null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:46:10 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: ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.ins Phases from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi Native data from ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.hkl Listing output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.lst Phases output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phs Poly-Ala trace output to ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 37459 Reflections read from file ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.phi 37459 Reflections read from file ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.hkl 37459 Unique data, highest resolution = 1.850 Angstroms Anisotropic scaling: intensities multiplied by 0.000095h^2 -0.000199k^2 +0.000139l^2 +0.000000kl +0.000196hl +0.000000hk 11 Reflections with d > 2.050 and 0 in range 2.050 > d > 1.850 added Density sharpening factor set to 0.98 Fourier grid = 128 x 128 x 57 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|> = 0.643 ** -f missing ?? ** = 0.256, Contrast = 0.129, Connect. = 0.603 for dens.mod. cycle 1 = 0.283, Contrast = 0.327, Connect. = 0.643 for dens.mod. cycle 2 = 0.299, Contrast = 0.546, Connect. = 0.736 for dens.mod. cycle 3 = 0.300, Contrast = 0.636, Connect. = 0.765 for dens.mod. cycle 4 = 0.300, Contrast = 0.689, Connect. = 0.780 for dens.mod. cycle 5 = 0.300, Contrast = 0.718, Connect. = 0.790 for dens.mod. cycle 6 = 0.300, Contrast = 0.735, Connect. = 0.796 for dens.mod. cycle 7 = 0.300, Contrast = 0.746, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.753, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.757, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1785 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 423 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 55.775 2.366 1.181 0.922 0.950 0.800 CA 1.790 B: 21 56.696 2.387 1.213 0.919 0.950 0.700 CA 1.780 21 residues pruned to eliminate duplicates C: 20 54.948 2.390 1.197 0.947 0.947 0.842 CA 1.751 20 residues pruned to eliminate duplicates D: 21 60.594 2.368 1.362 0.939 1.000 0.700 CA 1.684 21 residues pruned to eliminate duplicates E: 20 65.564 2.421 1.348 0.925 1.000 0.842 CB 1.857 20 residues pruned to eliminate duplicates F: 21 53.052 2.348 1.231 0.923 0.950 0.800 CA 1.675 21 residues pruned to eliminate duplicates G: 10 22.624 2.356 0.518 0.876 1.000 0.778 CB 1.532 H: 13 19.874 2.143 0.579 0.846 0.833 0.417 CB 1.512 I: 14 22.329 2.074 0.446 0.885 0.923 0.462 CA 1.615 14 residues pruned to eliminate duplicates J: 20 47.118 2.221 1.235 0.937 0.947 0.526 CB 1.600 K: 21 57.346 2.357 1.342 0.911 0.950 0.750 CA 1.733 21 residues pruned to eliminate duplicates L: 22 49.093 2.339 1.203 0.877 0.905 0.667 CA 1.669 22 residues pruned to eliminate duplicates M: 20 60.903 2.385 1.346 0.954 1.000 0.684 CA 1.718 20 residues pruned to eliminate duplicates N: 12 22.841 2.044 1.029 0.860 0.909 0.545 CB 1.343 O: 12 22.566 2.126 0.487 0.897 0.909 0.636 CA 1.695 10 residues pruned to eliminate duplicates P: 13 48.108 2.343 1.484 0.932 1.000 0.917 CB 1.667 Q: 16 33.324 2.257 1.065 0.874 0.867 0.800 CB 1.549 16 residues pruned to eliminate duplicates R: 11 26.010 2.349 0.798 0.899 0.900 0.800 CB 1.546 10 residues pruned to eliminate duplicates S: 16 36.238 2.217 1.393 0.839 0.933 0.800 CB 1.411 14 residues pruned to eliminate duplicates T: 14 25.832 1.992 0.729 0.855 0.923 0.615 CB 1.663 15 residues pruned to eliminate duplicates U: 13 22.440 2.033 0.571 0.871 1.000 0.833 CB 1.480 13 residues pruned to eliminate duplicates V: 20 36.177 2.168 1.077 0.928 0.895 0.632 CB 1.443 12 residues pruned to eliminate duplicates W: 16 24.088 2.011 0.741 0.837 0.867 0.667 CA 1.532 X: 15 42.548 2.208 1.419 0.899 1.000 0.714 CB 1.521 15 residues pruned to eliminate duplicates Y: 21 57.064 2.400 1.197 0.928 0.950 0.900 CA 1.785 21 residues pruned to eliminate duplicates Z: 11 26.923 2.239 0.848 0.808 1.000 0.600 CA 1.574 10 residues pruned to eliminate duplicates Z: 23 40.772 2.075 1.020 0.918 0.955 0.682 CA 1.532 21 residues pruned to eliminate duplicates Z: 23 34.915 2.044 0.987 0.899 1.000 0.591 CB 1.310 21 residues pruned to eliminate duplicates Z: 22 43.680 2.165 1.213 0.888 0.905 0.667 CA 1.584 22 residues pruned to eliminate duplicates Z: 20 50.389 2.269 1.232 0.955 0.947 0.684 CB 1.656 21 residues pruned to eliminate duplicates Z: 19 55.599 2.398 1.236 0.936 1.000 0.944 CA 1.703 19 residues pruned to eliminate duplicates Z: 14 22.846 1.957 0.502 0.859 1.000 0.538 CB 1.586 14 residues pruned to eliminate duplicates Z: 13 24.011 2.118 0.485 0.837 1.000 0.583 CB 1.649 13 residues pruned to eliminate duplicates Z: 21 59.986 2.263 1.580 0.954 0.950 0.950 CA 1.664 21 residues pruned to eliminate duplicates Z: 17 27.420 1.924 0.765 0.910 0.938 0.688 CB 1.527 17 residues pruned to eliminate duplicates Z: 6 10.983 2.122 0.478 0.600 1.000 0.600 CB 1.422 6 residues pruned to eliminate duplicates Z: 13 24.116 2.035 0.902 0.805 0.917 0.750 CA 1.503 13 residues pruned to eliminate duplicates Z: 13 22.488 2.159 0.444 0.881 0.917 0.667 CB 1.644 13 residues pruned to eliminate duplicates Z: 20 46.442 2.360 0.963 0.924 0.947 0.737 CA 1.705 20 residues pruned to eliminate duplicates Z: 15 33.602 2.283 1.326 0.878 0.786 0.643 CB 1.563 15 residues pruned to eliminate duplicates Z: 13 22.403 2.140 0.371 0.867 1.000 0.833 CA 1.613 13 residues pruned to eliminate duplicates Z: 20 64.050 2.395 1.548 0.911 0.947 0.632 CA 1.801 20 residues pruned to eliminate duplicates Z: 21 39.335 2.199 0.804 0.911 0.950 0.800 CA 1.655 21 residues pruned to eliminate duplicates Z: 14 30.994 2.228 0.787 0.920 1.000 0.923 CB 1.521 14 residues pruned to eliminate duplicates Z: 23 40.855 2.041 1.296 0.906 1.000 0.500 CB 1.322 22 residues pruned to eliminate duplicates Z: 17 22.011 1.953 0.638 0.839 0.875 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 20 49.114 2.284 1.234 0.947 0.947 0.105 CB 1.611 20 residues pruned to eliminate duplicates Z: 16 32.261 2.118 0.862 0.882 1.000 0.867 CB 1.528 15 residues pruned to eliminate duplicates Z: 21 38.466 2.193 0.760 0.941 0.950 0.850 CA 1.627 21 residues pruned to eliminate duplicates Z: 21 42.117 2.203 0.966 0.936 0.950 0.850 CB 1.594 21 residues pruned to eliminate duplicates Z: 22 44.123 2.159 1.050 0.930 0.952 0.810 CA 1.598 22 residues pruned to eliminate duplicates Z: 22 47.149 2.148 1.236 0.927 1.000 0.571 CB 1.501 23 residues pruned to eliminate duplicates Z: 13 23.295 2.164 0.855 0.812 0.833 0.583 CB 1.532 13 residues pruned to eliminate duplicates Z: 15 24.481 2.184 0.627 0.839 0.929 0.714 CB 1.481 15 residues pruned to eliminate duplicates Z: 22 48.252 2.244 1.188 0.883 0.905 0.667 CA 1.715 22 residues pruned to eliminate duplicates Z: 21 42.333 2.201 1.009 0.916 0.950 0.650 CA 1.591 21 residues pruned to eliminate duplicates Z: 18 27.225 2.133 0.964 0.857 0.882 0.588 CB 1.316 18 residues pruned to eliminate duplicates Z: 24 37.550 2.015 1.172 0.904 0.957 0.739 CB 1.332 24 residues pruned to eliminate duplicates Z: 13 23.742 2.191 0.531 0.866 0.917 0.833 CA 1.631 13 residues pruned to eliminate duplicates Z: 8 26.984 2.412 0.948 0.887 1.000 1.000 CB 1.565 8 residues pruned to eliminate duplicates Z: 21 38.927 2.178 0.734 0.918 1.000 0.950 CB 1.625 21 residues pruned to eliminate duplicates Z: 15 29.538 2.251 0.889 0.883 0.929 0.857 CA 1.445 15 residues pruned to eliminate duplicates Z: 23 32.672 2.005 0.981 0.888 0.955 0.682 CB 1.324 23 residues pruned to eliminate duplicates Z: 21 57.317 2.311 1.363 0.909 0.950 0.800 CA 1.753 21 residues pruned to eliminate duplicates Z: 21 45.185 2.211 1.017 0.938 0.950 0.850 CB 1.659 21 residues pruned to eliminate duplicates Z: 18 22.217 2.055 0.872 0.676 0.882 0.529 CB 1.351 Z: 22 42.816 2.131 0.966 0.914 1.000 0.857 CA 1.577 22 residues pruned to eliminate duplicates Z: 13 21.094 2.050 0.693 0.859 0.917 0.833 CB 1.408 13 residues pruned to eliminate duplicates Z: 14 21.322 2.075 0.597 0.894 0.923 0.923 CA 1.387 Z: 12 24.604 2.037 0.828 0.822 1.000 0.636 CB 1.507 Z: 6 10.546 1.832 0.460 0.875 1.000 1.000 CB 1.282 Z: 13 27.377 2.243 0.729 0.892 0.917 0.833 CB 1.597 13 residues pruned to eliminate duplicates Z: 19 15.820 1.925 0.752 0.646 0.833 0.667 CB 1.158 19 residues pruned to eliminate duplicates Z: 12 23.363 2.116 0.829 0.895 1.000 0.818 CB 1.305 12 residues pruned to eliminate duplicates Z: 22 37.195 2.100 0.856 0.950 1.000 0.810 CA 1.436 21 residues pruned to eliminate duplicates Z: 23 41.039 2.056 1.158 0.922 1.000 0.591 CB 1.387 23 residues pruned to eliminate duplicates Z: 22 44.749 2.144 1.070 0.945 0.952 0.810 CA 1.599 22 residues pruned to eliminate duplicates Z: 15 21.089 1.942 0.996 0.883 0.857 0.714 CB 1.227 15 residues pruned to eliminate duplicates Z: 22 38.585 2.098 1.058 0.930 1.000 0.619 CB 1.364 22 residues pruned to eliminate duplicates Z: 22 45.423 2.153 1.121 0.941 0.952 0.619 CB 1.582 22 residues pruned to eliminate duplicates Z: 15 23.886 2.066 0.681 0.866 0.857 0.714 CA 1.569 15 residues pruned to eliminate duplicates Z: 12 20.641 2.228 0.529 0.874 0.818 0.636 CB 1.625 12 residues pruned to eliminate duplicates Z: 13 22.357 2.037 0.773 0.814 0.917 0.500 CB 1.483 12 residues pruned to eliminate duplicates Z: 13 22.429 2.001 0.660 0.814 1.000 0.833 CB 1.483 13 residues pruned to eliminate duplicates Z: 22 32.654 2.103 0.687 0.924 0.952 0.810 CA 1.482 22 residues pruned to eliminate duplicates Z: 23 24.916 1.953 0.627 0.890 1.000 0.864 CB 1.203 22 residues pruned to eliminate duplicates Z: 19 14.814 1.927 0.452 0.717 0.889 0.556 CB 1.153 19 residues pruned to eliminate duplicates Z: 20 51.903 2.282 1.235 0.934 1.000 0.895 CB 1.629 20 residues pruned to eliminate duplicates Z: 21 40.533 2.166 0.932 0.921 0.950 0.850 CB 1.604 21 residues pruned to eliminate duplicates Z: 17 28.224 1.921 0.899 0.877 0.938 0.625 CB 1.498 17 residues pruned to eliminate duplicates Z: 15 12.015 1.887 0.583 0.691 0.857 0.786 CB 1.054 Z: 13 21.767 1.995 0.618 0.831 1.000 0.833 CB 1.463 13 residues pruned to eliminate duplicates Z: 22 44.385 2.160 1.029 0.937 0.952 0.810 CA 1.615 22 residues pruned to eliminate duplicates Z: 14 21.316 1.979 0.701 0.797 0.923 0.769 CB 1.467 14 residues pruned to eliminate duplicates Z: 22 39.083 2.113 0.986 0.931 0.952 0.619 CA 1.491 22 residues pruned to eliminate duplicates Z: 16 20.104 1.871 0.638 0.811 1.000 0.600 CB 1.292 16 residues pruned to eliminate duplicates Z: 14 25.830 2.041 0.866 0.913 1.000 0.923 CB 1.331 13 residues pruned to eliminate duplicates Z: 22 30.924 2.040 0.740 0.924 1.000 0.905 CB 1.334 23 residues pruned to eliminate duplicates Z: 15 15.385 1.720 0.496 0.834 1.000 0.714 CB 1.198 Z: 14 19.862 1.905 0.362 0.879 1.000 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 22 29.185 2.046 0.629 0.923 1.000 0.905 CA 1.343 22 residues pruned to eliminate duplicates Z: 16 25.917 2.059 0.661 0.855 0.933 0.667 CA 1.548 16 residues pruned to eliminate duplicates Z: 13 36.764 2.260 1.258 0.924 1.000 1.000 CB 1.461 13 residues pruned to eliminate duplicates Z: 7 10.122 1.832 0.504 0.871 1.000 0.333 CB 1.094 Z: 16 13.433 1.808 0.418 0.850 0.800 0.667 CB 1.253 Z: 14 17.064 1.943 0.511 0.817 1.000 0.923 CB 1.224 14 residues pruned to eliminate duplicates Z: 12 36.787 2.321 1.035 0.906 1.000 0.909 CA 1.670 12 residues pruned to eliminate duplicates Z: 19 15.973 1.788 0.574 0.810 0.944 0.611 CB 1.082 16 residues pruned to eliminate duplicates Z: 24 31.142 2.012 0.791 0.856 1.000 0.913 CB 1.330 24 residues pruned to eliminate duplicates Z: 21 32.785 2.204 1.166 0.645 0.900 0.700 CB 1.490 15 residues pruned to eliminate duplicates Z: 63 43.618 1.988 0.952 0.657 0.935 0.645 CB 1.319 49 residues pruned to eliminate duplicates Z: 23 31.252 2.043 0.866 0.903 0.955 0.727 CB 1.304 23 residues pruned to eliminate duplicates Z: 22 47.180 2.147 1.218 0.936 0.952 0.476 CA 1.580 22 residues pruned to eliminate duplicates Z: 13 35.032 2.151 1.006 0.903 1.000 0.500 CA 1.670 16 residues pruned to eliminate duplicates Z: 23 36.004 2.052 0.871 0.944 1.000 0.864 CB 1.385 23 residues pruned to eliminate duplicates Z: 25 32.693 1.963 1.114 0.848 0.917 0.458 CB 1.301 23 residues pruned to eliminate duplicates Z: 18 17.761 1.881 0.622 0.834 0.941 0.471 CB 1.125 19 residues pruned to eliminate duplicates Z: 10 16.875 1.949 0.867 0.810 0.889 0.889 CA 1.328 10 residues pruned to eliminate duplicates Z: 21 32.662 2.132 0.721 0.884 0.950 0.850 CA 1.514 21 residues pruned to eliminate duplicates Z: 13 22.350 1.980 1.214 0.829 0.833 0.583 CB 1.329 15 residues pruned to eliminate duplicates Z: 18 14.283 1.775 0.510 0.811 0.882 0.529 CB 1.117 Z: 14 25.658 1.905 0.720 0.909 1.000 0.615 CA 1.541 14 residues pruned to eliminate duplicates Z: 12 11.171 1.534 0.377 0.879 1.000 0.727 CB 1.156 12 residues pruned to eliminate duplicates Z: 112 65.898 2.149 0.819 0.657 0.937 0.613 CB 1.477 105 residues pruned to eliminate duplicates Z: 14 38.717 2.283 1.258 0.895 0.923 0.769 CA 1.618 14 residues pruned to eliminate duplicates Z: 11 13.646 1.711 0.680 0.928 1.000 0.700 CB 1.052 Z: 71 75.677 2.317 1.132 0.734 0.900 0.571 CB 1.650 71 residues pruned to eliminate duplicates Z: 18 12.780 1.811 0.412 0.813 0.882 0.588 CB 1.046 18 residues pruned to eliminate duplicates Z: 10 13.102 1.633 0.746 0.895 1.000 0.556 CB 1.098 Z: 12 14.490 1.580 0.818 0.905 1.000 0.727 CB 1.083 10 residues pruned to eliminate duplicates Z: 22 40.146 2.095 1.080 0.938 1.000 0.714 CB 1.398 22 residues pruned to eliminate duplicates Z: 12 23.387 2.164 0.461 0.890 1.000 0.636 CB 1.604 12 residues pruned to eliminate duplicates Z: 12 17.332 1.903 0.540 0.906 1.000 0.818 CA 1.269 12 residues pruned to eliminate duplicates Z: 20 18.612 1.813 0.736 0.898 1.000 0.737 CB 0.970 7 residues pruned to eliminate duplicates Z: 14 23.292 2.109 0.561 0.836 1.000 0.769 CB 1.469 14 residues pruned to eliminate duplicates Z: 13 20.753 2.058 0.742 0.809 0.917 0.833 CB 1.393 11 residues pruned to eliminate duplicates Z: 17 27.271 2.096 0.793 0.834 0.938 0.688 CB 1.450 17 residues pruned to eliminate duplicates Z: 15 39.690 2.230 1.686 0.883 0.857 0.500 CB 1.494 15 residues pruned to eliminate duplicates Z: 22 33.668 2.067 0.779 0.920 1.000 0.810 CA 1.406 22 residues pruned to eliminate duplicates Z: 15 20.667 1.917 0.630 0.811 1.000 0.714 CB 1.348 15 residues pruned to eliminate duplicates Z: 22 25.301 1.853 0.895 0.925 1.000 0.571 CB 1.103 20 residues pruned to eliminate duplicates Z: 33 42.479 2.177 0.965 0.760 0.938 0.688 CB 1.486 33 residues pruned to eliminate duplicates Z: 12 25.564 2.096 1.326 0.910 0.909 0.364 CB 1.234 12 residues pruned to eliminate duplicates Z: 12 15.134 1.922 0.460 0.805 1.000 0.909 CB 1.246 12 residues pruned to eliminate duplicates Z: 6 3.468 1.448 0.902 0.510 1.000 0.600 CB 0.558 Z: 59 59.094 2.264 0.851 0.683 0.948 0.707 CB 1.652 59 residues pruned to eliminate duplicates Z: 13 18.252 2.031 0.642 0.741 0.917 0.667 CB 1.389 13 residues pruned to eliminate duplicates Z: 14 24.403 2.017 0.866 0.911 1.000 0.846 CB 1.274 13 residues pruned to eliminate duplicates Z: 12 17.592 1.949 0.724 0.867 1.000 0.727 CB 1.155 12 residues pruned to eliminate duplicates Z: 19 17.479 1.850 0.515 0.910 1.000 0.944 CB 1.043 19 residues pruned to eliminate duplicates Z: 9 9.810 1.627 0.348 0.903 1.000 0.625 CB 1.127 9 residues pruned to eliminate duplicates Z: 19 20.895 2.040 0.689 0.655 0.778 0.500 CB 1.592 19 residues pruned to eliminate duplicates Z: 12 12.512 1.797 0.442 0.819 1.000 0.545 CB 1.104 12 residues pruned to eliminate duplicates Z: 10 11.170 1.641 0.523 0.901 1.000 0.556 CB 1.063 10 residues pruned to eliminate duplicates Z: 10 12.139 1.711 0.713 0.904 1.000 0.778 CB 0.983 Z: 15 41.527 2.247 1.192 0.909 1.000 0.857 CB 1.598 15 residues pruned to eliminate duplicates Z: 12 11.019 1.531 0.456 0.874 1.000 0.818 CB 1.084 Z: 17 16.503 1.988 0.431 0.727 0.875 0.750 CB 1.351 17 residues pruned to eliminate duplicates Z: 14 21.119 1.893 0.995 0.907 0.923 0.769 CB 1.194 14 residues pruned to eliminate duplicates Z: 14 23.332 1.895 0.628 0.895 1.000 0.846 CA 1.504 14 residues pruned to eliminate duplicates Z: 18 20.159 1.882 0.740 0.917 1.000 0.706 CB 1.054 18 residues pruned to eliminate duplicates Z: 13 25.923 2.098 1.070 0.919 0.917 0.917 CB 1.324 13 residues pruned to eliminate duplicates Z: 6 2.128 1.941 0.250 0.708 0.800 0.600 CB 0.406 6 residues pruned to eliminate duplicates Z: 9 7.691 1.541 0.243 0.909 1.000 1.000 CB 1.008 9 residues pruned to eliminate duplicates Z: 14 26.138 2.003 0.938 0.854 1.000 0.846 CB 1.379 14 residues pruned to eliminate duplicates Z: 10 11.719 1.947 0.321 0.754 0.889 0.778 CB 1.363 10 residues pruned to eliminate duplicates Z: 11 12.229 1.688 0.741 0.901 0.900 0.700 CB 1.043 11 residues pruned to eliminate duplicates Z: 19 18.912 1.956 0.776 0.711 0.889 0.667 CB 1.192 19 residues pruned to eliminate duplicates Z: 18 24.383 1.980 0.719 0.824 0.941 0.529 CB 1.394 18 residues pruned to eliminate duplicates Z: 14 17.741 1.880 0.348 0.835 1.000 0.846 CB 1.454 15 residues pruned to eliminate duplicates Z: 20 16.440 1.832 0.514 0.865 0.947 0.842 CB 1.052 20 residues pruned to eliminate duplicates Z: 13 21.656 2.069 0.750 0.839 0.833 0.417 CB 1.547 13 residues pruned to eliminate duplicates Z: 14 19.964 1.982 0.568 0.757 0.923 0.692 CB 1.536 14 residues pruned to eliminate duplicates Z: 24 39.888 1.959 1.285 0.938 0.957 0.565 CB 1.351 24 residues pruned to eliminate duplicates Z: 23 24.277 1.971 0.456 0.912 1.000 0.955 CB 1.278 23 residues pruned to eliminate duplicates Z: 17 17.550 1.989 0.516 0.671 0.875 0.688 CB 1.420 17 residues pruned to eliminate duplicates Z: 18 24.476 1.893 1.069 0.934 0.941 0.529 CB 1.124 19 residues pruned to eliminate duplicates Z: 13 34.674 2.269 0.909 0.939 1.000 1.000 CA 1.605 13 residues pruned to eliminate duplicates Z: 15 25.857 2.095 0.674 0.896 0.929 0.929 CA 1.520 15 residues pruned to eliminate duplicates Z: 6 11.383 2.021 0.900 0.707 0.800 0.800 CA 1.373 6 residues pruned to eliminate duplicates Z: 32 38.978 2.121 0.993 0.797 0.935 0.548 CB 1.366 33 residues pruned to eliminate duplicates Z: 9 13.020 1.704 0.517 0.913 1.000 1.000 CB 1.260 8 residues pruned to eliminate duplicates Z: 14 19.365 2.063 0.727 0.840 0.846 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 17 16.918 2.011 0.557 0.659 0.812 0.438 CB 1.435 17 residues pruned to eliminate duplicates Z: 16 25.559 2.049 0.677 0.817 1.000 0.600 CB 1.458 16 residues pruned to eliminate duplicates Z: 13 10.826 1.738 0.256 0.808 1.000 0.750 CB 1.094 13 residues pruned to eliminate duplicates Z: 19 20.689 1.872 0.714 0.924 1.000 0.722 CB 1.067 18 residues pruned to eliminate duplicates Z: 10 11.243 1.869 0.442 0.899 1.000 1.000 CB 0.994 10 residues pruned to eliminate duplicates Z: 9 11.486 1.777 0.346 0.908 1.000 0.625 CB 1.205 9 residues pruned to eliminate duplicates Z: 11 11.192 1.692 0.402 0.916 1.000 0.800 CB 1.054 11 residues pruned to eliminate duplicates Z: 10 10.896 1.703 0.534 0.874 1.000 0.667 CB 1.012 10 residues pruned to eliminate duplicates Z: 14 25.052 1.992 0.772 0.820 1.000 0.769 CB 1.491 14 residues pruned to eliminate duplicates Z: 11 12.309 1.704 0.558 0.919 1.000 0.900 CB 1.034 11 residues pruned to eliminate duplicates Z: 21 21.716 1.844 0.716 0.955 1.000 0.800 CB 1.055 21 residues pruned to eliminate duplicates Z: 10 8.239 1.812 0.331 0.902 1.000 0.778 CB 0.812 10 residues pruned to eliminate duplicates Z: 18 17.229 1.929 0.419 0.712 0.941 0.765 CB 1.338 18 residues pruned to eliminate duplicates Z: 12 9.025 1.851 0.319 0.720 0.909 0.636 CB 1.004 12 residues pruned to eliminate duplicates Z: 14 23.432 2.035 0.518 0.830 1.000 0.692 CB 1.581 14 residues pruned to eliminate duplicates Z: 10 11.850 1.691 0.568 0.883 1.000 0.667 CB 1.077 10 residues pruned to eliminate duplicates Z: 11 12.810 1.728 0.650 0.884 1.000 0.800 CB 1.027 11 residues pruned to eliminate duplicates Z: 21 23.371 1.832 0.960 0.951 0.950 0.650 CB 1.056 22 residues pruned to eliminate duplicates Z: 10 6.556 1.651 0.260 0.442 0.889 0.556 CA 1.255 6 residues pruned to eliminate duplicates Z: 14 15.552 1.814 0.804 0.699 0.923 0.308 CB 1.191 13 residues pruned to eliminate duplicates Z: 13 16.594 1.900 0.480 0.802 1.000 0.833 CB 1.309 13 residues pruned to eliminate duplicates Z: 11 12.478 1.668 0.546 0.911 1.000 1.000 CB 1.085 11 residues pruned to eliminate duplicates Z: 9 13.628 1.678 0.823 0.906 1.000 0.750 CB 1.121 9 residues pruned to eliminate duplicates Z: 74 79.045 2.283 1.128 0.726 0.932 0.836 CB 1.667 74 residues pruned to eliminate duplicates Z: 14 15.685 1.836 0.383 0.839 0.923 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 8 9.642 1.841 0.568 0.479 1.000 0.429 CB 1.290 8 residues pruned to eliminate duplicates Z: 10 10.416 1.627 0.368 0.919 1.000 1.000 CB 1.099 10 residues pruned to eliminate duplicates Z: 6 12.956 2.087 0.882 0.807 0.800 0.800 CB 1.411 6 residues pruned to eliminate duplicates Z: 13 14.914 1.900 0.307 0.812 1.000 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 14 24.136 2.121 0.773 0.862 0.846 0.846 CA 1.544 14 residues pruned to eliminate duplicates Z: 12 11.812 1.852 0.340 0.846 1.000 1.000 CB 1.066 12 residues pruned to eliminate duplicates Z: 11 9.599 1.645 0.290 0.923 1.000 0.900 CB 1.005 11 residues pruned to eliminate duplicates Z: 20 21.152 1.836 0.782 0.945 1.000 0.789 CB 1.026 20 residues pruned to eliminate duplicates Z: 11 10.945 1.550 0.373 0.913 1.000 0.900 CB 1.151 11 residues pruned to eliminate duplicates Z: 13 23.567 2.166 0.562 0.864 0.917 0.833 CA 1.608 13 residues pruned to eliminate duplicates Z: 6 11.773 1.875 0.539 0.814 1.000 0.400 CB 1.388 6 residues pruned to eliminate duplicates Z: 9 2.181 1.425 0.878 0.260 0.625 0.375 N 0.606 Z: 11 12.005 1.846 0.321 0.801 1.000 0.800 CB 1.196 11 residues pruned to eliminate duplicates Z: 15 28.192 1.915 1.228 0.928 1.000 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 