978 0.652 CA 1.527 47 residues pruned to eliminate duplicates Z: 85 57.190 2.089 0.806 0.707 0.917 0.631 CB 1.495 85 residues pruned to eliminate duplicates Z: 85 60.315 2.122 0.865 0.721 0.929 0.738 CB 1.466 85 residues pruned to eliminate duplicates Z: 45 42.420 2.083 0.978 0.703 0.864 0.568 CB 1.494 45 residues pruned to eliminate duplicates Z: 54 38.724 1.939 0.669 0.687 0.943 0.679 CA 1.468 54 residues pruned to eliminate duplicates Z: 50 49.672 2.153 0.800 0.712 0.959 0.755 CA 1.574 50 residues pruned to eliminate duplicates Z: 33 34.161 2.010 0.723 0.775 0.969 0.594 CA 1.412 33 residues pruned to eliminate duplicates Z: 47 51.215 2.110 0.955 0.770 0.935 0.587 CA 1.542 47 residues pruned to eliminate duplicates Z: 77 56.370 2.083 0.860 0.715 0.921 0.697 CB 1.492 77 residues pruned to eliminate duplicates Z: 46 36.725 2.021 0.759 0.685 0.867 0.556 CA 1.500 46 residues pruned to eliminate duplicates Z: 32 34.099 2.027 0.744 0.787 0.935 0.742 CA 1.439 32 residues pruned to eliminate duplicates Z: 47 47.568 2.092 0.914 0.748 0.935 0.630 CA 1.502 47 residues pruned to eliminate duplicates Z: 86 61.142 2.097 0.838 0.717 0.929 0.624 CB 1.521 86 residues pruned to eliminate duplicates Z: 81 66.517 2.133 0.908 0.742 0.925 0.600 CB 1.590 81 residues pruned to eliminate duplicates Z: 62 42.878 1.932 0.786 0.701 0.934 0.410 CB 1.418 62 residues pruned to eliminate duplicates Z: 46 44.312 2.108 0.869 0.752 0.867 0.556 CB 1.545 46 residues pruned to eliminate duplicates Z: 47 47.374 2.077 0.989 0.760 0.913 0.413 CB 1.470 47 residues pruned to eliminate duplicates Z: 46 50.769 2.127 0.921 0.783 0.933 0.689 CA 1.547 46 residues pruned to eliminate duplicates Z: 79 59.931 2.119 0.924 0.747 0.936 0.500 CB 1.426 79 residues pruned to eliminate duplicates Z: 48 47.557 2.101 0.907 0.776 0.915 0.638 CB 1.484 48 residues pruned to eliminate duplicates Z: 37 33.936 1.956 0.787 0.727 0.944 0.444 CB 1.396 37 residues pruned to eliminate duplicates Z: 13 13.040 1.735 0.911 0.704 0.833 0.583 CA 1.132 13 residues pruned to eliminate duplicates Z: 57 52.710 2.001 0.901 0.766 0.964 0.411 CB 1.517 57 residues pruned to eliminate duplicates Z: 48 52.987 2.109 1.016 0.771 0.936 0.489 CB 1.528 48 residues pruned to eliminate duplicates Z: 61 51.198 1.996 0.895 0.765 0.933 0.567 CB 1.480 61 residues pruned to eliminate duplicates Z: 65 51.671 1.965 0.892 0.762 0.953 0.453 CB 1.444 65 residues pruned to eliminate duplicates Z: 50 49.127 2.098 0.981 0.754 0.959 0.306 CB 1.405 50 residues pruned to eliminate duplicates Z: 42 37.613 1.917 0.866 0.698 0.951 0.439 CB 1.441 42 residues pruned to eliminate duplicates Z: 51 50.162 2.090 0.883 0.766 0.920 0.440 CB 1.547 51 residues pruned to eliminate duplicates Z: 61 48.907 2.015 0.970 0.763 0.900 0.433 CB 1.400 61 residues pruned to eliminate duplicates Z: 103 65.705 1.995 0.957 0.716 0.951 0.500 CB 1.441 103 residues pruned to eliminate duplicates Z: 72 50.904 2.025 0.784 0.732 0.944 0.465 CB 1.437 72 residues pruned to eliminate duplicates Z: 27 12.217 1.565 0.512 0.516 0.846 0.269 CB 1.177 27 residues pruned to eliminate duplicates Z: 13 15.560 1.665 0.793 0.771 0.917 0.417 CB 1.291 13 residues pruned to eliminate duplicates Z: 10 10.941 1.706 0.615 0.706 0.889 0.333 CA 1.234 10 residues pruned to eliminate duplicates Z: 13 12.681 1.628 0.697 0.753 0.833 0.167 CB 1.269 13 residues pruned to eliminate duplicates Z: 14 15.683 1.668 0.699 0.757 0.923 0.462 CB 1.322 14 residues pruned to eliminate duplicates Z: 10 13.814 1.690 0.739 0.703 1.000 0.333 CB 1.303 9 residues pruned to eliminate duplicates Z: 17 14.530 1.593 0.562 0.772 1.000 0.375 CB 1.148 17 residues pruned to eliminate duplicates Z: 10 18.736 1.725 0.947 0.910 1.000 0.778 CA 1.318 10 residues pruned to eliminate duplicates Z: 17 10.630 1.591 0.693 0.682 0.812 0.375 CB 1.028 17 residues pruned to eliminate duplicates Z: 12 16.157 1.651 0.918 0.879 0.909 0.364 CB 1.227 12 residues pruned to eliminate duplicates Z: 63 38.938 1.912 0.808 0.695 0.855 0.403 CB 1.401 63 residues pruned to eliminate duplicates Z: 15 12.736 1.625 0.747 0.736 0.857 0.357 CB 1.132 15 residues pruned to eliminate duplicates Z: 60 44.735 1.927 0.803 0.733 0.966 0.458 CB 1.407 56 residues pruned to eliminate duplicates Z: 6 2.295 1.635 0.123 0.246 0.800 0.200 CA 0.936 6 residues pruned to eliminate duplicates Z: 15 13.556 1.896 0.375 0.533 0.929 0.500 CB 1.448 15 residues pruned to eliminate duplicates Z: 30 21.443 1.764 0.551 0.613 1.000 0.414 CB 1.308 30 residues pruned to eliminate duplicates Z: 13 14.997 1.929 0.524 0.580 0.917 0.667 CB 1.486 13 residues pruned to eliminate duplicates Z: 12 14.200 2.037 0.265 0.628 0.909 0.727 CB 1.621 12 residues pruned to eliminate duplicates Z: 14 13.330 1.848 0.452 0.553 0.923 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 13 16.735 1.925 0.496 0.635 1.000 0.667 CB 1.477 13 residues pruned to eliminate duplicates Z: 13 14.592 1.940 0.467 0.603 0.917 0.750 CB 1.463 13 residues pruned to eliminate duplicates Z: 14 12.820 1.886 0.389 0.544 0.923 0.615 CB 1.409 14 residues pruned to eliminate duplicates Z: 13 15.078 1.929 0.531 0.592 0.917 0.417 CB 1.472 13 residues pruned to eliminate duplicates Z: 17 12.406 1.872 0.678 0.500 0.812 0.312 CB 1.216 17 residues pruned to eliminate duplicates Z: 11 19.248 2.076 0.943 0.708 1.000 0.700 CB 1.250 11 residues pruned to eliminate duplicates Z: 13 10.882 1.940 0.589 0.595 0.917 0.417 CB 1.016 13 residues pruned to eliminate duplicates Z: 10 6.094 1.816 0.763 0.212 0.889 0.556 CB 1.003 9 residues pruned to eliminate duplicates Z: 9 8.061 1.689 0.634 0.529 0.875 0.375 CB 1.147 9 residues pruned to eliminate duplicates Z: 11 5.141 1.861 0.453 0.225 0.800 0.200 CB 1.037 11 residues pruned to eliminate duplicates Z: 19 8.410 1.810 0.480 0.214 1.000 0.444 CB 1.037 19 residues pruned to eliminate duplicates Z: 17 7.457 1.838 0.573 0.227 0.875 0.375 CB 1.014 17 residues pruned to eliminate duplicates Z: 7 5.571 1.533 0.471 0.572 1.000 0.833 CA 0.941 Z: 28 7.575 1.747 0.394 0.261 0.852 0.444 CB 0.924 51 residues pruned to eliminate duplicates Z: 8 6.323 1.690 0.561 0.401 0.857 0.429 CA 1.174 7 residues pruned to eliminate duplicates Z: 6 5.435 1.805 0.393 0.324 1.000 0.800 CB 1.173 6 residues pruned to eliminate duplicates Z: 10 5.311 1.679 0.376 0.234 1.000 0.556 CB 1.044 9 residues pruned to eliminate duplicates Z: 7 3.100 1.367 0.431 0.376 1.000 0.333 CB 0.739 7 residues pruned to eliminate duplicates 553 residues left after pruning, divided into chains as follows: A: 7 B: 11 C: 92 D: 44 E: 153 F: 18 G: 200 H: 19 I: 9 CC for partial structure against native data = 38.10 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.497, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.560, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.664, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.669, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.676, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.679, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.682, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.683, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.685, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.685, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3595 peaks > 0.5 sigma used to seed fragment search Space for about 917 unique residues taking solvent into account 858 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 20.421 2.320 0.991 0.890 0.875 0.750 CB 1.285 B: 27 62.887 2.442 1.073 0.884 0.962 0.769 CA 1.831 C: 26 67.641 2.500 1.128 0.938 0.960 0.800 CA 1.843 26 residues pruned to eliminate duplicates D: 29 63.503 2.373 0.999 0.910 1.000 0.679 CA 1.794 29 residues pruned to eliminate duplicates E: 28 59.766 2.428 0.928 0.917 0.963 0.889 CA 1.801 27 residues pruned to eliminate duplicates F: 9 21.464 2.320 0.841 0.877 1.000 0.500 CB 1.291 9 residues pruned to eliminate duplicates G: 15 27.404 2.265 0.582 0.900 0.929 0.786 CA 1.573 H: 14 44.508 2.365 0.935 0.941 1.000 0.846 CB 1.872 I: 26 68.942 2.393 1.306 0.938 0.920 0.560 CB 1.888 28 residues pruned to eliminate duplicates J: 14 38.234 2.394 0.623 0.925 1.000 0.923 CB 1.916 14 residues pruned to eliminate duplicates K: 10 30.969 2.412 1.038 0.880 0.889 0.556 CA 1.713 9 residues pruned to eliminate duplicates L: 46 66.845 2.298 0.898 0.859 0.956 0.800 CA 1.760 27 residues pruned to eliminate duplicates M: 28 48.306 2.379 0.946 0.888 0.852 0.370 CB 1.698 28 residues pruned to eliminate duplicates N: 27 63.475 2.485 1.160 0.924 0.885 0.654 CB 1.842 27 residues pruned to eliminate duplicates O: 30 67.564 2.347 1.083 0.921 1.000 0.586 CB 1.806 30 residues pruned to eliminate duplicates P: 12 14.769 2.086 0.766 0.840 0.727 0.455 CB 1.240 10 residues pruned to eliminate duplicates Q: 28 64.811 2.395 1.080 0.902 1.000 0.704 CB 1.785 28 residues pruned to eliminate duplicates R: 42 32.148 2.176 0.752 0.434 0.951 0.634 CB 1.483 11 residues pruned to eliminate duplicates S: 8 16.621 2.362 0.246 0.854 1.000 0.714 CA 1.577 T: 14 47.474 2.392 1.120 0.921 1.000 0.923 CB 1.828 14 residues pruned to eliminate duplicates U: 30 55.261 2.310 0.938 0.907 0.931 0.517 CB 1.750 30 residues pruned to eliminate duplicates V: 17 35.188 2.158 0.774 0.791 1.000 0.812 CA 1.781 18 residues pruned to eliminate duplicates W: 16 32.790 2.135 0.880 0.937 1.000 0.867 CA 1.468 15 residues pruned to eliminate duplicates X: 28 63.606 2.419 1.168 0.922 0.889 0.370 CB 1.846 28 residues pruned to eliminate duplicates Y: 15 39.067 2.196 0.965 0.937 1.000 0.857 CA 1.684 Z: 16 33.269 2.114 0.816 0.924 1.000 0.800 CA 1.571 16 residues pruned to eliminate duplicates Z: 31 64.060 2.349 1.073 0.887 0.967 0.633 CB 1.791 31 residues pruned to eliminate duplicates Z: 29 52.194 2.297 0.801 0.918 0.964 0.857 CA 1.744 29 residues pruned to eliminate duplicates Z: 14 43.257 2.361 0.871 0.935 1.000 0.846 N 1.892 14 residues pruned to eliminate duplicates Z: 9 17.486 2.018 0.557 0.802 1.000 0.750 CA 1.511 Z: 14 45.528 2.359 0.988 0.936 1.000 0.846 CA 1.875 14 residues pruned to eliminate duplicates Z: 15 31.693 2.101 1.026 0.862 0.929 0.929 CA 1.573 Z: 46 68.456 2.291 0.955 0.835 0.978 0.600 CA 1.745 45 residues pruned to eliminate duplicates Z: 12 27.007 2.112 0.865 0.855 1.000 0.818 CB 1.526 Z: 14 36.359 2.259 0.943 0.919 1.000 0.846 CB 1.619 14 residues pruned to eliminate duplicates Z: 14 28.007 2.328 1.000 0.868 1.000 0.538 CB 1.219 Z: 44 65.827 2.250 0.914 0.854 0.977 0.674 CB 1.763 44 residues pruned to eliminate duplicates Z: 16 32.314 2.107 0.915 0.926 0.933 0.800 CA 1.554 16 residues pruned to eliminate duplicates Z: 29 59.335 2.379 1.033 0.905 0.929 0.786 CA 1.777 29 residues pruned to eliminate duplicates Z: 18 27.247 1.938 0.817 0.892 0.941 0.706 CA 1.433 18 residues pruned to eliminate duplicates Z: 16 23.353 2.168 0.478 0.895 0.933 0.800 CA 1.444 16 residues pruned to eliminate duplicates Z: 16 36.099 2.138 1.044 0.938 1.000 0.867 CA 1.483 16 residues pruned to eliminate duplicates Z: 16 40.675 2.208 1.219 0.891 1.000 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 28 60.954 2.399 0.908 0.939 1.000 0.889 CA 1.781 28 residues pruned to eliminate duplicates Z: 22 18.808 2.169 0.385 0.514 0.857 0.667 CA 1.572 13 residues pruned to eliminate duplicates Z: 12 45.355 2.443 1.007 0.938 1.000 1.000 CB 1.940 12 residues pruned to eliminate duplicates Z: 46 72.532 2.268 1.070 0.825 0.978 0.467 CA 1.777 47 residues pruned to eliminate duplicates Z: 14 28.137 2.342 1.271 0.893 0.846 0.615 CB 1.245 14 residues pruned to eliminate duplicates Z: 16 29.197 2.139 0.831 0.909 0.933 0.667 CA 1.464 16 residues pruned to eliminate duplicates Z: 17 34.104 2.140 0.719 0.830 1.000 0.750 CA 1.744 17 residues pruned to eliminate duplicates Z: 18 35.075 2.054 1.009 0.806 0.941 0.706 CA 1.677 18 residues pruned to eliminate duplicates Z: 14 39.583 2.190 1.129 0.928 1.000 1.000 CA 1.650 15 residues pruned to eliminate duplicates Z: 10 8.803 1.874 0.008 0.810 0.778 0.556 N 1.525 8 residues pruned to eliminate duplicates Z: 11 27.443 2.090 0.846 0.891 1.000 0.500 N 1.617 11 residues pruned to eliminate duplicates Z: 15 24.712 2.205 0.918 0.815 0.929 0.714 CB 1.279 15 residues pruned to eliminate duplicates Z: 10 17.062 2.099 0.505 0.900 0.889 0.778 CB 1.446 Z: 7 5.817 1.584 0.270 0.827 0.833 0.833 O 1.067 7 residues pruned to eliminate duplicates Z: 16 30.199 2.191 1.010 0.842 0.933 0.600 CB 1.413 14 residues pruned to eliminate duplicates Z: 8 11.357 2.101 0.352 0.706 0.857 0.714 N 1.463 7 residues pruned to eliminate duplicates Z: 11 29.163 2.155 0.752 0.881 1.000 0.500 CA 1.769 11 residues pruned to eliminate duplicates Z: 29 59.390 2.338 0.953 0.921 0.964 0.786 CA 1.794 29 residues pruned to eliminate duplicates Z: 27 63.868 2.441 1.031 0.936 0.962 0.692 CA 1.830 27 residues pruned to eliminate duplicates Z: 14 41.689 2.354 0.892 0.924 1.000 1.000 CB 1.823 14 residues pruned to eliminate duplicates Z: 10 17.655 1.872 0.548 0.872 1.000 0.556 CB 1.480 Z: 10 15.565 1.831 0.630 0.783 1.000 0.667 CA 1.355 11 residues pruned to eliminate duplicates Z: 10 21.869 2.141 0.689 0.892 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 60 38.344 2.171 0.789 0.499 0.898 0.559 CB 1.432 38 residues pruned to eliminate duplicates Z: 10 16.605 2.129 0.339 0.764 1.000 0.778 CA 1.536 9 residues pruned to eliminate duplicates Z: 12 26.983 2.125 0.704 0.862 1.000 0.909 CB 1.650 12 residues pruned to eliminate duplicates Z: 13 26.590 2.302 0.864 0.858 1.000 0.917 CB 1.317 13 residues pruned to eliminate duplicates Z: 16 23.121 2.120 0.577 0.933 0.933 0.867 CA 1.335 16 residues pruned to eliminate duplicates Z: 16 35.188 2.069 0.938 0.940 1.000 0.800 CA 