20 20.116 1.809 0.872 0.903 0.947 0.789 CB 1.026 20 residues pruned to eliminate duplicates Z: 6 2.359 1.449 -0.016 0.294 0.800 0.600 O 1.165 Z: 21 23.513 1.836 0.876 0.921 0.950 0.650 CB 1.131 21 residues pruned to eliminate duplicates Z: 10 13.929 1.791 0.549 0.896 1.000 0.444 CB 1.199 11 residues pruned to eliminate duplicates Z: 14 32.311 2.223 0.824 0.861 1.000 0.769 CA 1.624 14 residues pruned to eliminate duplicates Z: 16 24.101 2.031 0.591 0.862 0.933 0.867 CA 1.515 16 residues pruned to eliminate duplicates Z: 11 9.657 1.675 0.309 0.880 1.000 0.900 CB 1.009 11 residues pruned to eliminate duplicates Z: 28 11.737 1.660 0.403 0.552 0.926 0.667 CB 0.995 15 residues pruned to eliminate duplicates Z: 17 15.710 1.863 0.500 0.800 0.938 0.625 CB 1.153 17 residues pruned to eliminate duplicates Z: 11 12.248 1.696 0.465 0.927 1.000 0.800 CB 1.092 11 residues pruned to eliminate duplicates Z: 17 14.994 1.822 0.640 0.609 0.938 0.375 CB 1.207 26 residues pruned to eliminate duplicates Z: 11 14.037 1.785 0.625 0.879 1.000 0.700 CB 1.110 11 residues pruned to eliminate duplicates Z: 18 14.549 1.778 0.667 0.752 0.882 0.706 CB 1.078 18 residues pruned to eliminate duplicates Z: 11 13.132 1.581 0.723 0.834 1.000 0.600 CB 1.142 11 residues pruned to eliminate duplicates Z: 18 23.136 1.944 0.684 0.887 0.882 0.647 CB 1.401 18 residues pruned to eliminate duplicates Z: 18 17.540 1.979 0.798 0.685 0.882 0.588 CB 1.144 18 residues pruned to eliminate duplicates Z: 21 11.855 1.765 0.276 0.548 1.000 0.500 CB 1.123 21 residues pruned to eliminate duplicates Z: 8 7.976 1.598 0.655 0.843 1.000 0.429 CB 0.848 8 residues pruned to eliminate duplicates Z: 13 19.709 2.072 0.378 0.806 1.000 0.500 CB 1.526 13 residues pruned to eliminate duplicates Z: 37 52.853 2.187 1.188 0.729 0.972 0.778 CB 1.540 37 residues pruned to eliminate duplicates Z: 11 10.535 1.578 0.753 0.839 0.900 0.700 CB 0.999 11 residues pruned to eliminate duplicates Z: 10 9.786 1.676 0.284 0.872 1.000 0.667 CB 1.105 10 residues pruned to eliminate duplicates Z: 22 27.913 2.065 0.539 0.922 1.000 0.857 CB 1.348 22 residues pruned to eliminate duplicates Z: 11 11.636 1.690 0.375 0.917 1.000 0.800 CB 1.117 11 residues pruned to eliminate duplicates Z: 59 71.635 2.292 1.119 0.705 0.966 0.707 CB 1.664 59 residues pruned to eliminate duplicates Z: 53 39.066 2.133 0.802 0.585 0.904 0.673 CB 1.436 53 residues pruned to eliminate duplicates Z: 15 26.801 2.180 0.839 0.888 1.000 0.786 CA 1.287 15 residues pruned to eliminate duplicates Z: 12 21.563 1.968 0.657 0.850 1.000 0.636 CB 1.477 12 residues pruned to eliminate duplicates Z: 11 13.308 1.618 0.497 0.912 1.000 1.000 CB 1.230 11 residues pruned to eliminate duplicates Z: 10 9.813 1.570 0.409 0.903 1.000 0.889 CB 1.054 10 residues pruned to eliminate duplicates Z: 16 9.655 1.778 0.653 0.616 0.733 0.467 CB 1.037 16 residues pruned to eliminate duplicates Z: 9 7.770 1.536 0.328 0.905 1.000 1.000 CB 0.959 9 residues pruned to eliminate duplicates Z: 13 17.384 1.892 0.473 0.817 1.000 0.750 CA 1.367 13 residues pruned to eliminate duplicates Z: 22 21.719 1.871 0.896 0.663 0.905 0.619 CB 1.269 22 residues pruned to eliminate duplicates Z: 15 51.902 2.392 1.464 0.923 0.929 0.714 CB 1.781 15 residues pruned to eliminate duplicates 7 1.737 1.543 0.734 0.393 0.833 0.500 CB 0.356 ? Z: 21 22.929 1.833 1.031 0.940 0.950 0.250 CB 1.006 21 residues pruned to eliminate duplicates Z: 20 16.678 1.782 0.534 0.692 1.000 0.842 CB 1.174 22 residues pruned to eliminate duplicates Z: 15 6.490 1.588 0.251 0.535 0.857 0.571 CB 0.984 15 residues pruned to eliminate duplicates Z: 21 28.037 1.856 1.170 0.957 1.000 0.550 CB 1.069 21 residues pruned to eliminate duplicates 7 1.935 1.367 -0.105 0.464 0.833 0.333 CB 0.804 ? Z: 49 30.077 1.952 0.842 0.628 0.896 0.479 CB 1.195 48 residues pruned to eliminate duplicates Z: 62 70.559 2.239 1.188 0.689 0.951 0.590 CB 1.631 62 residues pruned to eliminate duplicates Z: 6 7.926 1.575 0.343 0.765 1.000 0.600 C 1.325 6 residues pruned to eliminate duplicates Z: 11 15.044 1.788 0.823 0.872 0.900 0.400 CB 1.181 11 residues pruned to eliminate duplicates Z: 11 7.367 1.482 0.234 0.880 1.000 0.800 CB 0.923 11 residues pruned to eliminate duplicates Z: 35 33.820 2.022 1.073 0.661 0.882 0.529 CB 1.352 35 residues pruned to eliminate duplicates Z: 18 18.199 1.889 0.680 0.674 1.000 0.294 CB 1.184 18 residues pruned to eliminate duplicates Z: 10 11.166 1.731 0.233 0.891 1.000 0.889 CB 1.254 10 residues pruned to eliminate duplicates Z: 38 49.650 2.209 0.862 0.810 0.973 0.865 CB 1.557 38 residues pruned to eliminate duplicates Z: 43 30.366 1.914 0.874 0.652 0.881 0.429 CB 1.288 43 residues pruned to eliminate duplicates Z: 8 11.348 1.700 0.596 0.914 1.000 1.000 CB 1.118 8 residues pruned to eliminate duplicates Z: 12 11.190 1.785 0.360 0.844 1.000 0.818 CB 1.035 12 residues pruned to eliminate duplicates Z: 29 30.924 2.188 1.124 0.517 0.786 0.607 CB 1.573 29 residues pruned to eliminate duplicates Z: 31 46.630 2.207 1.027 0.722 0.967 0.700 CB 1.611 31 residues pruned to eliminate duplicates Z: 18 24.306 1.823 1.261 0.940 0.941 0.706 CB 1.055 17 residues pruned to eliminate duplicates Z: 17 13.972 1.930 0.095 0.943 1.000 1.000 CA 1.146 17 residues pruned to eliminate duplicates Z: 113 67.267 2.133 0.891 0.667 0.938 0.643 CB 1.440 113 residues pruned to eliminate duplicates Z: 10 9.693 1.629 0.236 0.923 1.000 1.000 CB 1.127 10 residues pruned to eliminate duplicates Z: 15 19.655 1.814 0.970 0.921 1.000 0.714 CB 1.035 15 residues pruned to eliminate duplicates Z: 8 9.511 1.751 0.749 0.418 1.000 0.429 CB 1.279 8 residues pruned to eliminate duplicates Z: 33 43.965 2.247 0.818 0.729 0.969 0.562 CB 1.598 33 residues pruned to eliminate duplicates Z: 9 9.672 1.627 0.361 0.912 1.000 1.000 CB 1.093 9 residues pruned to eliminate duplicates Z: 19 16.541 1.824 0.530 0.900 1.000 0.889 CB 0.997 19 residues pruned to eliminate duplicates Z: 19 11.936 1.717 0.218 0.844 0.889 0.667 CB 1.125 19 residues pruned to eliminate duplicates Z: 11 12.171 1.658 0.638 0.924 1.000 0.900 CB 0.996 11 residues pruned to eliminate duplicates Z: 43 65.799 2.321 1.103 0.730 0.976 0.714 CA 1.733 43 residues pruned to eliminate duplicates Z: 11 12.141 1.631 0.643 0.929 1.000 0.900 CB 1.003 10 residues pruned to eliminate duplicates Z: 17 18.667 1.957 0.609 0.749 1.000 0.562 CB 1.187 17 residues pruned to eliminate duplicates Z: 9 11.795 1.637 0.377 0.876 1.000 0.875 CB 1.344 9 residues pruned to eliminate duplicates Z: 21 57.107 2.321 1.475 0.912 0.900 0.700 CA 1.749 21 residues pruned to eliminate duplicates Z: 11 11.889 1.709 0.657 0.908 0.900 0.800 CB 1.048 11 residues pruned to eliminate duplicates Z: 14 20.266 1.972 0.482 0.826 1.000 0.846 CB 1.451 14 residues pruned to eliminate duplicates Z: 14 24.180 1.919 0.643 0.861 1.000 0.923 CB 1.563 14 residues pruned to eliminate duplicates Z: 23 25.404 1.967 0.444 0.933 1.000 0.818 CB 1.331 23 residues pruned to eliminate duplicates Z: 65 38.813 2.043 0.786 0.581 0.875 0.625 CB 1.406 65 residues pruned to eliminate duplicates Z: 45 52.403 2.141 0.994 0.786 0.955 0.659 CB 1.508 49 residues pruned to eliminate duplicates Z: 8 3.076 1.421 0.489 0.741 1.000 0.857 CB 0.443 Z: 12 8.230 1.569 0.251 0.798 0.909 0.636 CB 1.072 12 residues pruned to eliminate duplicates Z: 12 9.314 1.621 0.195 0.932 1.000 0.909 CB 1.012 12 residues pruned to eliminate duplicates Z: 13 20.722 1.991 0.862 0.788 0.833 0.667 CA 1.503 13 residues pruned to eliminate duplicates Z: 9 9.048 1.559 0.256 0.901 1.000 1.000 CB 1.166 9 residues pruned to eliminate duplicates Z: 11 17.516 1.834 0.589 0.916 1.000 0.200 CA 1.343 11 residues pruned to eliminate duplicates Z: 12 10.596 1.628 0.462 0.712 0.909 0.727 CB 1.218 12 residues pruned to eliminate duplicates Z: 20 17.499 1.632 0.694 0.682 0.947 0.684 CA 1.298 21 residues pruned to eliminate duplicates Z: 12 11.604 1.612 0.537 0.875 1.000 0.727 CB 1.027 11 residues pruned to eliminate duplicates Z: 16 32.999 2.187 1.023 0.868 1.000 0.800 CA 1.408 16 residues pruned to eliminate duplicates Z: 19 19.061 1.832 0.521 0.922 1.000 0.889 CB 1.134 19 residues pruned to eliminate duplicates Z: 26 12.734 1.702 0.302 0.536 0.960 0.680 CB 1.156 24 residues pruned to eliminate duplicates Z: 14 18.514 1.954 0.386 0.840 1.000 0.923 CA 1.414 14 residues pruned to eliminate duplicates Z: 13 15.437 1.961 0.649 0.843 1.000 0.667 CB 1.026 13 residues pruned to eliminate duplicates Z: 21 33.253 2.033 1.014 0.930 0.950 0.450 CB 1.337 21 residues pruned to eliminate duplicates Z: 9 6.456 1.802 0.122 0.452 0.875 0.500 CB 1.355 9 residues pruned to eliminate duplicates Z: 14 14.535 1.812 0.349 0.797 1.000 0.769 CB 1.272 14 residues pruned to eliminate duplicates Z: 8 11.428 1.798 0.200 0.892 1.000 0.857 CB 1.438 8 residues pruned to eliminate duplicates Z: 72 69.268 2.257 1.012 0.716 0.901 0.704 CB 1.651 72 residues pruned to eliminate duplicates Z: 19 17.316 1.951 0.691 0.667 0.889 0.778 CB 1.193 19 residues pruned to eliminate duplicates Z: 10 9.660 1.732 0.332 0.886 0.889 0.889 CB 1.133 10 residues pruned to eliminate duplicates 343 residues left after pruning, divided into chains as follows: A: 6 B: 17 C: 9 D: 30 E: 22 F: 111 G: 48 H: 66 I: 34 CC for partial structure against native data = 38.77 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.518, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.708, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.718, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.730, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.736, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.741, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.744, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.746, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.748, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1811 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 434 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 63.682 2.499 1.219 0.928 0.950 0.850 CA 1.893 B: 20 68.495 2.505 1.212 0.950 1.000 0.842 CA 1.957 21 residues pruned to eliminate duplicates C: 19 61.096 2.550 0.998 0.952 1.000 0.889 CA 1.946 19 residues pruned to eliminate duplicates D: 22 60.835 2.358 1.273 0.902 0.952 0.714 CA 1.854 22 residues pruned to eliminate duplicates E: 21 52.209 2.417 0.924 0.907 1.000 0.750 CA 1.784 21 residues pruned to eliminate duplicates F: 19 71.211 2.574 1.293 0.951 1.000 0.778 CA 1.960 19 residues pruned to eliminate duplicates G: 14 27.336 2.072 0.585 0.870 0.923 0.769 CB 1.826 H: 21 63.920 2.503 1.180 0.921 1.000 0.750 CA 1.843 21 residues pruned to eliminate duplicates I: 12 46.945 2.526 1.288 0.901 1.000 1.000 CA 1.748 J: 13 25.622 2.345 0.351 0.845 1.000 0.583 CA 1.735 K: 18 28.394 2.099 0.764 0.815 0.882 0.647 CB 1.603 13 residues pruned to eliminate duplicates L: 13 30.402 2.231 0.509 0.859 1.000 0.750 O 1.919 13 residues pruned to eliminate duplicates M: 14 25.059 2.139 0.470 0.832 0.923 0.846 O 1.798 14 residues pruned to eliminate duplicates N: 12 20.491 2.209 0.392 0.806 0.909 0.818 CB 1.692 12 residues pruned to eliminate duplicates O: 20 61.515 2.503 1.092 0.962 1.000 1.000 CA 1.844 20 residues pruned to eliminate duplicates P: 16 25.907 2.228 0.547 0.833 0.867 0.667 CB 1.680 16 residues pruned to eliminate duplicates Q: 13 25.629 2.213 0.531 0.816 0.917 0.583 CB 1.810 13 residues pruned to eliminate duplicates R: 20 59.214 2.478 1.208 0.934 0.947 0.842 CA 1.827 20 residues pruned to eliminate duplicates S: 15 35.295 2.287 0.689 0.886 1.000 0.857 CA 1.761 15 residues pruned to eliminate duplicates T: 21 42.256 2.310 0.645 0.929 1.000 0.850 CA 1.740 U: 22 50.591 2.439 1.059 0.897 0.905 0.810 CA 1.740 22 residues pruned to eliminate duplicates V: 15 44.274 2.422 1.256 0.883 1.000 0.857 CA 1.566 13 residues pruned to eliminate duplicates W: 21 46.939 2.325 0.916 0.888 0.950 0.650 CA 1.787 21 residues pruned to eliminate duplicates X: 21 62.401 2.435 1.185 0.922 1.000 0.850 CA 1.844 21 residues pruned to eliminate duplicates Y: 15 22.315 2.112 0.380 0.871 0.929 0.714 CB 1.608 Z: 22 53.039 2.304 1.129 0.894 0.952 0.476 CA 1.777 21 residues pruned to eliminate duplicates Z: 21 62.707 2.432 1.396 0.895 0.950 0.650 CA 1.816 20 residues pruned to eliminate duplicates Z: 16 25.615 2.221 0.618 0.882 0.867 0.667 CB 1.536 16 residues pruned to eliminate duplicates Z: 6 5.477 2.028 0.097 0.649 1.000 0.400 CA 0.958 Z: 20 67.312 2.551 1.219 0.935 1.000 0.842 CA 1.901 20 residues pruned to eliminate duplicates Z: 21 55.255 2.363 0.973 0.938 1.000 0.600 CB 1.843 21 residues pruned to eliminate duplicates Z: 14 29.096 2.469 0.410 0.875 0.923 0.538 CB 1.827 14 residues pruned to eliminate duplicates Z: 14 45.259 2.470 1.414 0.874 0.923 0.769 CA 1.660 14 residues pruned to eliminate duplicates Z: 19 68.873 2.593 1.208 0.945 1.000 0.556 CA 1.962 19 residues pruned to eliminate duplicates Z: 15 42.485 2.439 1.380 0.865 0.929 0.500 CA 1.543 15 residues pruned to eliminate duplicates Z: 23 31.734 2.238 0.954 0.895 0.773 0.500 CB 1.435 Z: 19 19.522 2.126 0.325 0.669 0.944 0.722 CB 1.480 Z: 22 47.390 2.301 0.882 0.908 0.952 0.619 CB 1.781 22 residues pruned to eliminate duplicates Z: 13 24.150 2.172 0.342 0.865 1.000 0.667 O 1.752 13 residues pruned to eliminate duplicates Z: 15 26.866 1.983 0.625 0.901 1.000 0.786 CB 1.590 15 residues pruned to eliminate duplicates Z: 21 42.829 2.327 0.666 0.931 0.950 0.850 CA 1.817 21 residues pruned to eliminate duplicates Z: 14 39.257 2.268 1.598 0.822 0.923 0.692 CA 1.515 14 residues pruned to eliminate duplicates Z: 16 40.640 2.319 1.244 0.819 0.933 0.733 CA 1.638 15 residues pruned to eliminate duplicates Z: 15 29.490 2.366 0.766 0.855 0.929 0.643 CA 1.499 15 residues pruned to eliminate duplicates Z: 18 20.062 2.003 0.536 0.691 0.882 0.765 CB 1.505 17 residues pruned to eliminate duplicates Z: 10 27.009 2.192 1.003 0.760 1.000 0.556 CA 1.628 10 residues pruned to eliminate duplicates Z: 19 58.268 2.462 1.099 0.939 1.000 0.889 CA 1.847 20 residues pruned to eliminate duplicates Z: 21 39.216 2.334 0.832 0.936 0.900 0.500 CB 1.588 22 residues pruned to eliminate duplicates Z: 12 17.747 2.178 0.347 0.817 0.818 0.727 O 1.694 12 residues pruned to eliminate duplicates Z: 23 32.961 2.185 0.876 0.920 0.909 0.545 CB 1.328 22 residues pruned to eliminate duplicates Z: 17 23.458 1.957 0.560 0.899 1.000 0.688 CB 1.373 16 residues pruned to eliminate duplicates Z: 15 23.519 2.024 0.499 0.883 1.000 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 17 22.383 2.139 0.517 0.727 0.938 0.750 CB 1.499 17 residues pruned to eliminate duplicates Z: 21 53.990 2.315 1.046 0.945 1.000 0.500 CB 1.764 21 residues pruned to eliminate duplicates Z: 20 58.046 2.438 1.006 0.945 1.000 0.789 CA 1.884 20 residues pruned to eliminate duplicates Z: 21 54.734 2.357 1.095 0.918 0.950 0.600 CA 1.840 21 residues pruned to eliminate duplicates Z: 23 31.509 2.234 0.964 0.896 0.818 0.455 CB 1.341 23 residues pruned to eliminate duplicates Z: 14 23.361 2.203 0.378 0.905 1.000 0.846 CA 1.519 Z: 24 41.264 2.200 1.003 0.883 1.000 0.478 CB 1.411 23 residues pruned to eliminate duplicates Z: 30 27.825 2.143 0.501 0.673 0.931 0.793 CB 1.471 20 residues pruned to eliminate duplicates Z: 21 49.317 2.432 0.781 0.929 1.000 0.900 CA 1.781 21 residues pruned to eliminate duplicates Z: 22 40.270 2.240 0.795 0.940 1.000 0.714 CA 1.518 22 residues pruned to eliminate duplicates Z: 17 24.984 2.146 0.732 0.832 0.812 0.500 CB 1.553 17 residues pruned to eliminate duplicates Z: 19 24.532 2.147 0.553 0.728 0.944 0.722 CB 1.495 19 residues pruned to eliminate duplicates Z: 21 41.405 2.295 0.807 0.906 1.000 0.650 CA 1.588 21 residues pruned to eliminate duplicates Z: 20 72.941 2.564 1.362 0.948 1.000 0.789 CA 1.909 20 residues pruned to eliminate duplicates Z: 14 21.689 2.164 0.212 0.809 1.000 0.462 CA 1.752 14 residues pruned to eliminate duplicates Z: 16 30.081 2.282 0.644 0.924 1.000 1.000 CA 1.454 16 residues pruned to eliminate duplicates Z: 7 8.960 1.878 0.325 0.879 1.000 0.500 CB 1.066 Z: 18 32.346 2.261 0.833 0.884 0.941 0.529 CB 1.453 18 residues pruned to eliminate duplicates Z: 19 47.152 2.346 0.983 0.924 0.944 0.833 CA 1.776 19 residues pruned to eliminate duplicates Z: 16 26.343 2.079 0.684 0.890 0.933 0.600 CB 1.497 16 residues pruned to eliminate duplicates Z: 20 57.312 2.385 1.185 0.933 0.947 0.684 CA 1.859 20 residues pruned to eliminate duplicates Z: 14 23.046 2.364 0.299 0.877 0.846 0.692 CA 1.787 14 residues pruned to eliminate duplicates Z: 21 26.651 2.198 0.383 0.924 0.950 0.850 CB 1.450 21 residues pruned to eliminate duplicates Z: 15 40.102 2.325 1.260 0.858 1.000 0.643 CA 1.501 15 residues pruned to eliminate duplicates Z: 14 52.317 2.443 1.689 0.925 0.923 0.846 CA 1.680 16 residues pruned to eliminate duplicates Z: 22 40.796 2.269 0.678 0.921 0.952 0.762 CA 1.727 22 residues pruned to eliminate duplicates Z: 19 15.745 1.931 0.406 0.795 0.889 0.500 CB 1.188 Z: 15 36.363 2.380 1.247 0.809 0.929 0.643 CA 1.495 15 residues pruned to eliminate duplicates Z: 19 21.025 1.982 0.497 0.744 0.944 0.722 CB 1.422 19 residues pruned to eliminate duplicates Z: 16 26.816 2.298 0.562 0.874 0.867 0.533 CB 1.620 18 residues pruned to eliminate duplicates Z: 14 25.445 2.157 0.564 0.867 1.000 0.923 CB 1.530 14 residues pruned to eliminate duplicates Z: 14 24.393 2.001 0.651 0.773 1.000 0.769 O 1.609 15 residues pruned to eliminate duplicates Z: 18 19.273 1.982 0.594 0.744 0.941 0.647 CB 1.264 19 residues pruned to eliminate duplicates Z: 21 36.906 2.275 0.444 0.926 1.000 0.950 CA 1.760 20 residues pruned to eliminate duplicates Z: 12 12.358 1.798 0.341 0.875 1.000 0.818 CB 1.124 Z: 14 31.486 2.239 0.852 0.872 1.000 0.769 CB 1.534 13 residues pruned to eliminate duplicates Z: 14 32.972 2.224 0.839 0.919 1.000 0.846 CB 1.576 14 residues pruned to eliminate duplicates Z: 13 14.511 1.728 0.478 0.896 1.000 0.833 CB 1.175 12 residues pruned to eliminate duplicates Z: 22 48.444 2.287 1.056 0.878 0.952 0.381 CB 1.713 22 residues pruned to eliminate duplicates Z: 16 37.878 2.341 1.075 0.824 1.000 0.600 CA 1.521 16 residues pruned to eliminate duplicates Z: 14 21.191 2.085 0.301 0.848 1.000 0.692 CB 1.607 Z: 14 23.840 2.124 0.495 0.812 1.000 0.769 CB 1.587 14 residues pruned to eliminate duplicates Z: 16 22.761 2.191 0.637 0.816 0.800 0.600 CB 1.556 16 residues pruned to eliminate duplicates Z: 21 41.539 2.175 1.158 0.871 0.950 0.500 CB 1.519 21 residues pruned to eliminate duplicates Z: 23 31.572 2.174 0.714 0.899 0.955 0.591 CB 1.353 23 residues pruned to eliminate duplicates Z: 23 34.427 2.240 0.475 0.949 1.000 0.864 CB 1.533 23 residues pruned to eliminate duplicates Z: 13 24.999 2.200 0.515 0.886 1.000 0.917 CB 1.562 13 residues pruned to eliminate duplicates Z: 14 18.845 2.043 0.300 0.829 1.000 0.692 CB 1.480 Z: 14 36.155 2.237 1.151 0.869 1.000 0.692 CB 1.522 15 residues pruned to eliminate duplicates Z: 13 24.995 2.145 0.546 0.879 0.917 0.750 CB 1.722 13 residues pruned to eliminate duplicates Z: 23 31.052 2.208 0.747 0.898 0.864 0.591 CB 1.421 23 residues pruned to eliminate duplicates Z: 9 16.451 2.066 0.496 0.856 0.875 0.750 CA 1.587 9 residues pruned to eliminate duplicates Z: 22 41.615 2.319 0.869 0.939 1.000 0.714 CB 1.456 22 residues pruned to eliminate duplicates Z: 14 17.519 1.913 0.344 0.855 0.923 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 13 13.746 2.040 0.258 0.788 0.833 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 12 12.292 1.671 0.650 0.820 0.909 0.727 CB 1.120 Z: 21 37.807 2.307 0.638 0.892 0.950 0.900 CB 1.691 21 residues pruned to eliminate duplicates Z: 15 37.818 2.328 1.445 0.870 0.857 0.500 CA 1.512 14 residues pruned to eliminate duplicates Z: 16 25.784 1.995 0.751 0.848 1.000 0.600 CB 1.414 17 residues pruned to eliminate duplicates Z: 10 13.560 1.843 0.327 0.919 1.000 1.000 CB 1.302 10 residues pruned to eliminate duplicates Z: 18 33.060 2.132 0.812 0.848 0.941 0.647 CB 1.636 16 residues pruned to eliminate duplicates Z: 14 22.013 2.110 0.393 0.847 0.923 0.769 CB 1.671 14 residues pruned to eliminate duplicates Z: 14 24.948 2.160 0.620 0.896 0.923 0.385 CB 1.535 14 residues pruned to eliminate duplicates Z: 15 32.756 2.164 1.156 0.901 0.929 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 10 15.706 2.053 0.497 0.653 1.000 0.444 CB 1.477 10 residues pruned to eliminate duplicates Z: 15 31.893 2.167 1.040 0.856 1.000 0.714 CB 1.422 15 residues pruned to eliminate duplicates Z: 14 23.756 2.194 0.236 0.837 1.000 0.615 CA 1.817 14 residues pruned to eliminate duplicates Z: 15 31.725 2.198 0.932 0.870 1.000 0.786 CA 1.457 15 residues pruned to eliminate duplicates Z: 22 35.502 2.155 0.869 0.911 0.952 0.810 CB 1.431 22 residues pruned to eliminate duplicates Z: 13 22.780 2.244 0.331 0.846 0.917 0.500 CB 1.784 13 residues pruned to eliminate duplicates Z: 21 46.964 2.331 0.821 0.936 0.950 0.400 CB 1.813 21 residues pruned to eliminate duplicates Z: 14 16.562 2.075 0.508 0.659 0.923 0.692 CB 1.372 Z: 21 29.754 1.995 0.828 0.933 0.950 0.650 CB 1.340 Z: 17 31.394 2.224 0.487 0.846 1.000 0.812 CB 1.764 17 residues pruned to eliminate duplicates Z: 14 19.097 2.056 0.268 0.845 1.000 0.846 CA 1.510 14 residues pruned to eliminate duplicates Z: 15 13.435 2.035 0.463 0.635 0.786 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 14 16.444 2.034 0.333 0.764 0.923 0.538 CB 1.441 14 residues pruned to eliminate duplicates Z: 13 12.316 1.845 0.278 0.790 1.000 0.667 CB 1.169 Z: 21 44.183 2.299 1.147 0.960 0.950 0.250 CB 1.443 21 residues pruned to eliminate duplicates Z: 15 30.438 2.167 1.054 0.901 0.929 0.714 CB 1.405 15 residues pruned to eliminate duplicates Z: 19 17.493 1.954 0.447 0.808 0.833 0.556 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 14.818 1.761 0.541 0.886 1.000 0.750 CB 1.137 13 residues pruned to eliminate duplicates Z: 12 19.346 2.255 0.170 0.813 0.909 0.818 O 1.854 12 residues pruned to eliminate duplicates Z: 12 16.276 2.030 0.348 0.762 1.000 0.636 CB 1.421 12 residues pruned to eliminate duplicates Z: 17 23.987 1.942 0.658 0.792 1.000 0.562 CB 1.441 17 residues pruned to eliminate duplicates Z: 13 30.846 2.195 0.943 0.879 1.000 0.750 CB 1.514 13 residues pruned to eliminate duplicates Z: 11 16.291 2.132 0.317 0.766 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 14 29.571 2.085 0.897 0.903 1.000 0.462 CB 1.477 16 residues pruned to eliminate duplicates Z: 13 13.156 1.711 0.161 0.909 1.000 0.917 CB 1.357 10 residues pruned to eliminate duplicates Z: 76 81.996 2.443 0.861 0.698 0.960 0.667 CB 1.811 72 residues pruned to eliminate duplicates Z: 22 27.359 1.900 0.716 0.946 0.952 0.619 CB 1.330 22 residues pruned to eliminate duplicates Z: 13 14.392 1.700 0.459 0.907 1.000 0.750 CB 1.190 Z: 57 40.023 2.132 0.627 0.612 0.911 0.589 CB 1.523 55 residues pruned to eliminate duplicates Z: 18 20.919 1.977 0.415 0.820 1.000 0.647 CB 1.375 18 residues pruned to eliminate duplicates Z: 14 24.736 2.073 0.479 0.893 1.000 0.462 CB 1.606 14 residues pruned to eliminate duplicates Z: 21 36.543 2.009 1.008 0.958 1.000 0.800 CB 1.389 21 residues pruned to eliminate duplicates Z: 14 17.604 1.972 0.455 0.806 1.000 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 12 12.351 1.777 0.367 0.929 1.000 0.909 CB 1.073 12 residues pruned to eliminate duplicates Z: 14 29.735 2.104 1.111 0.908 1.000 0.846 CB 1.319 14 residues pruned to eliminate duplicates Z: 11 13.537 1.874 0.096 0.925 1.000 1.000 CB 1.462 11 residues pruned to eliminate duplicates Z: 12 21.515 1.826 0.923 0.904 1.000 0.545 CB 1.315 13 residues pruned to eliminate duplicates Z: 15 15.672 1.913 0.475 0.789 1.000 0.571 CB 1.152 14 residues pruned to eliminate duplicates Z: 10 21.618 2.120 0.499 0.916 1.000 0.889 CB 1.601 10 residues pruned to eliminate duplicates Z: 19 21.931 1.954 0.573 0.841 0.944 0.667 CB 1.328 19 residues pruned to eliminate duplicates Z: 11 17.799 1.840 0.611 0.900 1.000 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 12 19.067 1.832 0.572 0.877 1.000 0.455 CB 1.449 12 residues pruned to eliminate duplicates Z: 18 16.220 1.898 0.250 0.849 0.941 0.706 CB 1.306 18 residues pruned to eliminate duplicates Z: 11 16.700 1.836 0.459 0.921 1.000 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 24 39.522 2.426 0.931 0.547 0.957 0.522 CA 1.757 24 residues pruned to eliminate duplicates Z: 14 21.548 2.142 0.312 0.896 0.923 0.846 CB 1.649 13 residues pruned to eliminate duplicates Z: 22 29.775 1.918 0.969 0.933 0.905 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 16 37.331 2.243 1.283 0.882 0.933 0.867 CA 1.459 16 residues pruned to eliminate duplicates Z: 18 23.498 2.174 1.030 0.838 0.765 0.353 CB 1.262 18 residues pruned to eliminate duplicates Z: 19 16.191 1.929 0.169 0.934 0.944 0.889 CB 1.249 19 residues pruned to eliminate duplicates Z: 14 19.830 2.051 0.445 0.825 1.000 0.615 CB 1.401 14 residues pruned to eliminate duplicates Z: 20 17.966 1.887 0.383 0.904 1.000 0.947 CB 1.125 20 residues pruned to eliminate duplicates Z: 20 64.969 2.467 1.219 0.941 1.000 0.895 CA 1.890 20 residues pruned to eliminate duplicates Z: 16 15.766 2.111 0.409 0.771 0.800 0.533 CB 1.345 16 residues pruned to eliminate duplicates Z: 21 36.481 2.279 1.107 0.635 0.900 0.800 CB 1.662 21 residues pruned to eliminate duplicates Z: 21 23.893 2.070 0.733 0.645 0.950 0.700 CB 1.369 21 residues pruned to eliminate duplicates Z: 9 27.570 2.416 0.755 0.820 1.000 0.625 CB 1.743 9 residues pruned to eliminate duplicates Z: 12 17.630 2.010 0.435 0.876 0.909 0.636 CB 1.473 12 residues pruned to eliminate duplicates Z: 16 25.851 2.273 0.437 0.858 0.933 0.667 CB 1.613 16 residues pruned to eliminate duplicates Z: 11 17.773 1.880 0.548 0.907 1.000 0.900 CB 1.373 11 residues pruned to eliminate duplicates Z: 15 22.466 1.969 0.785 0.906 0.929 0.786 CB 1.308 15 residues pruned to eliminate duplicates Z: 15 21.052 1.985 0.438 0.806 1.000 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 13 34.941 2.295 0.998 0.892 1.000 0.667 CB 1.580 13 residues pruned to eliminate duplicates Z: 12 19.115 1.801 0.737 0.927 1.000 0.545 CB 1.291 12 residues pruned to eliminate duplicates Z: 11 12.495 1.979 0.453 0.837 0.900 0.500 CB 1.143 11 residues pruned to eliminate duplicates Z: 11 16.168 1.853 0.395 0.903 1.000 0.900 CB 1.410 13 residues pruned to eliminate duplicates Z: 15 31.198 2.377 0.966 0.850 0.857 0.714 CA 1.541 15 residues pruned to eliminate duplicates Z: 15 33.775 2.145 1.142 0.912 0.929 0.714 CB 1.498 15 residues pruned to eliminate duplicates Z: 30 27.884 2.159 0.444 0.651 0.931 0.690 CB 1.551 30 residues pruned to eliminate duplicates Z: 27 18.655 1.980 0.577 0.556 0.885 0.615 CB 1.253 27 residues pruned to eliminate duplicates Z: 18 14.922 2.052 0.441 0.619 0.765 0.706 CB 1.430 18 residues pruned to eliminate duplicates Z: 23 36.134 2.198 1.125 0.917 0.864 0.318 CB 1.347 23 residues pruned to eliminate duplicates Z: 12 10.483 1.779 0.075 0.920 1.000 0.909 CB 1.164 12 residues pruned to eliminate duplicates Z: 20 24.505 1.976 0.809 0.911 0.947 0.632 CB 1.177 20 residues pruned to eliminate duplicates Z: 14 21.864 2.054 0.465 0.853 1.000 1.000 CA 1.489 15 residues pruned to eliminate duplicates Z: 13 21.341 1.992 0.752 0.879 0.917 0.917 CA 1.396 13 residues pruned to eliminate duplicates Z: 21 25.617 2.179 0.489 0.736 0.850 0.600 CB 1.681 21 residues pruned to eliminate duplicates Z: 15 25.286 2.025 0.724 0.880 1.000 0.571 CB 1.403 15 residues pruned to eliminate duplicates Z: 11 17.808 1.894 0.694 0.896 1.000 0.800 CB 1.257 11 residues pruned to eliminate duplicates Z: 18 17.647 1.982 0.282 0.810 1.000 0.647 CB 1.286 18 residues pruned to eliminate duplicates Z: 11 16.665 2.101 0.457 0.782 0.900 0.500 CA 1.492 11 residues pruned to eliminate duplicates Z: 23 26.509 2.207 0.691 0.894 0.818 0.636 CB 1.327 23 residues pruned to eliminate duplicates Z: 14 25.449 2.129 0.539 0.829 1.000 0.923 CA 1.622 14 residues pruned to eliminate duplicates Z: 76 87.549 2.437 0.981 0.719 0.947 0.520 CB 1.814 77 residues pruned to eliminate duplicates Z: 18 19.478 1.989 0.304 0.782 1.000 0.588 CB 1.421 18 residues pruned to eliminate duplicates Z: 18 45.091 2.380 1.277 0.676 1.000 0.647 CA 1.717 18 residues pruned to eliminate duplicates Z: 12 16.121 1.783 0.648 0.846 1.000 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 21 51.360 2.357 1.098 0.914 0.950 0.950 CA 1.729 21 residues pruned to eliminate duplicates Z: 50 68.085 2.446 0.852 0.781 0.939 0.551 CB 1.786 50 residues pruned to eliminate duplicates Z: 15 19.627 1.972 0.837 0.863 0.857 0.643 CB 1.239 15 residues pruned to eliminate duplicates Z: 49 58.746 2.254 0.938 0.800 0.938 0.688 CB 1.593 49 residues pruned to eliminate duplicates Z: 38 41.076 2.125 0.887 0.796 0.973 0.568 CB 1.336 39 residues pruned to eliminate duplicates Z: 16 31.328 2.083 0.697 0.926 1.000 0.800 CA 1.605 16 residues pruned to eliminate duplicates Z: 19 17.002 1.984 0.505 0.710 0.833 0.500 CB 1.332 19 residues pruned to eliminate duplicates Z: 14 27.819 2.224 0.712 0.876 0.923 0.769 CB 1.596 14 residues pruned to eliminate duplicates Z: 18 26.328 2.203 0.572 0.660 1.000 0.706 CB 1.589 18 residues pruned to eliminate duplicates Z: 22 21.770 1.881 0.395 0.922 1.000 0.810 CB 1.273 22 residues pruned to eliminate duplicates Z: 21 23.346 1.901 0.529 0.920 1.000 0.900 CB 1.265 21 residues pruned to eliminate duplicates Z: 21 35.192 2.285 1.046 0.592 0.900 0.600 CB 1.713 21 residues pruned to eliminate duplicates Z: 54 76.116 2.427 0.852 0.770 0.981 0.698 CA 1.866 53 residues pruned to eliminate duplicates Z: 53 71.475 2.447 0.778 0.764 0.962 0.731 CB 1.874 53 residues pruned to eliminate duplicates Z: 23 28.348 2.197 0.400 0.909 1.000 0.955 CB 1.395 23 residues pruned to eliminate duplicates Z: 22 29.324 1.911 0.971 0.929 0.952 0.381 CB 1.248 22 residues pruned to eliminate duplicates Z: 23 36.517 2.219 0.787 0.891 1.000 0.727 CB 1.411 23 residues pruned to eliminate duplicates Z: 13 12.302 1.753 0.206 0.864 1.000 0.667 CB 1.231 13 residues pruned to eliminate duplicates Z: 18 19.312 2.085 0.548 0.696 0.824 0.647 CB 1.473 18 residues pruned to eliminate duplicates Z: 21 36.744 2.416 0.850 0.634 0.950 0.750 CB 1.706 21 residues pruned to eliminate duplicates Z: 22 45.647 2.212 0.854 0.934 1.000 0.857 CA 1.694 22 residues pruned to eliminate duplicates Z: 13 17.856 2.117 0.360 0.786 1.000 0.583 CB 1.392 13 residues pruned to eliminate duplicates Z: 18 16.732 1.999 0.352 0.786 0.941 0.706 CB 1.241 18 residues pruned to eliminate duplicates Z: 19 17.797 1.949 0.703 0.740 0.889 0.611 CB 1.147 19 residues pruned to eliminate duplicates Z: 12 16.408 1.821 0.598 0.901 0.909 0.818 CB 1.334 12 residues pruned to eliminate duplicates Z: 23 31.236 2.156 0.561 0.902 1.000 0.909 CB 1.411 23 residues pruned to eliminate duplicates Z: 12 10.744 1.753 0.282 0.852 1.000 0.636 CB 1.067 12 residues pruned to eliminate duplicates Z: 22 28.641 1.950 0.972 0.938 0.905 0.619 CB 1.249 21 residues pruned to eliminate duplicates Z: 14 40.289 2.381 0.852 0.868 1.000 0.692 CA 1.852 15 residues pruned to eliminate duplicates Z: 15 21.587 1.989 0.801 0.822 0.857 0.571 CB 1.422 15 residues pruned to eliminate duplicates Z: 51 60.270 2.367 0.895 0.695 0.880 0.680 CA 1.808 51 residues pruned to eliminate duplicates Z: 18 21.256 2.153 0.413 0.699 0.941 0.647 CB 1.502 18 residues pruned to eliminate duplicates Z: 12 18.029 1.750 0.535 0.904 1.000 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 21 20.445 1.904 0.361 0.938 1.000 0.900 CB 1.227 21 residues pruned to eliminate duplicates Z: 75 85.450 2.440 0.916 0.709 0.946 0.676 CB 1.858 75 residues pruned to eliminate duplicates Z: 13 15.221 2.039 0.384 0.776 0.917 0.750 CB 1.332 13 residues pruned to eliminate duplicates Z: 11 11.219 1.703 0.495 0.848 0.900 0.700 CB 1.148 11 residues pruned to eliminate duplicates Z: 19 20.650 1.966 0.691 0.759 0.889 0.444 CB 1.308 19 residues pruned to eliminate duplicates Z: 11 16.952 1.879 0.568 0.903 0.900 0.700 CB 1.441 11 residues pruned to eliminate duplicates Z: 11 11.710 1.751 0.255 0.920 1.000 1.000 CB 1.187 Z: 19 20.201 1.942 0.554 0.756 0.944 0.500 CB 1.331 19 residues pruned to eliminate duplicates Z: 18 12.612 1.822 0.357 0.783 0.882 0.647 CB 1.093 18 residues pruned to eliminate duplicates Z: 15 34.674 2.395 1.057 0.888 0.929 0.857 CA 1.459 15 residues pruned to eliminate duplicates Z: 12 13.948 1.842 0.500 0.828 0.909 0.727 CB 1.261 12 residues pruned to eliminate duplicates Z: 18 16.301 1.979 0.578 0.645 0.882 0.529 CB 1.253 18 residues pruned to eliminate duplicates Z: 11 9.578 1.672 0.481 0.722 0.800 0.600 CB 1.251 11 residues pruned to eliminate duplicates Z: 13 16.107 2.054 0.387 0.761 0.917 0.500 CB 1.411 13 residues pruned to eliminate duplicates Z: 21 54.773 2.370 1.155 0.904 0.950 0.500 CB 1.798 21 residues pruned to eliminate duplicates Z: 11 10.399 1.717 0.245 0.916 1.000 0.900 CB 1.087 11 residues pruned to eliminate duplicates Z: 15 21.155 2.148 0.421 0.883 0.857 0.857 CB 1.561 15 residues pruned to eliminate duplicates Z: 20 70.001 2.495 1.538 0.958 0.947 0.368 CB 1.837 20 residues pruned to eliminate duplicates Z: 19 20.500 2.112 0.518 0.687 0.833 0.611 CB 1.524 19 residues pruned to eliminate duplicates Z: 14 26.567 1.972 1.152 0.943 1.000 0.769 CB 1.203 14 residues pruned to eliminate duplicates Z: 9 11.416 1.875 0.318 0.844 1.000 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 12 14.060 1.777 0.530 0.826 0.909 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 75 81.240 2.428 0.946 0.711 0.919 0.649 CB 1.796 75 residues pruned to eliminate duplicates Z: 16 16.363 2.066 0.447 0.747 0.867 0.667 CB 1.308 16 residues pruned to eliminate duplicates Z: 22 43.897 2.275 0.870 0.925 0.905 0.571 CB 1.746 22 residues pruned to eliminate duplicates Z: 14 10.460 1.997 0.106 0.863 0.923 0.692 CB 1.044 14 residues pruned to eliminate duplicates Z: 23 30.073 2.223 0.620 0.899 0.909 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 16 11.427 1.869 0.417 0.746 0.800 0.600 CB 1.118 16 residues pruned to eliminate duplicates Z: 19 19.245 1.951 0.379 0.924 1.000 0.833 CB 1.184 19 residues pruned to eliminate duplicates Z: 24 29.837 2.128 0.792 0.868 0.913 0.522 CB 1.306 24 residues pruned to eliminate duplicates Z: 7 2.638 1.658 0.058 0.739 0.500 0.500 CB 0.991 7 residues pruned to eliminate duplicates Z: 21 37.266 1.987 1.174 0.954 1.000 0.350 CB 1.327 22 residues pruned to eliminate duplicates Z: 7 6.387 1.742 -0.070 0.826 1.000 0.833 CB 1.214 7 residues pruned to eliminate duplicates Z: 23 29.887 2.202 0.368 0.939 1.000 0.864 CA 1.469 23 residues pruned to eliminate duplicates Z: 13 11.280 1.698 0.107 0.927 1.000 0.833 CB 1.213 13 residues pruned to eliminate duplicates Z: 10 10.929 1.851 0.364 0.872 0.889 0.556 CB 1.183 10 residues pruned to eliminate duplicates Z: 15 12.096 1.915 0.257 0.674 0.857 0.786 CB 1.335 15 residues pruned to eliminate duplicates Z: 22 16.488 1.870 0.373 0.632 0.952 0.714 CB 1.300 14 residues pruned to eliminate duplicates Z: 21 26.310 1.952 0.686 0.941 1.000 0.900 CB 1.240 21 residues pruned to eliminate duplicates Z: 10 17.644 1.876 0.742 0.910 0.889 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 72 82.408 2.435 1.002 0.661 0.930 0.704 CA 1.858 72 residues pruned to eliminate duplicates Z: 12 8.046 1.701 0.185 0.909 0.909 0.727 CB 0.940 11 residues pruned to eliminate duplicates 6 1.262 1.422 -0.353 0.369 0.800 0.400 CB 0.883 ? Z: 22 21.636 1.896 0.449 0.925 0.952 0.857 CB 1.266 22 residues pruned to eliminate duplicates Z: 13 15.738 1.974 0.320 0.765 1.000 0.583 CB 1.378 13 residues pruned to eliminate duplicates Z: 13 21.654 1.996 0.578 0.805 1.000 0.583 CB 1.520 13 residues pruned to eliminate duplicates Z: 10 14.573 1.774 0.549 0.922 1.000 0.667 CB 1.243 11 residues pruned to eliminate duplicates Z: 14 11.649 2.031 0.358 0.619 0.769 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 13 13.564 1.697 0.302 0.915 1.000 0.750 CB 1.252 13 residues pruned to eliminate duplicates Z: 18 18.040 1.940 0.381 0.804 0.941 0.706 CB 1.330 18 residues pruned to eliminate duplicates Z: 12 13.534 1.797 0.429 0.882 1.000 0.818 CB 1.150 12 residues pruned to eliminate duplicates Z: 17 9.106 1.817 0.186 0.682 0.812 0.688 CB 1.100 17 residues pruned to eliminate duplicates Z: 11 17.475 1.802 0.717 0.890 1.000 0.700 CB 1.284 11 residues pruned to eliminate duplicates Z: 12 10.446 1.682 0.822 0.858 0.818 0.727 CB 0.925 12 residues pruned to eliminate duplicates Z: 6 12.624 2.112 0.379 0.724 1.000 0.600 CA 1.583 6 residues pruned to eliminate duplicates Z: 42 49.104 2.373 0.458 0.785 0.976 0.732 CA 1.769 42 residues pruned to eliminate duplicates Z: 12 14.496 1.738 0.488 0.931 1.000 0.818 CB 1.181 11 residues pruned to eliminate duplicates Z: 11 11.470 1.659 0.287 0.878 1.000 0.700 CB 1.233 11 residues pruned to eliminate duplicates Z: 17 19.331 1.973 0.413 0.826 0.938 0.750 CB 1.395 18 residues pruned to eliminate duplicates Z: 97 65.200 2.239 0.742 0.641 0.927 0.646 CB 1.613 97 residues pruned to eliminate duplicates Z: 13 15.434 1.846 0.409 0.848 1.000 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 11 15.390 1.848 0.293 0.900 1.000 0.900 CB 1.455 11 residues pruned to eliminate duplicates Z: 12 13.408 1.735 0.608 0.882 0.909 0.636 CB 1.154 12 residues pruned to eliminate duplicates Z: 17 15.029 1.977 0.185 0.833 0.938 0.750 CB 1.284 17 residues pruned to eliminate duplicates Z: 11 13.695 1.889 0.308 0.807 1.000 0.900 CB 1.340 11 residues pruned to eliminate duplicates Z: 13 16.477 1.755 0.692 0.899 1.000 0.667 CB 1.145 13 residues pruned to eliminate duplicates Z: 58 45.030 2.139 0.683 0.720 0.930 0.579 CB 1.460 58 residues pruned to eliminate duplicates Z: 11 12.193 1.771 1.062 0.471 0.800 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 22 33.512 1.935 1.120 0.947 0.905 0.429 CB 1.362 22 residues pruned to eliminate duplicates Z: 10 14.602 1.869 0.484 0.895 0.889 0.889 CB 1.415 10 residues pruned to eliminate duplicates Z: 11 12.235 1.677 0.341 0.923 1.000 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 11 13.555 1.742 0.693 0.927 0.900 0.600 CB 1.132 11 residues pruned to eliminate duplicates Z: 18 14.742 1.769 0.449 0.787 0.882 0.706 CB 1.228 17 residues pruned to eliminate duplicates Z: 13 19.648 2.030 0.439 0.837 1.000 0.750 CA 1.453 13 residues pruned to eliminate duplicates Z: 18 20.164 2.083 0.654 0.715 0.882 0.706 CB 1.325 18 residues pruned to eliminate duplicates Z: 76 85.513 2.426 0.957 0.703 0.933 0.693 CA 1.853 76 residues pruned to eliminate duplicates Z: 10 13.246 1.837 0.766 0.831 1.000 0.778 CB 1.023 11 residues pruned to eliminate duplicates Z: 12 8.662 1.835 0.716 0.409 0.909 0.545 CB 1.004 12 residues pruned to eliminate duplicates Z: 17 25.613 1.956 0.815 0.893 0.875 0.812 CA 1.480 17 residues pruned to eliminate duplicates Z: 11 13.732 1.791 0.376 0.862 0.900 0.800 CB 1.437 11 residues pruned to eliminate duplicates Z: 13 16.879 1.968 0.438 0.786 1.000 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 6 2.974 1.615 0.209 0.555 0.800 0.600 CB 0.807 Z: 88 61.026 2.257 0.713 0.634 0.908 0.621 CB 1.644 88 residues pruned to eliminate duplicates Z: 52 38.675 2.186 0.831 0.527 0.863 0.608 CB 1.527 52 residues pruned to eliminate duplicates Z: 10 13.408 1.772 0.361 0.910 1.000 1.000 CB 1.313 10 residues pruned to eliminate duplicates Z: 29 19.255 1.896 0.676 0.614 0.857 0.429 CB 1.199 28 residues pruned to eliminate duplicates Z: 11 12.177 1.728 0.169 0.891 1.000 0.900 CB 1.371 11 residues pruned to eliminate duplicates Z: 13 28.213 2.119 0.574 0.887 1.000 0.667 CA 1.760 13 residues pruned to eliminate duplicates Z: 24 35.442 2.247 1.068 0.757 0.826 0.348 CB 1.531 24 residues pruned to eliminate duplicates Z: 6 2.533 1.876 0.688 0.431 0.600 0.600 CB 0.640 6 residues pruned to eliminate duplicates Z: 17 19.957 1.982 0.526 0.835 0.938 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 13 10.893 1.944 0.108 0.804 1.000 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 18 8.514 1.649 0.344 0.552 0.824 0.471 CB 1.076 16 residues pruned to eliminate duplicates Z: 15 24.773 2.086 0.486 0.886 1.000 0.643 CA 1.541 15 residues pruned to eliminate duplicates Z: 12 13.122 1.703 0.581 0.911 0.909 0.636 CB 1.145 12 residues pruned to eliminate duplicates Z: 71 84.502 2.448 0.970 0.704 0.929 0.586 CA 1.873 71 residues pruned to eliminate duplicates Z: 33 25.398 2.065 0.663 0.659 0.875 0.719 CB 1.290 28 residues pruned to eliminate duplicates Z: 13 13.952 1.701 0.482 0.912 1.000 0.833 CB 1.132 13 residues pruned to eliminate duplicates Z: 11 10.866 1.702 0.588 0.836 0.900 0.700 CB 1.058 11 residues pruned to eliminate duplicates Z: 49 74.542 2.429 1.019 0.706 0.979 0.708 CB 1.858 49 residues pruned to eliminate duplicates Z: 15 14.764 1.876 0.352 0.792 0.929 0.643 CB 1.297 15 residues pruned to eliminate duplicates Z: 21 21.153 1.847 0.515 0.895 0.950 0.650 CB 1.275 21 residues pruned to eliminate duplicates Z: 21 33.628 1.961 0.960 0.956 1.000 0.650 CB 1.343 21 residues pruned to eliminate duplicates Z: 50 49.485 2.117 0.804 0.789 0.980 0.510 CB 1.465 49 residues pruned to eliminate duplicates Z: 6 3.511 1.339 0.642 0.429 1.000 0.800 C 0.769 Z: 20 29.931 2.035 0.756 0.947 1.000 0.632 CB 1.328 20 residues pruned to eliminate duplicates Z: 13 15.549 1.707 0.717 0.890 1.000 0.500 CB 1.102 15 residues pruned to eliminate duplicates Z: 47 56.734 2.249 0.887 0.813 0.957 0.478 CB 1.569 47 residues pruned to eliminate duplicates Z: 48 54.368 2.399 0.811 0.622 0.872 0.723 CB 1.866 48 residues pruned to eliminate duplicates Z: 60 68.629 2.399 0.783 0.713 0.932 0.729 CB 1.848 60 residues pruned to eliminate duplicates Z: 11 10.975 1.749 0.329 0.904 1.000 1.000 CB 1.064 11 residues pruned to eliminate duplicates Z: 18 14.668 1.851 0.422 0.786 0.882 0.588 CB 1.191 18 residues pruned to eliminate duplicates Z: 49 65.831 2.396 0.965 0.685 0.896 0.729 CB 1.902 49 residues pruned to eliminate duplicates Z: 12 12.114 1.793 0.200 0.875 1.000 0.909 CB 1.235 12 residues pruned to eliminate duplicates Z: 9 11.492 1.764 0.590 0.851 1.000 0.625 CB 1.072 9 residues pruned to eliminate duplicates Z: 17 28.060 2.412 0.568 0.609 0.875 0.625 CA 1.911 17 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 7.455 1.643 0.342 0.779 1.000 0.429 CB 1.000 8 residues pruned to eliminate duplicates Z: 43 19.940 1.951 0.384 0.630 0.881 0.500 CB 1.145 40 residues pruned to eliminate duplicates Z: 7 11.322 1.856 0.492 0.868 1.000 1.000 CB 1.220 7 residues pruned to eliminate duplicates Z: 12 5.595 1.559 0.416 0.507 0.818 0.455 CB 0.927 12 residues pruned to eliminate duplicates Z: 19 20.781 2.168 0.593 0.677 0.833 0.722 CB 1.447 19 residues pruned to eliminate duplicates Z: 21 20.568 2.037 0.439 0.702 0.950 0.800 CB 1.374 21 residues pruned to eliminate duplicates Z: 37 25.051 2.048 0.544 0.626 0.917 0.639 CB 1.280 37 residues pruned to eliminate duplicates Z: 89 39.253 1.981 0.502 0.646 0.966 0.682 CB 1.270 94 residues pruned to eliminate duplicates Z: 14 31.839 2.224 1.013 0.909 1.000 0.923 CB 1.400 14 residues pruned to eliminate duplicates Z: 58 32.599 2.033 0.601 0.630 0.982 0.579 CB 1.195 58 residues pruned to eliminate duplicates Z: 24 20.422 1.935 0.727 0.578 0.913 0.478 CB 1.295 24 residues pruned to eliminate duplicates Z: 25 21.558 1.959 0.814 0.565 0.917 0.417 CB 1.269 20 residues pruned to eliminate duplicates Z: 14 32.005 2.199 1.093 0.870 0.923 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 46 29.873 2.004 0.611 0.637 0.978 0.667 CB 1.241 46 residues pruned to eliminate duplicates Z: 19 25.124 2.119 0.771 0.656 0.944 0.556 CB 1.446 19 residues pruned to eliminate duplicates Z: 39 23.116 1.949 0.656 0.564 0.895 0.605 CB 1.222 39 residues pruned to eliminate duplicates Z: 8 14.703 2.070 0.599 0.815 1.000 0.429 CA 1.276 8 residues pruned to eliminate duplicates Z: 18 27.219 2.155 1.024 0.743 0.882 0.647 CB 1.379 18 residues pruned to eliminate duplicates Z: 95 37.675 1.919 0.623 0.636 