1.574 16 residues pruned to eliminate duplicates Z: 45 65.242 2.294 0.820 0.853 1.000 0.727 CA 1.741 45 residues pruned to eliminate duplicates Z: 17 24.433 2.041 0.707 0.937 0.938 0.875 CB 1.302 17 residues pruned to eliminate duplicates Z: 36 31.154 2.229 0.680 0.444 0.914 0.600 CB 1.629 39 residues pruned to eliminate duplicates Z: 27 33.013 2.041 0.662 0.901 0.923 0.731 CA 1.476 Z: 77 45.370 2.119 0.740 0.549 0.934 0.605 CB 1.440 73 residues pruned to eliminate duplicates Z: 13 15.629 2.248 0.830 0.867 0.833 0.667 CB 0.963 13 residues pruned to eliminate duplicates Z: 9 16.883 2.004 0.421 0.764 1.000 0.875 CA 1.658 9 residues pruned to eliminate duplicates Z: 63 45.325 2.206 0.731 0.552 0.952 0.597 CB 1.505 63 residues pruned to eliminate duplicates Z: 10 28.555 2.235 0.779 0.874 1.000 0.778 CB 1.742 10 residues pruned to eliminate duplicates Z: 15 39.711 2.271 1.141 0.944 1.000 0.857 CA 1.512 16 residues pruned to eliminate duplicates Z: 7 17.323 2.289 0.620 0.863 1.000 0.500 N 1.399 8 residues pruned to eliminate duplicates Z: 15 26.259 2.191 0.444 0.910 1.000 0.857 CB 1.573 13 residues pruned to eliminate duplicates Z: 18 34.865 2.092 0.863 0.797 1.000 0.706 CB 1.672 17 residues pruned to eliminate duplicates Z: 11 14.323 1.834 0.538 0.710 0.900 0.700 CA 1.474 Z: 29 39.228 2.056 0.798 0.895 0.929 0.607 CA 1.548 27 residues pruned to eliminate duplicates Z: 16 30.634 2.054 1.097 0.921 1.000 0.667 CB 1.292 Z: 17 26.059 2.121 0.836 0.888 1.000 0.688 CB 1.205 15 residues pruned to eliminate duplicates Z: 13 28.778 2.277 0.781 0.902 0.917 0.917 CA 1.594 13 residues pruned to eliminate duplicates Z: 21 27.811 1.906 0.578 0.895 1.000 0.800 CB 1.482 Z: 36 33.180 2.065 0.951 0.625 0.914 0.571 CB 1.354 36 residues pruned to eliminate duplicates Z: 25 41.191 2.108 0.840 0.932 0.958 0.542 CA 1.580 25 residues pruned to eliminate duplicates Z: 11 22.921 2.122 0.406 0.931 1.000 1.000 CB 1.698 11 residues pruned to eliminate duplicates Z: 39 39.389 2.121 0.838 0.696 0.947 0.474 CB 1.447 29 residues pruned to eliminate duplicates Z: 22 24.265 1.860 0.443 0.916 0.952 0.857 CB 1.463 21 residues pruned to eliminate duplicates Z: 15 27.602 2.180 1.441 0.890 0.929 0.500 CB 1.074 15 residues pruned to eliminate duplicates Z: 14 35.098 2.301 1.065 0.910 0.923 0.615 CB 1.574 14 residues pruned to eliminate duplicates Z: 24 23.024 2.293 0.576 0.501 0.783 0.652 CA 1.696 21 residues pruned to eliminate duplicates Z: 11 16.720 1.926 0.443 0.825 1.000 0.800 CA 1.436 Z: 9 24.199 2.095 0.721 0.877 1.000 0.625 CB 1.724 9 residues pruned to eliminate duplicates Z: 14 38.482 2.328 0.876 0.928 1.000 1.000 CA 1.711 14 residues pruned to eliminate duplicates Z: 67 44.275 2.143 0.721 0.532 0.970 0.591 CB 1.477 67 residues pruned to eliminate duplicates Z: 46 69.848 2.325 0.924 0.842 0.956 0.689 CA 1.815 46 residues pruned to eliminate duplicates Z: 69 44.859 2.141 0.757 0.552 0.956 0.588 CB 1.437 65 residues pruned to eliminate duplicates Z: 69 35.298 2.176 0.567 0.493 0.824 0.574 CB 1.534 40 residues pruned to eliminate duplicates Z: 8 10.946 2.175 0.763 0.749 0.571 0.429 CA 1.511 Z: 8 17.941 2.147 0.277 0.883 1.000 0.571 CB 1.788 8 residues pruned to eliminate duplicates Z: 27 73.986 2.427 1.299 0.952 0.962 0.385 CA 1.863 27 residues pruned to eliminate duplicates Z: 11 24.705 2.126 0.547 0.911 1.000 1.000 CA 1.684 11 residues pruned to eliminate duplicates Z: 15 31.688 2.064 0.979 0.886 0.929 0.714 CB 1.612 15 residues pruned to eliminate duplicates Z: 18 24.645 1.963 0.760 0.886 0.941 0.765 CA 1.326 17 residues pruned to eliminate duplicates Z: 11 21.232 2.032 0.731 0.821 0.900 0.600 CB 1.605 Z: 10 12.025 1.852 0.327 0.823 0.889 0.889 CA 1.387 10 residues pruned to eliminate duplicates Z: 11 20.365 1.840 0.645 0.863 1.000 0.700 CA 1.561 11 residues pruned to eliminate duplicates Z: 22 24.257 1.864 0.540 0.904 0.905 0.571 CB 1.451 22 residues pruned to eliminate duplicates Z: 22 29.362 1.849 0.632 0.898 1.000 0.714 CB 1.520 22 residues pruned to eliminate duplicates Z: 61 39.851 2.177 0.746 0.519 0.933 0.617 CB 1.423 61 residues pruned to eliminate duplicates Z: 11 27.150 2.070 0.833 0.873 1.000 0.700 N 1.648 11 residues pruned to eliminate duplicates Z: 31 33.669 1.972 0.774 0.858 0.933 0.733 CA 1.387 31 residues pruned to eliminate duplicates Z: 17 27.540 2.169 0.782 0.910 1.000 0.812 CB 1.263 17 residues pruned to eliminate duplicates Z: 30 57.870 2.309 0.956 0.902 0.966 0.517 CA 1.757 30 residues pruned to eliminate duplicates Z: 11 18.891 2.039 0.556 0.826 0.900 0.700 CB 1.577 11 residues pruned to eliminate duplicates Z: 16 37.229 1.994 1.186 0.933 1.000 0.867 CA 1.539 16 residues pruned to eliminate duplicates Z: 9 22.125 2.269 0.590 0.855 1.000 1.000 CB 1.600 9 residues pruned to eliminate duplicates Z: 11 10.462 1.842 0.378 0.713 0.900 0.600 CB 1.194 11 residues pruned to eliminate duplicates Z: 15 33.292 2.279 0.800 0.920 1.000 0.857 CA 1.528 15 residues pruned to eliminate duplicates Z: 18 24.815 1.923 0.885 0.854 1.000 0.824 CB 1.227 18 residues pruned to eliminate duplicates Z: 66 42.212 2.173 0.701 0.533 0.954 0.615 CB 1.438 66 residues pruned to eliminate duplicates Z: 10 21.581 2.031 0.667 0.880 1.000 0.556 CB 1.540 10 residues pruned to eliminate duplicates Z: 14 36.705 2.134 1.007 0.927 1.000 0.923 N 1.666 14 residues pruned to eliminate duplicates Z: 21 29.031 1.948 0.564 0.906 0.950 0.750 CB 1.596 22 residues pruned to eliminate duplicates Z: 40 33.867 2.110 0.688 0.659 0.872 0.641 CB 1.507 40 residues pruned to eliminate duplicates Z: 10 15.126 1.924 0.246 0.924 1.000 1.000 CA 1.477 11 residues pruned to eliminate duplicates Z: 20 26.103 1.906 0.502 0.927 0.947 0.632 CB 1.547 20 residues pruned to eliminate duplicates Z: 15 27.994 2.277 0.968 0.878 0.929 0.714 CB 1.304 15 residues pruned to eliminate duplicates Z: 15 35.664 2.299 0.808 0.934 1.000 0.857 CA 1.599 15 residues pruned to eliminate duplicates Z: 19 31.023 2.063 0.800 0.740 0.944 0.611 CA 1.681 19 residues pruned to eliminate duplicates Z: 10 6.514 2.025 0.509 0.380 0.778 0.556 CB 1.038 Z: 16 27.051 2.043 0.973 0.937 1.000 0.667 CB 1.206 16 residues pruned to eliminate duplicates Z: 10 16.015 2.094 0.298 0.850 1.000 1.000 CB 1.454 10 residues pruned to eliminate duplicates Z: 14 36.497 2.372 0.658 0.926 1.000 1.000 CA 1.806 14 residues pruned to eliminate duplicates Z: 16 35.910 2.227 1.121 0.911 0.933 0.600 CA 1.491 16 residues pruned to eliminate duplicates Z: 17 20.266 1.960 0.464 0.899 1.000 0.812 CA 1.262 17 residues pruned to eliminate duplicates Z: 15 36.610 2.259 0.892 0.910 0.929 0.714 CB 1.750 15 residues pruned to eliminate duplicates Z: 11 25.372 2.015 1.034 0.879 1.000 0.800 CB 1.420 10 residues pruned to eliminate duplicates Z: 44 19.633 2.140 0.539 0.391 0.767 0.488 CB 1.330 11 residues pruned to eliminate duplicates Z: 12 15.391 1.785 0.533 0.891 1.000 0.818 CA 1.219 Z: 10 26.147 2.078 1.028 0.912 1.000 0.778 CB 1.465 10 residues pruned to eliminate duplicates Z: 13 18.924 1.895 0.499 0.892 1.000 0.833 CB 1.382 12 residues pruned to eliminate duplicates Z: 10 14.670 2.057 0.190 0.859 1.000 0.889 CA 1.470 10 residues pruned to eliminate duplicates Z: 14 20.773 1.838 0.644 0.881 1.000 0.692 CB 1.381 13 residues pruned to eliminate duplicates Z: 13 16.359 1.886 0.584 0.853 1.000 0.917 CA 1.168 11 residues pruned to eliminate duplicates Z: 9 13.258 2.095 0.133 0.822 1.000 0.875 CA 1.494 9 residues pruned to eliminate duplicates Z: 8 24.379 2.312 0.599 0.887 1.000 0.000 CB 1.797 8 residues pruned to eliminate duplicates Z: 28 29.058 2.019 0.521 0.910 0.963 0.704 CA 1.342 28 residues pruned to eliminate duplicates Z: 30 33.294 2.011 0.693 0.890 0.966 0.724 CA 1.353 30 residues pruned to eliminate duplicates Z: 9 10.024 1.915 0.821 0.595 0.625 0.375 CB 1.485 9 residues pruned to eliminate duplicates Z: 31 30.202 2.061 0.989 0.662 0.900 0.367 CB 1.287 31 residues pruned to eliminate duplicates Z: 16 27.936 2.060 0.589 0.922 1.000 0.800 CA 1.549 17 residues pruned to eliminate duplicates Z: 18 25.535 2.050 0.761 0.895 1.000 0.882 CB 1.229 18 residues pruned to eliminate duplicates Z: 18 37.278 2.074 0.902 0.813 1.000 0.882 CA 1.745 18 residues pruned to eliminate duplicates Z: 38 39.983 2.190 0.751 0.699 0.946 0.649 CB 1.512 39 residues pruned to eliminate duplicates Z: 22 14.216 1.829 0.719 0.420 0.810 0.333 CB 1.325 22 residues pruned to eliminate duplicates Z: 17 30.330 2.197 0.754 0.897 1.000 0.812 CB 1.408 17 residues pruned to eliminate duplicates Z: 28 32.564 1.988 0.718 0.885 0.963 0.778 CA 1.376 28 residues pruned to eliminate duplicates Z: 9 18.700 2.051 0.860 0.879 0.750 0.500 CB 1.675 8 residues pruned to eliminate duplicates Z: 62 33.300 2.221 0.539 0.433 0.869 0.607 CB 1.539 63 residues pruned to eliminate duplicates Z: 6 7.228 1.599 0.869 0.779 1.000 0.600 CA 0.846 6 residues pruned to eliminate duplicates Z: 21 20.140 1.849 0.164 0.919 1.000 0.900 CB 1.474 21 residues pruned to eliminate duplicates Z: 77 42.884 2.064 0.631 0.619 0.895 0.711 CB 1.459 74 residues pruned to eliminate duplicates Z: 11 22.862 2.146 0.593 0.831 1.000 0.900 CB 1.589 11 residues pruned to eliminate duplicates Z: 26 46.661 2.084 1.039 0.934 0.960 0.720 CA 1.596 29 residues pruned to eliminate duplicates Z: 14 18.496 1.853 0.451 0.886 1.000 0.846 CA 1.376 14 residues pruned to eliminate duplicates Z: 10 27.261 1.998 0.964 0.873 1.000 0.556 CA 1.687 9 residues pruned to eliminate duplicates Z: 12 18.252 1.893 0.579 0.849 1.000 0.727 CB 1.364 13 residues pruned to eliminate duplicates Z: 101 83.053 2.261 0.910 0.739 0.950 0.610 CB 1.634 99 residues pruned to eliminate duplicates Z: 11 22.218 2.015 0.841 0.820 0.900 0.600 N 1.594 11 residues pruned to eliminate duplicates Z: 16 27.549 2.029 0.924 0.926 1.000 0.800 CB 1.278 16 residues pruned to eliminate duplicates Z: 12 9.260 1.736 0.864 0.448 0.727 0.455 CA 1.250 Z: 15 37.912 2.134 1.228 0.924 1.000 0.929 CA 1.497 15 residues pruned to eliminate duplicates Z: 26 37.346 2.043 0.787 0.938 0.960 0.800 CA 1.482 26 residues pruned to eliminate duplicates Z: 7 9.959 2.043 0.213 0.729 1.000 0.667 N 1.335 7 residues pruned to eliminate duplicates Z: 38 33.521 2.157 0.655 0.687 0.892 0.676 CB 1.458 38 residues pruned to eliminate duplicates Z: 20 27.283 1.891 0.658 0.802 1.000 0.684 CA 1.533 20 residues pruned to eliminate duplicates Z: 8 17.298 2.076 0.877 0.777 0.857 0.714 CA 1.533 7 residues pruned to eliminate duplicates Z: 25 32.420 1.998 0.848 0.658 0.958 0.583 CB 1.615 18 residues pruned to eliminate duplicates Z: 9 11.904 1.927 0.603 0.862 1.000 1.000 CB 1.000 Z: 15 27.079 2.075 0.852 0.921 1.000 0.929 CB 1.325 15 residues pruned to eliminate duplicates Z: 62 32.676 2.202 0.571 0.449 0.869 0.574 CB 1.466 62 residues pruned to eliminate duplicates Z: 25 41.038 2.109 0.860 0.936 0.958 0.792 CA 1.552 26 residues pruned to eliminate duplicates Z: 16 27.604 2.216 0.651 0.911 0.933 0.800 CA 1.478 16 residues pruned to eliminate duplicates Z: 9 21.516 1.995 0.972 0.856 0.875 0.375 CB 1.629 9 residues pruned to eliminate duplicates Z: 13 15.923 1.883 0.404 0.874 0.917 0.750 CB 1.381 13 residues pruned to eliminate duplicates Z: 8 14.753 2.035 0.854 0.824 0.857 0.714 N 1.302 8 residues pruned to eliminate duplicates Z: 15 33.400 2.278 1.014 0.884 1.000 0.714 CB 1.406 15 residues pruned to eliminate duplicates Z: 7 18.420 2.193 0.837 0.820 0.833 0.333 CA 1.698 7 residues pruned to eliminate duplicates Z: 16 30.290 2.184 0.876 0.905 0.933 0.667 CA 1.455 16 residues pruned to eliminate duplicates Z: 18 34.348 2.115 0.899 0.817 0.941 0.765 CB 1.672 18 residues pruned to eliminate duplicates Z: 10 20.625 2.082 1.116 0.890 0.889 0.556 CB 1.263 10 residues pruned to eliminate duplicates Z: 11 20.746 2.147 1.030 0.864 0.900 0.300 CB 1.226 11 residues pruned to eliminate duplicates Z: 8 7.879 1.648 0.587 0.768 1.000 0.714 CB 0.897 8 residues pruned to eliminate duplicates Z: 17 9.605 1.704 0.243 0.605 0.938 0.500 CB 1.094 Z: 10 26.004 2.136 0.987 0.934 1.000 0.778 CB 1.424 11 residues pruned to eliminate duplicates Z: 23 26.153 2.238 0.817 0.471 0.955 0.545 CB 1.479 26 residues pruned to eliminate duplicates Z: 17 29.505 2.031 0.802 0.896 1.000 0.688 CA 1.444 17 residues pruned to eliminate duplicates Z: 60 32.904 2.228 0.500 0.441 0.847 0.610 CB 1.607 60 residues pruned to eliminate duplicates Z: 13 14.131 1.620 0.555 0.875 0.917 0.750 CB 1.285 Z: 14 45.877 2.329 1.201 0.917 1.000 0.769 CA 1.752 14 residues pruned to eliminate duplicates Z: 10 12.474 1.875 0.785 0.815 0.889 0.667 CB 1.062 10 residues pruned to eliminate duplicates Z: 17 23.751 1.978 0.569 0.867 1.000 0.875 CB 1.400 17 residues pruned to eliminate duplicates Z: 15 31.275 2.129 0.797 0.889 1.000 0.786 CA 1.572 15 residues pruned to eliminate duplicates Z: 31 19.023 1.945 0.644 0.532 0.800 0.533 CB 1.315 28 residues pruned to eliminate duplicates Z: 11 15.995 1.973 0.361 0.863 1.000 0.900 CA 1.382 11 residues pruned to eliminate duplicates Z: 37 18.590 2.153 0.455 0.345 0.806 0.500 CB 1.453 37 residues pruned to eliminate duplicates Z: 29 35.449 2.039 0.668 0.893 0.929 0.464 CA 1.523 29 residues pruned to eliminate duplicates Z: 26 31.270 1.982 0.779 0.809 0.920 0.480 CA 1.474 33 residues pruned to eliminate duplicates Z: 8 23.714 2.251 0.595 0.886 1.000 0.714 CA 1.801 8 residues pruned to eliminate duplicates Z: 15 16.509 1.770 0.404 0.909 1.000 0.857 CA 1.260 14 residues pruned to eliminate duplicates Z: 29 39.276 2.141 0.854 0.675 1.000 0.714 CB 1.592 29 residues pruned to eliminate duplicates Z: 11 18.896 2.019 0.776 0.804 1.000 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 62 40.822 2.068 0.686 0.627 0.852 0.639 CB 1.561 62 residues pruned