0.904 0.628 CB 1.215 95 residues pruned to eliminate duplicates Z: 32 27.914 1.930 0.544 0.847 0.968 0.742 CB 1.290 32 residues pruned to eliminate duplicates Z: 33 29.172 1.927 0.558 0.831 1.000 0.781 CB 1.290 32 residues pruned to eliminate duplicates Z: 11 11.119 1.778 0.528 0.824 0.900 0.800 CB 1.086 11 residues pruned to eliminate duplicates Z: 10 14.596 1.854 0.601 0.855 1.000 0.778 CB 1.210 10 residues pruned to eliminate duplicates Z: 10 10.860 1.811 0.561 0.798 0.778 0.667 CB 1.268 10 residues pruned to eliminate duplicates Z: 24 21.042 1.898 0.640 0.716 0.957 0.696 CB 1.212 25 residues pruned to eliminate duplicates Z: 11 15.237 1.808 0.739 0.912 1.000 0.900 CB 1.085 10 residues pruned to eliminate duplicates Z: 16 15.626 1.999 0.509 0.616 0.933 0.467 CB 1.284 16 residues pruned to eliminate duplicates Z: 27 20.054 1.896 0.579 0.683 0.962 0.500 CB 1.156 27 residues pruned to eliminate duplicates Z: 19 13.826 1.892 0.485 0.527 0.889 0.389 CB 1.270 19 residues pruned to eliminate duplicates Z: 51 31.879 1.872 0.751 0.693 0.900 0.420 CB 1.281 49 residues pruned to eliminate duplicates Z: 11 15.327 2.052 0.632 0.704 0.900 0.300 CB 1.336 11 residues pruned to eliminate duplicates Z: 60 33.898 1.894 0.686 0.710 0.898 0.492 CB 1.271 60 residues pruned to eliminate duplicates Z: 50 31.198 1.893 0.707 0.740 0.918 0.469 CB 1.211 50 residues pruned to eliminate duplicates Z: 19 16.771 1.938 0.563 0.518 0.944 0.556 CB 1.358 19 residues pruned to eliminate duplicates Z: 20 14.560 1.907 0.493 0.510 0.947 0.474 CB 1.226 20 residues pruned to eliminate duplicates Z: 19 14.563 1.937 0.450 0.544 0.889 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 20 14.830 1.877 0.431 0.549 0.895 0.526 CB 1.350 20 residues pruned to eliminate duplicates Z: 18 14.946 1.843 0.443 0.623 0.941 0.706 CB 1.289 18 residues pruned to eliminate duplicates Z: 29 19.923 1.841 0.558 0.659 0.929 0.500 CB 1.219 29 residues pruned to eliminate duplicates Z: 27 20.049 1.901 0.432 0.677 0.962 0.692 CB 1.275 27 residues pruned to eliminate duplicates Z: 43 30.900 1.971 0.522 0.740 0.976 0.714 CB 1.313 43 residues pruned to eliminate duplicates Z: 28 14.693 1.829 0.425 0.649 0.852 0.481 CB 1.108 28 residues pruned to eliminate duplicates Z: 25 21.003 1.919 0.500 0.764 1.000 0.750 CB 1.178 25 residues pruned to eliminate duplicates Z: 27 17.743 1.865 0.369 0.672 0.923 0.846 CB 1.260 27 residues pruned to eliminate duplicates Z: 29 20.409 1.843 0.408 0.673 1.000 0.643 CB 1.267 29 residues pruned to eliminate duplicates Z: 31 21.772 1.858 0.499 0.696 0.967 0.667 CB 1.235 31 residues pruned to eliminate duplicates Z: 28 20.811 1.866 0.564 0.692 0.926 0.778 CB 1.243 28 residues pruned to eliminate duplicates Z: 30 22.934 1.847 0.603 0.745 0.966 0.724 CB 1.196 30 residues pruned to eliminate duplicates Z: 65 34.598 1.847 0.660 0.696 0.938 0.594 CB 1.258 65 residues pruned to eliminate duplicates Z: 53 31.571 1.884 0.706 0.631 0.962 0.654 CB 1.253 53 residues pruned to eliminate duplicates Z: 34 21.642 1.792 0.508 0.625 1.000 0.667 CB 1.239 34 residues pruned to eliminate duplicates Z: 34 22.480 1.791 0.675 0.690 0.939 0.667 CB 1.167 34 residues pruned to eliminate duplicates Z: 29 23.306 1.866 0.638 0.749 0.964 0.571 CB 1.196 29 residues pruned to eliminate duplicates Z: 32 29.825 1.941 0.659 0.836 0.968 0.774 CB 1.287 32 residues pruned to eliminate duplicates Z: 33 26.971 1.903 0.522 0.837 0.969 0.719 CB 1.270 33 residues pruned to eliminate duplicates Z: 32 27.834 1.940 0.596 0.813 0.968 0.742 CB 1.271 32 residues pruned to eliminate duplicates Z: 34 30.602 1.908 0.774 0.821 1.000 0.667 CB 1.191 34 residues pruned to eliminate duplicates Z: 33 33.577 1.935 0.790 0.837 1.000 0.594 CB 1.282 33 residues pruned to eliminate duplicates Z: 34 29.241 1.914 0.694 0.825 0.970 0.606 CB 1.222 34 residues pruned to eliminate duplicates Z: 32 33.074 1.950 0.794 0.844 0.968 0.581 CB 1.305 32 residues pruned to eliminate duplicates Z: 32 35.018 1.949 0.873 0.842 1.000 0.742 CB 1.284 32 residues pruned to eliminate duplicates Z: 33 31.460 1.912 0.803 0.821 0.969 0.625 CB 1.260 33 residues pruned to eliminate duplicates Z: 33 32.627 1.938 0.732 0.847 1.000 0.562 CB 1.276 33 residues pruned to eliminate duplicates Z: 17 20.338 1.885 0.902 0.844 0.938 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 32 33.436 1.963 0.794 0.848 1.000 0.613 CB 1.265 32 residues pruned to eliminate duplicates Z: 32 33.917 1.923 0.857 0.868 1.000 0.581 CB 1.247 32 residues pruned to eliminate duplicates Z: 23 29.258 1.910 0.999 0.866 1.000 0.682 CB 1.196 23 residues pruned to eliminate duplicates Z: 35 29.068 1.864 0.793 0.793 0.971 0.471 CB 1.189 35 residues pruned to eliminate duplicates Z: 33 32.650 1.910 0.871 0.841 0.969 0.531 CB 1.243 33 residues pruned to eliminate duplicates Z: 32 34.153 1.924 0.980 0.864 0.968 0.484 CB 1.220 32 residues pruned to eliminate duplicates Z: 32 32.462 1.948 0.869 0.828 0.935 0.548 CB 1.289 32 residues pruned to eliminate duplicates Z: 32 34.975 1.926 0.866 0.860 1.000 0.355 CB 1.285 32 residues pruned to eliminate duplicates Z: 33 32.454 1.901 0.904 0.830 0.969 0.562 CB 1.231 33 residues pruned to eliminate duplicates Z: 33 23.777 2.000 0.436 0.673 0.938 0.750 CB 1.331 33 residues pruned to eliminate duplicates Z: 19 20.584 1.986 0.434 0.766 0.944 0.722 CB 1.425 19 residues pruned to eliminate duplicates Z: 36 23.955 2.016 0.421 0.627 0.943 0.543 CB 1.330 36 residues pruned to eliminate duplicates Z: 37 24.667 2.017 0.449 0.616 0.917 0.694 CB 1.375 37 residues pruned to eliminate duplicates Z: 38 21.478 1.981 0.431 0.614 0.865 0.514 CB 1.293 38 residues pruned to eliminate duplicates Z: 37 19.914 1.990 0.327 0.607 0.861 0.500 CB 1.319 37 residues pruned to eliminate duplicates Z: 76 52.174 2.170 0.742 0.649 0.907 0.613 CB 1.530 76 residues pruned to eliminate duplicates Z: 37 21.004 1.991 0.436 0.618 0.861 0.417 CB 1.272 37 residues pruned to eliminate duplicates Z: 111 78.070 2.324 0.747 0.659 0.927 0.627 CB 1.706 111 residues pruned to eliminate duplicates Z: 39 23.897 1.999 0.476 0.608 0.895 0.579 CB 1.326 39 residues pruned to eliminate duplicates Z: 34 25.841 2.052 0.441 0.646 0.970 0.576 CB 1.369 34 residues pruned to eliminate duplicates Z: 76 48.288 2.201 0.608 0.580 0.920 0.573 CB 1.585 76 residues pruned to eliminate duplicates Z: 36 20.937 2.049 0.307 0.609 0.886 0.600 CB 1.346 36 residues pruned to eliminate duplicates Z: 111 80.132 2.313 0.777 0.665 0.936 0.664 CB 1.704 111 residues pruned to eliminate duplicates Z: 25 12.908 1.895 0.274 0.545 0.833 0.625 CB 1.253 25 residues pruned to eliminate duplicates Z: 37 23.967 2.026 0.419 0.637 0.917 0.611 CB 1.333 37 residues pruned to eliminate duplicates Z: 24 15.467 2.022 0.368 0.470 0.870 0.609 CB 1.383 24 residues pruned to eliminate duplicates Z: 42 21.015 1.948 0.391 0.570 0.878 0.463 CB 1.289 42 residues pruned to eliminate duplicates Z: 53 39.303 2.174 0.639 0.643 0.885 0.635 CB 1.512 53 residues pruned to eliminate duplicates Z: 37 22.085 2.007 0.313 0.613 0.917 0.500 CB 1.368 37 residues pruned to eliminate duplicates Z: 37 24.556 1.997 0.506 0.617 0.917 0.528 CB 1.329 37 residues pruned to eliminate duplicates Z: 33 22.657 2.033 0.430 0.608 0.875 0.594 CB 1.421 33 residues pruned to eliminate duplicates Z: 114 81.919 2.292 0.804 0.670 0.947 0.655 CB 1.683 114 residues pruned to eliminate duplicates Z: 39 23.486 1.985 0.448 0.586 0.895 0.579 CB 1.363 39 residues pruned to eliminate duplicates Z: 111 84.027 2.320 0.799 0.674 0.955 0.700 CB 1.713 111 residues pruned to eliminate duplicates Z: 111 80.497 2.320 0.820 0.661 0.918 0.627 CB 1.705 111 residues pruned to eliminate duplicates Z: 107 83.413 2.346 0.780 0.665 0.962 0.679 CB 1.731 107 residues pruned to eliminate duplicates Z: 111 83.091 2.309 0.853 0.673 0.936 0.682 CB 1.685 111 residues pruned to eliminate duplicates Z: 114 70.998 2.305 0.667 0.667 0.885 0.646 CB 1.684 114 residues pruned to eliminate duplicates Z: 38 22.750 1.984 0.358 0.580 0.919 0.595 CB 1.399 38 residues pruned to eliminate duplicates Z: 39 22.808 2.014 0.377 0.578 0.895 0.500 CB 1.384 39 residues pruned to eliminate duplicates Z: 114 79.743 2.307 0.759 0.669 0.929 0.681 CB 1.701 114 residues pruned to eliminate duplicates Z: 35 22.340 2.045 0.242 0.650 0.941 0.618 CB 1.394 35 residues pruned to eliminate duplicates Z: 110 80.755 2.318 0.802 0.657 0.927 0.670 CB 1.727 110 residues pruned to eliminate duplicates Z: 111 77.574 2.304 0.770 0.660 0.918 0.673 CB 1.703 111 residues pruned to eliminate duplicates Z: 61 41.429 2.177 0.689 0.582 0.883 0.550 CB 1.521 61 residues pruned to eliminate duplicates Z: 114 78.422 2.307 0.734 0.659 0.920 0.602 CB 1.728 114 residues pruned to eliminate duplicates Z: 110 78.336 2.328 0.708 0.663 0.945 0.606 CB 1.718 110 residues pruned to eliminate duplicates Z: 114 72.928 2.278 0.744 0.650 0.903 0.619 CB 1.663 114 residues pruned to eliminate duplicates Z: 72 65.902 2.394 0.794 0.651 0.887 0.592 CB 1.783 72 residues pruned to eliminate duplicates Z: 76 83.845 2.426 0.908 0.704 0.947 0.720 CB 1.835 76 residues pruned to eliminate duplicates Z: 113 80.830 2.287 0.810 0.650 0.938 0.670 CB 1.710 113 residues pruned to eliminate duplicates Z: 104 86.464 2.343 0.861 0.682 0.961 0.680 CB 1.720 104 residues pruned to eliminate duplicates Z: 90 85.642 2.404 0.885 0.687 0.933 0.663 CB 1.810 90 residues pruned to eliminate duplicates Z: 111 78.551 2.318 0.753 0.654 0.936 0.664 CB 1.707 111 residues pruned to eliminate duplicates Z: 111 77.373 2.302 0.836 0.643 0.927 0.582 CB 1.646 111 residues pruned to eliminate duplicates Z: 37 49.178 2.352 1.012 0.579 0.917 0.528 CB 1.751 37 residues pruned to eliminate duplicates Z: 49 68.890 2.386 1.186 0.634 0.917 0.479 CA 1.833 42 residues pruned to eliminate duplicates Z: 14 42.169 2.439 1.460 0.909 0.846 0.385 CA 1.635 14 residues pruned to eliminate duplicates Z: 15 40.738 2.412 1.278 0.852 0.929 0.643 CA 1.578 15 residues pruned to eliminate duplicates Z: 75 88.928 2.446 0.982 0.707 0.946 0.703 CB 1.868 75 residues pruned to eliminate duplicates Z: 113 81.573 2.311 0.774 0.671 0.938 0.679 CB 1.712 113 residues pruned to eliminate duplicates Z: 36 49.757 2.421 0.976 0.600 0.886 0.714 CB 1.805 36 residues pruned to eliminate duplicates Z: 114 79.838 2.299 0.772 0.670 0.929 0.690 CB 1.697 114 residues pruned to eliminate duplicates Z: 112 75.413 2.317 0.707 0.651 0.919 0.703 CB 1.711 112 residues pruned to eliminate duplicates Z: 113 76.431 2.302 0.732 0.656 0.920 0.652 CB 1.704 113 residues pruned to eliminate duplicates Z: 110 80.340 2.338 0.732 0.679 0.936 0.670 CB 1.722 110 residues pruned to eliminate duplicates Z: 76 90.231 2.437 0.988 0.714 0.960 0.733 CB 1.845 76 residues pruned to eliminate duplicates Z: 54 79.223 2.503 1.008 0.719 0.925 0.811 CB 1.922 54 residues pruned to eliminate duplicates Z: 37 46.741 2.370 0.816 0.607 0.917 0.639 CA 1.784 37 residues pruned to eliminate duplicates Z: 110 84.119 2.302 0.805 0.682 0.954 0.688 CB 1.719 110 residues pruned to eliminate duplicates Z: 114 74.371 2.296 0.642 0.671 0.938 0.673 CB 1.690 114 residues pruned to eliminate duplicates Z: 112 73.321 2.276 0.778 0.643 0.892 0.631 CB 1.687 112 residues pruned to eliminate duplicates Z: 68 46.107 2.222 0.668 0.593 0.881 0.642 CB 1.579 68 residues pruned to eliminate duplicates Z: 74 83.678 2.446 0.938 0.711 0.918 0.753 CB 1.859 74 residues pruned to eliminate duplicates Z: 74 91.872 2.480 0.957 0.725 0.945 0.753 CB 1.913 74 residues pruned to eliminate duplicates Z: 113 79.091 2.302 0.769 0.665 0.929 0.634 CB 1.697 113 residues pruned to eliminate duplicates Z: 89 88.573 2.422 0.895 0.701 0.932 0.693 CB 1.838 89 residues pruned to eliminate duplicates Z: 111 85.089 2.329 0.799 0.676 0.955 0.691 CB 1.725 111 residues pruned to eliminate duplicates Z: 114 75.993 2.299 0.731 0.662 0.929 0.646 CB 1.664 114 residues pruned to eliminate duplicates Z: 75 80.205 2.437 0.806 0.707 0.946 0.689 CB 1.855 75 residues pruned to eliminate duplicates Z: 75 90.977 2.432 0.935 0.718 0.986 0.743 CA 1.871 75 residues pruned to eliminate duplicates Z: 59 70.895 2.438 0.962 0.667 0.914 0.724 CB 1.824 59 residues pruned to eliminate duplicates Z: 70 88.432 2.489 0.967 0.700 0.957 0.710 CB 1.895 70 residues pruned to eliminate duplicates Z: 37 58.536 2.403 0.891 0.747 0.917 0.694 CB 1.877 37 residues pruned to eliminate duplicates Z: 52 75.199 2.432 0.866 0.771 0.961 0.745 CB 1.900 52 residues pruned to eliminate duplicates Z: 114 76.921 2.300 0.724 0.662 0.929 0.646 CB 1.690 114 residues pruned to eliminate duplicates Z: 111 82.040 2.297 0.756 0.690 0.964 0.709 CB 1.690 111 residues pruned to eliminate duplicates Z: 52 76.148 2.419 1.010 0.765 0.941 0.706 CA 1.842 52 residues pruned to eliminate duplicates Z: 114 79.024 2.301 0.782 0.655 0.929 0.655 CB 1.689 114 residues pruned to eliminate duplicates Z: 40 45.732 2.247 0.938 0.675 0.923 0.564 CB 1.551 40 residues pruned to eliminate duplicates Z: 45 69.233 2.446 1.063 0.743 0.886 0.705 CB 1.878 38 residues pruned to eliminate duplicates Z: 20 69.916 2.541 1.292 0.961 1.000 0.895 CA 1.886 20 residues pruned to eliminate duplicates Z: 76 81.027 2.443 0.830 0.716 0.947 0.693 CB 1.819 76 residues pruned to eliminate duplicates Z: 74 88.159 2.478 0.889 0.712 0.959 0.685 CB 1.897 74 residues pruned to eliminate duplicates Z: 58 54.810 2.360 0.854 0.600 0.860 0.596 CB 1.755 91 residues pruned to eliminate duplicates Z: 19 72.544 2.564 1.323 0.955 1.000 0.389 CB 1.973 19 residues pruned to eliminate duplicates Z: 113 71.721 2.267 0.840 0.651 0.866 0.554 CB 1.629 113 residues pruned to eliminate duplicates Z: 40 44.504 2.268 0.932 0.657 0.872 0.513 CB 1.612 40 residues pruned to eliminate duplicates Z: 74 95.142 2.465 1.034 0.715 0.973 0.603 CB 1.878 74 residues pruned to eliminate duplicates Z: 76 90.916 2.431 1.015 0.700 0.973 0.627 CB 1.836 76 residues pruned to eliminate duplicates Z: 42 73.890 2.438 1.004 0.771 1.000 0.610 CB 1.858 42 residues pruned to eliminate duplicates Z: 113 77.154 2.278 0.812 0.653 0.920 0.616 CB 1.665 113 residues pruned to eliminate duplicates Z: 107 74.105 2.311 0.715 0.657 0.925 0.594 CB 1.697 107 residues pruned to eliminate duplicates Z: 75 88.876 2.438 1.060 0.685 0.932 0.581 CB 1.862 75 residues pruned to eliminate duplicates Z: 110 80.489 2.304 0.808 0.674 0.917 0.615 CB 1.719 110 residues pruned to eliminate duplicates Z: 41 55.168 2.309 1.102 0.660 0.875 0.525 CB 1.770 41 residues pruned to eliminate duplicates Z: 52 78.582 2.456 1.004 0.771 0.941 0.608 CB 1.869 52 residues pruned to eliminate duplicates Z: 39 57.942 2.313 1.086 0.658 0.947 0.500 CB 1.775 39 residues pruned to eliminate duplicates Z: 38 56.398 2.364 0.953 0.674 0.973 0.541 CB 1.758 38 residues pruned to eliminate duplicates Z: 113 80.410 2.313 0.800 0.656 0.938 0.598 CB 1.685 113 residues pruned to eliminate duplicates Z: 37 50.712 2.353 0.942 0.658 0.944 0.472 CB 1.691 37 residues pruned to eliminate duplicates Z: 75 93.344 2.431 1.100 0.706 0.959 0.635 CB 1.838 75 residues pruned to eliminate duplicates Z: 38 56.237 2.391 0.947 0.690 0.919 0.541 CB 1.817 38 residues pruned to eliminate duplicates Z: 10 28.097 2.313 0.750 0.852 1.000 0.778 CA 1.712 10 residues pruned to eliminate duplicates Z: 76 89.841 2.455 1.063 0.701 0.920 0.653 CB 1.854 76 residues pruned to eliminate duplicates Z: 38 54.785 2.376 0.905 0.692 0.946 0.568 CB 1.765 51 residues pruned to eliminate duplicates Z: 17 36.069 2.267 0.660 0.863 1.000 0.750 CA 1.758 17 residues pruned to eliminate duplicates Z: 84 82.808 2.382 0.931 0.688 0.952 0.566 CB 1.747 84 residues pruned to eliminate duplicates Z: 52 52.769 2.166 0.833 0.748 0.961 0.804 CB 1.552 52 residues pruned to eliminate duplicates Z: 59 52.758 2.162 0.878 0.697 0.948 0.741 CB 1.502 59 residues pruned to eliminate duplicates Z: 71 54.832 2.180 0.756 0.718 0.929 0.771 CB 1.514 71 residues pruned to eliminate duplicates Z: 34 24.893 1.942 0.733 0.643 0.909 0.576 CB 1.239 34 residues pruned to eliminate duplicates Z: 148 59.111 2.020 0.676 0.655 0.932 0.592 CB 1.337 148 residues pruned to eliminate duplicates Z: 34 25.785 1.990 0.629 0.680 0.909 0.758 CB 1.291 34 residues pruned to eliminate duplicates Z: 51 51.899 2.184 0.833 0.776 0.920 0.760 CB 1.561 51 residues pruned to eliminate duplicates Z: 69 49.866 2.120 0.813 0.685 0.941 0.765 CB 1.411 69 residues pruned to eliminate duplicates Z: 49 52.624 2.155 0.987 0.735 0.938 0.646 CB 1.532 49 residues pruned to eliminate duplicates Z: 50 57.920 2.203 0.959 0.797 0.980 0.776 CB 1.509 50 residues pruned to eliminate duplicates Z: 48 59.802 2.261 0.829 0.825 0.979 0.809 CB 1.627 48 residues pruned to eliminate duplicates Z: 107 52.516 2.099 0.634 0.663 0.925 0.604 CB 1.384 107 residues pruned to eliminate duplicates Z: 147 54.660 2.036 0.613 0.656 0.925 0.603 CB 1.289 147 residues pruned to eliminate duplicates Z: 52 47.681 2.181 0.764 0.734 0.922 0.667 CB 1.527 52 residues pruned to eliminate duplicates Z: 49 55.673 2.247 0.784 0.779 0.979 0.729 CB 1.601 49 residues pruned to eliminate duplicates Z: 49 56.936 2.255 0.849 0.790 0.958 0.688 CB 1.594 49 residues pruned to eliminate duplicates Z: 70 50.152 2.115 0.863 0.661 0.928 0.580 CB 1.424 70 residues pruned to eliminate duplicates Z: 48 58.776 2.280 0.870 0.812 0.957 0.702 CB 1.600 48 residues pruned to eliminate duplicates Z: 55 41.447 2.065 0.860 0.642 0.870 0.519 CB 1.478 55 residues pruned to eliminate duplicates Z: 39 47.704 2.198 0.928 0.748 0.947 0.684 CB 1.545 39 residues pruned to eliminate duplicates Z: 36 54.389 2.265 0.979 0.787 1.000 0.657 CB 1.594 36 residues pruned to eliminate duplicates Z: 51 57.215 2.212 0.915 0.769 0.960 0.700 CB 1.568 51 residues pruned to eliminate duplicates Z: 48 51.331 2.165 0.882 0.726 0.957 0.617 CB 1.565 48 residues pruned to eliminate duplicates Z: 53 51.878 2.185 0.804 0.734 0.962 0.558 CB 1.539 53 residues pruned to eliminate duplicates Z: 86 59.285 2.150 0.791 0.702 0.953 0.600 CB 1.457 86 residues pruned to eliminate duplicates Z: 39 49.987 2.326 0.783 0.787 0.895 0.526 CB 1.698 39 residues pruned to eliminate duplicates Z: 49 56.226 2.262 0.853 0.779 0.979 0.688 CB 1.547 49 residues pruned to eliminate duplicates Z: 51 56.160 2.222 0.924 0.788 0.940 0.700 CB 1.534 51 residues pruned to eliminate duplicates Z: 48 58.776 2.275 0.911 0.810 0.957 0.638 CB 1.572 48 residues pruned to eliminate duplicates Z: 48 60.350 2.281 0.879 0.816 0.979 0.660 CB 1.594 48 residues pruned to eliminate duplicates Z: 41 51.430 2.307 0.955 0.755 0.900 0.575 CB 1.596 41 residues pruned to eliminate duplicates Z: 49 55.784 2.243 0.796 0.790 0.958 0.646 CB 1.617 49 residues pruned to eliminate duplicates Z: 53 52.463 2.185 0.811 0.725 0.981 0.712 CB 1.530 53 residues pruned to eliminate duplicates Z: 49 49.537 2.240 0.728 0.765 0.938 0.688 CB 1.558 49 residues pruned to eliminate duplicates Z: 50 51.687 2.210 0.805 0.771 0.939 0.551 CB 1.551 50 residues pruned to eliminate duplicates Z: 17 26.091 2.193 0.596 0.839 1.000 0.500 CB 1.392 17 residues pruned to eliminate duplicates Z: 55 50.180 2.173 0.807 0.743 0.963 0.611 CB 1.452 55 residues pruned to eliminate duplicates Z: 51 51.709 2.181 0.847 0.778 0.940 0.660 CB 1.510 51 residues pruned to eliminate duplicates Z: 51 49.320 2.192 0.810 0.768 0.940 0.560 CB 1.475 51 residues pruned to eliminate duplicates Z: 49 57.877 2.247 0.931 0.812 0.958 0.604 CB 1.532 49 residues pruned to eliminate duplicates Z: 49 53.492 2.249 0.815 0.792 0.938 0.625 CB 1.561 49 residues pruned to eliminate duplicates Z: 50 54.782 2.213 0.807 0.813 0.959 0.653 CB 1.554 50 residues pruned to eliminate duplicates Z: 52 50.851 2.194 0.908 0.770 0.961 0.549 CB 1.394 52 residues pruned to eliminate duplicates Z: 46 61.558 2.308 0.914 0.823 0.978 0.689 CB 1.607 46 residues pruned to eliminate duplicates Z: 49 63.858 2.255 1.016 0.823 0.979 0.729 CB 1.565 49 residues pruned to eliminate duplicates Z: 114 62.061 2.100 0.788 0.666 0.965 0.646 CB 1.382 115 residues pruned to eliminate duplicates Z: 13 13.556 1.774 0.360 0.861 1.000 0.583 CB 1.192 Z: 12 13.198 1.741 0.619 0.900 0.909 0.909 CB 1.109 13 residues pruned to eliminate duplicates Z: 13 14.985 1.715 0.546 0.910 1.000 0.583 CB 1.157 12 residues pruned to eliminate duplicates Z: 12 16.319 1.686 0.567 0.875 1.000 0.727 CB 1.354 11 residues pruned to eliminate duplicates Z: 12 13.003 1.776 0.483 0.889 0.909 0.818 CB 1.179 12 residues pruned to eliminate duplicates Z: 48 46.143 2.220 0.590 0.793 0.979 0.809 CB 1.506 14 residues pruned to eliminate duplicates Z: 14 16.122 1.587 0.697 0.885 1.000 0.692 CB 1.199 14 residues pruned to eliminate duplicates Z: 67 45.641 2.117 0.683 0.715 0.924 0.712 CB 1.405 50 residues pruned to eliminate duplicates Z: 11 18.199 1.856 0.567 0.878 1.000 0.900 CB 1.437 11 residues pruned to eliminate duplicates Z: 66 49.752 2.140 0.725 0.741 0.938 0.754 CB 1.435 66 residues pruned to eliminate duplicates Z: 35 35.132 2.075 0.567 0.831 1.000 0.824 CB 1.392 35 residues pruned to eliminate duplicates Z: 65 45.390 2.128 0.539 0.728 0.984 0.750 CB 1.433 65 residues pruned to eliminate duplicates Z: 67 52.650 2.140 0.762 0.738 0.939 0.758 CB 1.479 65 residues pruned to eliminate duplicates Z: 24 25.532 2.128 0.314 0.897 1.000 0.870 CB 1.362 24 residues pruned to eliminate duplicates Z: 66 54.696 2.158 0.663 0.756 1.000 0.769 CB 1.505 67 residues pruned to eliminate duplicates Z: 21 38.111 2.276 0.930 0.937 0.950 0.700 CB 1.421 21 residues pruned to eliminate duplicates Z: 64 46.711 2.138 0.595 0.682 1.000 0.746 CB 1.461 64 residues pruned to eliminate duplicates Z: 65 50.828 2.141 0.758 0.737 0.938 0.641 CB 1.456 65 residues pruned to eliminate duplicates Z: 68 50.681 2.105 0.716 0.711 0.970 0.642 CB 1.459 68 residues pruned to eliminate duplicates Z: 65 49.992 2.141 0.735 0.731 0.938 0.625 CB 1.458 65 residues pruned to eliminate duplicates Z: 23 32.414 2.195 0.917 0.849 0.909 0.409 CB 1.339 23 residues pruned to eliminate duplicates Z: 49 47.433 2.192 0.808 0.753 0.958 0.583 CB 1.439 50 residues pruned to eliminate duplicates Z: 20 39.831 2.318 0.995 0.897 0.842 0.526 CB 1.680 20 residues pruned to eliminate duplicates Z: 67 51.125 2.114 0.758 0.730 0.955 0.621 CB 1.442 67 residues pruned to eliminate duplicates Z: 66 44.970 2.115 0.673 0.718 0.923 0.615 CB 1.402 66 residues pruned to eliminate duplicates Z: 22 42.149 2.250 1.086 0.882 1.000 0.333 CB 1.418 22 residues pruned to eliminate duplicates Z: 66 50.065 2.133 0.767 0.738 0.938 0.600 CB 1.418 66 residues pruned to eliminate duplicates Z: 66 49.045 2.120 0.727 0.734 0.938 0.569 CB 1.435 66 residues pruned to eliminate duplicates Z: 66 47.431 2.129 0.723 0.703 0.923 0.538 CB 1.444 66 residues pruned to eliminate duplicates Z: 68 45.381 2.073 0.710 0.695 0.940 0.507 CB 1.392 68 residues pruned to eliminate duplicates Z: 66 50.192 2.137 0.694 0.745 0.969 0.631 CB 1.425 66 residues pruned to eliminate duplicates Z: 67 46.603 2.111 0.680 0.750 0.924 0.561 CB 1.400 67 residues pruned to eliminate duplicates Z: 66 49.311 2.129 0.783 0.729 0.923 0.615 CB 1.420 66 residues pruned to eliminate duplicates Z: 49 49.819 2.202 0.893 0.792 0.917 0.562 CB 1.456 49 residues pruned to eliminate duplicates Z: 64 51.216 2.150 0.698 0.725 0.952 0.587 CB 1.515 64 residues pruned to eliminate duplicates Z: 64 54.719 2.159 0.734 0.738 0.968 0.619 CB 1.536 64 residues pruned to eliminate duplicates Z: 66 49.030 2.146 0.647 0.744 0.923 0.692 CB 1.498 66 residues pruned to eliminate duplicates Z: 65 45.227 2.157 0.583 0.738 0.906 0.594 CB 1.476 66 residues pruned to eliminate duplicates Z: 14 22.712 2.206 0.444 0.809 1.000 0.769 CB 1.511 14 residues pruned to eliminate duplicates Z: 65 50.389 2.134 0.716 0.730 0.953 0.703 CB 1.468 65 residues pruned to eliminate duplicates Z: 33 48.185 2.356 1.050 0.788 0.875 0.594 CB 1.565 33 residues pruned to eliminate duplicates Z: 67 51.651 2.127 0.768 0.752 0.939 0.636 CB 1.438 67 residues pruned to eliminate duplicates Z: 63 49.185 2.151 0.754 0.671 0.952 0.645 CB 1.485 63 residues pruned to eliminate duplicates Z: 55 51.313 2.159 0.880 0.741 0.963 0.519 CB 1.440 55 residues pruned to eliminate duplicates Z: 47 47.000 2.208 0.909 0.690 0.935 0.500 CB 1.478 47 residues pruned to eliminate duplicates Z: 56 42.128 2.087 0.808 0.676 0.836 0.545 CB 1.531 56 residues pruned to eliminate duplicates Z: 66 51.915 2.133 0.656 0.769 0.969 0.662 CB 1.482 66 residues pruned to eliminate duplicates Z: 66 51.308 2.119 0.751 0.781 0.938 0.631 CB 1.426 66 residues pruned to eliminate duplicates Z: 63 48.638 2.135 0.690 0.695 0.952 0.629 CB 1.505 63 residues pruned to eliminate duplicates Z: 67 57.397 2.129 0.772 0.774 0.985 0.576 CB 1.492 65 residues pruned to eliminate duplicates Z: 6 6.872 1.877 0.644 0.355 0.800 0.600 CB 1.456 6 residues pruned to eliminate duplicates Z: 64 48.345 2.118 0.678 0.694 0.984 0.635 CB 1.458 64 residues pruned to eliminate duplicates Z: 91 46.055 2.003 0.597 0.720 0.911 0.600 CB 1.366 157 residues pruned to eliminate duplicates Z: 66 55.543 2.121 0.783 0.776 0.969 0.600 CB 1.473 Z: 11 15.187 1.848 0.480 0.879 1.000 0.800 CB 1.274 11 residues pruned to eliminate duplicates Z: 12 18.912 1.783 0.763 0.876 1.000 0.818 CB 1.318 11 residues pruned to eliminate duplicates Z: 12 23.809 1.859 0.881 0.917 1.000 0.636 CB 1.449 12 residues pruned to eliminate duplicates Z: 11 18.247 1.873 0.779 0.867 0.900 0.400 CB 1.407 11 residues pruned to eliminate duplicates Z: 66 54.067 2.137 0.791 0.757 0.954 0.615 CB 1.462 66 residues pruned to eliminate duplicates Z: 67 48.677 2.100 0.729 0.755 0.939 0.667 CB 1.400 67 residues pruned to eliminate duplicates Z: 65 54.960 2.145 0.761 0.770 0.984 0.578 CB 1.455 65 residues pruned to eliminate duplicates Z: 65 58.221 2.152 0.802 0.761 0.984 0.625 CB 1.512 66 residues pruned to eliminate duplicates Z: 10 19.869 1.852 0.813 0.914 1.000 0.556 CB 1.395 10 residues pruned to eliminate duplicates Z: 7 5.823 1.741 0.578 0.685 0.667 0.500 CA 1.095 7 residues pruned to eliminate duplicates Z: 41 19.565 1.945 0.377 0.609 0.900 0.450 CB 1.158 41 residues pruned to eliminate duplicates Z: 75 28.978 1.889 0.503 0.588 0.919 0.459 CB 1.186 75 residues pruned to eliminate duplicates Z: 25 18.267 1.987 0.474 0.707 0.917 0.583 CB 1.151 25 residues pruned to eliminate duplicates Z: 49 20.747 1.899 0.463 0.562 0.896 0.354 CB 1.133 49 residues pruned to eliminate duplicates Z: 42 19.711 1.951 0.390 0.625 0.878 0.537 CB 1.149 42 residues pruned to eliminate duplicates Z: 72 28.726 1.912 0.487 0.635 0.915 0.535 CB 1.153 72 residues pruned to eliminate duplicates Z: 41 19.955 1.987 0.365 0.587 0.875 0.475 CB 1.223 41 residues pruned to eliminate duplicates Z: 50 21.087 1.951 0.494 0.567 0.857 0.408 CB 1.130 50 residues pruned to eliminate duplicates Z: 76 28.454 1.858 0.539 0.600 0.880 0.520 CB 1.187 76 residues pruned to eliminate duplicates Z: 58 26.126 1.816 0.506 0.659 0.930 0.579 CB 1.174 58 residues pruned to eliminate duplicates Z: 29 16.741 1.901 0.414 0.622 0.929 0.536 CB 1.130 29 residues pruned to eliminate duplicates Z: 20 14.109 1.966 0.548 0.637 0.842 0.579 CB 1.111 20 residues pruned to eliminate duplicates Z: 29 15.490 1.923 0.245 0.616 0.893 0.536 CB 1.227 29 residues pruned to eliminate duplicates Z: 42 21.743 1.947 0.387 0.624 0.927 0.610 CB 1.207 42 residues pruned to eliminate duplicates Z: 45 20.612 1.913 0.346 0.560 0.955 0.568 CB 1.193 45 residues pruned to eliminate duplicates Z: 34 17.673 1.956 0.282 0.545 0.909 0.576 CB 1.292 34 residues pruned to eliminate duplicates Z: 44 20.531 1.916 0.457 0.572 0.907 0.512 CB 1.154 44 residues pruned to eliminate duplicates Z: 22 8.809 1.783 0.371 0.494 0.762 0.524 CB 1.039 22 residues pruned to eliminate duplicates Z: 14 14.513 2.031 0.352 0.668 1.000 0.385 CB 1.255 14 residues pruned to eliminate duplicates Z: 13 18.512 2.061 0.428 0.740 1.000 0.417 CB 1.464 13 residues pruned to eliminate duplicates Z: 14 19.210 2.042 0.502 0.743 1.000 0.769 CB 1.397 14 residues pruned to eliminate duplicates Z: 29 20.375 1.934 0.471 0.617 0.929 0.429 CB 1.305 29 residues pruned to eliminate duplicates Z: 14 15.160 1.988 0.497 0.576 0.923 0.462 CA 1.422 14 residues pruned to eliminate duplicates Z: 44 21.243 1.936 0.400 0.608 0.930 0.535 CB 1.159 44 residues pruned to eliminate duplicates Z: 49 25.745 1.988 0.500 0.574 0.875 0.625 CB 1.326 49 residues pruned to eliminate duplicates Z: 38 23.061 2.020 0.471 0.577 0.892 0.595 CB 1.328 38 residues pruned to eliminate duplicates Z: 51 19.630 1.894 0.410 0.579 0.840 0.520 CB 1.148 51 residues pruned to eliminate duplicates Z: 44 20.758 1.939 0.322 0.608 0.953 0.558 CB 1.169 44 residues pruned to eliminate duplicates Z: 13 12.597 2.057 0.103 0.717 0.917 0.667 CB 1.437 13 residues pruned to eliminate duplicates Z: 28 18.822 1.969 0.394 0.636 0.926 0.519 CB 1.254 28 residues pruned to eliminate duplicates Z: 13 17.393 2.084 0.404 0.748 0.917 0.750 CB 1.500 13 residues pruned to eliminate duplicates 355 residues left after pruning, divided into chains as follows: A: 110 B: 179 C: 66 CC for partial structure against native data = 40.23 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.511, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.578, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.695, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.705, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.722, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.731, Connect. = 0.812 for dens.mod. cycle 8 = 0.300, Contrast = 0.734, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.735, Connect. = 0.813 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1881 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 431 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 19 66.677 2.562 1.183 0.949 1.000 0.722 CA 1.939 B: 21 61.324 2.441 1.132 0.927 1.000 0.800 CA 1.847 20 residues pruned to eliminate duplicates C: 21 65.401 2.495 1.248 0.936 1.000 0.850 CA 1.815 20 residues pruned to eliminate duplicates D: 15 43.583 2.442 1.198 0.835 1.000 0.643 CA 1.626 E: 20 69.422 2.560 1.241 0.937 1.000 0.947 CA 1.932 20 residues pruned to eliminate duplicates F: 13 25.949 2.320 0.497 0.866 0.917 0.667 CB 1.723 G: 21 65.493 2.508 1.220 0.916 1.000 0.750 CA 1.858 21 residues pruned to eliminate duplicates H: 20 64.445 2.558 1.192 0.937 0.947 0.474 CA 1.936 20 residues pruned to eliminate duplicates I: 12 19.520 2.256 0.238 0.875 0.909 0.636 CB 1.686 12 residues pruned to eliminate duplicates J: 19 61.318 2.534 1.093 0.949 1.000 0.833 CA 1.880 19 residues pruned to eliminate duplicates K: 18 25.680 2.104 0.568 0.828 0.882 0.647 CB 1.611 13 residues pruned to eliminate duplicates L: 21 64.566 2.469 1.241 0.931 1.000 0.900 CA 1.823 21 residues pruned to eliminate duplicates M: 15 42.169 2.323 1.298 0.823 1.000 0.571 CA 1.596 15 residues pruned to eliminate duplicates N: 13 24.568 2.192 0.622 0.852 0.917 0.750 CA 1.609 O: 15 26.033 2.155 0.589 0.915 0.929 0.571 CB 1.547 P: 22 49.665 2.381 0.936 0.909 1.000 0.810 CA 1.668 22 residues pruned to eliminate duplicates Q: 18 29.458 2.148 0.490 0.860 1.000 0.588 CB 1.642 18 residues pruned to eliminate duplicates R: 15 49.884 2.430 1.429 0.882 1.000 0.857 CA 1.634 15 residues pruned to eliminate duplicates S: 21 61.555 2.490 1.225 0.924 1.000 0.750 CA 1.745 21 residues pruned to eliminate duplicates T: 15 41.438 2.236 1.511 0.838 0.929 0.786 CA 1.588 15 residues pruned to eliminate duplicates U: 20 73.648 2.558 1.350 0.924 1.000 0.737 CA 1.974 21 residues pruned to eliminate duplicates V: 21 67.363 2.493 1.254 0.931 1.000 0.700 CA 1.874 20 residues pruned to eliminate duplicates W: 11 23.563 2.313 0.323 0.872 1.000 0.800 CA 1.775 11 residues pruned to eliminate duplicates X: 12 27.834 2.282 0.514 0.847 1.000 0.818 CA 1.803 12 residues pruned to eliminate duplicates Y: 20 52.332 2.372 0.918 0.938 1.000 0.789 CA 1.836 Z: 20 60.775 2.541 1.003 0.940 1.000 0.842 CA 1.902 20 residues pruned to eliminate duplicates Z: 25 38.014 2.131 0.905 0.893 0.958 0.708 CB 1.432 Z: 15 42.995 2.359 1.304 0.883 0.929 0.643 CA 1.646 15 residues pruned to eliminate duplicates Z: 23 42.219 2.223 1.087 0.910 1.000 0.318 CB 1.376 25 residues pruned to eliminate duplicates Z: 13 24.493 2.192 0.457 0.822 1.000 0.750 CB 1.675 13 residues pruned to eliminate duplicates Z: 21 65.108 2.510 1.362 0.923 0.950 0.800 CA 1.816 21 residues pruned to eliminate duplicates Z: 21 51.847 2.388 0.960 0.921 1.000 0.900 CA 1.742 21 residues pruned to eliminate duplicates Z: 13 27.515 2.117 0.702 0.826 1.000 0.583 O 1.663 13 residues pruned to eliminate duplicates Z: 23 46.509 2.250 1.177 0.913 1.000 0.455 CB 1.433 23 residues pruned to eliminate duplicates Z: 21 67.152 2.464 1.354 0.910 1.000 0.350 CB 1.836 21 residues pruned to eliminate duplicates Z: 14 21.866 2.203 0.398 0.777 0.923 0.692 CB 1.670 14 residues pruned to eliminate duplicates Z: 16 30.346 2.265 0.441 0.892 1.000 0.733 CB 1.725 16 residues pruned to eliminate duplicates Z: 14 22.863 2.121 0.547 0.826 1.000 0.769 CB 1.458 Z: 21 51.080 2.311 0.970 0.941 0.950 0.800 CA 1.833 21 residues pruned to eliminate duplicates Z: 64 42.372 2.081 0.704 0.731 0.889 0.524 CB 1.376 48 residues pruned to eliminate duplicates Z: 21 45.672 2.222 0.994 0.914 0.950 0.650 CA 1.715 21 residues pruned to eliminate duplicates Z: 21 50.469 2.249 1.093 0.921 0.950 0.550 CA 1.775 19 residues pruned to eliminate duplicates Z: 19 20.063 2.018 0.628 0.655 0.889 0.667 CB 1.402 19 residues pruned to eliminate duplicates Z: 17 30.463 1.986 0.996 0.859 1.000 0.688 CB 1.414 16 residues pruned to eliminate duplicates Z: 13 25.667 2.219 0.563 0.856 0.833 0.583 CA 1.891 13 residues pruned to eliminate duplicates Z: 21 37.254 2.298 0.877 0.933 0.900 0.550 CB 1.497 21 residues pruned to eliminate duplicates Z: 20 50.552 2.310 1.047 0.938 0.947 0.632 CB 1.800 21 residues pruned to eliminate duplicates Z: 16 30.059 2.247 0.492 0.900 0.933 0.800 CB 1.771 16 residues pruned to eliminate duplicates Z: 21 42.959 2.315 0.851 0.944 1.000 0.600 CB 1.553 22 residues pruned to eliminate duplicates Z: 14 36.109 2.239 1.002 0.888 1.000 0.923 CB 1.610 Z: 23 37.347 2.198 0.936 0.913 0.909 0.591 CB 1.456 22 residues pruned to eliminate duplicates Z: 20 75.932 2.525 1.466 0.965 1.000 0.789 CA 1.910 20 residues pruned to eliminate duplicates Z: 13 33.055 2.160 0.709 0.917 1.000 0.750 O 1.824 13 residues pruned to eliminate duplicates Z: 12 24.238 2.264 0.379 0.875 1.000 0.727 CB 1.701 12 residues pruned to eliminate duplicates Z: 15 18.364 2.146 0.334 0.724 0.929 0.643 CB 1.509 15 residues pruned to eliminate duplicates Z: 15 44.989 2.407 1.382 0.892 0.929 0.714 CA 1.622 15 residues pruned to eliminate duplicates Z: 12 17.882 2.163 0.344 0.759 0.909 0.636 CA 1.621 12 residues pruned to eliminate duplicates Z: 21 42.364 2.286 0.746 0.935 0.950 0.800 CA 1.741 21 residues pruned to eliminate duplicates Z: 22 51.464 2.253 0.954 0.931 1.000 0.810 CA 1.782 22 residues pruned to eliminate duplicates Z: 21 52.168 2.297 0.984 0.929 1.000 0.450 CB 1.792 21 residues pruned to eliminate duplicates Z: 14 30.818 2.144 0.828 0.902 1.000 0.692 CB 1.555 13 residues pruned to eliminate duplicates Z: 62 37.240 2.082 0.701 0.695 0.820 0.525 CB 1.374 63 residues pruned to eliminate duplicates Z: 16 26.898 2.222 0.697 0.769 0.867 0.600 CB 1.675 16 residues pruned to eliminate duplicates Z: 16 24.442 2.039 0.728 0.845 0.933 0.667 CB 1.427 16 residues pruned to eliminate duplicates Z: 20 49.344 2.399 0.795 0.930 1.000 0.842 CA 1.839 20 residues pruned to eliminate duplicates Z: 23 41.037 2.279 0.863 0.930 0.955 0.545 CB 1.509 22 residues pruned to eliminate duplicates Z: 16 23.057 2.067 0.303 0.891 1.000 0.867 CB 1.588 17 residues pruned to eliminate duplicates Z: 15 36.748 2.321 1.282 0.817 0.929 0.643 CA 1.515 15 residues pruned to eliminate duplicates Z: 15 16.689 2.139 0.181 0.858 0.857 0.786 CB 1.518 15 residues pruned to eliminate duplicates Z: 23 30.129 2.231 0.622 0.907 0.909 0.773 CB 1.388 23 residues pruned to eliminate duplicates Z: 20 45.113 2.276 0.930 0.914 0.947 0.842 CA 1.758 20 residues pruned to eliminate duplicates Z: 17 21.500 2.144 0.256 0.791 0.938 0.625 CB 1.649 17 residues pruned to eliminate duplicates Z: 15 21.069 2.108 0.400 0.905 1.000 0.929 CB 1.358 15 residues pruned to eliminate duplicates Z: 16 34.508 2.226 0.636 0.886 1.000 0.533 CB 1.764 16 residues pruned to eliminate duplicates Z: 22 45.676 2.191 0.839 0.932 1.000 0.286 CB 1.727 22 residues pruned to eliminate duplicates Z: 21 45.938 2.307 0.824 0.923 0.950 0.500 CB 1.806 21 residues pruned to eliminate duplicates Z: 18 33.047 2.057 0.727 0.843 1.000 0.706 CB 1.680 18 residues pruned to eliminate duplicates Z: 13 27.253 2.232 0.494 0.834 1.000 0.833 CA 1.768 13 residues pruned to eliminate duplicates Z: 22 41.154 2.313 0.873 0.925 0.952 0.667 CB 1.528 22 residues pruned to eliminate duplicates Z: 19 34.808 2.270 0.977 0.865 0.944 0.611 CA 1.419 19 residues pruned to eliminate duplicates Z: 10 7.362 1.487 0.301 0.829 0.889 0.667 CB 1.074 Z: 19 70.556 2.554 1.267 0.954 1.000 0.667 CA 1.975 19 residues pruned to eliminate duplicates Z: 14 32.035 2.342 0.519 0.872 1.000 0.846 CB 1.820 14 residues pruned to eliminate duplicates Z: 21 46.168 2.303 0.897 0.892 0.950 0.850 CA 1.786 21 residues pruned to eliminate duplicates Z: 20 53.558 2.516 0.848 0.909 1.000 0.737 CA 1.875 20 residues pruned to eliminate duplicates Z: 15 34.887 2.384 0.835 0.844 1.000 0.786 CA 1.585 15 residues pruned to eliminate duplicates Z: 22 42.445 2.261 1.077 0.933 0.905 0.524 CB 1.522 22 residues pruned to eliminate duplicates Z: 15 40.367 2.413 1.155 0.871 0.929 0.786 CA 1.630 15 residues pruned to eliminate duplicates Z: 23 35.410 2.206 0.765 0.872 1.000 0.773 CB 1.413 23 residues pruned to eliminate duplicates Z: 20 48.327 2.336 0.900 0.930 0.947 0.632 CA 1.843 20 residues pruned to eliminate duplicates Z: 17 21.421 2.115 0.562 0.709 0.875 0.812 CB 1.532 17 residues pruned to eliminate duplicates Z: 13 30.883 2.266 0.921 0.903 1.000 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 12 33.818 2.272 0.729 0.914 1.000 0.818 CB 1.836 12 residues pruned to eliminate duplicates Z: 14 26.239 2.227 0.609 0.924 1.000 1.000 CB 1.427 14 residues pruned to eliminate duplicates Z: 14 18.560 2.101 0.271 0.775 1.000 0.615 CB 1.512 Z: 22 37.129 2.221 0.926 0.901 0.952 0.571 CB 1.420 22 residues pruned to eliminate duplicates Z: 16 30.709 2.279 0.415 0.900 1.000 0.733 CB 1.757 16 residues pruned to eliminate duplicates Z: 17 32.582 2.218 0.579 0.848 1.000 0.625 CA 1.726 17 residues pruned to eliminate duplicates Z: 23 40.164 2.150 0.840 0.911 0.955 0.909 CA 1.607 23 residues pruned to eliminate duplicates Z: 20 67.986 2.492 1.347 0.957 1.000 0.684 CA 1.831 20 residues pruned to eliminate duplicates Z: 20 37.178 2.310 0.569 0.915 0.947 0.737 CA 1.756 20 residues pruned to eliminate duplicates Z: 22 35.638 2.313 0.603 0.922 0.952 0.857 CB 1.548 22 residues pruned to eliminate duplicates Z: 11 16.396 2.164 0.436 0.832 0.800 0.500 CB 1.565 Z: 12 16.643 2.081 0.260 0.795 1.000 0.636 CB 1.478 12 residues pruned to eliminate duplicates Z: 16 26.843 2.083 0.811 0.900 0.867 0.667 CB 1.514 16 residues pruned to eliminate duplicates Z: 19 20.113 1.951 0.583 0.746 0.944 0.389 CB 1.305 Z: 18 15.845 1.973 0.335 0.729 0.882 0.706 CB 1.346 18 residues pruned to eliminate duplicates Z: 13 17.994 2.216 0.199 0.828 0.917 0.917 CB 1.606 11 residues pruned to eliminate duplicates Z: 14 26.014 2.175 0.473 0.782 1.000 0.692 O 1.756 14 residues pruned to eliminate duplicates Z: 15 28.854 2.029 0.989 0.878 1.000 0.786 CB 1.387 15 residues pruned to eliminate duplicates Z: 14 24.120 2.199 0.681 0.837 0.923 0.769 CB 1.466 14 residues pruned to eliminate duplicates Z: 20 41.400 2.398 0.773 0.920 0.947 0.895 CA 1.661 20 residues pruned to eliminate duplicates Z: 13 13.358 1.732 0.332 0.927 0.917 0.917 CB 1.277 Z: 21 23.612 2.240 0.165 0.948 0.950 0.900 CB 1.471 21 residues pruned to eliminate duplicates Z: 13 26.310 2.218 0.600 0.879 1.000 0.917 CB 1.551 13 residues pruned to eliminate duplicates Z: 20 52.783 2.327 1.002 0.929 1.000 0.632 CB 1.818 20 residues pruned to eliminate duplicates Z: 12 21.361 2.197 0.369 0.820 1.000 0.818 CB 1.623 13 residues pruned to eliminate duplicates Z: 14 27.228 2.142 0.719 0.883 1.000 0.538 CB 1.483 14 residues pruned to eliminate duplicates Z: 14 11.583 2.055 0.172 0.665 0.846 0.615 CB 1.354 Z: 12 21.384 2.177 0.486 0.808 1.000 0.818 CB 1.523 12 residues pruned to eliminate duplicates Z: 11 14.251 2.043 0.431 0.770 0.900 0.600 CB 1.349 13 residues pruned to eliminate duplicates Z: 9 15.135 2.037 0.403 0.806 1.000 0.375 CB 1.433 Z: 15 43.095 2.325 1.306 0.857 0.929 0.429 CB 1.706 15 residues pruned to eliminate duplicates Z: 23 34.250 2.216 0.776 0.921 0.955 0.727 CB 1.368 23 residues pruned to eliminate duplicates Z: 13 17.387 2.051 0.356 0.798 1.000 0.750 CA 1.391 13 residues pruned to eliminate duplicates Z: 13 55.158 2.530 1.364 0.915 1.000 0.917 CA 1.882 14 residues pruned to eliminate duplicates Z: 23 35.282 2.189 0.960 0.603 0.955 0.682 CB 1.665 23 residues pruned to eliminate duplicates Z: 13 20.245 2.065 0.427 0.812 1.000 0.750 CB 1.511 13 residues pruned to eliminate duplicates Z: 8 7.535 1.562 0.350 0.735 0.857 0.429 CA 1.277 8 residues pruned to eliminate duplicates Z: 11 6.116 1.871 0.405 0.703 0.600 0.300 CB 1.019 11 residues pruned to eliminate duplicates Z: 13 11.634 1.718 0.304 0.915 0.917 0.750 CB 1.155 13 residues pruned to eliminate duplicates Z: 16 24.664 2.021 0.800 0.823 0.933 0.667 CB 1.418 16 residues pruned to eliminate duplicates Z: 14 14.246 2.064 0.531 0.657 0.769 0.308 CB 1.405 12 residues pruned to eliminate duplicates Z: 13 24.043 2.256 0.657 0.908 0.917 0.917 CB 1.439 13 residues pruned to eliminate duplicates Z: 17 31.398 2.001 0.981 0.864 0.938 0.500 CB 1.549 17 residues pruned to eliminate duplicates Z: 18 17.884 1.929 0.331 0.806 1.000 0.588 CB 1.293 9 residues pruned to eliminate duplicates Z: 8 11.779 2.123 0.182 0.783 1.000 0.571 CB 1.383 8 residues pruned to eliminate duplicates Z: 20 69.416 2.526 1.307 0.919 1.000 0.579 CA 1.926 20 residues pruned to eliminate duplicates Z: 18 18.627 1.928 0.441 0.780 0.941 0.588 CB 1.350 19 residues pruned to eliminate duplicates Z: 10 11.159 2.014 0.447 0.811 0.889 0.556 CB 1.096 10 residues pruned to eliminate duplicates Z: 11 15.669 1.865 0.456 0.907 0.900 0.800 CB 1.441 10 residues pruned to eliminate duplicates Z: 13 18.142 1.842 0.846 0.800 0.917 0.667 CB 1.293 14 residues pruned to eliminate duplicates Z: 17 21.946 1.892 0.705 0.925 1.000 0.875 CB 1.194 Z: 19 71.758 2.596 1.306 0.949 1.000 0.611 CA 1.951 19 residues pruned to eliminate duplicates Z: 18 17.823 1.943 0.261 0.854 0.941 0.529 CB 1.385 18 residues pruned to eliminate duplicates Z: 22 24.446 1.909 0.557 0.941 1.000 0.857 CB 1.245 17 residues pruned to eliminate duplicates Z: 13 14.869 2.018 0.190 0.789 1.000 0.833 CB 1.386 12 residues pruned to eliminate duplicates Z: 18 19.899 1.874 0.492 0.931 0.941 0.647 CB 1.282 18 residues pruned to eliminate duplicates Z: 13 18.525 2.081 0.564 0.824 0.833 0.750 CB 1.490 12 residues pruned to eliminate duplicates Z: 10 10.127 1.707 0.377 0.881 0.889 0.778 CA 1.170 10 residues pruned to eliminate duplicates Z: 10 11.879 1.828 0.459 0.888 0.889 0.889 CB 1.203 Z: 38 66.069 2.468 0.903 0.819 0.973 0.514 CB 1.802 36 residues pruned to eliminate duplicates Z: 16 43.697 2.228 1.487 0.856 1.000 0.667 CA 1.501 16 residues pruned to eliminate duplicates Z: 14 19.153 2.048 0.276 0.821 1.000 0.692 CB 1.539 14 residues pruned to eliminate duplicates Z: 13 11.104 1.738 0.259 0.904 0.833 0.833 CB 1.252 13 residues pruned to eliminate duplicates Z: 73 84.190 2.479 0.818 0.728 0.958 0.653 CB 1.870 66 residues pruned to eliminate duplicates Z: 15 38.766 2.365 1.155 0.833 0.929 0.571 CA 1.643 15 residues pruned to eliminate duplicates Z: 14 18.761 2.231 0.234 0.791 0.923 0.923 CB 1.586 