to eliminate duplicates Z: 10 29.436 2.126 1.184 0.931 1.000 0.667 CB 1.477 10 residues pruned to eliminate duplicates Z: 44 32.004 1.880 0.605 0.815 0.907 0.721 CA 1.356 37 residues pruned to eliminate duplicates Z: 18 26.966 1.859 1.036 0.861 0.941 0.882 CA 1.349 18 residues pruned to eliminate duplicates Z: 9 7.821 2.136 0.317 0.398 0.875 0.750 CB 1.251 10 residues pruned to eliminate duplicates Z: 15 44.096 2.238 1.142 0.921 1.000 0.714 CA 1.730 15 residues pruned to eliminate duplicates Z: 25 38.443 2.082 0.813 0.949 0.958 0.625 CA 1.497 25 residues pruned to eliminate duplicates Z: 17 26.183 2.018 0.910 0.863 0.938 0.750 CA 1.330 17 residues pruned to eliminate duplicates Z: 60 37.748 2.257 0.531 0.473 0.915 0.542 CB 1.598 60 residues pruned to eliminate duplicates Z: 36 26.457 2.223 0.541 0.455 0.886 0.571 CB 1.544 36 residues pruned to eliminate duplicates Z: 10 21.104 2.123 0.543 0.813 1.000 0.667 N 1.635 10 residues pruned to eliminate duplicates Z: 13 31.108 2.082 0.732 0.908 1.000 0.917 CA 1.769 13 residues pruned to eliminate duplicates Z: 13 8.453 2.044 0.416 0.307 0.833 0.500 CB 1.254 13 residues pruned to eliminate duplicates Z: 25 35.374 2.065 0.677 0.936 0.958 0.542 CA 1.515 25 residues pruned to eliminate duplicates Z: 29 31.716 1.990 0.653 0.879 0.929 0.714 CA 1.423 29 residues pruned to eliminate duplicates Z: 27 33.459 2.082 0.688 0.932 0.962 0.846 CA 1.357 28 residues pruned to eliminate duplicates Z: 62 38.505 2.196 0.540 0.551 0.934 0.623 CB 1.484 62 residues pruned to eliminate duplicates Z: 10 14.757 2.057 0.478 0.834 0.889 0.444 CB 1.364 10 residues pruned to eliminate duplicates Z: 22 31.101 2.049 0.901 0.672 0.905 0.667 CA 1.643 22 residues pruned to eliminate duplicates Z: 11 14.624 2.008 0.431 0.766 0.900 0.600 CA 1.413 11 residues pruned to eliminate duplicates Z: 53 23.665 2.088 0.468 0.453 0.846 0.519 CB 1.328 53 residues pruned to eliminate duplicates Z: 13 10.150 1.496 0.193 0.883 1.000 0.833 CA 1.187 Z: 37 22.623 2.111 0.508 0.471 0.917 0.583 CB 1.330 37 residues pruned to eliminate duplicates Z: 14 14.783 1.802 0.505 0.783 1.000 0.692 CA 1.179 14 residues pruned to eliminate duplicates Z: 13 19.962 1.884 0.595 0.877 1.000 0.833 CA 1.393 13 residues pruned to eliminate duplicates Z: 12 19.518 2.012 0.665 0.820 1.000 0.636 CA 1.331 12 residues pruned to eliminate duplicates Z: 36 24.461 2.009 0.577 0.519 0.886 0.514 CB 1.445 36 residues pruned to eliminate duplicates Z: 32 20.416 1.961 0.550 0.540 0.871 0.484 CB 1.332 32 residues pruned to eliminate duplicates Z: 7 5.604 1.752 0.489 0.510 0.833 0.833 N 1.042 7 residues pruned to eliminate duplicates Z: 18 33.367 2.033 1.094 0.899 1.000 0.706 CB 1.359 18 residues pruned to eliminate duplicates Z: 37 21.081 2.085 0.533 0.434 0.833 0.472 CB 1.412 37 residues pruned to eliminate duplicates Z: 8 3.452 1.673 0.084 0.213 0.857 0.429 CB 1.177 Z: 8 6.504 1.853 0.475 0.530 1.000 0.714 CB 0.872 7 residues pruned to eliminate duplicates Z: 10 24.807 2.018 0.756 0.894 1.000 0.889 CB 1.674 10 residues pruned to eliminate duplicates Z: 16 18.739 1.957 0.416 0.860 0.933 0.867 CB 1.376 16 residues pruned to eliminate duplicates Z: 13 15.182 1.827 0.499 0.837 1.000 0.667 CA 1.197 13 residues pruned to eliminate duplicates Z: 57 49.769 2.126 0.944 0.695 0.893 0.679 CB 1.508 65 residues pruned to eliminate duplicates Z: 30 59.921 2.318 1.098 0.910 0.931 0.379 CB 1.743 30 residues pruned to eliminate duplicates Z: 62 74.393 2.318 0.940 0.752 0.967 0.639 CA 1.749 62 residues pruned to eliminate duplicates Z: 26 73.635 2.474 1.258 0.952 1.000 0.400 CB 1.816 26 residues pruned to eliminate duplicates Z: 47 55.718 2.223 0.938 0.834 0.891 0.478 CB 1.605 47 residues pruned to eliminate duplicates Z: 11 16.579 1.989 0.661 0.798 1.000 0.600 CB 1.222 11 residues pruned to eliminate duplicates Z: 10 22.170 2.120 0.986 0.904 0.889 0.333 CB 1.407 10 residues pruned to eliminate duplicates Z: 17 29.641 1.989 0.971 0.894 1.000 0.750 CB 1.356 17 residues pruned to eliminate duplicates Z: 17 10.114 2.083 0.370 0.322 0.812 0.562 CB 1.327 17 residues pruned to eliminate duplicates Z: 15 32.912 2.092 1.025 0.870 1.000 0.786 CA 1.516 15 residues pruned to eliminate duplicates Z: 18 28.109 1.984 0.778 0.872 1.000 0.765 CA 1.408 17 residues pruned to eliminate duplicates Z: 17 20.373 1.958 0.463 0.911 1.000 0.938 CB 1.260 17 residues pruned to eliminate duplicates Z: 14 33.715 2.175 0.862 0.906 1.000 1.000 CA 1.642 14 residues pruned to eliminate duplicates Z: 14 21.997 2.040 0.556 0.935 1.000 1.000 CB 1.340 14 residues pruned to eliminate duplicates Z: 13 14.700 1.813 0.366 0.845 1.000 0.750 CA 1.274 13 residues pruned to eliminate duplicates Z: 17 36.683 2.134 0.882 0.829 1.000 0.688 CA 1.718 17 residues pruned to eliminate duplicates Z: 12 12.805 1.714 0.339 0.890 1.000 0.636 CB 1.210 11 residues pruned to eliminate duplicates Z: 25 26.659 1.949 0.628 0.848 0.917 0.542 CA 1.388 25 residues pruned to eliminate duplicates Z: 17 31.550 2.004 0.712 0.852 1.000 0.625 CA 1.701 17 residues pruned to eliminate duplicates Z: 30 34.856 2.022 0.669 0.885 0.931 0.690 CA 1.487 30 residues pruned to eliminate duplicates Z: 26 9.821 1.676 0.529 0.396 0.880 0.640 CB 0.973 11 residues pruned to eliminate duplicates Z: 27 67.653 2.390 1.273 0.955 0.923 0.231 CB 1.818 27 residues pruned to eliminate duplicates Z: 12 19.351 2.058 0.545 0.854 1.000 0.909 CB 1.354 12 residues pruned to eliminate duplicates Z: 13 12.217 1.909 0.452 0.606 0.917 0.417 CB 1.254 13 residues pruned to eliminate duplicates Z: 15 31.857 2.093 1.123 0.939 1.000 0.786 CB 1.332 15 residues pruned to eliminate duplicates Z: 9 6.331 1.620 0.915 0.528 0.875 0.625 CB 0.802 9 residues pruned to eliminate duplicates Z: 10 10.057 1.661 0.300 0.892 0.889 0.667 CB 1.255 Z: 17 25.440 1.949 0.933 0.884 1.000 0.688 CB 1.220 17 residues pruned to eliminate duplicates Z: 14 30.406 2.289 0.873 0.873 0.923 0.769 CB 1.553 14 residues pruned to eliminate duplicates Z: 6 6.922 1.758 0.507 0.583 0.800 0.600 CA 1.350 6 residues pruned to eliminate duplicates Z: 9 15.616 2.159 0.289 0.830 1.000 0.875 CB 1.491 9 residues pruned to eliminate duplicates Z: 16 27.436 2.086 0.621 0.890 1.000 0.933 CA 1.507 16 residues pruned to eliminate duplicates Z: 16 29.335 2.022 0.840 0.903 1.000 1.000 CA 1.451 17 residues pruned to eliminate duplicates Z: 10 18.980 1.828 0.821 0.856 1.000 0.778 CB 1.402 Z: 29 42.391 2.047 0.874 0.907 1.000 0.536 CA 1.485 29 residues pruned to eliminate duplicates Z: 12 18.250 1.859 0.667 0.823 0.909 0.818 CA 1.476 13 residues pruned to eliminate duplicates Z: 32 28.659 2.237 0.737 0.464 0.935 0.516 CB 1.469 32 residues pruned to eliminate duplicates Z: 39 19.482 1.931 0.554 0.514 0.763 0.447 CB 1.361 39 residues pruned to eliminate duplicates Z: 13 19.983 1.921 0.604 0.865 1.000 0.917 CA 1.371 13 residues pruned to eliminate duplicates Z: 15 40.097 2.159 1.247 0.875 1.000 0.929 CA 1.607 15 residues pruned to eliminate duplicates Z: 10 21.213 1.992 0.606 0.888 1.000 0.889 CA 1.593 10 residues pruned to eliminate duplicates Z: 13 20.782 1.918 0.550 0.888 1.000 0.833 CA 1.453 13 residues pruned to eliminate duplicates Z: 28 61.488 2.396 1.037 0.933 1.000 0.926 CA 1.692 28 residues pruned to eliminate duplicates Z: 8 4.782 1.735 0.219 0.403 0.857 0.429 CB 1.105 Z: 77 44.249 2.087 0.566 0.625 0.921 0.592 CB 1.497 77 residues pruned to eliminate duplicates Z: 36 21.115 1.956 0.783 0.455 0.829 0.457 CB 1.293 36 residues pruned to eliminate duplicates Z: 13 15.999 1.876 0.670 0.760 0.917 0.833 CA 1.277 13 residues pruned to eliminate duplicates Z: 10 5.166 1.585 0.451 0.462 0.889 0.556 N 0.876 Z: 44 61.909 2.284 0.884 0.834 0.930 0.791 CA 1.768 44 residues pruned to eliminate duplicates Z: 22 23.201 2.195 0.656 0.596 0.857 0.524 CB 1.483 22 residues pruned to eliminate duplicates Z: 34 29.897 2.249 0.616 0.427 0.970 0.515 CB 1.592 34 residues pruned to eliminate duplicates Z: 46 74.021 2.269 1.148 0.836 0.956 0.600 CA 1.773 46 residues pruned to eliminate duplicates Z: 33 26.121 2.199 0.690 0.456 0.969 0.562 CB 1.342 33 residues pruned to eliminate duplicates Z: 24 27.529 1.837 0.688 0.844 0.957 0.696 CB 1.440 24 residues pruned to eliminate duplicates Z: 16 26.093 2.009 1.108 0.929 1.000 0.600 CB 1.113 16 residues pruned to eliminate duplicates Z: 12 12.234 1.800 0.071 0.873 1.000 0.909 CB 1.393 12 residues pruned to eliminate duplicates Z: 14 15.067 1.832 0.391 0.881 0.923 0.846 CA 1.287 14 residues pruned to eliminate duplicates Z: 45 72.238 2.308 1.095 0.842 0.909 0.477 CA 1.847 45 residues pruned to eliminate duplicates Z: 17 16.020 1.985 0.655 0.582 0.750 0.500 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 13.991 1.662 0.619 0.889 0.889 0.778 CB 1.404 10 residues pruned to eliminate duplicates Z: 9 14.264 1.712 0.473 0.898 1.000 0.625 CA 1.430 9 residues pruned to eliminate duplicates Z: 7 5.776 1.778 0.738 0.402 0.667 0.500 C 1.269 7 residues pruned to eliminate duplicates Z: 18 28.066 1.966 0.854 0.868 0.941 0.824 CA 1.451 17 residues pruned to eliminate duplicates Z: 6 6.439 1.662 0.523 0.795 0.800 0.600 CB 1.098 6 residues pruned to eliminate duplicates Z: 16 21.475 2.049 0.739 0.861 0.867 0.867 CA 1.319 16 residues pruned to eliminate duplicates Z: 13 7.863 1.721 0.586 0.376 0.833 0.500 CB 1.139 Z: 36 23.159 2.078 0.550 0.442 0.914 0.543 CB 1.411 36 residues pruned to eliminate duplicates Z: 7 5.975 1.480 0.409 0.839 0.833 0.667 CB 1.048 7 residues pruned to eliminate duplicates Z: 17 26.186 2.086 0.618 0.784 0.875 0.500 CB 1.726 17 residues pruned to eliminate duplicates Z: 8 9.028 1.852 0.534 0.596 0.857 0.571 N 1.278 Z: 12 12.503 1.505 0.420 0.915 1.000 0.636 CB 1.246 10 residues pruned to eliminate duplicates Z: 55 43.913 2.014 0.648 0.700 0.963 0.778 CB 1.558 55 residues pruned to eliminate duplicates Z: 14 30.494 2.121 0.668 0.930 1.000 0.923 N 1.672 14 residues pruned to eliminate duplicates Z: 10 6.904 1.579 0.524 0.525 0.889 0.667 CB 1.050 9 residues pruned to eliminate duplicates Z: 13 13.740 1.555 0.393 0.923 1.000 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 46 29.331 2.031 0.620 0.605 0.867 0.667 CB 1.388 46 residues pruned to eliminate duplicates Z: 27 41.366 2.048 0.929 0.940 0.885 0.423 CB 1.612 27 residues pruned to eliminate duplicates Z: 18 10.352 1.478 0.457 0.912 0.941 0.706 CB 0.877 Z: 13 7.612 1.625 0.573 0.428 1.000 0.417 CB 0.927 13 residues pruned to eliminate duplicates Z: 34 26.551 2.039 0.707 0.626 0.909 0.606 CB 1.297 26 residues pruned to eliminate duplicates Z: 17 30.243 2.037 0.940 0.929 1.000 0.688 CA 1.339 17 residues pruned to eliminate duplicates Z: 12 18.440 1.933 0.619 0.786 0.909 0.636 CB 1.520 12 residues pruned to eliminate duplicates Z: 16 31.509 2.032 1.067 0.890 1.000 0.800 CB 1.394 16 residues pruned to eliminate duplicates Z: 11 9.535 1.871 0.402 0.675 0.800 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 72 30.368 2.079 0.535 0.461 0.831 0.521 CB 1.415 72 residues pruned to eliminate duplicates Z: 11 13.426 2.162 0.439 0.856 0.800 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 12 17.970 1.867 0.605 0.738 0.909 0.545 N 1.607 12 residues pruned to eliminate duplicates Z: 18 31.780 2.104 1.016 0.862 0.941 0.647 CB 1.418 18 residues pruned to eliminate duplicates Z: 7 5.444 1.630 0.351 0.689 0.833 0.667 N 1.019 Z: 32 32.449 2.056 0.833 0.714 0.935 0.742 CB 1.362 32 residues pruned to eliminate duplicates Z: 14 36.032 2.163 1.008 0.909 1.000 1.000 CA 1.632 14 residues pruned to eliminate duplicates Z: 17 29.470 2.009 0.881 0.844 0.938 0.625 CA 1.548 17 residues pruned to eliminate duplicates Z: 44 26.545 1.935 0.577 0.637 0.930 0.488 CB 1.255 45 residues pruned to eliminate duplicates Z: 12 12.356 1.737 0.364 0.881 0.909 0.818 CB 1.253 12 residues pruned to eliminate duplicates Z: 16 20.108 1.998 0.214 0.918 1.000 0.933 CA 1.509 16 residues pruned to eliminate duplicates Z: 10 8.416 1.760 0.505 0.508 0.889 0.556 CB 1.181 Z: 7 5.936 1.846 0.497 0.777 0.500 0.500 CB 1.374 7 residues pruned to eliminate duplicates Z: 7 14.118 2.060 0.615 0.704 1.000 0.333 CA 1.439 7 residues pruned to eliminate duplicates Z: 16 29.206 1.972 0.678 0.869 1.000 0.933 CA 1.665 16 residues pruned to eliminate duplicates Z: 10 6.859 2.038 0.273 0.420 0.778 0.333 CB 1.231 10 residues pruned to eliminate duplicates Z: 15 18.357 1.939 0.692 0.910 1.000 0.786 CB 1.060 15 residues pruned to eliminate duplicates Z: 22 25.221 1.831 0.681 0.872 0.905 0.524 CB 1.441 22 residues pruned to eliminate duplicates Z: 15 18.909 1.995 0.407 0.905 1.000 1.000 CB 1.282 15 residues pruned to eliminate duplicates Z: 14 31.931 2.287 1.006 0.896 1.000 0.615 CB 1.383 14 residues pruned to eliminate duplicates Z: 10 24.936 2.270 0.723 0.909 0.889 0.778 CB 1.697 10 residues pruned to eliminate duplicates Z: 15 27.032 2.249 0.954 0.842 0.929 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 13 22.429 1.894 0.831 0.850 1.000 0.833 N 1.383 13 residues pruned to eliminate duplicates Z: 21 29.410 2.321 0.901 0.661 0.850 0.700 CB 1.511 21 residues pruned to eliminate duplicates Z: 39 70.455 2.463 1.047 0.857 0.974 0.368 CB 1.716 39 residues pruned to eliminate duplicates Z: 40 35.450 2.138 0.735 0.668 0.897 0.590 CB 1.460 40 residues pruned to eliminate duplicates Z: 13 19.785 1.901 0.622 0.878 1.000 0.583 CA 1.344 13 residues pruned to eliminate duplicates Z: 11 20.290 2.111 0.569 0.800 1.000 0.700 CB 1.490 11 residues pruned to eliminate duplicates Z: 40 31.399 2.046 0.639 0.641 0.923 0.590 CB 1.424 40 residues pruned to eliminate duplicates Z: 11 9.222 1.648 0.136 0.844 1.000 0.700 CB 1.159 Z: 28 40.729 2.028 0.834 0.932 0.963 0.815 CA 1.528 28 residues pruned to eliminate duplicates Z: 10 15.747 1.956 0.571 0.816 1.000 0.556 CB 1.298 10 residues pruned to eliminate duplicates Z: 30 24.080 2.019 0.695 0.604 0.897 0.586 CB 1.319 30 residues pruned to eliminate duplicates Z: 10 9.579 1.912 0.239 0.679 0.889 0.556 CB 1.286 10 residues pruned to eliminate duplicates Z: 21 26.114 1.950 0.311 0.915 1.000 0.900 CB 1.615 21 residues pruned to eliminate duplicates Z: 15 21.731 1.983 0.501 0.875 1.000 0.929 CA 1.419 15 residues pruned to eliminate duplicates Z: 17 28.233 2.131 0.797 0.891 1.000 0.688 CB 1.326 17 residues pruned to eliminate duplicates Z: 10 14.930 1.836 0.602 0.827 1.000 0.556 CB 1.275 10 residues pruned to eliminate duplicates Z: 6 4.315 1.639 0.470 0.353 0.800 0.600 CB 1.174 Z: 17 19.516 1.940 0.685 0.885 1.000 0.688 CB 1.078 17 residues pruned to eliminate duplicates Z: 12 24.339 1.918 0.843 0.929 1.000 0.727 CB 1.453 12 residues pruned to eliminate duplicates Z: 24 37.163 1.990 0.985 0.914 0.957 0.304 CB 1.450 24 residues pruned to eliminate duplicates Z: 15 34.071 2.049 1.028 0.919 1.000 0.786 CA 1.545 16 residues pruned to eliminate duplicates Z: 60 34.929 2.250 0.513 0.489 0.881 0.644 CB 1.533 60 residues pruned to eliminate duplicates Z: 57 72.624 2.338 1.040 0.778 0.929 0.518 CB 1.714 57 residues pruned to eliminate duplicates Z: 24 38.290 2.126 0.744 0.952 0.957 0.565 CA 1.550 24 residues pruned to eliminate duplicates Z: 37 44.914 2.114 0.914 0.792 0.917 0.694 CB 1.562 36 residues pruned to eliminate duplicates Z: 63 42.262 2.082 0.588 0.631 0.935 0.726 CB 1.534 63 residues pruned to eliminate duplicates Z: 11 11.209 2.133 0.477 0.457 0.800 0.600 CB 1.470 11 residues pruned to eliminate duplicates Z: 16 33.103 2.081 0.913 0.935 1.000 0.867 CA 1.496 16 residues pruned to eliminate duplicates Z: 18 23.813 1.959 0.569 0.803 0.941 0.706 CA 1.532 18 residues pruned to eliminate duplicates Z: 19 5.840 1.768 0.345 0.165 0.722 0.333 CB 1.205 19 residues pruned to eliminate duplicates Z: 33 26.903 2.028 0.644 0.576 0.906 0.531 CB 1.462 33 residues pruned to eliminate duplicates Z: 9 14.714 1.994 0.267 0.756 1.000 0.750 CA 1.640 9 residues pruned to eliminate duplicates Z: 100 71.358 2.143 0.914 0.688 0.939 0.384 CB 1.568 101 residues pruned to eliminate duplicates Z: 10 9.830 1.574 0.216 0.876 1.000 0.444 CA 1.244 10 residues pruned to eliminate duplicates Z: 53 50.692 2.068 0.749 0.710 0.981 0.731 CB 1.637 53 residues pruned to eliminate duplicates Z: 7 2.877 1.616 -0.068 0.375 0.833 0.500 CB 1.070 Z: 14 14.530 1.547 0.714 0.871 1.000 0.615 CB 1.109 13 residues pruned to eliminate duplicates Z: 13 10.475 1.525 0.518 0.855 0.833 0.417 CB 1.157 13 residues pruned to eliminate duplicates Z: 15 20.247 1.744 0.682 0.924 1.000 0.857 N 1.295 15 residues pruned to eliminate duplicates Z: 18 34.289 2.138 0.716 0.770 1.000 0.706 CA 1.785 18 residues pruned to eliminate duplicates Z: 13 13.883 1.615 0.567 0.888 0.917 0.667 CA 1.245 13 residues pruned to eliminate duplicates Z: 18 30.390 2.107 0.834 0.898 1.000 0.765 CB 1.364 18 residues pruned to eliminate duplicates Z: 10 25.902 1.963 0.925 0.919 1.000 0.889 CB 1.609 10 residues pruned to eliminate duplicates Z: 13 6.680 1.629 0.834 0.470 0.750 0.500 CB 0.887 13 residues pruned to eliminate duplicates Z: 9 4.962 2.112 0.079 0.295 0.875 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 18 25.350 2.031 0.789 0.865 1.000 0.765 CB 1.240 18 residues pruned to eliminate duplicates Z: 20 16.357 1.640 0.626 0.730 0.947 0.526 CB 1.208 20 residues pruned to eliminate duplicates Z: 10 6.838 1.904 0.241 0.669 0.667 0.444 CB 1.237 10 residues pruned to eliminate duplicates Z: 11 22.123 2.015 0.705 0.847 1.000 0.700 CB 1.512 11 residues pruned to eliminate duplicates Z: 16 21.134 2.226 0.575 0.653 0.933 0.733 CB 1.446 16 residues pruned to eliminate duplicates Z: 19 23.160 1.918 0.359 0.916 1.000 0.889 CB 1.479 19 residues pruned to eliminate duplicates Z: 11 21.612 2.011 0.610 0.876 1.000 0.900 CA 1.534 11 residues pruned to eliminate duplicates Z: 8 3.325 1.393 0.599 0.344 0.857 0.571 N 0.780 Z: 6 6.153 1.761 0.535 0.646 0.800 0.800 CB 1.111 6 residues pruned to eliminate duplicates Z: 57 35.704 2.162 0.733 0.483 0.839 0.411 CB 1.544 57 residues pruned to eliminate duplicates Z: 12 8.550 1.865 0.311 0.599 0.909 0.545 CB 1.055 12 residues pruned to eliminate duplicates Z: 11 9.793 1.672 0.269 0.863 1.000 0.700 CB 1.071 11 residues pruned to eliminate duplicates Z: 9 10.089 1.746 0.212 0.843 1.000 1.000 CB 1.255 9 residues pruned to eliminate duplicates Z: 65 44.063 2.187 0.686 0.569 0.953 0.562 CB 1.465 65 residues pruned to eliminate duplicates Z: 11 10.256 1.638 0.289 0.876 1.000 0.900 CB 1.115 11 residues pruned to eliminate duplicates Z: 13 9.906 1.833 0.718 0.332 0.750 0.500 CB 1.454 13 residues pruned to eliminate duplicates Z: 6 4.527 1.878 -0.097 0.524 1.000 0.600 CB 1.166 Z: 67 37.977 2.084 0.702 0.485 0.879 0.485 CB 1.522 52 residues pruned to eliminate duplicates Z: 7 3.944 1.673 0.378 0.348 0.667 0.667 CB 1.236 Z: 8 11.786 2.010 -0.025 0.901 1.000 0.857 N 1.622 8 residues pruned to eliminate duplicates Z: 7 3.160 1.408 0.259 0.364 0.833 0.500 CB 1.011 Z: 62 83.633 2.350 1.090 0.774 0.967 0.770 CA 1.770 62 residues pruned to eliminate duplicates Z: 24 13.732 1.954 0.813 0.389 0.739 0.435 CB 1.229 24 residues pruned to eliminate duplicates Z: 8 2.276 1.529 0.503 0.146 0.571 0.286 CB 1.015 Z: 11 6.011 1.976 0.442 0.344 0.700 0.600 CB 1.129 11 residues pruned to eliminate duplicates Z: 9 18.171 1.961 0.978 0.812 0.875 0.500 CA 1.442 9 residues pruned to eliminate duplicates Z: 19 27.427 2.011 0.639 0.789 0.944 0.722 CA 1.610 19 residues pruned to eliminate duplicates Z: 78 32.955 2.080 0.618 0.449 0.844 0.442 CB 1.393 78 residues pruned to eliminate duplicates Z: 14 5.729 1.632 0.273 0.394 0.846 0.538 CB 1.011 28 residues pruned to eliminate duplicates Z: 11 12.138 1.663 0.419 0.899 1.000 0.800 CB 1.163 11 residues pruned to eliminate duplicates Z: 8 5.386 1.475 0.814 0.193 0.857 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 12 11.603 1.609 0.095 0.932 1.000 0.818 CA 1.387 12 residues pruned to eliminate duplicates Z: 93 47.786 2.106 0.598 0.561 0.935 0.641 CB 1.493 93 residues pruned to eliminate duplicates Z: 12 10.060 1.788 0.234 0.858 1.000 0.909 CB 1.013 12 residues pruned to eliminate duplicates 6 1.702 1.389 0.595 0.329 0.800 0.200 CB 0.518 ? Z: 29 42.505 2.027 0.867 0.909 1.000 0.464 CA 1.507 29 residues pruned to eliminate duplicates Z: 6 10.304 1.616 0.815 0.649 1.000 0.600 N 1.368 7 residues pruned to eliminate duplicates Z: 10 22.006 2.007 0.942 0.825 1.000 0.667 CB 1.421 10 residues pruned to eliminate duplicates Z: 7 13.368 2.135 0.486 0.743 1.000 0.667 CA 1.383 7 residues pruned to eliminate duplicates Z: 17 36.895 2.117 1.231 0.923 1.000 0.562 CA 1.372 17 residues pruned to eliminate duplicates Z: 13 11.855 1.512 0.234 0.873 1.000 0.750 O 1.336 13 residues pruned to eliminate duplicates Z: 14 15.939 2.109 0.680 0.571 0.846 0.462 CB 1.377 14 residues pruned to eliminate duplicates Z: 38 38.335 2.150 0.702 0.686 0.946 0.649 CB 1.534 38 residues pruned to eliminate duplicates Z: 16 25.743 2.067 0.502 0.888 1.000 0.933 CA 1.543 16 residues pruned to eliminate duplicates Z: 10 4.677 1.701 0.210 0.311 0.778 0.556 CB 1.200 18 residues pruned to eliminate duplicates Z: 8 11.143 1.723 0.573 0.779 0.857 0.857 CA 1.417 8 residues pruned to eliminate duplicates Z: 23 22.479 2.096 0.630 0.550 0.955 0.636 CB 1.399 23 residues pruned to eliminate duplicates Z: 14 32.087 2.347 1.188 0.874 0.923 0.846 CB 1.366 14 residues pruned to eliminate duplicates Z: 16 12.950 2.113 0.126 0.486 0.933 0.600 CA 1.527 18 residues pruned to eliminate duplicates Z: 15 16.684 1.622 0.454 0.857 1.000 0.714 CB 1.393 15 residues pruned to eliminate duplicates Z: 20 25.113 1.872 0.585 0.858 0.947 0.684 CA 1.509 20 residues pruned to eliminate duplicates Z: 25 29.211 2.005 0.689 0.706 0.958 0.625 CA 1.523 25 residues pruned to eliminate duplicates Z: 20 23.397 1.827 0.498 0.914 1.000 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 15 25.540 1.938 0.820 0.921 1.000 0.857 CB 1.362 15 residues pruned to eliminate duplicates Z: 12 19.396 1.932 0.704 0.887 1.000 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 32 20.894 1.982 0.555 0.576 0.903 0.581 CB 1.252 32 residues pruned to eliminate duplicates Z: 41 33.057 2.087 0.717 0.655 0.900 0.625 CB 1.403 41 residues pruned to eliminate duplicates Z: 12 19.886 1.959 0.799 0.602 1.000 0.455 CA 1.544 12 residues pruned to eliminate duplicates Z: 44 34.578 2.291 0.667 0.530 0.860 0.512 CB 1.557 44 residues pruned to eliminate duplicates Z: 28 68.665 2.422 1.213 0.918 0.963 0.259 CB 1.805 28 residues pruned to eliminate duplicates Z: 16 13.480 1.611 0.459 0.816 0.933 0.733 CB 1.206 17 residues pruned to eliminate duplicates Z: 9 4.052 1.385 0.728 0.255 0.750 0.625 CA 1.057 Z: 10 7.364 1.780 0.331 0.668 0.667 0.556 CB 1.330 10 residues pruned to eliminate duplicates Z: 14 7.327 1.645 0.560 0.430 0.769 0.615 CB 1.107 Z: 13 10.248 2.031 0.419 0.346 0.917 0.417 CB 1.323 13 residues pruned to eliminate duplicates Z: 18 24.103 2.046 0.834 0.605 0.941 0.824 CA 1.497 18 residues pruned to eliminate duplicates Z: 62 43.137 2.185 0.678 0.578 0.934 0.557 CB 1.495 62 residues pruned to eliminate duplicates Z: 8 5.017 1.339 0.542 0.656 0.857 0.429 CB 0.927 Z: 19 6.729 1.839 0.330 0.194 0.833 0.278 CB 1.122 19 residues pruned to eliminate duplicates Z: 16 29.442 2.019 0.887 0.892 1.000 0.800 CB 1.434 16 residues pruned to eliminate duplicates Z: 48 57.286 2.252 0.958 0.729 0.936 0.617 CA 1.647 48 residues pruned to eliminate duplicates Z: 18 33.134 2.036 0.875 0.790 0.941 0.588 CA 1.734 18 residues pruned to eliminate duplicates Z: 8 3.905 1.678 -0.039 0.847 0.857 0.857 CB 0.793 8 residues pruned to eliminate duplicates Z: 18 12.899 1.831 0.681 0.430 0.941 0.529 CB 1.162 28 residues pruned to eliminate duplicates Z: 10 15.131 1.952 0.250 0.894 1.000 1.000 CB 1.483 10 residues pruned to eliminate duplicates Z: 7 5.833 1.605 0.188 0.830 0.833 0.333 CB 1.127 7 residues pruned to eliminate duplicates Z: 13 16.047 1.553 0.535 0.895 1.000 0.583 CB 1.393 13 residues pruned to eliminate duplicates Z: 10 12.938 1.850 0.520 0.827 0.889 0.778 CA 1.300 10 residues pruned to eliminate duplicates Z: 12 10.876 1.474 0.318 0.892 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 12 10.898 1.918 0.387 0.441 0.909 0.545 CB 1.445 12 residues pruned to eliminate duplicates Z: 45 51.701 2.175 0.931 0.699 0.909 0.682 CB 1.703 45 residues pruned to eliminate duplicates Z: 20 17.275 1.422 0.806 0.940 0.947 0.632 CB 1.131 20 residues pruned to eliminate duplicates Z: 10 17.248 2.091 0.315 0.918 1.000 1.000 CB 1.475 10 residues pruned to eliminate duplicates Z: 9 7.125 1.527 0.625 0.725 0.875 0.625 CB 0.947 9 residues pruned to eliminate duplicates Z: 18 19.515 1.935 0.720 0.578 0.941 0.529 CB 1.402 18 residues pruned to eliminate duplicates Z: 14 38.695 2.173 1.101 0.914 1.000 0.846 N 1.663 14 residues pruned to eliminate duplicates Z: 25 30.714 1.916 1.079 0.782 0.917 0.292 CB 1.339 25 residues pruned to eliminate duplicates Z: 44 35.896 1.891 0.574 0.841 0.930 0.558 CA 1.474 44 residues pruned to eliminate duplicates Z: 56 27.427 1.943 0.687 0.531 0.891 0.545 CB 1.229 48 residues pruned to eliminate duplicates Z: 22 32.750 1.864 0.824 0.917 1.000 0.762 CB 1.483 22 residues pruned to eliminate duplicates Z: 19 22.356 2.061 0.791 0.738 0.889 0.833 CA 1.297 19 residues pruned to eliminate duplicates Z: 29 19.758 2.146 0.472 0.457 0.786 0.500 CB 1.572 29 residues pruned to eliminate duplicates Z: 6 2.348 1.680 0.021 0.646 1.000 1.000 CB 0.534 Z: 17 30.236 2.010 1.003 0.909 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 6 3.258 1.634 0.321 0.100 0.800 0.200 N 1.406 Z: 18 28.266 2.030 0.723 0.785 0.941 0.706 CA 1.621 18 residues pruned to eliminate duplicates Z: 39 32.560 1.995 0.515 0.661 0.947 0.684 CB 1.589 39 residues pruned to eliminate duplicates Z: 10 20.713 1.961 0.652 0.892 1.000 0.667 CA 1.531 10 residues pruned to eliminate duplicates Z: 14 5.219 1.676 0.422 0.398 0.769 0.308 CB 0.879 Z: 9 18.047 1.836 0.774 0.852 1.000 0.875 N 1.449 9 residues pruned to eliminate duplicates Z: 7 2.866 1.341 0.311 0.503 0.833 0.500 CB 0.796 Z: 14 8.417 1.540 0.165 0.615 0.923 0.846 C 1.264 14 residues pruned to eliminate duplicates Z: 11 22.846 2.020 0.742 0.879 1.000 0.800 CB 1.489 11 residues pruned to eliminate duplicates Z: 17 23.445 2.040 0.695 0.880 1.000 0.812 CB 1.228 17 residues pruned to eliminate duplicates Z: 6 3.528 1.153 0.924 0.585 1.000 0.600 CA 0.656 Z: 19 15.567 2.022 0.445 0.373 0.944 0.500 CB 1.524 39 residues pruned to eliminate duplicates Z: 55 31.448 2.148 0.626 0.475 0.889 0.593 CB 1.413 55 residues pruned to eliminate duplicates Z: 67 33.207 2.074 0.668 0.494 0.833 0.561 CB 1.427 67 residues pruned to eliminate duplicates Z: 7 9.275 1.505 0.999 0.756 1.000 0.667 CB 1.002 8 residues pruned to eliminate duplicates Z: 13 12.527 1.565 0.413 0.894 0.833 0.500 CB 1.408 13 residues pruned to eliminate duplicates Z: 11 10.015 1.517 0.271 0.900 0.900 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 30 51.190 2.276 0.919 0.882 0.966 0.655 CA 1.631 30 residues pruned to eliminate duplicates Z: 75 37.835 2.125 0.653 0.492 0.878 0.608 CB 1.436 75 residues pruned to eliminate duplicates Z: 31 41.040 2.101 0.894 0.674 0.967 0.600 CB 1.658 31 residues pruned to eliminate duplicates Z: 21 10.731 1.891 0.591 0.456 0.900 0.500 CB 0.927 21 residues pruned to eliminate duplicates Z: 44 52.941 2.106 1.070 0.759 0.930 0.465 CB 1.581 44 residues pruned to eliminate duplicates Z: 29 16.968 2.105 0.517 0.400 0.821 0.357 