14 residues pruned to eliminate duplicates Z: 12 17.143 1.826 0.622 0.871 1.000 0.727 CB 1.273 Z: 55 43.393 2.169 0.642 0.628 0.944 0.574 CB 1.557 50 residues pruned to eliminate duplicates Z: 15 26.499 2.151 0.987 0.891 0.929 0.571 CB 1.283 14 residues pruned to eliminate duplicates Z: 14 17.004 2.088 0.213 0.807 1.000 0.615 CB 1.425 14 residues pruned to eliminate duplicates Z: 11 18.740 1.886 0.441 0.919 1.000 1.000 CA 1.538 11 residues pruned to eliminate duplicates Z: 38 20.251 2.060 0.358 0.553 0.865 0.622 CB 1.307 29 residues pruned to eliminate duplicates Z: 14 18.530 2.053 0.311 0.798 1.000 0.692 CB 1.471 14 residues pruned to eliminate duplicates Z: 20 28.312 2.269 0.401 0.709 0.947 0.632 CB 1.784 20 residues pruned to eliminate duplicates Z: 20 29.218 1.966 0.888 0.948 1.000 0.737 CB 1.247 21 residues pruned to eliminate duplicates Z: 15 24.106 2.098 0.566 0.883 0.929 0.714 CA 1.527 15 residues pruned to eliminate duplicates Z: 8 8.389 1.861 0.629 0.633 0.714 0.429 CB 1.292 8 residues pruned to eliminate duplicates Z: 12 16.197 1.877 0.490 0.887 1.000 0.818 CB 1.259 12 residues pruned to eliminate duplicates Z: 13 19.159 2.246 0.352 0.886 1.000 0.833 CB 1.315 13 residues pruned to eliminate duplicates Z: 41 35.964 2.072 0.670 0.786 0.950 0.575 CB 1.345 41 residues pruned to eliminate duplicates Z: 22 23.666 1.853 0.819 0.895 0.905 0.524 CB 1.214 22 residues pruned to eliminate duplicates Z: 21 42.183 2.313 0.714 0.915 0.950 0.900 CB 1.770 21 residues pruned to eliminate duplicates Z: 60 42.466 2.165 0.606 0.608 0.915 0.542 CB 1.568 60 residues pruned to eliminate duplicates Z: 11 13.779 2.143 0.249 0.808 0.800 0.700 CB 1.555 11 residues pruned to eliminate duplicates Z: 11 33.544 2.319 1.120 0.918 1.000 0.900 CB 1.521 11 residues pruned to eliminate duplicates Z: 12 11.366 1.885 0.145 0.841 1.000 0.727 CB 1.185 11 residues pruned to eliminate duplicates Z: 18 24.250 2.153 0.502 0.719 0.941 0.765 CB 1.585 18 residues pruned to eliminate duplicates Z: 7 6.757 1.838 -0.125 0.817 1.000 0.667 CB 1.302 7 residues pruned to eliminate duplicates Z: 22 38.245 2.285 0.846 0.944 0.952 0.476 CB 1.439 22 residues pruned to eliminate duplicates Z: 16 29.830 2.039 1.043 0.877 1.000 0.800 CB 1.342 21 residues pruned to eliminate duplicates Z: 14 21.970 2.126 0.735 0.720 0.923 0.769 CA 1.466 14 residues pruned to eliminate duplicates Z: 19 18.715 1.925 0.432 0.842 0.944 0.444 CB 1.262 19 residues pruned to eliminate duplicates Z: 10 28.375 2.192 0.872 0.824 1.000 0.778 CB 1.740 10 residues pruned to eliminate duplicates Z: 14 15.612 2.047 0.187 0.784 1.000 0.692 CB 1.387 14 residues pruned to eliminate duplicates Z: 11 20.733 1.876 0.684 0.871 1.000 0.600 CA 1.514 11 residues pruned to eliminate duplicates Z: 18 19.864 2.089 0.415 0.757 0.882 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 14 18.523 2.134 0.359 0.761 0.923 0.692 CA 1.522 14 residues pruned to eliminate duplicates Z: 11 23.343 1.918 0.817 0.914 1.000 0.300 N 1.498 11 residues pruned to eliminate duplicates Z: 39 51.303 2.327 0.805 0.738 0.947 0.447 CB 1.690 39 residues pruned to eliminate duplicates Z: 54 43.840 2.190 0.668 0.646 0.925 0.698 CB 1.556 55 residues pruned to eliminate duplicates Z: 19 18.008 1.948 0.646 0.783 0.833 0.722 CB 1.238 18 residues pruned to eliminate duplicates Z: 11 19.287 1.915 0.499 0.917 1.000 0.700 CB 1.499 11 residues pruned to eliminate duplicates Z: 11 14.115 1.886 0.452 0.874 0.800 0.700 CA 1.483 11 residues pruned to eliminate duplicates Z: 21 26.392 1.943 0.671 0.929 0.950 0.800 CB 1.339 20 residues pruned to eliminate duplicates Z: 75 55.604 2.199 0.784 0.698 0.919 0.568 CB 1.497 69 residues pruned to eliminate duplicates Z: 23 35.957 2.107 0.734 0.925 0.955 0.955 CA 1.542 23 residues pruned to eliminate duplicates Z: 12 23.889 2.230 0.767 0.910 0.909 0.818 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 15.957 1.757 0.798 0.827 0.818 0.636 CB 1.402 12 residues pruned to eliminate duplicates Z: 11 15.243 1.927 0.475 0.879 1.000 0.900 CB 1.230 11 residues pruned to eliminate duplicates Z: 15 30.028 2.380 0.329 0.866 1.000 0.714 CB 1.859 15 residues pruned to eliminate duplicates Z: 21 29.540 1.964 0.765 0.937 1.000 0.700 CB 1.326 21 residues pruned to eliminate duplicates Z: 20 50.618 2.219 1.174 0.922 1.000 0.316 CB 1.693 20 residues pruned to eliminate duplicates Z: 9 8.904 1.742 0.445 0.848 0.875 0.875 CB 1.060 Z: 14 18.019 2.044 0.608 0.722 0.923 0.615 CB 1.348 14 residues pruned to eliminate duplicates Z: 41 66.068 2.433 0.848 0.729 1.000 0.675 CB 1.891 41 residues pruned to eliminate duplicates Z: 11 14.657 1.858 0.634 0.869 0.800 0.400 CB 1.394 11 residues pruned to eliminate duplicates Z: 12 18.960 2.019 0.619 0.796 1.000 0.727 CB 1.350 11 residues pruned to eliminate duplicates Z: 49 57.329 2.240 0.866 0.802 0.979 0.583 CB 1.552 49 residues pruned to eliminate duplicates Z: 50 53.471 2.229 0.817 0.785 0.959 0.490 CB 1.530 50 residues pruned to eliminate duplicates Z: 16 26.865 2.220 0.497 0.840 0.933 0.600 CB 1.669 16 residues pruned to eliminate duplicates Z: 11 14.544 1.892 0.511 0.877 1.000 0.600 CB 1.168 10 residues pruned to eliminate duplicates Z: 13 17.495 1.988 0.395 0.808 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 11 10.701 1.851 0.425 0.859 0.800 0.700 CB 1.180 11 residues pruned to eliminate duplicates Z: 9 12.254 1.709 0.630 0.839 0.875 0.375 N 1.328 9 residues pruned to eliminate duplicates Z: 12 8.351 1.618 0.284 0.781 0.909 0.545 CB 1.041 12 residues pruned to eliminate duplicates Z: 75 86.094 2.443 0.967 0.699 0.919 0.662 CB 1.891 75 residues pruned to eliminate duplicates Z: 12 10.458 1.705 0.224 0.902 1.000 0.636 CB 1.077 9 residues pruned to eliminate duplicates Z: 11 17.110 2.150 0.759 0.621 0.800 0.300 CB 1.596 11 residues pruned to eliminate duplicates Z: 21 25.598 1.910 0.754 0.941 0.950 0.600 CB 1.248 21 residues pruned to eliminate duplicates Z: 11 21.245 1.903 0.693 0.916 1.000 0.600 CB 1.473 11 residues pruned to eliminate duplicates Z: 18 19.538 2.114 0.502 0.666 0.824 0.706 CB 1.555 18 residues pruned to eliminate duplicates Z: 14 35.531 2.419 0.732 0.935 1.000 0.923 CA 1.638 14 residues pruned to eliminate duplicates Z: 12 17.316 1.783 0.552 0.837 1.000 0.636 N 1.411 12 residues pruned to eliminate duplicates Z: 13 13.966 1.695 0.450 0.922 1.000 0.667 CB 1.153 13 residues pruned to eliminate duplicates Z: 12 9.029 1.871 0.293 0.813 0.909 0.636 CB 0.943 12 residues pruned to eliminate duplicates Z: 13 13.146 1.757 0.220 0.871 1.000 0.833 CB 1.292 13 residues pruned to eliminate duplicates Z: 11 12.470 1.764 0.563 0.903 1.000 0.800 CB 1.020 11 residues pruned to eliminate duplicates Z: 18 19.099 1.968 0.229 0.893 1.000 0.824 CB 1.375 18 residues pruned to eliminate duplicates Z: 13 15.601 1.704 0.584 0.933 1.000 0.750 CB 1.164 13 residues pruned to eliminate duplicates Z: 21 20.181 1.862 0.308 0.914 1.000 0.950 CB 1.310 21 residues pruned to eliminate duplicates Z: 13 14.838 1.733 0.501 0.931 1.000 0.833 CB 1.151 13 residues pruned to eliminate duplicates Z: 13 15.497 1.703 0.454 0.927 1.000 0.750 CB 1.266 13 residues pruned to eliminate duplicates Z: 14 23.576 2.234 0.626 0.771 0.923 0.462 CB 1.534 14 residues pruned to eliminate duplicates Z: 22 25.926 1.883 0.721 0.910 0.952 0.762 CB 1.300 22 residues pruned to eliminate duplicates Z: 18 16.129 1.947 0.409 0.748 0.882 0.471 CB 1.295 18 residues pruned to eliminate duplicates Z: 12 14.191 2.051 0.215 0.737 1.000 0.636 CB 1.388 12 residues pruned to eliminate duplicates Z: 15 47.469 2.346 1.627 0.902 0.929 0.857 CA 1.581 15 residues pruned to eliminate duplicates Z: 12 18.432 1.820 0.689 0.917 0.909 0.545 CB 1.403 11 residues pruned to eliminate duplicates Z: 22 24.191 1.875 0.558 0.910 1.000 0.857 CB 1.282 22 residues pruned to eliminate duplicates Z: 15 39.187 2.355 1.081 0.851 1.000 0.786 CA 1.582 15 residues pruned to eliminate duplicates Z: 13 16.126 2.048 0.234 0.764 1.000 0.750 CB 1.457 13 residues pruned to eliminate duplicates Z: 14 19.823 2.047 0.525 0.901 1.000 1.000 CB 1.257 14 residues pruned to eliminate duplicates Z: 14 25.966 2.106 0.726 0.824 1.000 0.769 CB 1.496 14 residues pruned to eliminate duplicates Z: 14 21.471 2.158 0.559 0.774 0.923 0.769 CB 1.504 14 residues pruned to eliminate duplicates Z: 20 31.717 2.233 0.600 0.896 1.000 0.737 CB 1.459 20 residues pruned to eliminate duplicates Z: 18 25.470 2.000 0.882 0.942 1.000 0.647 CB 1.139 18 residues pruned to eliminate duplicates Z: 12 12.914 1.741 0.334 0.933 1.000 0.909 CB 1.170 12 residues pruned to eliminate duplicates Z: 11 12.159 1.892 0.097 0.854 1.000 0.800 CB 1.368 11 residues pruned to eliminate duplicates Z: 11 17.677 1.865 0.446 0.903 1.000 0.900 CA 1.477 11 residues pruned to eliminate duplicates Z: 11 13.799 1.721 0.664 0.870 1.000 0.800 CB 1.112 11 residues pruned to eliminate duplicates Z: 12 11.344 1.715 0.342 0.904 1.000 0.727 CB 1.058 12 residues pruned to eliminate duplicates Z: 21 29.127 1.938 0.959 0.926 0.950 0.400 CB 1.266 21 residues pruned to eliminate duplicates Z: 16 24.304 2.012 0.458 0.888 1.000 0.733 CB 1.541 16 residues pruned to eliminate duplicates Z: 59 24.013 1.971 0.409 0.545 0.897 0.603 CB 1.211 57 residues pruned to eliminate duplicates Z: 13 10.080 1.661 0.174 0.870 1.000 0.833 CB 1.089 13 residues pruned to eliminate duplicates Z: 8 8.737 1.901 0.605 0.675 0.857 0.429 CB 1.074 8 residues pruned to eliminate duplicates Z: 22 18.308 1.897 0.567 0.588 0.905 0.524 CB 1.366 15 residues pruned to eliminate duplicates Z: 21 20.248 1.941 0.704 0.696 0.850 0.550 CB 1.346 21 residues pruned to eliminate duplicates Z: 18 13.775 1.873 0.270 0.794 0.824 0.588 CB 1.318 18 residues pruned to eliminate duplicates Z: 11 13.983 1.779 0.443 0.922 1.000 0.800 CB 1.211 11 residues pruned to eliminate duplicates Z: 60 48.110 2.194 0.741 0.591 0.932 0.508 CB 1.613 60 residues pruned to eliminate duplicates Z: 39 33.637 2.141 0.787 0.610 0.868 0.684 CB 1.479 39 residues pruned to eliminate duplicates Z: 20 73.748 2.523 1.386 0.953 1.000 0.474 CB 1.935 20 residues pruned to eliminate duplicates Z: 18 18.218 2.027 0.362 0.797 0.941 0.588 CB 1.311 18 residues pruned to eliminate duplicates Z: 19 20.246 1.909 0.346 0.786 1.000 0.611 CB 1.444 18 residues pruned to eliminate duplicates Z: 13 21.606 1.948 0.834 0.931 1.000 0.583 CB 1.220 13 residues pruned to eliminate duplicates Z: 13 16.102 2.054 0.342 0.736 1.000 0.750 CB 1.364 13 residues pruned to eliminate duplicates Z: 15 30.409 2.394 0.913 0.824 0.857 0.643 CA 1.563 15 residues pruned to eliminate duplicates Z: 11 10.613 1.998 0.272 0.853 0.900 0.600 CB 1.084 11 residues pruned to eliminate duplicates Z: 45 32.130 1.906 0.755 0.710 0.932 0.545 CB 1.284 48 residues pruned to eliminate duplicates Z: 8 7.891 1.824 0.550 0.587 0.857 0.571 CB 1.132 8 residues pruned to eliminate duplicates Z: 7 9.104 1.956 0.157 0.692 1.000 0.833 CA 1.377 7 residues pruned to eliminate duplicates Z: 7 4.148 1.477 0.220 0.527 0.833 0.500 N 1.098 Z: 106 78.239 2.292 0.839 0.635 0.924 0.619 CB 1.729 106 residues pruned to eliminate duplicates Z: 13 23.318 2.262 0.369 0.794 1.000 0.667 CA 1.680 13 residues pruned to eliminate duplicates Z: 7 6.344 1.579 0.467 0.858 1.000 0.500 CB 0.823 6 residues pruned to eliminate duplicates Z: 11 13.518 1.815 0.203 0.906 1.000 1.000 CB 1.393 11 residues pruned to eliminate duplicates Z: 13 13.657 1.860 0.331 0.826 1.000 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 21 28.152 1.954 0.795 0.926 1.000 0.700 CB 1.259 21 residues pruned to eliminate duplicates Z: 65 27.576 1.865 0.491 0.591 0.922 0.562 CB 1.232 68 residues pruned to eliminate duplicates Z: 10 13.576 1.902 0.473 0.898 1.000 0.667 CB 1.156 10 residues pruned to eliminate duplicates Z: 13 11.999 2.025 0.223 0.667 0.917 0.583 CB 1.308 13 residues pruned to eliminate duplicates Z: 8 4.963 1.450 0.111 0.885 1.000 0.857 CB 0.841 8 residues pruned to eliminate duplicates Z: 12 12.674 1.717 0.625 0.873 0.909 0.909 CB 1.098 12 residues pruned to eliminate duplicates Z: 10 5.801 1.736 0.419 0.304 0.889 0.444 CB 1.099 10 residues pruned to eliminate duplicates Z: 17 16.604 1.853 0.456 0.819 0.875 0.562 CB 1.333 17 residues pruned to eliminate duplicates Z: 99 67.134 2.265 0.824 0.625 0.867 0.633 CB 1.683 99 residues pruned to eliminate duplicates Z: 98 72.142 2.288 0.814 0.655 0.918 0.557 CB 1.665 98 residues pruned to eliminate duplicates Z: 12 14.072 1.798 0.332 0.919 1.000 0.909 CB 1.249 12 residues pruned to eliminate duplicates Z: 14 17.919 1.997 0.531 0.762 1.000 0.538 CB 1.288 14 residues pruned to eliminate duplicates Z: 7 4.053 1.811 0.123 0.476 0.667 0.500 CB 1.251 7 residues pruned to eliminate duplicates Z: 8 3.274 1.511 0.437 0.292 0.857 0.571 N 0.839 Z: 18 19.435 1.798 0.758 0.888 0.941 0.647 CB 1.141 18 residues pruned to eliminate duplicates Z: 19 15.786 1.931 0.198 0.842 0.889 0.722 CB 1.348 19 residues pruned to eliminate duplicates Z: 6 7.682 1.927 0.161 0.711 1.000 1.000 CB 1.268 6 residues pruned to eliminate duplicates Z: 28 58.071 2.404 1.020 0.745 1.000 0.704 CA 1.848 28 residues pruned to eliminate duplicates Z: 11 18.539 1.867 0.572 0.887 1.000 0.800 CB 1.440 11 residues pruned to eliminate duplicates Z: 61 51.643 2.187 0.869 0.665 0.933 0.517 CB 1.500 61 residues pruned to eliminate duplicates Z: 9 11.344 1.725 0.377 0.920 1.000 0.875 CB 1.189 9 residues pruned to eliminate duplicates Z: 11 18.610 1.750 0.848 0.905 1.000 0.500 CB 1.295 11 residues pruned to eliminate duplicates Z: 12 12.995 1.760 0.250 0.875 1.000 0.818 CB 1.294 12 residues pruned to eliminate duplicates Z: 6 2.172 1.320 0.606 0.264 0.800 0.600 CB 0.750 Z: 12 14.205 1.859 0.253 0.886 1.000 0.909 CB 1.327 12 residues pruned to eliminate duplicates Z: 24 34.341 2.133 0.721 0.903 1.000 0.696 CB 1.391 24 residues pruned to eliminate duplicates Z: 12 15.401 1.776 0.689 0.937 1.000 0.727 CB 1.078 12 residues pruned to eliminate duplicates Z: 7 5.676 1.808 0.193 0.490 0.833 0.667 CB 1.303 7 residues pruned to eliminate duplicates Z: 10 13.422 1.789 0.401 0.859 1.000 0.778 CB 1.314 10 residues pruned to eliminate duplicates Z: 63 75.119 2.424 0.892 0.680 0.952 0.742 CA 1.853 63 residues pruned to eliminate duplicates Z: 18 12.705 1.735 0.341 0.776 0.941 0.588 CB 1.103 18 residues pruned to eliminate duplicates Z: 11 19.160 1.900 0.729 0.912 1.000 0.800 CB 1.307 11 residues pruned to eliminate duplicates Z: 11 9.253 1.743 0.045 0.785 1.000 1.000 CB 1.251 11 residues pruned to eliminate duplicates Z: 11 17.434 1.900 0.560 0.917 0.900 0.700 CB 1.459 11 residues pruned to eliminate duplicates Z: 13 40.692 2.357 1.129 0.918 1.000 0.917 CA 1.650 13 residues pruned to eliminate duplicates Z: 107 61.550 2.217 0.690 0.631 0.849 0.500 CB 1.662 107 residues pruned to eliminate duplicates Z: 12 10.929 1.784 0.123 0.904 1.000 0.909 CB 1.171 12 residues pruned to eliminate duplicates Z: 8 15.329 1.955 0.740 0.787 1.000 0.429 CB 1.324 8 residues pruned to eliminate duplicates Z: 12 9.022 1.917 0.330 0.794 0.636 0.364 CA 1.296 12 residues pruned to eliminate duplicates Z: 13 25.665 2.289 0.487 0.858 0.917 0.750 CB 1.748 13 residues pruned to eliminate duplicates Z: 23 31.093 2.199 0.495 0.911 1.000 0.955 CB 1.429 23 residues pruned to eliminate duplicates Z: 7 7.577 1.617 0.534 0.593 1.000 1.000 CB 1.141 Z: 43 45.839 2.250 0.813 0.545 0.929 0.548 CB 1.786 43 residues pruned to eliminate duplicates Z: 13 16.397 1.708 0.506 0.902 1.000 0.583 CB 1.313 13 residues pruned to eliminate duplicates Z: 10 15.290 1.748 0.753 0.918 1.000 0.556 CB 1.173 10 residues pruned to eliminate duplicates Z: 13 24.289 2.188 0.351 0.842 1.000 0.667 CB 1.767 13 residues pruned to eliminate duplicates Z: 21 24.306 1.900 0.723 0.911 0.950 0.600 CB 1.238 21 residues pruned to eliminate duplicates Z: 12 20.224 1.845 1.002 0.911 1.000 0.727 CB 1.170 12 residues pruned to eliminate duplicates Z: 21 29.347 1.909 1.100 0.955 0.950 0.200 CB 1.184 21 residues pruned to eliminate duplicates Z: 88 58.971 2.185 0.697 0.626 0.931 0.655 CB 1.626 88 residues pruned to eliminate duplicates Z: 12 15.651 1.730 0.502 0.913 1.000 0.818 CB 1.285 12 residues pruned to eliminate duplicates Z: 32 28.097 2.042 0.545 0.683 0.968 0.710 CB 1.397 32 residues pruned to eliminate duplicates Z: 32 50.940 2.272 0.911 0.756 1.000 0.774 CB 1.677 32 residues pruned to eliminate duplicates Z: 30 21.095 1.980 0.485 0.609 0.897 0.621 CB 1.340 30 residues pruned to eliminate duplicates Z: 11 15.208 2.127 0.308 0.736 0.900 0.700 CA 1.554 11 residues pruned to eliminate duplicates Z: 23 41.783 2.214 0.986 0.939 0.955 0.636 CB 1.476 23 residues pruned to eliminate duplicates Z: 10 9.359 1.667 0.350 0.896 1.000 1.000 CB 0.993 10 residues pruned to eliminate duplicates Z: 21 20.594 2.184 0.225 0.563 0.950 0.700 CB 1.704 21 residues pruned to eliminate duplicates Z: 20 77.441 2.500 1.544 0.949 1.000 0.632 CB 1.927 20 residues pruned to eliminate duplicates Z: 6 2.713 1.544 0.499 0.319 0.800 0.400 CB 0.800 Z: 12 32.866 2.334 0.982 0.911 1.000 0.909 CB 1.518 12 residues pruned to eliminate duplicates Z: 20 19.320 1.911 0.415 0.904 1.000 0.684 CB 1.168 20 residues pruned to eliminate duplicates Z: 21 49.229 2.301 0.991 0.934 0.950 0.500 CB 1.764 21 residues pruned to eliminate duplicates Z: 14 8.007 1.974 0.164 0.669 0.692 0.538 CB 1.194 14 residues pruned to eliminate duplicates Z: 66 41.993 2.102 0.699 0.649 0.938 0.538 CB 1.352 66 residues pruned to eliminate duplicates Z: 9 13.731 2.133 0.477 0.761 1.000 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 60 39.132 2.168 0.609 0.578 0.881 0.559 CB 1.536 60 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 18 20.629 1.961 0.473 0.858 0.941 0.647 CB 1.356 18 residues pruned to eliminate duplicates Z: 9 12.875 2.125 0.356 0.759 1.000 0.625 CB 1.255 9 residues pruned to eliminate duplicates Z: 8 12.690 2.232 0.628 0.742 0.714 0.429 CB 1.488 8 residues pruned to eliminate duplicates Z: 108 80.301 2.307 0.803 0.654 0.944 0.645 CB 1.713 108 residues pruned to eliminate duplicates Z: 18 19.878 1.944 0.433 0.831 0.941 0.824 CB 1.381 18 residues pruned to eliminate duplicates Z: 72 50.181 2.209 0.720 0.584 0.915 0.577 CB 1.580 72 residues pruned to eliminate duplicates Z: 101 67.923 2.266 0.735 0.632 0.920 0.660 CB 1.659 101 residues pruned to eliminate duplicates Z: 38 22.775 2.008 0.390 0.601 0.892 0.622 CB 1.366 38 residues pruned to eliminate duplicates Z: 39 19.739 1.995 0.298 0.588 0.868 0.684 CB 1.309 39 residues pruned to eliminate duplicates Z: 37 23.673 2.020 0.360 0.621 0.917 0.583 CB 1.397 37 residues pruned to eliminate duplicates Z: 38 19.166 1.965 0.376 0.588 0.865 0.486 CB 1.238 38 residues pruned to eliminate duplicates Z: 38 22.707 1.955 0.450 0.580 0.919 0.486 CB 1.327 38 residues pruned to eliminate duplicates Z: 110 79.378 2.330 0.736 0.661 0.927 0.651 CB 1.747 110 residues pruned to eliminate duplicates Z: 114 76.570 2.287 0.751 0.646 0.929 0.664 CB 1.688 114 residues pruned to eliminate duplicates Z: 37 23.514 1.964 0.476 0.634 0.861 0.611 CB 1.383 37 residues pruned to eliminate duplicates Z: 113 78.101 2.300 0.745 0.642 0.938 0.688 CB 1.718 113 residues pruned to eliminate duplicates Z: 20 13.637 1.752 0.333 0.664 0.895 0.421 CB 1.286 20 residues pruned to eliminate duplicates Z: 111 80.181 2.316 0.816 0.648 0.918 0.627 CB 1.725 113 residues pruned to eliminate duplicates Z: 15 19.796 2.178 0.273 0.713 1.000 0.857 CA 1.574 15 residues pruned to eliminate duplicates Z: 114 75.055 2.295 0.787 0.640 0.885 0.611 CB 1.707 114 residues pruned to eliminate duplicates Z: 39 23.498 2.008 0.362 0.621 0.895 0.579 CB 1.390 39 residues pruned to eliminate duplicates Z: 113 74.530 2.305 0.670 0.646 0.929 0.679 CB 1.720 113 residues pruned to eliminate duplicates Z: 110 83.637 2.312 0.778 0.672 0.963 0.679 CB 1.726 110 residues pruned to eliminate duplicates Z: 113 77.822 2.309 0.741 0.650 0.929 0.625 CB 1.713 113 residues pruned to eliminate duplicates Z: 48 29.938 2.094 0.536 0.549 0.894 0.574 CB 1.448 48 residues pruned to eliminate duplicates Z: 112 80.786 2.312 0.745 0.650 0.955 0.622 CB 1.730 110 residues pruned to eliminate duplicates Z: 11 14.105 1.896 0.301 0.763 1.000 0.600 CA 1.433 11 residues pruned to eliminate duplicates Z: 53 29.241 1.990 0.570 0.523 0.923 0.577 CB 1.374 53 residues pruned to eliminate duplicates Z: 39 22.530 1.956 0.414 0.579 0.868 0.579 CB 1.410 39 residues pruned to eliminate duplicates Z: 110 82.155 2.324 0.732 0.669 0.945 0.642 CB 1.770 110 residues pruned to eliminate duplicates Z: 14 22.486 2.191 0.347 0.820 1.000 0.615 CA 1.601 14 residues pruned to eliminate duplicates Z: 83 76.752 2.413 0.843 0.642 0.915 0.707 CB 1.824 83 residues pruned to eliminate duplicates Z: 112 72.814 2.308 0.666 0.638 0.919 0.613 CB 1.718 112 residues pruned to eliminate duplicates Z: 114 77.032 2.303 0.785 0.639 0.894 0.558 CB 1.732 114 residues pruned to eliminate duplicates Z: 109 79.865 2.342 0.710 0.673 0.935 0.630 CB 1.749 109 residues pruned to eliminate duplicates Z: 97 79.760 2.336 0.840 0.661 0.938 0.677 CB 1.740 97 residues pruned to eliminate duplicates Z: 111 77.407 2.312 0.693 0.669 0.945 0.636 CB 1.705 111 residues pruned to eliminate duplicates Z: 99 73.271 2.304 0.752 0.625 0.939 0.582 CB 1.736 99 residues pruned to eliminate duplicates Z: 72 51.614 2.203 0.713 0.603 0.930 0.606 CB 1.584 72 residues pruned to eliminate duplicates Z: 114 76.528 2.296 0.700 0.645 0.938 0.602 CB 1.717 114 residues pruned to eliminate duplicates Z: 114 82.930 2.299 0.780 0.658 0.947 0.584 CB 1.739 114 residues pruned to eliminate duplicates Z: 15 39.983 2.449 1.059 0.880 1.000 0.786 CA 1.535 15 residues pruned to eliminate duplicates Z: 43 45.805 2.361 0.858 0.562 0.857 0.524 CB 1.770 43 residues pruned to eliminate duplicates Z: 75 92.495 2.450 0.947 0.709 0.986 0.703 CA 1.890 75 residues pruned to eliminate duplicates Z: 75 83.560 2.448 0.867 0.684 0.946 0.716 CB 1.898 75 residues pruned to eliminate duplicates Z: 92 72.752 2.327 