CB 1.358 29 residues pruned to eliminate duplicates Z: 17 8.312 1.949 0.420 0.247 0.750 0.375 CB 1.339 17 residues pruned to eliminate duplicates Z: 12 15.308 1.663 0.598 0.846 1.000 0.545 CA 1.290 12 residues pruned to eliminate duplicates Z: 7 4.433 1.768 0.731 0.544 0.667 0.500 CB 0.849 Z: 21 28.976 1.929 0.723 0.890 0.950 0.650 CB 1.476 21 residues pruned to eliminate duplicates Z: 12 14.417 1.855 0.537 0.866 1.000 1.000 CA 1.116 12 residues pruned to eliminate duplicates Z: 35 32.531 2.022 0.940 0.600 0.882 0.588 CB 1.466 35 residues pruned to eliminate duplicates Z: 19 13.343 1.900 0.636 0.369 0.889 0.444 CB 1.309 19 residues pruned to eliminate duplicates Z: 11 22.116 2.199 0.972 0.893 0.800 0.500 CB 1.447 11 residues pruned to eliminate duplicates Z: 49 27.297 1.932 0.597 0.641 0.854 0.438 CB 1.310 49 residues pruned to eliminate duplicates Z: 12 12.961 1.754 0.749 0.810 1.000 0.727 CB 0.972 9 residues pruned to eliminate duplicates Z: 38 33.351 2.023 0.505 0.687 0.946 0.649 CB 1.604 38 residues pruned to eliminate duplicates Z: 21 54.658 2.453 1.078 0.892 1.000 0.700 CA 1.722 21 residues pruned to eliminate duplicates Z: 39 35.234 2.157 0.563 0.644 0.947 0.737 CA 1.564 39 residues pruned to eliminate duplicates Z: 32 42.398 2.000 0.830 0.890 0.968 0.774 CA 1.547 32 residues pruned to eliminate duplicates Z: 22 29.708 1.849 0.673 0.887 1.000 0.667 CB 1.511 22 residues pruned to eliminate duplicates Z: 40 20.194 2.049 0.433 0.379 0.872 0.538 CB 1.437 40 residues pruned to eliminate duplicates Z: 8 10.484 1.612 0.543 0.882 0.857 0.429 CB 1.345 8 residues pruned to eliminate duplicates Z: 17 27.529 2.068 0.883 0.886 0.938 0.375 CA 1.360 17 residues pruned to eliminate duplicates Z: 13 16.507 1.904 0.336 0.899 0.917 0.917 CB 1.461 13 residues pruned to eliminate duplicates Z: 17 11.615 1.968 0.506 0.272 0.938 0.500 CB 1.354 17 residues pruned to eliminate duplicates Z: 9 9.467 1.808 0.320 0.697 1.000 0.875 CB 1.172 Z: 50 43.052 2.046 0.640 0.701 0.959 0.755 CB 1.592 50 residues pruned to eliminate duplicates 7 1.570 1.450 0.142 0.250 0.833 0.500 CB 0.620 ? Z: 14 14.921 1.768 0.523 0.822 1.000 0.846 CA 1.163 14 residues pruned to eliminate duplicates Z: 9 25.997 2.044 0.912 0.909 1.000 0.750 CB 1.668 9 residues pruned to eliminate duplicates Z: 11 12.982 1.869 0.777 0.893 1.000 0.800 CB 0.887 11 residues pruned to eliminate duplicates Z: 10 24.298 1.982 0.798 0.891 1.000 0.667 CA 1.635 10 residues pruned to eliminate duplicates Z: 11 11.229 1.788 0.437 0.764 0.800 0.600 CA 1.368 11 residues pruned to eliminate duplicates Z: 78 42.702 2.051 0.614 0.613 0.896 0.675 CB 1.473 78 residues pruned to eliminate duplicates Z: 13 17.110 1.877 0.435 0.821 1.000 0.917 CA 1.388 13 residues pruned to eliminate duplicates Z: 16 14.644 1.515 0.599 0.915 1.000 0.800 CB 1.104 18 residues pruned to eliminate duplicates Z: 29 56.586 2.325 1.037 0.905 1.000 0.464 CB 1.607 29 residues pruned to eliminate duplicates Z: 52 44.246 2.103 0.695 0.685 0.941 0.863 CB 1.558 52 residues pruned to eliminate duplicates Z: 6 4.402 1.520 0.712 0.749 0.600 0.400 CB 1.009 5 residues pruned to eliminate duplicates Z: 17 26.399 2.132 0.608 0.908 1.000 0.875 CB 1.368 17 residues pruned to eliminate duplicates Z: 16 15.551 1.619 0.475 0.760 1.000 0.533 CB 1.335 15 residues pruned to eliminate duplicates Z: 16 37.193 2.114 1.254 0.903 1.000 0.733 CB 1.437 16 residues pruned to eliminate duplicates Z: 37 31.243 1.988 0.511 0.672 0.944 0.639 CB 1.567 37 residues pruned to eliminate duplicates Z: 9 9.978 1.903 0.420 0.637 0.875 0.250 CB 1.312 9 residues pruned to eliminate duplicates Z: 7 2.158 1.531 0.609 0.247 0.500 0.500 CA 0.957 Z: 7 3.713 1.684 0.202 0.364 0.667 0.333 CB 1.299 6 1.625 1.596 0.443 0.300 0.600 0.400 CB 0.657 ? Z: 10 24.090 2.199 0.629 0.804 1.000 0.889 CA 1.720 10 residues pruned to eliminate duplicates Z: 13 21.582 1.874 0.717 0.915 1.000 0.833 CA 1.368 13 residues pruned to eliminate duplicates 6 1.165 1.464 0.288 0.100 0.600 0.400 CB 0.767 ? 6 0.977 1.411 0.265 0.819 1.000 0.600 CB 0.185 ? Z: 55 29.974 2.060 0.527 0.489 0.907 0.593 CB 1.445 55 residues pruned to eliminate duplicates Z: 15 35.436 2.205 1.013 0.872 0.929 0.571 CB 1.674 15 residues pruned to eliminate duplicates Z: 8 5.507 1.468 0.168 0.662 1.000 0.857 CA 1.045 Z: 10 10.769 1.706 0.490 0.517 1.000 0.889 CA 1.388 14 residues pruned to eliminate duplicates Z: 16 23.391 2.204 0.574 0.910 1.000 1.000 CB 1.234 16 residues pruned to eliminate duplicates Z: 14 10.441 1.599 0.227 0.878 0.923 0.846 CA 1.161 12 residues pruned to eliminate duplicates Z: 9 16.899 1.983 1.020 0.801 0.875 0.625 CA 1.311 9 residues pruned to eliminate duplicates Z: 12 14.599 1.525 0.586 0.896 1.000 0.636 CB 1.304 12 residues pruned to eliminate duplicates Z: 6 7.662 1.567 1.070 0.655 0.800 0.600 C 1.143 7 residues pruned to eliminate duplicates Z: 22 23.754 2.046 0.724 0.626 0.857 0.810 CA 1.523 22 residues pruned to eliminate duplicates Z: 36 54.151 2.354 0.897 0.736 0.914 0.771 CA 1.814 36 residues pruned to eliminate duplicates Z: 14 14.434 1.821 0.663 0.635 0.923 0.692 CB 1.262 15 residues pruned to eliminate duplicates Z: 9 4.353 1.550 0.366 0.315 0.750 0.375 CB 1.189 9 residues pruned to eliminate duplicates 6 1.636 1.397 0.583 0.299 0.800 0.600 CB 0.518 ? Z: 6 2.386 1.415 0.285 0.664 0.800 0.800 CB 0.631 Z: 14 13.996 2.023 0.377 0.622 0.923 0.692 CB 1.346 14 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 10.600 1.636 0.410 0.399 1.000 0.500 CB 1.143 20 residues pruned to eliminate duplicates Z: 11 11.101 1.668 0.320 0.884 1.000 0.800 CB 1.152 11 residues pruned to eliminate duplicates Z: 12 10.783 1.631 0.361 0.824 1.000 0.818 CB 1.106 12 residues pruned to eliminate duplicates Z: 11 11.145 1.686 0.550 0.847 0.900 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 8 8.163 1.755 0.308 0.844 0.857 0.571 CB 1.167 8 residues pruned to eliminate duplicates Z: 13 10.657 1.579 0.590 0.807 1.000 0.583 CB 0.938 13 residues pruned to eliminate duplicates Z: 11 12.480 1.567 0.807 0.900 0.900 0.700 CB 1.106 10 residues pruned to eliminate duplicates Z: 11 14.411 1.678 0.692 0.869 1.000 0.700 CB 1.172 11 residues pruned to eliminate duplicates Z: 11 14.926 1.696 0.729 0.899 1.000 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 11 13.401 1.685 0.607 0.892 1.000 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 37 24.284 2.096 0.627 0.444 0.861 0.583 CB 1.460 37 residues pruned to eliminate duplicates Z: 6 7.104 1.611 0.481 0.635 1.000 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 92 48.039 2.114 0.621 0.570 0.923 0.637 CB 1.488 92 residues pruned to eliminate duplicates Z: 93 47.714 2.103 0.618 0.575 0.913 0.620 CB 1.490 93 residues pruned to eliminate duplicates Z: 90 49.160 2.122 0.653 0.566 0.921 0.596 CB 1.512 90 residues pruned to eliminate duplicates Z: 90 47.769 2.124 0.687 0.563 0.899 0.652 CB 1.479 90 residues pruned to eliminate duplicates Z: 27 23.440 2.185 0.567 0.455 0.923 0.308 CB 1.523 27 residues pruned to eliminate duplicates Z: 88 50.087 2.058 0.688 0.594 0.954 0.667 CB 1.480 88 residues pruned to eliminate duplicates Z: 55 31.703 2.143 0.730 0.467 0.833 0.556 CB 1.444 55 residues pruned to eliminate duplicates Z: 90 50.364 2.128 0.624 0.573 0.955 0.685 CB 1.508 90 residues pruned to eliminate duplicates Z: 91 51.353 2.134 0.662 0.582 0.944 0.633 CB 1.493 92 residues pruned to eliminate duplicates Z: 6 11.748 1.689 0.910 0.770 1.000 0.800 CA 1.283 6 residues pruned to eliminate duplicates Z: 92 51.032 2.117 0.725 0.575 0.912 0.681 CB 1.495 92 residues pruned to eliminate duplicates Z: 35 19.173 2.010 0.547 0.381 0.912 0.471 CB 1.316 35 residues pruned to eliminate duplicates Z: 28 22.637 2.147 0.708 0.462 0.852 0.444 CB 1.449 28 residues pruned to eliminate duplicates Z: 29 22.990 2.084 0.768 0.456 0.857 0.500 CB 1.439 29 residues pruned to eliminate duplicates Z: 28 22.365 2.121 0.701 0.473 0.852 0.407 CB 1.439 28 residues pruned to eliminate duplicates Z: 35 23.274 2.093 0.623 0.431 0.882 0.588 CB 1.431 35 residues pruned to eliminate duplicates Z: 37 21.643 2.019 0.673 0.450 0.861 0.556 CB 1.305 37 residues pruned to eliminate duplicates Z: 92 49.256 2.115 0.637 0.568 0.923 0.670 CB 1.513 92 residues pruned to eliminate duplicates Z: 12 18.587 2.084 0.665 0.671 0.909 0.455 CA 1.517 12 residues pruned to eliminate duplicates Z: 21 17.780 1.970 0.537 0.526 0.950 0.550 CB 1.347 21 residues pruned to eliminate duplicates Z: 8 11.818 2.029 0.459 0.799 1.000 0.857 CB 1.162 8 residues pruned to eliminate duplicates Z: 34 19.668 2.037 0.516 0.396 0.909 0.455 CB 1.361 34 residues pruned to eliminate duplicates Z: 92 49.709 2.117 0.636 0.581 0.934 0.648 CB 1.490 92 residues pruned to eliminate duplicates Z: 92 47.970 2.104 0.588 0.576 0.923 0.615 CB 1.514 92 residues pruned to eliminate duplicates Z: 93 48.140 2.109 0.624 0.562 0.924 0.630 CB 1.493 93 residues pruned to eliminate duplicates Z: 93 44.940 2.097 0.555 0.569 0.902 0.630 CB 1.489 93 residues pruned to eliminate duplicates Z: 55 30.566 2.139 0.603 0.468 0.870 0.500 CB 1.440 54 residues pruned to eliminate duplicates Z: 6 3.671 1.485 0.942 0.328 0.600 0.600 O 1.146 6 residues pruned to eliminate duplicates Z: 68 42.718 2.077 0.689 0.609 0.910 0.672 CB 1.474 68 residues pruned to eliminate duplicates Z: 25 26.846 2.193 0.869 0.571 0.833 0.708 CB 1.498 25 residues pruned to eliminate duplicates Z: 65 44.147 2.104 0.615 0.624 0.953 0.594 CB 1.516 65 residues pruned to eliminate duplicates Z: 32 20.223 2.033 0.687 0.508 0.806 0.645 CB 1.302 32 residues pruned to eliminate duplicates Z: 65 41.491 2.054 0.625 0.637 0.922 0.719 CB 1.483 65 residues pruned to eliminate duplicates Z: 62 44.961 2.122 0.621 0.662 0.934 0.770 CB 1.543 62 residues pruned to eliminate duplicates Z: 92 48.922 2.124 0.636 0.557 0.934 0.527 CB 1.495 92 residues pruned to eliminate duplicates Z: 95 45.080 2.053 0.621 0.545 0.926 0.532 CB 1.444 95 residues pruned to eliminate duplicates Z: 63 45.203 2.110 0.653 0.654 0.935 0.677 CB 1.525 63 residues pruned to eliminate duplicates Z: 79 43.526 2.033 0.631 0.600 0.910 0.628 CB 1.485 79 residues pruned to eliminate duplicates Z: 27 26.553 2.159 0.914 0.550 0.808 0.654 CB 1.486 27 residues pruned to eliminate duplicates Z: 55 31.448 2.141 0.716 0.471 0.833 0.611 CB 1.440 55 residues pruned to eliminate duplicates Z: 26 26.233 2.154 0.936 0.578 0.840 0.680 CB 1.390 26 residues pruned to eliminate duplicates Z: 58 43.321 2.162 0.719 0.632 0.895 0.667 CB 1.524 58 residues pruned to eliminate duplicates Z: 62 46.342 2.101 0.683 0.650 0.951 0.738 CB 1.534 62 residues pruned to eliminate duplicates Z: 25 29.021 2.203 1.019 0.587 0.833 0.625 CB 1.469 25 residues pruned to eliminate duplicates Z: 61 45.709 2.118 0.735 0.680 0.900 0.750 CB 1.512 61 residues pruned to eliminate duplicates Z: 51 49.838 2.104 0.709 0.724 0.980 0.760 CB 1.635 51 residues pruned to eliminate duplicates Z: 15 32.918 2.176 1.047 0.757 0.929 0.857 CA 1.692 15 residues pruned to eliminate duplicates Z: 66 42.864 2.074 0.661 0.626 0.908 0.692 CB 1.510 66 residues pruned to eliminate duplicates Z: 54 42.141 2.052 0.617 0.699 0.943 0.642 CB 1.543 54 residues pruned to eliminate duplicates Z: 57 43.337 2.104 0.659 0.664 0.929 0.571 CB 1.534 57 residues pruned to eliminate duplicates Z: 64 43.633 2.074 0.642 0.644 0.937 0.651 CB 1.506 64 residues pruned to eliminate duplicates Z: 92 49.530 2.123 0.699 0.556 0.923 0.516 CB 1.476 92 residues pruned to eliminate duplicates Z: 53 48.519 2.071 0.758 0.698 0.981 0.692 CB 1.573 53 residues pruned to eliminate duplicates Z: 56 41.433 2.029 0.662 0.668 0.927 0.655 CB 1.530 56 residues pruned to eliminate duplicates Z: 38 34.199 2.049 0.494 0.682 0.973 0.784 CB 1.597 38 residues pruned to eliminate duplicates Z: 77 45.700 2.076 0.743 0.609 0.895 0.605 CB 1.460 77 residues pruned to eliminate duplicates Z: 62 49.197 2.115 0.804 0.641 0.951 0.639 CB 1.522 62 residues pruned to eliminate duplicates Z: 54 46.815 2.101 0.690 0.680 0.981 0.792 CB 1.565 54 residues pruned to eliminate duplicates Z: 74 41.367 2.023 0.695 0.608 0.904 0.616 CB 1.410 74 residues pruned to eliminate duplicates Z: 61 48.122 2.139 0.737 0.649 0.950 0.650 CB 1.531 61 residues pruned to eliminate duplicates Z: 87 46.911 2.143 0.711 0.545 0.895 0.686 CB 1.474 87 residues pruned to eliminate duplicates Z: 53 48.042 2.084 0.782 0.697 0.962 0.788 CB 1.560 53 residues pruned to eliminate duplicates Z: 62 49.469 2.128 0.726 0.685 0.951 0.770 CB 1.531 62 residues pruned to eliminate duplicates Z: 38 36.622 1.977 0.635 0.690 0.973 0.703 CB 1.609 38 residues pruned to eliminate duplicates Z: 38 38.262 2.067 0.621 0.698 1.000 0.811 CB 1.566 38 residues pruned to eliminate duplicates Z: 78 48.131 2.083 0.724 0.610 0.935 0.623 CB 1.472 78 residues pruned to eliminate duplicates Z: 53 47.198 2.091 0.695 0.692 0.962 0.654 CB 1.611 53 residues pruned to eliminate duplicates Z: 55 46.820 2.039 0.675 0.672 0.981 0.741 CB 1.621 55 residues pruned to eliminate duplicates Z: 38 33.858 2.008 0.496 0.653 0.973 0.703 CB 1.652 38 residues pruned to eliminate duplicates Z: 34 39.967 2.091 0.682 0.689 0.970 0.727 CB 1.716 34 residues pruned to eliminate duplicates Z: 36 40.210 2.050 0.765 0.709 0.971 0.743 CB 1.600 36 residues pruned to eliminate duplicates Z: 20 34.409 1.989 0.727 0.912 1.000 0.684 CB 1.626 21 residues pruned to eliminate duplicates Z: 21 25.847 1.871 0.619 0.909 0.900 0.450 CB 1.505 21 residues pruned to eliminate duplicates Z: 62 47.125 2.100 0.712 0.672 0.984 0.623 CB 1.456 62 residues pruned to eliminate duplicates Z: 65 45.519 2.066 0.684 0.627 0.953 0.703 CB 1.523 65 residues pruned to eliminate duplicates Z: 52 50.943 2.077 0.789 0.711 1.000 0.765 CB 1.585 51 residues pruned to eliminate duplicates Z: 23 29.948 1.797 0.683 0.913 1.000 0.773 CB 1.494 23 residues pruned to eliminate duplicates Z: 55 48.375 2.072 0.824 0.676 0.963 0.630 CB 1.538 55 residues pruned to eliminate duplicates Z: 53 47.498 2.048 0.802 0.716 0.962 0.615 CB 1.526 53 residues pruned to eliminate duplicates Z: 34 38.761 2.088 0.697 0.712 0.970 0.758 CB 1.621 34 residues pruned to eliminate duplicates Z: 63 46.350 2.115 0.791 0.633 0.935 0.758 CB 1.466 63 residues pruned to eliminate duplicates Z: 72 43.510 2.086 0.715 0.610 0.887 0.676 CB 1.465 72 residues pruned to eliminate duplicates Z: 91 47.513 2.077 0.704 0.554 0.933 0.556 CB 1.438 91 residues pruned to eliminate duplicates Z: 22 30.278 1.847 0.780 0.877 0.952 0.619 CB 1.532 22 residues pruned to eliminate duplicates Z: 90 48.241 2.093 0.779 0.539 0.910 0.629 CB 1.452 90 residues pruned to eliminate duplicates Z: 88 42.476 2.041 0.718 0.522 0.931 0.506 CB 1.365 88 residues pruned to eliminate duplicates Z: 10 13.532 1.661 0.370 0.892 1.000 0.778 CA 1.424 10 residues pruned to eliminate duplicates Z: 10 11.335 1.623 0.350 0.883 1.000 0.778 CA 1.247 10 residues pruned to eliminate duplicates Z: 14 9.465 1.499 0.476 0.684 0.846 0.231 CA 1.184 14 residues pruned to eliminate duplicates Z: 12 8.436 1.529 0.540 0.659 0.818 0.455 CB 1.140 12 residues pruned to eliminate duplicates Z: 9 13.726 1.730 0.500 0.904 1.000 0.375 CB 1.332 9 residues pruned to eliminate duplicates Z: 10 10.153 1.683 0.426 0.807 0.778 0.222 CB 1.387 10 residues pruned to eliminate duplicates Z: 9 9.776 1.746 0.311 0.887 0.750 0.125 CB 1.452 9 residues pruned to eliminate duplicates Z: 17 10.934 1.661 0.471 0.509 0.938 0.562 CB 1.183 17 residues pruned to eliminate duplicates Z: 10 10.232 1.638 0.518 0.803 0.778 0.222 CB 1.354 10 residues pruned to eliminate duplicates Z: 33 28.070 2.076 0.615 0.593 0.938 0.531 CB 1.444 33 residues pruned to eliminate duplicates Z: 20 20.635 2.097 0.724 0.518 0.947 0.316 CB 1.358 20 residues pruned to eliminate duplicates Z: 32 26.231 2.059 0.600 0.588 0.903 0.484 CB 1.456 32 residues pruned to eliminate duplicates Z: 30 16.842 1.881 0.693 0.441 0.828 0.276 CB 1.261 30 residues pruned to eliminate duplicates Z: 35 21.555 2.009 0.481 0.553 0.882 0.588 CB 1.337 35 residues pruned to eliminate duplicates Z: 19 17.360 2.106 0.630 0.554 0.833 0.389 CB 1.357 19 residues pruned to eliminate duplicates Z: 35 25.127 2.009 0.631 0.574 0.853 0.529 CB 1.435 35 residues pruned to eliminate duplicates Z: 12 14.185 1.971 0.752 0.509 0.909 0.545 CB 1.350 12 residues pruned to eliminate duplicates Z: 30 22.329 1.997 0.583 0.550 0.897 0.483 CB 1.394 30 residues pruned to eliminate duplicates Z: 11 13.991 1.976 0.558 0.627 0.800 0.400 CA 1.594 11 residues pruned to eliminate duplicates Z: 23 26.941 2.098 0.686 0.693 0.909 0.545 CB 1.498 23 residues pruned to eliminate duplicates Z: 14 19.575 2.096 0.821 0.512 0.923 0.462 CB 1.523 14 residues pruned to eliminate duplicates Z: 23 18.865 2.055 0.675 0.488 0.909 0.500 CB 1.301 23 residues pruned to eliminate duplicates Z: 25 28.554 2.087 0.770 0.646 0.917 0.458 CB 1.502 25 residues pruned to eliminate duplicates Z: 34 26.961 2.037 0.674 0.614 0.879 0.636 CB 1.406 34 residues pruned to eliminate duplicates Z: 19 19.382 2.071 0.768 0.599 0.889 0.444 CB 1.277 19 residues pruned to eliminate duplicates Z: 32 28.550 2.043 0.778 0.596 0.903 0.548 CB 1.426 32 residues pruned to eliminate duplicates Z: 10 20.220 2.202 0.745 0.702 0.889 0.444 CB 1.642 10 residues pruned to eliminate duplicates Z: 33 31.207 2.072 0.818 0.630 0.938 0.594 CB 1.383 33 residues pruned to eliminate duplicates Z: 7 4.482 1.548 0.516 0.326 0.833 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 26 26.235 2.064 0.682 0.630 0.920 0.480 CB 1.454 26 residues pruned to eliminate duplicates Z: 14 14.874 1.910 0.522 0.612 0.923 0.538 CB 1.383 14 residues pruned to eliminate duplicates Z: 26 24.203 2.062 0.843 0.610 0.840 0.440 CB 1.367 26 residues pruned to eliminate duplicates Z: 34 24.332 2.029 0.582 0.577 0.879 0.545 CB 1.393 34 residues pruned to eliminate duplicates Z: 33 29.488 2.081 0.665 0.618 0.938 0.500 CB 1.436 33 residues pruned to eliminate duplicates Z: 13 15.951 1.862 0.576 0.770 0.917 0.750 CA 1.348 13 residues pruned to eliminate duplicates Z: 31 26.146 2.029 0.606 0.642 0.933 0.600 CB 1.374 31 residues pruned to eliminate duplicates Z: 29 21.015 1.963 0.827 0.532 0.821 0.464 CB 1.306 29 residues pruned to eliminate duplicates Z: 25 27.662 2.072 0.815 0.619 0.875 0.417 CB 1.534 25 residues pruned to eliminate duplicates Z: 14 17.584 1.823 0.743 0.793 0.923 0.615 CB 1.286 14 residues pruned to eliminate duplicates Z: 32 26.520 2.054 0.545 0.616 0.935 0.581 CB 1.438 32 residues pruned to eliminate duplicates Z: 12 23.216 2.046 0.757 0.806 1.000 0.727 CB 1.491 12 residues pruned to eliminate duplicates Z: 39 35.928 2.154 0.702 0.686 0.921 0.579 CB 1.455 39 residues pruned to eliminate duplicates Z: 39 39.499 2.166 0.769 0.702 0.947 0.632 CB 1.468 39 residues pruned to eliminate duplicates Z: 40 36.872 2.105 0.700 0.633 0.974 0.487 CB 1.495 40 residues pruned to eliminate duplicates Z: 39 39.158 2.176 0.792 0.688 0.947 0.579 CB 1.448 40 residues pruned to eliminate duplicates Z: 18 26.030 2.201 0.670 0.823 1.000 0.765 CB 1.298 18 residues pruned to eliminate duplicates Z: 37 39.636 2.196 0.791 0.690 0.944 0.583 CB 1.495 37 residues pruned to eliminate duplicates Z: 38 40.024 2.159 0.816 0.680 0.973 0.595 CB 1.462 38 residues pruned to eliminate duplicates Z: 40 39.097 2.135 0.803 0.665 0.949 0.615 CB 1.471 40 residues pruned to eliminate duplicates Z: 31 32.673 2.094 0.790 0.666 0.967 0.633 CB 1.412 31 residues pruned to eliminate duplicates Z: 39 35.176 2.128 0.677 0.698 0.947 0.658 CB 1.408 39 residues pruned to eliminate duplicates Z: 84 74.706 2.295 0.914 0.738 0.940 0.747 CB 1.604 84 residues pruned to eliminate duplicates Z: 39 38.619 2.163 0.699 0.705 0.974 0.526 CB 1.454 39 residues pruned to eliminate duplicates Z: 39 39.060 2.128 0.761 0.692 0.974 0.474 CB 1.457 39 residues pruned to eliminate duplicates Z: 44 31.190 2.082 0.701 0.653 0.860 0.535 CB 1.354 44 residues pruned to eliminate duplicates Z: 39 36.026 2.166 0.853 0.660 0.921 0.579 CB 1.363 39 residues pruned to eliminate duplicates Z: 39 39.543 2.161 0.795 0.691 0.921 0.474 CB 1.507 39 residues pruned to eliminate duplicates Z: 40 33.022 2.088 0.816 0.632 0.872 0.462 CB 1.413 40 residues pruned to eliminate duplicates Z: 38 37.655 2.191 0.763 0.707 0.892 0.622 CB 1.489 38 residues pruned to eliminate duplicates Z: 65 34.399 2.037 0.819 0.476 0.875 0.484 CB 1.359 123 residues pruned to eliminate duplicates Z: 9 13.682 1.943 1.156 0.726 0.750 0.375 CB 1.256 9 residues pruned to eliminate duplicates Z: 102 84.092 2.254 0.966 0.732 0.950 0.604 CB 1.613 102 residues pruned to eliminate duplicates Z: 38 44.781 2.176 0.891 0.687 0.973 0.649 CB 1.549 38 residues pruned to eliminate duplicates Z: 39 40.289 2.145 0.852 0.697 0.947 0.684 CB 1.450 39 residues pruned to eliminate duplicates Z: 85 75.635 2.295 0.872 0.747 0.952 0.655 CB 1.617 85 residues pruned to eliminate duplicates Z: 114 82.314 2.242 0.921 0.723 0.920 0.628 CB 1.597 114 residues pruned to eliminate duplicates Z: 39 35.161 2.140 0.691 0.704 0.895 0.632 CB 1.463 39 residues pruned to eliminate duplicates Z: 73 71.882 2.310 0.925 0.725 0.917 0.542 CB 1.697 73 residues pruned to eliminate duplicates Z: 39 36.186 2.145 0.833 0.680 0.895 0.421 CB 1.415 39 residues pruned to eliminate duplicates Z: 17 18.049 2.077 0.715 0.573 0.750 0.375 N 1.575 17 residues pruned to eliminate duplicates Z: 40 35.674 2.112 0.795 0.691 0.923 0.487 CB 1.371 40 residues pruned to eliminate duplicates Z: 38 41.852 2.183 0.902 0.717 0.946 0.351 CB 1.439 38 residues pruned to eliminate duplicates Z: 38 43.124 2.172 0.785 0.731 0.973 0.568 CB 1.527 38 residues pruned to eliminate duplicates Z: 99 85.758 2.275 0.991 0.729 0.949 0.571 CB 1.640 99 residues pruned to eliminate duplicates Z: 15 22.857 2.196 0.628 0.634 0.857 0.571 CB 1.758 15 residues pruned to eliminate duplicates Z: 102 85.615 2.268 0.924 0.745 0.950 0.663 CB 1.650 102 residues pruned to eliminate duplicates Z: 101 85.432 2.275 0.928 0.739 0.950 0.580 CB 1.656 101 residues pruned to eliminate duplicates Z: 54 56.443 2.263 0.998 0.704 0.887 0.547 CB 1.606 54 residues pruned to eliminate duplicates Z: 17 20.521 2.050 0.962 0.580 0.875 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 60 78.313 2.341 0.962 0.776 0.966 0.661 CA 1.801 60 residues pruned to eliminate duplicates Z: 65 72.306 2.294 0.987 0.735 0.938 0.656 CA 1.712 65 residues pruned to eliminate duplicates Z: 51 64.272 2.327 0.984 0.733 0.960 0.620 CB 1.664 51 residues pruned to eliminate duplicates Z: 108 83.193 2.213 0.930 0.718 0.935 0.682 CB 1.654 112 residues pruned to eliminate duplicates Z: 14 25.212 2.290 0.997 0.936 0.923 0.462 CB 1.154 14 residues pruned to eliminate duplicates Z: 47 73.745 2.381 1.187 0.771 0.957 0.652 CB 1.718 47 residues pruned to eliminate duplicates Z: 66 74.485 2.296 0.930 0.741 0.969 0.631 CB 1.734 66 residues pruned to eliminate duplicates Z: 62 85.230 2.338 1.092 0.769 0.984 0.672 CB 1.787 62 residues pruned to eliminate duplicates Z: 62 81.314 2.351 0.984 0.772 0.967 0.787 CB 1.815 62 residues pruned to eliminate duplicates Z: 66 76.463 2.309 1.001 0.748 0.938 0.692 CA 1.752 66 residues pruned to eliminate duplicates Z: 64 79.281 2.328 0.967 0.773 0.968 0.651 CB 1.770 64 residues pruned to eliminate duplicates Z: 50 68.487 2.342 1.113 0.754 0.918 0.633 CB 1.716 50 residues pruned to eliminate duplicates Z: 66 74.566 2.297 0.942 0.745 0.954 0.677 CA 1.746 66 residues pruned to eliminate duplicates Z: 49 66.602 2.345 1.028 0.769 0.917 0.625 CB 1.739 49 residues pruned to eliminate duplicates Z: 62 81.336 2.349 1.026 0.777 0.967 0.738 CB 1.771 62 residues pruned to eliminate duplicates Z: 120 83.869 2.215 0.896 0.681 0.916 0.681 CB 1.692 112 residues pruned to eliminate duplicates Z: 28 66.936 2.412 1.138 0.916 1.000 0.667 CA 1.764 28 residues pruned to eliminate duplicates Z: 56 78.769 2.381 1.056 0.770 0.964 0.600 CB 1.772 56 residues pruned to eliminate duplicates Z: 72 76.287 2.280 1.005 0.734 0.944 0.535 CB 1.701 72 residues pruned to eliminate duplicates Z: 66 70.815 2.284 0.969 0.732 0.938 0.708 CB 1.689 66 residues pruned to eliminate duplicates Z: 63 78.421 2.264 1.091 0.773 0.984 0.661 CB 1.679 63 residues pruned to eliminate duplicates Z: 57 72.360 2.370 0.975 0.742 0.964 0.661 CB 1.725 57 residues pruned to eliminate duplicates Z: 60 86.119 2.368 1.074 0.808 0.983 0.610 CB 1.776 60 residues pruned to eliminate duplicates Z: 61 80.976 2.357 1.057 0.779 0.950 0.700 CB 1.774 61 residues pruned to eliminate duplicates Z: 56 78.430 2.382 1.073 0.755 0.982 0.564 CB 1.739 56 residues pruned to eliminate duplicates Z: 62 72.792 2.307 0.983 0.725 0.984 0.607 CB 1.691 62 residues pruned to eliminate duplicates Z: 64 77.591 2.329 0.995 0.752 0.968 0.603 CB 1.735 64 residues pruned to eliminate duplicates Z: 61 80.440 2.364 1.030 0.777 0.967 0.583 CB 1.754 61 residues pruned to eliminate duplicates Z: 58 74.798 2.347 1.086 0.729 0.947 0.579 CB 1.738 58 residues pruned to eliminate duplicates Z: 62 83.568 2.345 1.099 0.778 0.967 0.492 CB 1.759 62 residues pruned to eliminate duplicates Z: 56 79.023 2.385 1.044 0.777 0.964 0.509 CB 1.776 56 residues pruned to eliminate duplicates Z: 66 74.292 2.297 1.023 0.739 0.938 0.554 CB 1.705 66 residues pruned to eliminate duplicates Z: 62 81.875 2.341 1.061 0.776 0.967 0.508 CB 1.760 62 residues pruned to eliminate duplicates Z: 59 71.133 2.333 1.005 0.744 0.948 0.448 CB 1.693 59 residues pruned to eliminate duplicates Z: 61 78.784 2.354 1.076 0.757 0.933 0.517 CB 1.774 61 residues pruned to eliminate duplicates Z: 65 74.074 2.308 1.036 0.749 0.922 0.438 CB 1.711 65 residues pruned to eliminate duplicates Z: 75 74.789 2.245 0.966 0.738 0.946 0.500 CB 1.682 75 residues pruned to eliminate duplicates Z: 55 81.132 2.394 1.054 0.795 0.981 0.444 CB 1.767 55 residues pruned to eliminate duplicates Z: 81 70.324 2.232 0.975 0.715 0.913 0.525 CB 1.608 81 residues pruned to eliminate duplicates Z: 66 75.770 2.288 1.090 0.727 0.938 0.538 CB 1.707 66 residues pruned to eliminate duplicates Z: 73 83.518 2.317 1.017 0.780 0.972 0.514 CB 1.691 73 residues pruned to eliminate duplicates Z: 66 72.286 2.298 0.971 0.752 0.938 0.462 CB 1.685 66 residues pruned to eliminate duplicates Z: 75 66.670 2.228 0.973 0.702 0.905 0.459 CB 1.619 75 residues pruned to eliminate duplicates Z: 76 74.254 2.271 0.946 0.743 0.920 0.400 CB 1.697 76 residues pruned to eliminate duplicates Z: 77 74.330 2.228 0.942 0.745 0.961 0.539 CB 1.648 77 residues pruned to eliminate duplicates Z: 57 73.803 2.349 1.060 0.751 0.929 0.643 CB 1.755 57 residues pruned to eliminate duplicates Z: 61 80.883 2.340 1.055 0.786 0.967 0.450 CB 1.748 61 residues pruned to eliminate duplicates Z: 69 68.873 2.275 0.972 0.707 0.912 0.485 CB 1.691 69 residues pruned to eliminate duplicates Z: 60 73.809 2.334 1.017 0.783 0.932 0.508 CB 1.707 60 residues pruned to eliminate duplicates Z: 77 68.319 2.223 0.936 0.723 0.934 0.487 CB 1.593 77 residues pruned to eliminate duplicates Z: 63 79.107 2.322 1.059 0.770 0.984 0.532 CB 1.682 63 residues pruned to eliminate duplicates Z: 66 72.376 2.296 0.938 0.746 0.954 0.462 CB 1.698 66 residues pruned to eliminate duplicates Z: 65 66.280 2.242 1.031 0.715 0.922 0.359 CB 1.625 65 residues pruned to eliminate duplicates Z: 55 78.390 2.384 1.147 0.781 0.944 0.444 CB 1.722 55 residues pruned to eliminate duplicates