0.761 0.648 0.923 0.703 CB 1.756 92 residues pruned to eliminate duplicates Z: 109 82.511 2.340 0.734 0.669 0.954 0.583 CB 1.755 109 residues pruned to eliminate duplicates Z: 111 76.836 2.307 0.727 0.660 0.927 0.655 CB 1.709 111 residues pruned to eliminate duplicates Z: 113 75.250 2.304 0.708 0.654 0.911 0.679 CB 1.719 113 residues pruned to eliminate duplicates Z: 38 49.517 2.357 0.902 0.561 0.946 0.676 CA 1.810 38 residues pruned to eliminate duplicates Z: 114 80.887 2.286 0.760 0.665 0.956 0.655 CB 1.698 114 residues pruned to eliminate duplicates Z: 24 45.124 2.451 0.991 0.592 0.957 0.696 CB 1.845 24 residues pruned to eliminate duplicates Z: 114 77.146 2.284 0.725 0.660 0.929 0.708 CB 1.709 114 residues pruned to eliminate duplicates Z: 7 8.999 2.157 0.528 0.363 0.833 0.333 CB 1.550 7 residues pruned to eliminate duplicates Z: 113 75.414 2.305 0.743 0.655 0.902 0.705 CB 1.703 113 residues pruned to eliminate duplicates Z: 74 86.611 2.461 0.853 0.707 0.959 0.712 CB 1.921 74 residues pruned to eliminate duplicates Z: 74 52.399 2.247 0.608 0.598 0.959 0.575 CB 1.611 74 residues pruned to eliminate duplicates Z: 77 84.666 2.451 0.924 0.678 0.934 0.711 CB 1.871 77 residues pruned to eliminate duplicates Z: 39 65.933 2.452 0.970 0.752 0.921 0.816 CA 1.920 39 residues pruned to eliminate duplicates Z: 51 68.528 2.419 0.824 0.761 0.920 0.660 CB 1.893 51 residues pruned to eliminate duplicates Z: 110 77.262 2.308 0.728 0.669 0.927 0.606 CB 1.712 110 residues pruned to eliminate duplicates Z: 61 77.431 2.434 0.976 0.681 0.933 0.617 CA 1.885 61 residues pruned to eliminate duplicates Z: 76 82.420 2.433 0.876 0.696 0.947 0.627 CB 1.841 76 residues pruned to eliminate duplicates Z: 111 74.091 2.309 0.689 0.661 0.918 0.682 CB 1.699 111 residues pruned to eliminate duplicates Z: 113 83.113 2.304 0.799 0.665 0.946 0.652 CB 1.719 113 residues pruned to eliminate duplicates Z: 39 71.374 2.441 1.015 0.735 0.974 0.553 CB 1.958 39 residues pruned to eliminate duplicates Z: 111 83.271 2.323 0.777 0.671 0.936 0.664 CB 1.753 111 residues pruned to eliminate duplicates Z: 114 74.775 2.289 0.730 0.646 0.912 0.619 CB 1.701 114 residues pruned to eliminate duplicates Z: 51 61.434 2.367 0.895 0.714 0.920 0.580 CB 1.733 51 residues pruned to eliminate duplicates Z: 82 79.875 2.423 0.915 0.668 0.914 0.617 CB 1.792 82 residues pruned to eliminate duplicates Z: 110 81.766 2.307 0.818 0.657 0.936 0.661 CB 1.725 110 residues pruned to eliminate duplicates Z: 114 72.248 2.285 0.643 0.653 0.920 0.673 CB 1.706 114 residues pruned to eliminate duplicates Z: 47 52.339 2.329 0.795 0.706 0.891 0.587 CB 1.717 47 residues pruned to eliminate duplicates Z: 38 54.838 2.396 0.939 0.672 0.919 0.595 CB 1.802 38 residues pruned to eliminate duplicates Z: 95 75.040 2.364 0.805 0.630 0.894 0.585 CB 1.796 95 residues pruned to eliminate duplicates Z: 74 81.141 2.422 0.940 0.688 0.904 0.644 CB 1.882 74 residues pruned to eliminate duplicates Z: 39 47.800 2.380 0.860 0.653 0.868 0.500 CB 1.750 39 residues pruned to eliminate duplicates Z: 45 80.271 2.519 0.905 0.792 0.977 0.705 CB 1.997 45 residues pruned to eliminate duplicates Z: 35 46.016 2.355 0.702 0.704 0.912 0.706 CB 1.794 35 residues pruned to eliminate duplicates Z: 53 73.772 2.409 0.837 0.766 0.962 0.615 CB 1.899 53 residues pruned to eliminate duplicates Z: 76 82.428 2.395 0.935 0.690 0.947 0.560 CB 1.823 76 residues pruned to eliminate duplicates Z: 37 65.361 2.455 1.039 0.766 0.889 0.583 CB 1.934 37 residues pruned to eliminate duplicates Z: 62 76.877 2.381 1.098 0.651 0.934 0.492 CB 1.833 62 residues pruned to eliminate duplicates Z: 38 54.829 2.368 0.990 0.682 0.919 0.459 CB 1.761 25 residues pruned to eliminate duplicates Z: 20 77.596 2.573 1.471 0.942 1.000 0.579 CA 1.942 20 residues pruned to eliminate duplicates Z: 38 54.970 2.362 0.940 0.678 0.946 0.595 CB 1.769 36 residues pruned to eliminate duplicates Z: 21 75.906 2.474 1.600 0.919 1.000 0.200 CA 1.860 21 residues pruned to eliminate duplicates Z: 38 54.572 2.361 0.916 0.719 0.892 0.649 CB 1.824 36 residues pruned to eliminate duplicates Z: 23 61.077 2.490 1.280 0.791 0.955 0.227 CA 1.861 23 residues pruned to eliminate duplicates Z: 107 80.787 2.315 0.791 0.656 0.943 0.632 CB 1.735 107 residues pruned to eliminate duplicates Z: 63 76.085 2.413 0.930 0.679 0.952 0.742 CB 1.851 63 residues pruned to eliminate duplicates Z: 111 74.758 2.300 0.727 0.654 0.909 0.618 CB 1.711 111 residues pruned to eliminate duplicates Z: 37 66.009 2.408 1.049 0.738 0.972 0.583 CB 1.852 37 residues pruned to eliminate duplicates Z: 37 58.708 2.350 0.934 0.727 0.944 0.583 CA 1.857 37 residues pruned to eliminate duplicates Z: 37 60.190 2.423 0.990 0.686 0.944 0.472 CB 1.857 31 residues pruned to eliminate duplicates Z: 17 29.672 2.198 0.437 0.864 1.000 0.688 CB 1.723 17 residues pruned to eliminate duplicates Z: 75 92.111 2.436 0.946 0.724 0.973 0.743 CB 1.897 75 residues pruned to eliminate duplicates Z: 13 21.394 2.196 0.465 0.780 0.917 0.667 CB 1.637 13 residues pruned to eliminate duplicates Z: 74 80.913 2.409 0.858 0.710 0.932 0.699 CB 1.878 74 residues pruned to eliminate duplicates Z: 40 61.853 2.403 0.991 0.720 0.949 0.667 CB 1.788 34 residues pruned to eliminate duplicates Z: 16 25.821 2.289 0.307 0.866 0.933 0.667 CB 1.747 16 residues pruned to eliminate duplicates Z: 37 54.068 2.360 0.985 0.695 0.917 0.444 CB 1.756 37 residues pruned to eliminate duplicates Z: 39 55.181 2.366 1.039 0.673 0.895 0.605 CB 1.769 39 residues pruned to eliminate duplicates Z: 113 81.062 2.308 0.790 0.655 0.929 0.518 CB 1.728 113 residues pruned to eliminate duplicates Z: 38 58.722 2.389 0.978 0.687 0.973 0.514 CB 1.768 33 residues pruned to eliminate duplicates Z: 12 24.430 2.285 0.791 0.675 0.909 0.636 CB 1.684 12 residues pruned to eliminate duplicates Z: 21 17.879 1.868 0.466 0.739 0.950 0.700 CB 1.241 21 residues pruned to eliminate duplicates Z: 11 15.972 1.793 0.711 0.858 1.000 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 32 23.844 1.946 0.327 0.812 0.968 0.806 CB 1.306 32 residues pruned to eliminate duplicates Z: 24 18.097 1.906 0.451 0.733 0.913 0.609 CB 1.212 24 residues pruned to eliminate duplicates Z: 30 24.987 1.947 0.515 0.796 0.966 0.621 CB 1.258 30 residues pruned to eliminate duplicates Z: 35 25.036 1.812 0.536 0.805 0.941 0.853 CB 1.256 33 residues pruned to eliminate duplicates Z: 12 14.781 1.722 0.648 0.904 1.000 0.818 CB 1.118 14 residues pruned to eliminate duplicates Z: 11 13.762 1.878 0.495 0.843 1.000 0.900 CB 1.155 11 residues pruned to eliminate duplicates Z: 11 13.717 1.869 0.535 0.854 1.000 0.900 CB 1.117 11 residues pruned to eliminate duplicates Z: 12 11.468 1.878 0.316 0.685 1.000 0.636 CB 1.180 12 residues pruned to eliminate duplicates Z: 20 18.807 1.976 0.357 0.720 1.000 0.684 CB 1.319 20 residues pruned to eliminate duplicates Z: 29 23.185 1.948 0.393 0.806 1.000 0.750 CB 1.237 29 residues pruned to eliminate duplicates Z: 30 23.348 1.951 0.404 0.823 0.966 0.759 CB 1.240 30 residues pruned to eliminate duplicates Z: 31 21.992 1.804 0.497 0.690 0.967 0.567 CB 1.293 31 residues pruned to eliminate duplicates Z: 29 28.351 1.977 0.580 0.820 1.000 0.679 CB 1.299 29 residues pruned to eliminate duplicates Z: 34 28.345 1.930 0.643 0.812 0.970 0.667 CB 1.223 34 residues pruned to eliminate duplicates Z: 32 24.962 1.916 0.532 0.802 0.968 0.677 CB 1.211 32 residues pruned to eliminate duplicates Z: 32 27.963 1.931 0.642 0.825 0.935 0.677 CB 1.279 32 residues pruned to eliminate duplicates Z: 33 29.505 1.923 0.616 0.841 1.000 0.656 CB 1.251 33 residues pruned to eliminate duplicates Z: 28 22.322 1.905 0.685 0.714 0.889 0.630 CB 1.240 28 residues pruned to eliminate duplicates Z: 32 31.314 1.952 0.668 0.835 1.000 0.677 CB 1.294 32 residues pruned to eliminate duplicates Z: 32 33.606 1.956 0.757 0.838 1.000 0.677 CB 1.313 33 residues pruned to eliminate duplicates Z: 18 25.495 2.018 0.816 0.938 0.941 0.706 CB 1.247 18 residues pruned to eliminate duplicates Z: 34 31.270 1.907 0.809 0.830 0.970 0.636 CB 1.223 33 residues pruned to eliminate duplicates Z: 16 21.974 1.899 0.826 0.939 0.933 0.867 CB 1.218 16 residues pruned to eliminate duplicates Z: 34 28.886 1.891 0.662 0.823 0.970 0.606 CB 1.247 34 residues pruned to eliminate duplicates Z: 33 33.686 1.936 0.801 0.845 1.000 0.562 CB 1.270 33 residues pruned to eliminate duplicates Z: 32 34.474 1.950 0.798 0.856 1.000 0.710 CB 1.302 32 residues pruned to eliminate duplicates Z: 32 32.450 1.945 0.874 0.830 0.935 0.484 CB 1.285 32 residues pruned to eliminate duplicates Z: 49 34.090 1.955 0.719 0.727 0.917 0.396 CB 1.302 50 residues pruned to eliminate duplicates Z: 20 26.047 1.944 1.194 0.890 0.789 0.421 CB 1.277 20 residues pruned to eliminate duplicates Z: 44 30.078 1.929 0.736 0.698 0.930 0.558 CB 1.230 44 residues pruned to eliminate duplicates Z: 60 35.514 1.904 0.744 0.722 0.915 0.475 CB 1.245 60 residues pruned to eliminate duplicates Z: 43 29.681 1.906 0.726 0.765 0.929 0.500 CB 1.185 43 residues pruned to eliminate duplicates Z: 33 19.242 1.902 0.656 0.615 0.875 0.312 CB 1.107 40 residues pruned to eliminate duplicates Z: 20 15.151 1.892 0.436 0.507 0.947 0.421 CB 1.340 20 residues pruned to eliminate duplicates Z: 27 14.056 1.885 0.447 0.683 0.769 0.500 CB 1.111 27 residues pruned to eliminate duplicates Z: 18 9.810 1.926 0.316 0.571 0.765 0.353 CB 1.147 18 residues pruned to eliminate duplicates Z: 16 12.276 1.981 0.311 0.589 0.867 0.333 CB 1.292 16 residues pruned to eliminate duplicates Z: 13 10.503 2.052 0.227 0.532 0.917 0.500 CB 1.274 13 residues pruned to eliminate duplicates Z: 54 30.233 1.885 0.571 0.693 0.925 0.415 CB 1.271 54 residues pruned to eliminate duplicates Z: 21 14.220 1.893 0.298 0.497 0.900 0.500 CB 1.443 21 residues pruned to eliminate duplicates Z: 20 19.277 1.852 0.541 0.592 1.000 0.579 CA 1.419 20 residues pruned to eliminate duplicates Z: 47 26.627 1.864 0.634 0.665 0.891 0.543 CB 1.241 47 residues pruned to eliminate duplicates Z: 56 36.806 1.941 0.681 0.685 0.982 0.473 CB 1.307 56 residues pruned to eliminate duplicates Z: 19 18.480 1.951 0.585 0.603 0.944 0.611 CB 1.352 19 residues pruned to eliminate duplicates Z: 49 35.158 1.925 0.717 0.710 1.000 0.417 CB 1.269 48 residues pruned to eliminate duplicates Z: 8 3.705 1.700 0.198 0.252 0.714 0.571 CB 1.280 8 residues pruned to eliminate duplicates Z: 56 20.984 1.847 0.436 0.537 0.818 0.509 CB 1.257 56 residues pruned to eliminate duplicates Z: 44 32.756 1.983 0.577 0.713 0.953 0.744 CB 1.381 44 residues pruned to eliminate duplicates Z: 59 30.695 1.885 0.666 0.683 0.897 0.534 CB 1.210 59 residues pruned to eliminate duplicates Z: 60 37.613 1.914 0.674 0.751 0.932 0.576 CB 1.310 60 residues pruned to eliminate duplicates Z: 59 37.209 1.927 0.811 0.697 0.897 0.448 CB 1.304 59 residues pruned to eliminate duplicates Z: 56 29.195 1.946 0.546 0.572 0.945 0.600 CB 1.291 56 residues pruned to eliminate duplicates Z: 48 31.555 1.906 0.750 0.747 0.894 0.383 CB 1.238 48 residues pruned to eliminate duplicates Z: 52 25.648 1.925 0.421 0.609 0.922 0.451 CB 1.285 52 residues pruned to eliminate duplicates Z: 63 40.099 1.923 0.732 0.745 0.952 0.597 CB 1.291 63 residues pruned to eliminate duplicates Z: 14 15.412 1.840 0.614 0.702 0.923 0.846 CB 1.297 14 residues pruned to eliminate duplicates Z: 62 32.202 1.872 0.612 0.669 0.918 0.607 CB 1.273 62 residues pruned to eliminate duplicates Z: 65 41.041 1.911 0.732 0.733 0.938 0.594 CB 1.341 65 residues pruned to eliminate duplicates Z: 13 14.128 1.800 0.602 0.732 0.917 0.417 CB 1.253 13 residues pruned to eliminate duplicates Z: 56 27.702 1.931 0.507 0.639 0.909 0.527 CB 1.240 56 residues pruned to eliminate duplicates Z: 26 18.345 1.996 0.398 0.693 0.920 0.560 CB 1.198 26 residues pruned to eliminate duplicates Z: 28 15.380 1.946 0.458 0.613 0.815 0.556 CB 1.151 28 residues pruned to eliminate duplicates Z: 76 32.385 1.920 0.449 0.630 0.947 0.453 CB 1.257 76 residues pruned to eliminate duplicates Z: 89 43.716 1.941 0.630 0.706 0.943 0.455 CB 1.295 89 residues pruned to eliminate duplicates Z: 79 40.214 1.919 0.702 0.698 0.936 0.551 CB 1.244 79 residues pruned to eliminate duplicates Z: 41 22.882 1.971 0.383 0.619 0.950 0.575 CB 1.248 41 residues pruned to eliminate duplicates Z: 59 27.899 1.927 0.444 0.658 0.897 0.552 CB 1.269 59 residues pruned to eliminate duplicates Z: 83 39.144 1.921 0.648 0.678 0.927 0.476 CB 1.251 83 residues pruned to eliminate duplicates Z: 86 33.563 1.876 0.574 0.609 0.929 0.529 CB 1.197 86 residues pruned to eliminate duplicates Z: 27 19.325 1.983 0.390 0.665 0.962 0.538 CB 1.228 27 residues pruned to eliminate duplicates Z: 93 35.130 1.896 0.555 0.667 0.880 0.478 CB 1.210 93 residues pruned to eliminate duplicates Z: 60 30.368 1.924 0.469 0.632 0.966 0.508 CB 1.279 60 residues pruned to eliminate duplicates Z: 19 17.326 2.014 0.361 0.712 0.944 0.500 CB 1.301 19 residues pruned to eliminate duplicates Z: 25 15.860 1.999 0.269 0.687 0.875 0.500 CB 1.229 25 residues pruned to eliminate duplicates Z: 26 16.087 1.987 0.382 0.677 0.840 0.600 CB 1.186 26 residues pruned to eliminate duplicates Z: 28 15.519 1.962 0.365 0.614 0.852 0.593 CB 1.176 28 residues pruned to eliminate duplicates Z: 11 13.122 1.948 0.187 0.795 1.000 0.700 CB 1.386 11 residues pruned to eliminate duplicates Z: 50 25.316 1.981 0.485 0.588 0.898 0.571 CB 1.258 50 residues pruned to eliminate duplicates Z: 103 38.582 1.916 0.538 0.661 0.931 0.539 CB 1.198 103 residues pruned to eliminate duplicates Z: 19 14.863 1.966 0.459 0.676 0.889 0.556 CB 1.168 19 residues pruned to eliminate duplicates Z: 22 12.545 1.918 0.296 0.617 0.857 0.571 CB 1.151 22 residues pruned to eliminate duplicates Z: 41 19.472 1.970 0.360 0.572 0.875 0.450 CB 1.226 41 residues pruned to eliminate duplicates Z: 119 52.696 2.104 0.555 0.657 0.924 0.695 CB 1.387 119 residues pruned to eliminate duplicates Z: 67 29.702 2.037 0.429 0.574 0.924 0.591 CB 1.266 67 residues pruned to eliminate duplicates Z: 42 20.179 1.945 0.307 0.584 0.927 0.463 CB 1.234 42 residues pruned to eliminate duplicates Z: 30 18.840 1.924 0.267 0.607 1.000 0.586 CB 1.296 30 residues pruned to eliminate duplicates Z: 63 29.301 1.965 0.446 0.618 0.935 0.548 CB 1.252 63 residues pruned to eliminate duplicates Z: 76 26.998 1.888 0.380 0.579 0.893 0.520 CB 1.241 76 residues pruned to eliminate duplicates Z: 106 36.451 1.927 0.539 0.627 0.886 0.524 CB 1.202 106 residues pruned to eliminate duplicates Z: 16 12.231 1.971 0.225 0.612 1.000 0.733 CB 1.176 16 residues pruned to eliminate duplicates Z: 103 39.142 1.913 0.526 0.631 0.941 0.490 CB 1.248 103 residues pruned to eliminate duplicates Z: 30 16.260 1.951 0.222 0.583 0.966 0.690 CB 1.211 30 residues pruned to eliminate duplicates Z: 80 35.359 2.014 0.499 0.603 0.924 0.570 CB 1.293 80 residues pruned to eliminate duplicates Z: 81 30.048 1.906 0.380 0.581 0.925 0.525 CB 1.277 81 residues pruned to eliminate duplicates Z: 85 53.138 2.206 0.586 0.673 0.940 0.726 CB 1.503 85 residues pruned to eliminate duplicates Z: 94 37.056 1.909 0.594 0.631 0.882 0.505 CB 1.266 94 residues pruned to eliminate duplicates Z: 15 9.956 1.917 0.119 0.618 1.000 0.571 CB 1.110 15 residues pruned to eliminate duplicates Z: 44 20.232 1.980 0.377 0.588 0.884 0.465 CB 1.177 44 residues pruned to eliminate duplicates Z: 37 26.225 2.106 0.583 0.606 0.944 0.583 CB 1.255 37 residues pruned to eliminate duplicates Z: 14 15.410 2.113 0.269 0.739 0.923 0.692 CB 1.394 14 residues pruned to eliminate duplicates Z: 37 22.584 1.972 0.438 0.622 0.944 0.639 CB 1.253 37 residues pruned to eliminate duplicates Z: 35 28.956 2.137 0.579 0.641 0.971 0.559 CB 1.329 35 residues pruned to eliminate duplicates Z: 24 14.563 1.921 0.409 0.454 0.826 0.522 CB 1.424 24 residues pruned to eliminate duplicates Z: 33 27.804 2.100 0.729 0.629 0.906 0.719 CB 1.322 33 residues pruned to eliminate duplicates Z: 38 24.037 2.105 0.437 0.599 0.919 0.649 CB 1.293 38 residues pruned to eliminate duplicates Z: 105 52.835 2.098 0.593 0.652 0.942 0.712 CB 1.428 105 residues pruned to eliminate duplicates Z: 99 35.616 1.973 0.461 0.598 0.918 0.531 CB 1.238 99 residues pruned to eliminate duplicates Z: 102 50.912 2.115 0.579 0.658 0.931 0.683 CB 1.407 102 residues pruned to eliminate duplicates Z: 34 25.004 2.150 0.583 0.644 0.879 0.636 CB 1.272 34 residues pruned to eliminate duplicates Z: 39 23.863 2.065 0.560 0.577 0.895 0.579 CB 1.247 39 residues pruned to eliminate duplicates Z: 66 29.812 2.022 0.552 0.585 0.892 0.477 CB 1.217 66 residues pruned to eliminate duplicates Z: 21 21.773 2.122 0.897 0.654 0.800 0.650 CB 1.311 21 residues pruned to eliminate duplicates Z: 33 27.228 2.129 0.601 0.621 0.938 0.562 CB 1.343 33 residues pruned to eliminate duplicates Z: 52 29.645 2.043 0.544 0.592 0.941 0.588 CB 1.280 52 residues pruned to eliminate duplicates Z: 22 24.420 2.134 0.809 0.629 0.905 0.714 CB 1.351 22 residues pruned to eliminate duplicates Z: 52 28.666 2.037 0.535 0.567 0.941 0.510 CB 1.278 52 residues pruned to eliminate duplicates Z: 24 25.004 2.133 0.758 0.544 0.957 0.609 CB 1.393 24 residues pruned to eliminate duplicates Z: 37 28.052 2.113 0.660 0.598 0.944 0.528 CB 1.285 37 residues pruned to eliminate duplicates Z: 98 38.525 1.982 0.561 0.618 0.907 0.557 CB 1.247 98 residues pruned to eliminate duplicates Z: 43 26.514 2.038 0.592 0.560 0.929 0.500 CB 1.281 43 residues pruned to eliminate duplicates Z: 26 23.691 2.074 0.771 0.576 0.920 0.640 CB 1.303 26 residues pruned to eliminate duplicates Z: 100 35.952 1.966 0.442 0.590 0.929 0.525 CB 1.258 100 residues pruned to eliminate duplicates Z: 41 24.073 2.054 0.589 0.543 0.850 0.550 CB 1.316 41 residues pruned to eliminate duplicates Z: 23 23.914 2.118 0.836 0.570 0.909 0.545 CB 1.348 23 residues pruned to eliminate duplicates Z: 99 36.812 1.978 0.463 0.583 0.918 0.541 CB 1.292 99 residues pruned to eliminate duplicates Z: 85 48.162 2.174 0.627 0.643 0.929 0.595 CB 1.400 85 residues pruned to eliminate duplicates Z: 87 57.509 2.210 0.702 0.695 0.942 0.651 CB 1.465 87 residues pruned to eliminate duplicates Z: 86 59.409 2.195 0.724 0.677 0.953 0.694 CB 1.519 89 residues pruned to eliminate duplicates Z: 13 12.627 1.797 0.383 0.791 0.917 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 49 55.954 2.263 0.774 0.767 0.979 0.812 CB 1.622 49 residues pruned to eliminate duplicates Z: 53 51.923 2.235 0.643 0.764 0.962 0.769 CB 1.613 52 residues pruned to eliminate duplicates Z: 10 15.473 1.924 0.515 0.920 1.000 0.889 CB 1.246 10 residues pruned to eliminate duplicates Z: 50 56.906 2.232 0.740 0.798 1.000 0.755 CB 1.613 49 residues pruned to eliminate duplicates Z: 12 14.269 1.872 0.218 0.897 1.000 0.909 CB 1.351 12 residues pruned to eliminate duplicates Z: 49 59.832 2.277 0.793 0.826 0.979 0.833 CB 1.629 49 residues pruned to eliminate duplicates Z: 52 50.724 2.258 0.637 0.727 0.980 0.765 CB 1.597 52 residues pruned to eliminate duplicates Z: 55 53.914 2.205 0.768 0.737 0.963 0.741 CB 1.579 55 residues pruned to eliminate duplicates Z: 51 54.888 2.260 0.817 0.744 0.960 0.680 CB 1.583 51 residues pruned to eliminate duplicates Z: 70 60.362 2.248 0.815 0.726 0.942 0.725 CB 1.543 70 residues pruned to eliminate duplicates Z: 53 51.049 2.235 0.726 0.750 0.942 0.788 CB 1.558 53 residues pruned to eliminate duplicates Z: 106 56.641 2.098 0.731 0.663 0.943 0.676 CB 1.388 105 residues pruned to eliminate duplicates Z: 21 58.708 2.343 1.116 0.944 1.000 0.550 CB 1.834 21 residues pruned to eliminate duplicates Z: 30 29.958 2.071 0.774 0.638 0.931 0.414 CB 1.429 30 residues pruned to eliminate duplicates Z: 147 54.474 2.043 0.611 0.638 0.904 0.555 CB 1.331 147 residues pruned to eliminate duplicates Z: 50 53.986 2.265 0.803 0.729 0.959 0.612 CB 1.601 50 residues pruned to eliminate duplicates Z: 49 55.152 2.265 0.865 0.792 0.938 0.667 CB 1.556 49 residues pruned to eliminate duplicates Z: 88 58.572 2.209 0.776 0.696 0.920 0.621 CB 1.455 88 residues pruned to eliminate duplicates Z: 150 55.537 2.038 0.612 0.611 0.919 0.530 CB 1.355 150 residues pruned to eliminate duplicates Z: 87 59.379 2.207 0.802 0.678 0.942 0.581 CB 1.450 87 residues pruned to eliminate duplicates Z: 38 54.997 2.320 0.950 0.758 0.919 0.703 CB 1.728 38 residues pruned to eliminate duplicates Z: 53 56.384 2.227 0.855 0.743 0.962 0.692 CB 1.583 53 residues pruned to eliminate duplicates Z: 50 48.488 2.176 0.898 0.677 0.918 0.653 CB 1.551 50 residues pruned to eliminate duplicates Z: 73 57.404 2.211 0.799 0.709 0.931 0.611 CB 1.512 73 residues pruned to eliminate duplicates Z: 42 42.796 2.203 0.723 0.666 0.951 0.561 CB 1.588 42 residues pruned to eliminate duplicates Z: 50 56.573 2.249 0.854 0.802 0.939 0.694 CB 1.585 50 residues pruned to eliminate duplicates Z: 53 52.272 2.213 0.755 0.740 0.962 0.615 CB 1.565 53 residues pruned to eliminate duplicates Z: 73 59.864 2.222 0.830 0.687 0.958 0.653 CB 1.525 73 residues pruned to eliminate duplicates Z: 87 58.896 2.211 0.764 0.692 0.919 0.581 CB 1.487 87 residues pruned to eliminate duplicates Z: 50 55.369 2.254 0.891 0.741 0.959 0.633 CB 1.560 50 residues pruned to eliminate duplicates Z: 88 58.895 2.188 0.728 0.699 0.943 0.609 CB 1.479 88 residues pruned to eliminate duplicates Z: 150 58.410 2.065 0.592 0.654 0.913 0.597 CB 1.383 150 residues pruned to eliminate duplicates Z: 49 59.680 2.283 0.891 0.799 0.958 0.688 CB 1.604 49 residues pruned to eliminate duplicates Z: 167 62.341 2.049 0.666 0.662 0.922 0.530 CB 1.323 167 residues pruned to eliminate duplicates Z: 51 55.610 2.251 0.862 0.773 0.960 0.500 CB 1.536 51 residues pruned to eliminate duplicates Z: 48 60.748 2.268 0.942 0.828 0.979 0.638 CB 1.548 48 residues pruned to eliminate duplicates Z: 53 56.805 2.249 0.869 0.758 0.962 0.673 CB 1.549 53 residues pruned to eliminate duplicates Z: 52 52.731 2.227 0.808 0.755 0.941 0.627 CB 1.553 52 residues pruned to eliminate duplicates Z: 46 58.149 2.310 0.882 0.826 0.956 0.578 CB 1.574 46 residues pruned to eliminate