Z: 72 75.725 2.294 0.988 0.739 0.944 0.493 CB 1.686 72 residues pruned to eliminate duplicates Z: 73 71.501 2.277 0.896 0.726 0.944 0.389 CB 1.686 73 residues pruned to eliminate duplicates Z: 68 79.056 2.337 1.106 0.745 0.925 0.537 CB 1.703 68 residues pruned to eliminate duplicates Z: 73 69.350 2.279 0.964 0.726 0.931 0.486 CB 1.601 73 residues pruned to eliminate duplicates Z: 70 72.546 2.311 0.968 0.730 0.957 0.522 CB 1.632 70 residues pruned to eliminate duplicates Z: 101 72.164 2.184 0.823 0.667 0.910 0.640 CB 1.707 101 residues pruned to eliminate duplicates Z: 11 15.196 2.134 0.584 0.618 0.800 0.400 CB 1.590 11 residues pruned to eliminate duplicates Z: 70 64.217 2.233 0.912 0.683 0.957 0.464 CB 1.600 70 residues pruned to eliminate duplicates Z: 68 80.980 2.333 1.039 0.750 0.955 0.567 CB 1.741 68 residues pruned to eliminate duplicates Z: 11 16.372 2.100 0.548 0.677 0.900 0.600 CA 1.504 11 residues pruned to eliminate duplicates Z: 87 67.433 2.166 0.843 0.701 0.953 0.488 CB 1.590 87 residues pruned to eliminate duplicates Z: 74 50.193 2.138 0.911 0.675 0.822 0.479 CB 1.489 74 residues pruned to eliminate duplicates Z: 76 72.469 2.243 0.975 0.750 0.933 0.493 CB 1.619 76 residues pruned to eliminate duplicates Z: 68 49.820 2.089 0.693 0.669 0.910 0.627 CB 1.616 68 residues pruned to eliminate duplicates Z: 73 74.021 2.282 0.927 0.729 0.958 0.458 CB 1.684 73 residues pruned to eliminate duplicates Z: 43 36.089 1.962 0.695 0.672 0.929 0.762 CB 1.538 43 residues pruned to eliminate duplicates Z: 111 71.928 2.182 0.848 0.680 0.900 0.609 CB 1.601 111 residues pruned to eliminate duplicates Z: 58 42.177 2.074 0.600 0.625 0.930 0.667 CB 1.610 58 residues pruned to eliminate duplicates Z: 18 30.271 2.076 0.710 0.810 1.000 0.824 CA 1.578 18 residues pruned to eliminate duplicates Z: 25 30.345 2.022 0.706 0.692 0.958 0.750 CA 1.571 25 residues pruned to eliminate duplicates Z: 25 34.475 2.062 0.839 0.677 0.958 0.667 CA 1.645 25 residues pruned to eliminate duplicates Z: 25 31.015 2.058 0.780 0.664 0.917 0.583 CA 1.620 25 residues pruned to eliminate duplicates Z: 32 34.428 2.098 0.791 0.608 0.903 0.677 CB 1.645 32 residues pruned to eliminate duplicates Z: 26 32.074 2.005 0.829 0.708 0.920 0.640 CA 1.575 26 residues pruned to eliminate duplicates Z: 25 34.011 2.024 0.923 0.693 0.958 0.583 CA 1.560 25 residues pruned to eliminate duplicates Z: 33 31.640 2.063 0.614 0.589 0.969 0.594 CA 1.592 33 residues pruned to eliminate duplicates Z: 43 33.790 2.044 0.622 0.637 0.929 0.595 CA 1.489 43 residues pruned to eliminate duplicates Z: 26 29.125 1.955 0.875 0.675 0.880 0.640 CA 1.536 26 residues pruned to eliminate duplicates Z: 32 32.935 2.078 0.726 0.584 0.935 0.613 CB 1.626 32 residues pruned to eliminate duplicates Z: 25 36.665 2.052 0.904 0.701 1.000 0.625 CA 1.595 25 residues pruned to eliminate duplicates Z: 113 72.347 2.178 0.907 0.654 0.902 0.545 CB 1.582 113 residues pruned to eliminate duplicates Z: 99 86.362 2.210 0.991 0.748 0.969 0.551 CB 1.640 99 residues pruned to eliminate duplicates Z: 26 34.755 2.029 0.967 0.669 0.920 0.600 CA 1.620 26 residues pruned to eliminate duplicates Z: 41 37.762 2.122 0.651 0.616 0.950 0.650 CA 1.607 41 residues pruned to eliminate duplicates Z: 32 31.608 2.079 0.805 0.594 0.903 0.581 CB 1.531 32 residues pruned to eliminate duplicates Z: 40 38.199 2.160 0.649 0.629 0.923 0.667 CA 1.648 40 residues pruned to eliminate duplicates Z: 29 31.793 1.963 0.932 0.625 0.893 0.714 CB 1.577 29 residues pruned to eliminate duplicates Z: 41 38.476 2.087 0.754 0.598 0.925 0.500 CA 1.636 41 residues pruned to eliminate duplicates Z: 33 30.063 2.016 0.817 0.621 0.875 0.531 CB 1.478 33 residues pruned to eliminate duplicates Z: 31 35.712 2.119 0.897 0.623 0.933 0.633 CB 1.546 31 residues pruned to eliminate duplicates Z: 51 39.158 1.996 0.816 0.615 0.940 0.500 CB 1.458 51 residues pruned to eliminate duplicates Z: 32 33.479 2.094 0.737 0.643 0.935 0.774 CB 1.546 32 residues pruned to eliminate duplicates Z: 9 6.550 2.141 0.286 0.314 0.875 0.625 CB 1.180 9 residues pruned to eliminate duplicates Z: 17 15.331 2.259 0.111 0.532 0.938 0.750 CA 1.578 17 residues pruned to eliminate duplicates Z: 6 7.788 2.023 0.527 0.207 1.000 0.600 CB 1.593 6 residues pruned to eliminate duplicates Z: 17 19.422 2.248 0.411 0.536 0.938 0.812 CB 1.578 17 residues pruned to eliminate duplicates Z: 17 21.243 2.260 0.490 0.549 0.938 0.750 CB 1.604 17 residues pruned to eliminate duplicates Z: 9 16.077 2.368 0.070 0.885 1.000 0.875 CA 1.620 9 residues pruned to eliminate duplicates Z: 18 13.525 2.146 0.169 0.472 0.882 0.706 CB 1.524 18 residues pruned to eliminate duplicates Z: 17 17.083 2.252 0.346 0.508 0.938 0.688 CB 1.491 17 residues pruned to eliminate duplicates Z: 8 13.825 2.147 0.559 0.694 0.857 0.714 CA 1.525 8 residues pruned to eliminate duplicates Z: 8 17.688 1.986 1.136 0.704 1.000 0.571 CA 1.309 8 residues pruned to eliminate duplicates Z: 15 22.088 2.239 0.494 0.626 0.929 0.786 CA 1.688 14 residues pruned to eliminate duplicates Z: 8 15.308 2.082 0.796 0.849 0.857 0.571 N 1.338 8 residues pruned to eliminate duplicates Z: 16 9.670 1.719 0.440 0.606 0.800 0.400 CB 1.140 16 residues pruned to eliminate duplicates Z: 17 14.827 1.857 0.426 0.654 1.000 0.750 CB 1.212 17 residues pruned to eliminate duplicates Z: 6 3.369 1.661 0.392 0.855 1.000 1.000 CB 0.481 6 residues pruned to eliminate duplicates Z: 15 13.522 1.881 0.553 0.649 0.929 0.714 CB 1.160 15 residues pruned to eliminate duplicates Z: 15 18.077 1.898 0.718 0.670 1.000 0.786 CB 1.266 18 residues pruned to eliminate duplicates Z: 12 11.759 1.782 0.414 0.864 1.000 0.909 CB 1.032 11 residues pruned to eliminate duplicates Z: 11 15.709 1.817 0.677 0.853 1.000 0.700 CB 1.205 11 residues pruned to eliminate duplicates Z: 14 15.229 1.841 0.644 0.593 0.923 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 16 16.744 1.897 0.664 0.687 0.933 0.667 CB 1.236 16 residues pruned to eliminate duplicates Z: 15 16.173 1.870 0.675 0.528 1.000 0.714 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 13.508 1.845 0.530 0.603 0.929 0.714 CB 1.248 15 residues pruned to eliminate duplicates Z: 15 11.904 1.805 0.569 0.558 0.857 0.714 CA 1.239 14 residues pruned to eliminate duplicates Z: 13 9.633 1.816 0.372 0.633 0.833 0.500 CB 1.182 13 residues pruned to eliminate duplicates Z: 19 14.504 1.807 0.474 0.737 0.944 0.667 CB 1.099 19 residues pruned to eliminate duplicates Z: 7 6.578 1.646 0.422 0.537 0.833 0.500 CB 1.328 6 residues pruned to eliminate duplicates Z: 6 3.733 1.741 0.377 0.370 0.800 0.400 CB 1.000 6 residues pruned to eliminate duplicates Z: 17 12.733 2.074 0.520 0.304 0.875 0.500 CB 1.436 17 residues pruned to eliminate duplicates Z: 27 22.569 2.198 0.485 0.472 0.923 0.577 CB 1.511 27 residues pruned to eliminate duplicates Z: 42 24.355 2.115 0.512 0.426 0.902 0.512 CB 1.424 42 residues pruned to eliminate duplicates Z: 14 9.513 2.038 0.409 0.257 0.923 0.462 CB 1.315 14 residues pruned to eliminate duplicates Z: 28 23.162 2.133 0.561 0.480 0.926 0.481 CB 1.475 28 residues pruned to eliminate duplicates Z: 41 24.882 2.159 0.514 0.421 0.900 0.575 CB 1.452 41 residues pruned to eliminate duplicates Z: 19 13.307 2.168 0.456 0.328 0.833 0.556 CB 1.440 19 residues pruned to eliminate duplicates Z: 27 25.492 2.202 0.611 0.478 0.962 0.615 CB 1.499 27 residues pruned to eliminate duplicates Z: 48 22.447 2.095 0.500 0.383 0.851 0.447 CB 1.387 48 residues pruned to eliminate duplicates Z: 32 20.981 2.147 0.524 0.427 0.903 0.613 CB 1.375 32 residues pruned to eliminate duplicates Z: 36 25.371 2.214 0.513 0.426 0.914 0.514 CB 1.513 36 residues pruned to eliminate duplicates Z: 40 24.642 2.163 0.557 0.410 0.872 0.487 CB 1.477 40 residues pruned to eliminate duplicates Z: 61 35.961 2.238 0.561 0.458 0.883 0.617 CB 1.570 61 residues pruned to eliminate duplicates Z: 60 34.584 2.260 0.507 0.484 0.864 0.610 CB 1.554 60 residues pruned to eliminate duplicates Z: 27 24.084 2.188 0.588 0.487 0.923 0.577 CB 1.491 27 residues pruned to eliminate duplicates Z: 60 34.890 2.229 0.583 0.458 0.881 0.678 CB 1.524 60 residues pruned to eliminate duplicates Z: 41 24.888 2.160 0.486 0.417 0.900 0.450 CB 1.485 41 residues pruned to eliminate duplicates Z: 44 38.154 2.310 0.625 0.570 0.907 0.628 CB 1.597 44 residues pruned to eliminate duplicates Z: 43 25.565 2.211 0.595 0.396 0.857 0.500 CB 1.457 43 residues pruned to eliminate duplicates Z: 11 26.304 2.191 0.773 0.834 1.000 0.500 CB 1.606 11 residues pruned to eliminate duplicates Z: 27 24.633 2.151 0.591 0.585 0.846 0.577 CB 1.538 27 residues pruned to eliminate duplicates Z: 43 25.304 2.094 0.553 0.397 0.929 0.548 CB 1.442 43 residues pruned to eliminate duplicates Z: 9 28.109 2.294 0.905 0.870 1.000 0.625 CB 1.660 9 residues pruned to eliminate duplicates Z: 32 24.993 2.187 0.570 0.418 0.935 0.484 CB 1.522 32 residues pruned to eliminate duplicates Z: 80 32.846 2.095 0.517 0.435 0.873 0.557 CB 1.423 80 residues pruned to eliminate duplicates Z: 22 24.826 2.173 0.668 0.564 0.952 0.476 CB 1.474 22 residues pruned to eliminate duplicates Z: 23 20.737 2.194 0.577 0.537 0.864 0.409 CB 1.427 23 residues pruned to eliminate duplicates Z: 22 18.851 2.260 0.380 0.505 0.905 0.571 CB 1.450 22 residues pruned to eliminate duplicates Z: 38 25.527 2.184 0.483 0.410 0.919 0.622 CB 1.549 39 residues pruned to eliminate duplicates Z: 6 3.532 1.712 0.027 0.337 0.800 0.800 CA 1.342 Z: 6 2.631 2.026 0.594 0.229 0.600 0.600 CB 0.833 6 residues pruned to eliminate duplicates Z: 47 35.270 2.270 0.622 0.491 0.891 0.609 CB 1.599 47 residues pruned to eliminate duplicates Z: 41 24.519 2.234 0.443 0.377 0.875 0.500 CB 1.567 41 residues pruned to eliminate duplicates Z: 60 34.302 2.230 0.504 0.449 0.881 0.542 CB 1.592 60 residues pruned to eliminate duplicates Z: 68 40.806 2.195 0.536 0.486 0.940 0.612 CB 1.595 68 residues pruned to eliminate duplicates Z: 24 26.621 2.261 0.648 0.533 0.870 0.652 CA 1.658 24 residues pruned to eliminate duplicates Z: 26 20.160 2.187 0.386 0.526 0.880 0.680 CB 1.473 26 residues pruned to eliminate duplicates Z: 24 25.039 2.266 0.513 0.606 0.870 0.652 CB 1.583 24 residues pruned to eliminate duplicates Z: 80 37.677 2.108 0.565 0.492 0.911 0.557 CB 1.421 80 residues pruned to eliminate duplicates Z: 14 41.970 2.407 0.794 0.935 1.000 0.923 CA 1.880 14 residues pruned to eliminate duplicates Z: 59 34.786 2.201 0.648 0.483 0.845 0.621 CB 1.516 59 residues pruned to eliminate duplicates Z: 79 33.634 2.122 0.516 0.442 0.833 0.577 CB 1.508 79 residues pruned to eliminate duplicates Z: 61 35.849 2.189 0.597 0.445 0.900 0.550 CB 1.557 61 residues pruned to eliminate duplicates Z: 24 27.005 2.292 0.658 0.535 0.870 0.739 CB 1.646 24 residues pruned to eliminate duplicates Z: 24 27.884 2.303 0.687 0.583 0.870 0.652 CB 1.590 24 residues pruned to eliminate duplicates Z: 25 26.711 2.232 0.731 0.524 0.833 0.625 CB 1.654 25 residues pruned to eliminate duplicates Z: 47 35.288 2.244 0.661 0.523 0.870 0.587 CB 1.570 47 residues pruned to eliminate duplicates Z: 25 28.869 2.249 0.744 0.553 0.875 0.667 CB 1.630 25 residues pruned to eliminate duplicates Z: 40 27.567 2.194 0.639 0.440 0.872 0.538 CB 1.498 40 residues pruned to eliminate duplicates Z: 52 28.959 2.115 0.521 0.484 0.882 0.490 CB 1.452 52 residues pruned to eliminate duplicates Z: 35 27.980 2.118 0.650 0.545 0.853 0.618 CB 1.541 35 residues pruned to eliminate duplicates Z: 10 3.336 1.565 0.856 0.085 0.667 0.444 CB 0.981 10 residues pruned to eliminate duplicates Z: 27 23.915 2.166 0.724 0.513 0.885 0.538 CB 1.402 27 residues pruned to eliminate duplicates Z: 23 32.642 2.191 0.931 0.562 0.909 0.455 CB 1.703 23 residues pruned to eliminate duplicates Z: 68 38.257 2.171 0.630 0.510 0.896 0.493 CB 1.461 68 residues pruned to eliminate duplicates Z: 32 27.130 2.094 0.959 0.478 0.871 0.516 CB 1.394 32 residues pruned to eliminate duplicates Z: 67 38.330 2.162 0.683 0.526 0.894 0.470 CB 1.414 67 residues pruned to eliminate duplicates Z: 67 36.196 2.165 0.599 0.473 0.909 0.561 CB 1.455 67 residues pruned to eliminate duplicates Z: 65 33.153 2.156 0.526 0.485 0.891 0.625 CB 1.435 65 residues pruned to eliminate duplicates Z: 70 41.616 2.172 0.697 0.543 0.942 0.623 CB 1.384 70 residues pruned to eliminate duplicates Z: 32 27.310 2.308 0.569 0.444 0.903 0.452 CB 1.588 32 residues pruned to eliminate duplicates Z: 12 4.241 1.848 0.333 0.133 0.818 0.000 CB 1.003 12 residues pruned to eliminate duplicates Z: 63 36.952 2.158 0.691 0.472 0.903 0.597 CB 1.465 63 residues pruned to eliminate duplicates Z: 12 7.534 2.264 0.580 0.164 0.636 0.455 CB 1.503 12 residues pruned to eliminate duplicates Z: 34 13.745 2.117 0.430 0.237 0.758 0.364 CB 1.416 34 residues pruned to eliminate duplicates Z: 62 43.464 2.210 0.699 0.556 0.934 0.557 CB 1.502 62 residues pruned to eliminate duplicates Z: 67 42.369 2.149 0.669 0.566 0.939 0.545 CB 1.452 67 residues pruned to eliminate duplicates Z: 63 36.339 2.173 0.562 0.484 0.935 0.532 CB 1.477 63 residues pruned to eliminate duplicates Z: 69 36.820 2.143 0.620 0.523 0.926 0.515 CB 1.357 69 residues pruned to eliminate duplicates Z: 65 41.666 2.186 0.617 0.554 0.953 0.578 CB 1.466 65 residues pruned to eliminate duplicates Z: 69 41.605 2.149 0.712 0.566 0.912 0.588 CB 1.411 69 residues pruned to eliminate duplicates Z: 66 43.437 2.156 0.712 0.536 0.969 0.523 CB 1.453 66 residues pruned to eliminate duplicates Z: 69 40.087 2.140 0.651 0.534 0.941 0.544 CB 1.415 69 residues pruned to eliminate duplicates Z: 68 45.553 2.155 0.793 0.559 0.955 0.582 CB 1.424 68 residues pruned to eliminate duplicates Z: 33 21.402 2.210 0.494 0.401 0.844 0.500 CB 1.507 33 residues pruned to eliminate duplicates Z: 44 29.487 2.243 0.543 0.417 0.930 0.535 CB 1.523 44 residues pruned to eliminate duplicates Z: 107 61.567 2.188 0.719 0.635 0.915 0.642 CB 1.531 107 residues pruned to eliminate duplicates Z: 66 40.682 2.178 0.719 0.526 0.908 0.569 CB 1.447 66 residues pruned to eliminate duplicates Z: 68 42.970 2.170 0.701 0.546 0.925 0.582 CB 1.469 68 residues pruned to eliminate duplicates Z: 67 38.481 2.146 0.619 0.531 0.924 0.591 CB 1.430 67 residues pruned to eliminate duplicates Z: 68 40.356 2.168 0.693 0.536 0.925 0.582 CB 1.402 68 residues pruned to eliminate duplicates Z: 64 40.143 2.183 0.618 0.534 0.921 0.603 CB 1.505 64 residues pruned to eliminate duplicates Z: 60 42.443 2.196 0.686 0.517 0.983 0.627 CB 1.493 60 residues pruned to eliminate duplicates Z: 113 57.112 2.131 0.642 0.618 0.911 0.679 CB 1.515 113 residues pruned to eliminate duplicates Z: 67 39.196 2.173 0.661 0.536 0.924 0.545 CB 1.397 67 residues pruned to eliminate duplicates Z: 66 44.812 2.185 0.766 0.544 0.954 0.631 CB 1.447 66 residues pruned to eliminate duplicates Z: 64 44.213 2.189 0.705 0.545 0.968 0.476 CB 1.474 64 residues pruned to eliminate duplicates Z: 65 44.976 2.202 0.764 0.525 0.969 0.578 CB 1.458 65 residues pruned to eliminate duplicates Z: 38 35.761 2.090 0.708 0.682 0.919 0.676 CB 1.516 38 residues pruned to eliminate duplicates Z: 40 40.046 2.015 0.835 0.679 0.949 0.641 CB 1.552 40 residues pruned to eliminate duplicates Z: 85 52.006 2.091 0.754 0.686 0.905 0.536 CB 1.442 85 residues pruned to eliminate duplicates Z: 39 27.284 2.014 0.692 0.536 0.868 0.579 CB 1.444 39 residues pruned to eliminate duplicates Z: 66 42.898 2.167 0.782 0.523 0.923 0.615 CB 1.460 66 residues pruned to eliminate duplicates Z: 40 37.856 2.124 0.836 0.596 0.923 0.590 CB 1.537 40 residues pruned to eliminate duplicates Z: 67 43.305 2.160 0.756 0.514 0.955 0.485 CB 1.452 67 residues pruned to eliminate duplicates Z: 41 32.702 2.018 0.904 0.624 0.925 0.625 CB 1.294 41 residues pruned to eliminate duplicates Z: 38 35.375 2.098 0.892 0.673 0.919 0.622 CB 1.359 38 residues pruned to eliminate duplicates Z: 38 40.690 2.107 1.055 0.685 0.919 0.622 CB 1.419 38 residues pruned to eliminate duplicates Z: 38 33.950 2.074 0.791 0.638 0.919 0.622 CB 1.437 38 residues pruned to eliminate duplicates Z: 63 50.782 2.207 0.919 0.571 0.968 0.548 CB 1.470 63 residues pruned to eliminate duplicates Z: 62 48.398 2.219 0.791 0.550 0.984 0.541 CB 1.509 62 residues pruned to eliminate duplicates Z: 64 46.434 2.174 0.831 0.561 0.968 0.540 CB 1.431 64 residues pruned to eliminate duplicates Z: 63 44.657 2.189 0.842 0.551 0.903 0.516 CB 1.482 63 residues pruned to eliminate duplicates Z: 38 36.655 2.089 0.986 0.663 0.892 0.514 CB 1.400 38 residues pruned to eliminate duplicates Z: 39 37.220 2.087 0.864 0.703 0.947 0.605 CB 1.362 39 residues pruned to eliminate duplicates Z: 39 36.382 2.067 0.870 0.651 0.895 0.579 CB 1.482 39 residues pruned to eliminate duplicates Z: 57 43.903 2.225 0.845 0.534 0.929 0.518 CB 1.488 57 residues pruned to eliminate duplicates Z: 40 37.167 2.048 0.904 0.632 0.949 0.667 CB 1.421 40 residues pruned to eliminate duplicates Z: 40 31.815 2.056 0.773 0.624 0.872 0.564 CB 1.427 40 residues pruned to eliminate duplicates Z: 71 43.975 2.104 0.826 0.511 0.957 0.500 CB 1.414 71 residues pruned to eliminate duplicates Z: 63 43.593 2.176 0.758 0.521 0.952 0.565 CB 1.490 63 residues pruned to eliminate duplicates Z: 65 44.184 2.170 0.761 0.513 0.969 0.594 CB 1.473 65 residues pruned to eliminate duplicates Z: 6 2.016 1.788 -0.239 0.393 0.600 0.200 CB 1.235 6 residues pruned to eliminate duplicates Z: 36 29.010 2.076 0.819 0.596 0.857 0.543 CB 1.383 36 residues pruned to eliminate duplicates Z: 48 48.128 2.131 0.843 0.765 0.936 0.596 CA 1.510 48 residues pruned to eliminate duplicates Z: 87 56.006 2.106 0.859 0.693 0.895 0.628 CB 1.444 87 residues pruned to eliminate duplicates Z: 87 58.968 2.107 0.866 0.709 0.895 0.593 CB 1.494 87 residues pruned to eliminate duplicates Z: 25 23.581 2.058 0.680 0.577 0.917 0.292 CB 1.410 25 residues pruned to eliminate duplicates Z: 62 46.668 2.041 0.737 0.758 0.902 0.689 CB 1.486 62 residues pruned to eliminate duplicates Z: 47 53.536 2.171 0.819 0.795 1.000 0.739 CA 1.543 47 residues pruned to eliminate duplicates Z: 49 51.396 2.109 0.942 0.764 0.938 0.688 CA 1.528 49 residues pruned to eliminate duplicates Z: 47 49.133 2.149 0.878 0.758 0.913 0.674 CA 1.564 47 residues pruned to eliminate duplicates Z: 19 31.037 2.222 0.921 0.683 0.944 0.722 CB 1.534 19 residues pruned to eliminate duplicates Z: 17 38.383 2.310 0.977 0.770 1.000 0.688 CA 1.654 17 residues pruned to eliminate duplicates Z: 18 36.159 2.217 1.072 0.727 1.000 0.882 CB 1.556 18 residues pruned to eliminate duplicates Z: 44 48.337 2.155 0.800 0.787 0.953 0.721 CA 1.548 44 residues pruned to eliminate duplicates Z: 83 64.103 2.118 0.857 0.715 0.963 0.622 CB 1.538 83 residues pruned to eliminate duplicates Z: 49 49.837 2.126 0.825 0.759 0.938 0.750 CA 1.570 49 residues pruned to eliminate duplicates Z: 52 44.527 2.088 0.735 0.720 0.922 0.627 CB 1.530 52 residues pruned to eliminate duplicates Z: 20 25.881 2.166 0.791 0.648 0.895 0.421 CB 1.490 20 residues pruned to eliminate duplicates Z: 21 27.318 2.097 1.064 0.622 0.900 0.600 CB 1.398 21 residues pruned to eliminate duplicates Z: 45 47.981 2.137 0.890 0.793 0.932 0.727 CA 1.487 45 residues pruned to eliminate duplicates Z: 85 61.368 2.127 0.912 0.741 0.905 0.560 CB 1.467 85 residues pruned to eliminate duplicates Z: 48 52.754 2.156 0.822 0.784 0.957 0.660 CA 1.594 48 residues pruned to eliminate duplicates Z: 44 56.387 2.186 0.885 0.819 0.977 0.744 CB 1.619 44 residues pruned to eliminate duplicates Z: 33 32.128 2.043 0.600 0.770 0.938 0.781 CA 1.459 33 residues pruned to eliminate duplicates Z: 34 43.866 2.114 0.758 0.828 1.000 0.727 CA 1.546 34 residues pruned to eliminate duplicates Z: 46 48.654 2.132 0.935 0.759 0.911 0.667 CB 1.532 46 residues pruned to eliminate duplicates Z: 46 51.485 2.162 0.890 0.785 0.956 0.667 CA 1.529 46 residues pruned to eliminate duplicates Z: 96 55.676 2.037 0.855 0.668 0.916 0.516 CB 1.413 96 residues pruned to eliminate duplicates Z: 62 51.498 2.032 0.864 0.765 0.951 0.508 CB 1.448 62 residues pruned to eliminate duplicates Z: 30 40.394 2.024 0.889 0.884 0.966 0.655 CA 1.469 30 residues pruned to eliminate duplicates Z: 63 51.680 2.047 0.808 0.772 0.935 0.694 CB 1.490 64 residues pruned to eliminate duplicates Z: 19 35.692 2.117 0.877 0.920 1.000 0.500 CA 1.491 19 residues pruned to eliminate duplicates Z: 50 49.609 2.106 0.839 0.747 0.939 0.612 CA 1.564 50 residues pruned to eliminate duplicates Z: 50 52.566 2.114 0.896 0.754 0.959 0.592 CA 1.557 50 residues pruned to eliminate duplicates Z: 75 51.013 1.973 0.822 0.708 0.932 0.568 CB 1.465 73 residues pruned to eliminate duplicates Z: 31 39.318 2.004 0.869 0.878 0.900 0.600 CA 1.546 31 residues pruned to eliminate duplicates Z: 27 46.025 2.098 1.014 0.868 0.962 0.500 CB 1.623 27 residues pruned to eliminate duplicates Z: 53 45.673 2.078 0.846 0.724 0.923 0.615 CB 1.461 53 residues pruned to eliminate duplicates Z: 32 35.647 2.040 0.816 0.774 0.903 0.355 CB 1.502 32 residues pruned to eliminate duplicates Z: 33 36.090 2.025 0.876 0.745 0.875 0.344 CB 1.542 33 residues pruned to eliminate duplicates Z: 62 43.655 2.090 0.801 0.700 0.869 0.426 CB 1.424 62 residues pruned to eliminate duplicates Z: 31 36.196 2.044 0.830 0.799 0.900 0.500 CB 1.512 31 residues pruned to eliminate duplicates Z: 82 63.933 2.139 0.929 0.742 0.914 0.580 CB 1.518 82 residues pruned to eliminate duplicates Z: 47 52.451 2.137 0.996 0.795 0.891 0.370 CB 1.571 47 residues pruned to eliminate duplicates Z: 34 31.663 1.879 0.922 0.735 0.879 0.333 CA 1.406 34 residues pruned to eliminate duplicates Z: 113 62.107 2.146 0.861 0.622 0.920 0.491 CB 1.424 113 residues pruned to eliminate duplicates Z: 49 54.655 2.131 0.904 0.776 0.979 0.562 CA 1.556 49 residues pruned to eliminate duplicates Z: 123 64.623 2.090 0.820 0.652 0.918 0.418 CB 1.455 123 residues pruned to eliminate duplicates Z: 48 55.836 2.123 0.968 0.781 0.957 0.553 CB 1.589 48 residues pruned to eliminate duplicates Z: 6 3.383 1.734 0.096 0.449 0.800 0.000 CB 1.049 6 residues pruned to eliminate duplicates Z: 53 40.649 1.930 0.770 0.771 0.904 0.481 CB 1.437 53 residues pruned to eliminate duplicates Z: 11 4.980 1.596 0.240 0.407 0.700 0.000 CA 1.252 11 residues pruned to eliminate duplicates Z: 36 36.065 1.907 0.814 0.798 0.943 0.543 CB 1.440 36 residues pruned to eliminate duplicates Z: 13 14.383 1.678 0.709 0.881 0.833 0.667 CB 1.259 13 residues pruned to eliminate duplicates Z: 59 46.460 1.998 0.872 0.756 0.914 0.448 CB 1.422 59 residues pruned to eliminate duplicates Z: 14 14.203 1.620 0.508 0.796 0.923 0.308 CB 1.347 14 residues pruned to eliminate duplicates Z: 18 15.995 1.695 0.521 0.761 0.941 0.471 CB 1.268 18 residues pruned to eliminate duplicates Z: 13 14.069 1.662 0.575 0.761 0.917 0.417 CB 1.342 13 residues pruned to eliminate duplicates Z: 48 41.480 1.891 0.857 0.770 0.936 0.553 CB 1.450 48 residues pruned to eliminate duplicates Z: 64 51.613 2.029 0.918 0.765 0.937 0.524 CB 1.411 64 residues pruned to eliminate duplicates Z: 67 41.312 1.873 0.714 0.751 0.939 0.485 CB 1.348 67 residues pruned to eliminate duplicates Z: 125 72.306 2.104 0.877 0.660 0.968 0.524 CB 1.465 125 residues pruned to eliminate duplicates Z: 13 11.844 1.657 0.423 0.876 0.833 0.167 CB 1.265 13 residues pruned to eliminate duplicates Z: 20 14.914 1.654 0.554 0.716 0.895 0.263 CB 1.224 20 residues pruned to eliminate duplicates Z: 14 13.094 1.634 0.522 0.785 0.923 0.538 CB 1.231 14 residues pruned to eliminate duplicates Z: 20 10.384 1.716 0.426 0.447 0.789 0.368 CB 1.302 20 residues pruned to eliminate duplicates Z: 16 12.123 1.809 0.431 0.465 0.933 0.400 CB 1.343 16 residues pruned to eliminate duplicates Z: 14 14.631 1.867 0.417 0.547 1.000 0.462 CB 1.465 14 residues pruned to eliminate duplicates Z: 13 18.459 2.005 0.531 0.591 1.000 0.583 CB 1.592 13 residues pruned to eliminate duplicates Z: 15 13.731 1.847 0.398 0.509 1.000 0.429 CB 1.409 15 residues pruned to eliminate duplicates Z: 14 15.356 1.890 0.435 0.534 1.000 0.308 CA 1.519 14 residues pruned to eliminate duplicates Z: 12 18.364 2.091 0.603 0.635 0.909 0.636 CB 1.600 12 residues pruned to eliminate duplicates Z: 12 19.211 2.100 0.493 0.647 1.000 0.636 CB 1.610 12 residues pruned to eliminate duplicates Z: 12 19.960 2.102 0.544 0.627 1.000 0.636 CB 1.646 12 residues pruned to eliminate duplicates Z: 13 18.205 1.951 0.585 0.592 1.000 0.583 CB 1.556 13 residues pruned to eliminate duplicates Z: 15 13.026 1.830 0.525 0.503 0.929 0.571 CB 1.340 15 residues pruned to eliminate duplicates Z: 27 16.349 1.874 0.475 0.518 0.808 0.538 CB 1.412 27 residues pruned to eliminate duplicates Z: 13 17.240 1.947 0.601 0.590 1.000 0.417 CB 1.465 13 residues pruned to eliminate duplicates Z: 13 15.239 1.939 0.503 0.598 0.917 0.667 CB 1.500 13 residues pruned to eliminate duplicates Z: 12 20.978 2.067 0.657 0.659 1.000 0.727 CB 1.594 12 residues pruned to eliminate duplicates Z: 66 44.022 2.054 0.614 0.653 0.954 0.677 CB 1.498 Z: 13 21.349 1.882 0.698 0.780 1.000 0.417 CB 1.506 13 residues pruned to eliminate duplicates Z: 16 13.199 2.046 0.633 0.494 0.733 0.333 CB 1.399 9 residues pruned to eliminate duplicates Z: 13 20.172 1.952 0.741 0.764 0.917 0.750 CB 1.479 13 residues pruned to eliminate duplicates Z: 13 15.370 1.943 0.818 0.718 0.833 0.333 CB 1.237 13 residues pruned to eliminate duplicates Z: 20 9.467 1.805 0.579 0.394 0.684 0.421 CB 1.246 20 residues pruned to eliminate duplicates Z: 16 11.042 2.010 0.445 0.486 0.733 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 11 17.296 2.112 0.717 0.730 0.900 0.500 CB 1.362 11 residues pruned to eliminate duplicates Z: 15 14.224 2.080 0.526 0.524 0.786 0.214 CB 1.488 15 residues pruned to eliminate duplicates Z: 15 13.225 2.052 0.507 0.527 0.786 0.214 CB 1.416 15 residues pruned to eliminate duplicates Z: 16 11.681 1.980 0.463 0.504 0.733 0.333 CB 1.413 16 residues pruned to eliminate duplicates Z: 17 15.270 2.026 0.632 0.447 0.812 0.125 CB 1.500 17 residues pruned to eliminate duplicates Z: 17 12.206 1.957 0.557 0.511 0.750 0.375 CB 1.320 17 residues pruned to eliminate duplicates Z: 10 5.000 1.704 0.201 0.200 1.000 0.556 CB 1.162 Z: 7 7.386 1.811 0.532 0.363 1.000 0.833 CA 1.260 7 residues pruned to eliminate duplicates Z: 6 4.492 1.655 0.190 0.436 1.000 1.000 CB 1.089 6 residues pruned to eliminate duplicates Z: 13 7.016 1.686 0.476 0.221 1.000 0.667 CB 1.128 11 residues pruned to eliminate duplicates Z: 6 2.742 1.303 0.358 0.569 0.800 0.200 CA 0.810 6 residues pruned to eliminate duplicates 617 residues left after pruning, divided into chains as follows: A: 7 B: 16 C: 22 D: 12 E: 43 F: 190 G: 17 H: 86 I: 143 J: 58 K: 15 L: 8 CC for partial structure against native data = 41.73 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.480, Connect. = 0.757 for dens.mod. cycle 1 = 0.303, Contrast = 0.542, Connect. = 0.776 for dens.mod. cycle 2 = 0.304, Contrast = 0.669, Connect. = 0.804 for dens.mod. cycle 3 = 0.303, Contrast = 0.672, Connect. = 0.803 for dens.mod. cycle 4 = 0.304, Contrast = 0.685, Connect. = 0.805 for dens.mod. cycle 5 = 0.303, Contrast = 0.688, Connect. = 0.806 for dens.mod. cycle 6 = 0.304, Contrast = 0.694, Connect. = 0.807 for dens.mod. cycle 7 = 0.304, Contrast = 0.696, Connect. = 0.808 for dens.mod. cycle 8 = 0.304, Contrast = 0.699, Connect. = 0.808 for dens.mod. cycle 9 = 0.304, Contrast = 0.700, Connect. = 0.809 for dens.mod. cycle 10 TimeTaking 267.22