duplicates Z: 48 61.450 2.273 1.007 0.807 0.957 0.553 CB 1.571 48 residues pruned to eliminate duplicates Z: 102 60.245 2.142 0.737 0.680 0.950 0.554 CB 1.438 102 residues pruned to eliminate duplicates Z: 69 54.471 2.222 0.777 0.662 0.941 0.603 CB 1.530 69 residues pruned to eliminate duplicates Z: 48 66.257 2.294 0.974 0.816 1.000 0.723 CB 1.622 50 residues pruned to eliminate duplicates Z: 14 26.781 2.127 0.935 0.780 0.923 0.692 CB 1.528 14 residues pruned to eliminate duplicates Z: 66 43.983 2.112 0.547 0.727 0.954 0.692 CB 1.428 66 residues pruned to eliminate duplicates Z: 66 44.429 2.138 0.440 0.742 0.969 0.754 CB 1.487 66 residues pruned to eliminate duplicates Z: 67 47.297 2.127 0.620 0.728 0.955 0.803 CB 1.441 67 residues pruned to eliminate duplicates Z: 13 16.326 1.740 0.557 0.916 1.000 0.750 CB 1.228 13 residues pruned to eliminate duplicates Z: 13 13.686 1.750 0.281 0.937 1.000 1.000 CB 1.226 13 residues pruned to eliminate duplicates Z: 67 50.879 2.133 0.667 0.745 0.970 0.803 CB 1.459 67 residues pruned to eliminate duplicates Z: 13 14.234 1.744 0.351 0.917 1.000 0.750 CB 1.231 13 residues pruned to eliminate duplicates Z: 66 51.133 2.142 0.680 0.738 0.985 0.692 CB 1.446 67 residues pruned to eliminate duplicates Z: 13 15.038 1.738 0.487 0.899 0.917 0.750 CB 1.310 13 residues pruned to eliminate duplicates Z: 66 44.394 2.109 0.552 0.730 0.938 0.677 CB 1.458 66 residues pruned to eliminate duplicates Z: 67 46.428 2.113 0.526 0.748 0.955 0.788 CB 1.488 67 residues pruned to eliminate duplicates Z: 66 46.995 2.131 0.552 0.755 0.954 0.738 CB 1.472 66 residues pruned to eliminate duplicates Z: 67 54.295 2.126 0.733 0.740 0.985 0.758 CB 1.485 67 residues pruned to eliminate duplicates Z: 13 23.317 2.265 0.420 0.922 1.000 0.667 CB 1.471 13 residues pruned to eliminate duplicates Z: 92 41.647 1.998 0.480 0.705 0.934 0.593 CB 1.311 92 residues pruned to eliminate duplicates Z: 67 50.588 2.118 0.660 0.737 0.985 0.682 CB 1.454 67 residues pruned to eliminate duplicates Z: 67 52.788 2.118 0.796 0.711 0.970 0.697 CB 1.455 67 residues pruned to eliminate duplicates Z: 66 50.770 2.141 0.735 0.733 0.954 0.662 CB 1.442 66 residues pruned to eliminate duplicates Z: 69 50.251 2.081 0.721 0.705 0.956 0.632 CB 1.478 69 residues pruned to eliminate duplicates Z: 87 53.377 2.043 0.806 0.707 0.930 0.558 CB 1.389 87 residues pruned to eliminate duplicates Z: 65 54.842 2.161 0.752 0.753 0.984 0.641 CB 1.468 66 residues pruned to eliminate duplicates Z: 24 38.063 2.209 0.974 0.877 0.913 0.348 CB 1.447 24 residues pruned to eliminate duplicates Z: 83 48.309 2.021 0.639 0.726 0.927 0.524 CB 1.417 83 residues pruned to eliminate duplicates Z: 68 50.249 2.114 0.725 0.729 0.940 0.687 CB 1.457 68 residues pruned to eliminate duplicates Z: 67 49.342 2.123 0.709 0.726 0.939 0.652 CB 1.454 67 residues pruned to eliminate duplicates Z: 22 44.758 2.310 1.172 0.939 0.952 0.381 CB 1.420 22 residues pruned to eliminate duplicates Z: 66 50.622 2.117 0.780 0.744 0.954 0.631 CB 1.404 66 residues pruned to eliminate duplicates Z: 21 34.430 2.311 0.941 0.927 0.850 0.400 CB 1.415 21 residues pruned to eliminate duplicates Z: 60 42.315 2.113 0.705 0.699 0.915 0.542 CB 1.393 57 residues pruned to eliminate duplicates Z: 23 43.121 2.265 1.235 0.893 0.909 0.409 CB 1.434 23 residues pruned to eliminate duplicates Z: 66 50.921 2.136 0.665 0.743 0.969 0.585 CB 1.474 66 residues pruned to eliminate duplicates Z: 54 51.926 2.214 0.849 0.729 0.943 0.585 CB 1.503 54 residues pruned to eliminate duplicates Z: 51 45.669 2.167 0.805 0.718 0.920 0.460 CB 1.473 51 residues pruned to eliminate duplicates Z: 66 52.356 2.129 0.785 0.743 0.938 0.538 CB 1.465 66 residues pruned to eliminate duplicates Z: 69 47.581 2.089 0.672 0.729 0.941 0.574 CB 1.429 69 residues pruned to eliminate duplicates Z: 40 35.784 2.184 0.624 0.650 0.923 0.641 CB 1.522 40 residues pruned to eliminate duplicates Z: 66 47.043 2.138 0.635 0.743 0.908 0.600 CB 1.480 69 residues pruned to eliminate duplicates Z: 14 20.618 2.154 0.323 0.790 1.000 0.846 CB 1.556 14 residues pruned to eliminate duplicates Z: 66 55.889 2.153 0.781 0.744 0.969 0.585 CB 1.500 66 residues pruned to eliminate duplicates Z: 67 49.392 2.139 0.678 0.734 0.939 0.621 CB 1.462 67 residues pruned to eliminate duplicates Z: 69 47.855 2.088 0.672 0.719 0.941 0.574 CB 1.449 69 residues pruned to eliminate duplicates Z: 67 53.331 2.135 0.714 0.750 0.970 0.636 CB 1.480 67 residues pruned to eliminate duplicates Z: 66 50.199 2.139 0.675 0.733 0.938 0.692 CB 1.502 66 residues pruned to eliminate duplicates Z: 68 49.835 2.106 0.685 0.728 0.955 0.612 CB 1.462 68 residues pruned to eliminate duplicates Z: 66 54.002 2.153 0.728 0.738 0.969 0.585 CB 1.501 66 residues pruned to eliminate duplicates Z: 18 25.470 2.204 0.606 0.686 0.882 0.647 CB 1.667 18 residues pruned to eliminate duplicates Z: 65 53.758 2.153 0.703 0.761 0.984 0.656 CB 1.476 65 residues pruned to eliminate duplicates Z: 69 50.876 2.095 0.718 0.725 0.956 0.574 CB 1.464 69 residues pruned to eliminate duplicates Z: 65 50.140 2.089 0.726 0.717 0.938 0.562 CB 1.523 65 residues pruned to eliminate duplicates Z: 67 52.102 2.125 0.698 0.760 0.955 0.606 CB 1.477 67 residues pruned to eliminate duplicates Z: 66 56.551 2.139 0.732 0.774 0.985 0.631 CB 1.510 66 residues pruned to eliminate duplicates Z: 66 57.123 2.144 0.770 0.771 0.985 0.585 CB 1.493 66 residues pruned to eliminate duplicates Z: 21 20.055 2.071 0.496 0.589 0.950 0.700 CB 1.400 21 residues pruned to eliminate duplicates Z: 69 52.476 2.086 0.720 0.746 0.971 0.632 CB 1.467 69 residues pruned to eliminate duplicates Z: 12 20.380 1.914 0.601 0.818 1.000 0.727 CB 1.521 12 residues pruned to eliminate duplicates Z: 66 55.073 2.137 0.788 0.745 0.969 0.585 CB 1.481 66 residues pruned to eliminate duplicates Z: 66 54.570 2.140 0.727 0.767 0.985 0.585 CB 1.469 66 residues pruned to eliminate duplicates Z: 66 52.928 2.142 0.728 0.759 0.938 0.585 CB 1.501 66 residues pruned to eliminate duplicates Z: 11 19.546 1.906 0.699 0.896 0.900 0.600 CB 1.520 11 residues pruned to eliminate duplicates Z: 11 20.175 1.934 0.693 0.890 0.900 0.700 CB 1.557 11 residues pruned to eliminate duplicates Z: 64 47.728 2.111 0.672 0.745 0.921 0.587 CB 1.487 64 residues pruned to eliminate duplicates Z: 32 34.564 2.117 0.636 0.690 0.968 0.710 CB 1.556 32 residues pruned to eliminate duplicates Z: 68 53.040 2.093 0.779 0.753 0.955 0.582 CB 1.454 66 residues pruned to eliminate duplicates Z: 11 22.467 1.907 0.746 0.911 1.000 0.700 CB 1.512 11 residues pruned to eliminate duplicates 358 residues left after pruning, divided into chains as follows: A: 110 B: 180 C: 68 CC for partial structure against native data = 40.45 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.522, Connect. = 0.759 for dens.mod. cycle 1 = 0.300, Contrast = 0.586, Connect. = 0.781 for dens.mod. cycle 2 = 0.300, Contrast = 0.700, Connect. = 0.806 for dens.mod. cycle 3 = 0.300, Contrast = 0.707, Connect. = 0.807 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.721, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.726, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.728, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.731, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.732, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1883 peaks > 0.5 sigma used to seed fragment search Space for about 486 unique residues taking solvent into account 432 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 66.878 2.490 1.319 0.908 0.950 0.450 CA 1.936 B: 21 62.278 2.413 1.233 0.932 0.950 0.850 CA 1.899 21 residues pruned to eliminate duplicates C: 21 58.407 2.464 1.110 0.916 0.950 0.850 CA 1.868 21 residues pruned to eliminate duplicates D: 21 64.041 2.479 1.263 0.935 0.950 0.850 CA 1.872 21 residues pruned to eliminate duplicates E: 20 62.418 2.534 1.097 0.949 1.000 0.842 CA 1.860 20 residues pruned to eliminate duplicates F: 20 64.703 2.522 1.195 0.933 1.000 0.632 CA 1.870 20 residues pruned to eliminate duplicates G: 20 68.069 2.491 1.253 0.952 1.000 0.684 CA 1.916 20 residues pruned to eliminate duplicates H: 18 27.255 2.109 0.441 0.858 0.941 0.765 CB 1.701 I: 14 44.607 2.433 1.102 0.906 1.000 1.000 CA 1.721 J: 21 63.524 2.491 1.230 0.917 0.950 0.650 CA 1.900 21 residues pruned to eliminate duplicates K: 21 64.050 2.512 1.185 0.912 1.000 0.650 CA 1.848 21 residues pruned to eliminate duplicates L: 19 71.182 2.569 1.341 0.948 1.000 0.722 CA 1.927 19 residues pruned to eliminate duplicates M: 17 29.625 2.209 0.358 0.899 1.000 0.750 CB 1.764 18 residues pruned to eliminate duplicates N: 14 26.937 2.094 0.674 0.848 0.923 0.769 O 1.713 O: 19 54.164 2.522 0.900 0.933 1.000 0.889 CA 1.859 19 residues pruned to eliminate duplicates P: 16 28.011 2.312 0.296 0.847 0.933 0.667 CA 1.920 16 residues pruned to eliminate duplicates Q: 15 26.517 2.366 0.274 0.884 0.929 0.500 CB 1.829 15 residues pruned to eliminate duplicates R: 21 65.793 2.489 1.166 0.930 1.000 0.750 CA 1.908 21 residues pruned to eliminate duplicates S: 14 32.020 2.079 0.895 0.851 0.923 0.615 O 1.808 13 residues pruned to eliminate duplicates T: 14 47.111 2.387 1.394 0.898 0.923 0.692 CA 1.771 15 residues pruned to eliminate duplicates U: 15 45.142 2.386 1.409 0.856 0.929 0.429 CA 1.667 13 residues pruned to eliminate duplicates V: 12 29.366 2.229 0.660 0.897 0.909 0.455 CA 1.883 12 residues pruned to eliminate duplicates W: 21 54.460 2.485 0.951 0.925 0.950 0.850 CA 1.856 21 residues pruned to eliminate duplicates X: 19 66.839 2.556 1.199 0.940 1.000 0.611 CA 1.947 19 residues pruned to eliminate duplicates Y: 19 63.708 2.550 1.137 0.950 1.000 0.889 CA 1.900 19 residues pruned to eliminate duplicates Z: 21 63.397 2.472 1.225 0.915 1.000 0.800 CA 1.822 21 residues pruned to eliminate duplicates Z: 21 50.691 2.353 0.900 0.946 1.000 0.800 CA 1.753 Z: 19 57.624 2.515 1.025 0.954 1.000 1.000 CA 1.835 19 residues pruned to eliminate duplicates Z: 22 55.763 2.389 1.214 0.857 0.952 0.476 CA 1.780 22 residues pruned to eliminate duplicates Z: 21 31.966 2.261 0.542 0.896 0.850 0.600 CB 1.727 21 residues pruned to eliminate duplicates Z: 15 19.552 2.363 0.106 0.893 0.786 0.714 CB 1.827 15 residues pruned to eliminate duplicates Z: 12 13.437 2.095 0.159 0.826 0.727 0.636 CA 1.732 12 residues pruned to eliminate duplicates Z: 11 26.079 2.220 0.550 0.851 1.000 0.900 CA 1.775 11 residues pruned to eliminate duplicates Z: 12 28.879 2.337 0.519 0.845 1.000 0.545 CB 1.824 12 residues pruned to eliminate duplicates Z: 17 24.802 1.975 0.618 0.878 0.938 0.812 CB 1.501 Z: 23 36.339 2.179 0.847 0.905 1.000 0.364 CB 1.370 Z: 12 24.300 2.270 0.546 0.805 0.909 0.545 CB 1.760 12 residues pruned to eliminate duplicates Z: 23 38.604 2.221 1.034 0.912 0.955 0.364 CB 1.351 24 residues pruned to eliminate duplicates Z: 15 41.011 2.418 1.103 0.864 1.000 0.857 CA 1.580 15 residues pruned to eliminate duplicates Z: 21 52.632 2.475 0.921 0.910 1.000 0.800 CA 1.756 21 residues pruned to eliminate duplicates Z: 21 54.595 2.446 1.000 0.925 0.950 0.750 CA 1.843 21 residues pruned to eliminate duplicates Z: 15 22.956 2.127 0.304 0.773 1.000 0.714 CB 1.738 14 residues pruned to eliminate duplicates Z: 19 57.906 2.432 1.080 0.940 1.000 0.667 CB 1.873 21 residues pruned to eliminate duplicates Z: 21 46.172 2.315 0.944 0.920 0.900 0.650 CB 1.795 20 residues pruned to eliminate duplicates Z: 18 27.225 2.147 0.398 0.831 0.941 0.647 CB 1.756 17 residues pruned to eliminate duplicates Z: 13 23.273 2.258 0.580 0.890 0.917 0.750 CB 1.478 13 residues pruned to eliminate duplicates Z: 14 31.018 2.245 1.012 0.914 0.923 0.538 CB 1.459 Z: 22 41.744 2.335 0.884 0.932 0.952 0.810 CB 1.518 23 residues pruned to eliminate duplicates Z: 21 35.316 2.210 0.617 0.891 0.950 0.700 CA 1.673 21 residues pruned to eliminate duplicates Z: 19 74.091 2.533 1.417 0.953 1.000 0.278 CB 1.963 20 residues pruned to eliminate duplicates Z: 13 29.445 2.203 0.772 0.897 0.833 0.667 O 1.871 14 residues pruned to eliminate duplicates Z: 23 36.748 2.233 1.005 0.898 0.955 0.545 CB 1.312 23 residues pruned to eliminate duplicates Z: 14 20.165 2.037 0.642 0.805 0.923 0.846 CB 1.387 Z: 21 49.578 2.316 0.819 0.930 1.000 0.900 CB 1.840 21 residues pruned to eliminate duplicates Z: 12 18.074 1.821 0.505 0.911 1.000 0.727 CB 1.409 Z: 22 48.990 2.255 0.875 0.924 1.000 0.810 CA 1.775 21 residues pruned to eliminate duplicates Z: 15 32.950 2.401 0.988 0.822 0.929 0.643 CA 1.502 15 residues pruned to eliminate duplicates Z: 76 43.082 2.029 0.594 0.703 0.933 0.587 CB 1.370 35 residues pruned to eliminate duplicates Z: 16 27.371 2.240 0.383 0.851 0.933 0.600 CB 1.808 16 residues pruned to eliminate duplicates Z: 15 22.605 2.343 0.443 0.784 0.786 0.643 CB 1.771 15 residues pruned to eliminate duplicates Z: 34 28.915 2.079 0.623 0.630 0.939 0.667 CB 1.405 34 residues pruned to eliminate duplicates Z: 20 76.453 2.489 1.471 0.930 1.000 0.632 CA 1.994 19 residues pruned to eliminate duplicates Z: 24 32.515 2.161 0.535 0.916 1.000 0.826 CB 1.443 24 residues pruned to eliminate duplicates Z: 18 21.157 2.131 0.488 0.663 0.882 0.706 CB 1.576 18 residues pruned to eliminate duplicates Z: 22 37.454 2.213 0.723 0.887 0.952 0.762 CA 1.623 21 residues pruned to eliminate duplicates Z: 20 50.186 2.310 0.946 0.914 1.000 0.737 CB 1.811 20 residues pruned to eliminate duplicates Z: 15 24.772 2.106 0.568 0.876 0.929 0.714 CA 1.569 16 residues pruned to eliminate duplicates Z: 13 41.868 2.426 1.142 0.874 1.000 0.750 CA 1.692 13 residues pruned to eliminate duplicates Z: 21 33.980 2.296 0.562 0.944 1.000 0.900 CB 1.467 21 residues pruned to eliminate duplicates Z: 21 59.512 2.383 1.058 0.948 1.000 0.550 CA 1.875 21 residues pruned to eliminate duplicates Z: 21 47.980 2.287 0.974 0.953 0.950 0.650 CB 1.721 21 residues pruned to eliminate duplicates Z: 22 35.721 2.324 0.749 0.923 0.905 0.667 CB 1.490 22 residues pruned to eliminate duplicates Z: 15 38.136 2.234 1.115 0.884 1.000 0.714 CA 1.558 15 residues pruned to eliminate duplicates Z: 12 20.554 2.142 0.526 0.820 1.000 0.818 CB 1.437 Z: 20 33.712 2.278 0.387 0.920 1.000 0.947 CA 1.724 20 residues pruned to eliminate duplicates Z: 17 33.129 2.233 0.619 0.853 0.938 0.812 CA 1.805 17 residues pruned to eliminate duplicates Z: 17 20.647 2.116 0.553 0.674 1.000 0.688 CB 1.338 17 residues pruned to eliminate duplicates Z: 22 45.031 2.340 1.059 0.925 0.952 0.619 CB 1.503 22 residues pruned to eliminate duplicates Z: 13 25.532 2.241 0.670 0.851 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 15 33.369 2.402 0.888 0.886 0.929 0.857 CA 1.528 15 residues pruned to eliminate duplicates Z: 14 22.726 2.095 0.296 0.889 0.923 0.692 CA 1.811 14 residues pruned to eliminate duplicates Z: 14 24.568 2.252 0.366 0.806 0.923 0.615 CB 1.837 14 residues pruned to eliminate duplicates Z: 23 38.292 2.244 1.149 0.902 0.864 0.409 CB 1.399 23 residues pruned to eliminate duplicates Z: 7 7.055 1.888 0.157 0.841 0.833 0.667 CB 1.180 Z: 34 27.105 2.056 0.612 0.619 0.909 0.667 CB 1.400 34 residues pruned to eliminate duplicates Z: 19 41.581 2.331 0.743 0.947 0.944 0.889 CA 1.765 19 residues pruned to eliminate duplicates Z: 20 42.237 2.296 0.913 0.901 0.895 0.526 CB 1.761 20 residues pruned to eliminate duplicates Z: 21 46.384 2.317 0.979 0.938 1.000 0.550 CB 1.573 21 residues pruned to eliminate duplicates Z: 20 63.002 2.505 1.125 0.905 1.000 0.632 CA 1.934 20 residues pruned to eliminate duplicates Z: 22 48.836 2.250 0.850 0.951 1.000 0.810 CA 1.764 22 residues pruned to eliminate duplicates Z: 13 50.366 2.516 1.364 0.885 0.917 0.750 CA 1.925 14 residues pruned to eliminate duplicates Z: 22 35.330 2.228 0.899 0.915 0.857 0.476 CB 1.502 22 residues pruned to eliminate duplicates Z: 15 27.652 2.086 0.948 0.874 1.000 0.857 CB 1.323 14 residues pruned to eliminate duplicates Z: 14 17.359 2.053 0.197 0.792 1.000 0.769 CB 1.517 Z: 11 25.487 2.375 0.535 0.919 1.000 1.000 CB 1.558 11 residues pruned to eliminate duplicates Z: 14 31.539 2.109 1.031 0.917 1.000 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 21 25.570 2.227 0.459 0.914 0.900 0.650 CB 1.383 21 residues pruned to eliminate duplicates Z: 23 32.739 2.208 0.795 0.893 0.909 0.500 CB 1.391 23 residues pruned to eliminate duplicates Z: 23 38.620 2.214 1.041 0.916 0.955 0.773 CB 1.348 23 residues pruned to eliminate duplicates Z: 13 24.007 2.194 0.365 0.860 1.000 0.750 O 1.702 13 residues pruned to eliminate duplicates Z: 19 24.003 2.158 0.490 0.727 1.000 0.722 CB 1.433 19 residues pruned to eliminate duplicates Z: 14 34.501 2.228 1.016 0.909 1.000 0.615 CB 1.512 15 residues pruned to eliminate duplicates Z: 10 11.651 1.852 0.440 0.868 0.889 0.778 CB 1.197 Z: 21 57.961 2.456 1.051 0.933 1.000 0.800 CA 1.795 21 residues pruned to eliminate duplicates Z: 23 37.162 2.273 0.670 0.910 0.955 0.727 CB 1.552 23 residues pruned to eliminate duplicates Z: 15 29.996 2.094 0.831 0.907 1.000 0.786 CA 1.487 17 residues pruned to eliminate duplicates Z: 15 25.857 2.125 0.696 0.879 1.000 0.571 CB 1.390 15 residues pruned to eliminate duplicates Z: 10 13.626 1.996 0.704 0.714 0.889 0.556 CB 1.237 Z: 14 18.501 1.996 0.532 0.815 0.923 0.615 CB 1.383 12 residues pruned to eliminate duplicates Z: 14 29.421 2.181 0.940 0.920 1.000 0.846 CB 1.358 14 residues pruned to eliminate duplicates Z: 15 23.470 1.973 0.558 0.802 0.929 0.571 CA 1.687 15 residues pruned to eliminate duplicates Z: 19 18.025 1.881 0.469 0.758 0.944 0.667 CB 1.294 Z: 17 26.347 2.224 0.306 0.848 0.938 0.625 CB 1.795 17 residues pruned to eliminate duplicates Z: 23 38.578 2.239 1.043 0.901 0.955 0.682 CB 1.344 23 residues pruned to eliminate duplicates Z: 14 17.612 2.070 0.329 0.787 0.923 0.615 CB 1.494 14 residues pruned to eliminate duplicates Z: 15 18.789 2.343 0.297 0.817 0.714 0.571 CB 1.756 15 residues pruned to eliminate duplicates Z: 12 16.617 2.080 0.261 0.841 0.909 0.818 CB 1.567 11 residues pruned to eliminate duplicates Z: 22 37.545 2.341 0.757 0.926 0.952 0.571 CB 1.467 22 residues pruned to eliminate duplicates Z: 14 28.378 2.204 0.922 0.836 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 13 18.223 2.050 0.589 0.708 1.000 0.333 CB 1.336 Z: 15 32.356 2.205 0.798 0.912 1.000 0.786 CB 1.544 14 residues pruned to eliminate duplicates Z: 13 20.450 2.121 0.544 0.832 0.917 0.833 CB 1.477 14 residues pruned to eliminate duplicates Z: 11 16.553 2.059 0.407 0.850 1.000 0.800 CB 1.338 11 residues pruned to eliminate duplicates Z: 12 14.993 1.859 0.436 0.857 1.000 0.727 CB 1.249 12 residues pruned to eliminate duplicates Z: 22 37.358 2.250 0.706 0.892 0.952 0.905 CA 1.602 22 residues pruned to eliminate duplicates Z: 18 16.542 1.936 0.498 0.715 0.824 0.588 CB 1.382 18 residues pruned to eliminate duplicates Z: 13 30.924 2.149 0.797 0.883 0.917 0.667 O 1.825 13 residues pruned to eliminate duplicates Z: 21 41.160 2.339 0.695 0.942 1.000 0.650 CB 1.609 21 residues pruned to eliminate duplicates Z: 22 46.039 2.274 0.912 0.931 0.905 0.619 CB 1.786 22 residues pruned to eliminate duplicates Z: 14 31.445 2.215 0.569 0.865 1.000 0.769 CB 1.839 14 residues pruned to eliminate duplicates Z: 35 42.282 2.285 0.701 0.685 0.912 0.618 CB 1.727 33 residues pruned to eliminate duplicates Z: 13 21.399 2.210 0.386 0.782 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 13 28.181 2.212 1.252 0.909 0.917 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 13 19.364 2.036 0.453 0.792 1.000 0.583 CB 1.463 13 residues pruned to eliminate duplicates Z: 14 25.186 2.179 0.659 0.822 0.923 0.769 CB 1.583 14 residues pruned to eliminate duplicates Z: 13 19.657 2.103 0.368 0.830 1.000 0.833 CB 1.483 13 residues pruned to eliminate duplicates Z: 13 22.106 2.133 0.543 0.844 0.917 0.667 CB 1.574 13 residues pruned to eliminate duplicates Z: 21 41.819 2.271 0.929 0.883 0.900 0.600 CA 1.714 21 residues pruned to eliminate duplicates Z: 11 19.075 1.867 0.721 0.882 0.900 0.700 CA 1.509 11 residues pruned to eliminate duplicates Z: 49 60.598 2.280 0.777 0.824 1.000 0.688 CB 1.630 49 residues pruned to eliminate duplicates Z: 22 43.450 2.238 0.724 0.913 1.000 0.571 CA 1.740 22 residues pruned to eliminate duplicates Z: 15 27.973 2.325 0.373 0.838 0.929 0.714 CB 1.885 15 residues pruned to eliminate duplicates Z: 17 35.103 2.251 1.415 0.764 0.875 0.625 CA 1.459 17 residues pruned to eliminate duplicates Z: 20 26.831 1.972 0.734 0.927 0.947 0.632 CB 1.332 Z: 13 15.941 2.072 0.360 0.803 0.917 0.750 CB 1.367 13 residues pruned to eliminate duplicates Z: 6 7.383 1.873 0.247 0.868 1.000 0.600 CB 1.034 7 residues pruned to eliminate duplicates Z: 20 54.305 2.451 1.036 0.928 1.000 0.947 CA 1.747 20 residues pruned to eliminate duplicates Z: 22 32.536 1.897 0.962 0.942 1.000 0.667 CB 1.323 20 residues pruned to eliminate duplicates Z: 11 15.155 1.827 0.319 0.894 1.000 0.800 CB 1.427 11 residues pruned to eliminate duplicates Z: 50 52.727 2.243 0.736 0.800 0.959 0.612 CB 1.551 50 residues pruned to eliminate duplicates Z: 22 16.234 1.792 0.401 0.904 0.952 0.714 CB 1.055 22 residues pruned to eliminate duplicates Z: 20 20.582 2.272 0.325 0.720 0.737 0.579 CB 1.744 20 residues pruned to eliminate duplicates Z: 18 25.913 2.117 1.119 0.631 0.765 0.588 CA 1.620 18 residues pruned to eliminate duplicates Z: 18 18.474 1.961 0.526 0.761 0.941 0.706 CB 1.262 19 residues pruned to eliminate duplicates Z: 8 17.812 1.969 0.718 0.855 1.000 0.857 CA 1.469 8 residues pruned to eliminate duplicates Z: 20 27.220 1.927 0.926 0.947 0.947 0.684 CB 1.227 20 residues pruned to eliminate duplicates Z: 18 15.735 1.914 0.393 0.775 1.000 0.412 CB 1.123 18 residues pruned to eliminate duplicates Z: 13 22.035 2.139 0.328 0.849 1.000 1.000 CB 1.660 13 residues pruned to eliminate duplicates Z: 17 18.912 1.947 0.364 0.839 1.000 0.625 CB 1.331 15 residues pruned to eliminate duplicates Z: 14 12.913 2.026 0.467 0.661 0.846 0.538 CB 1.226 14 residues pruned to eliminate duplicates Z: 22 20.160 1.862 0.399 0.894 0.952 0.762 CB 1.272 22 residues pruned to eliminate duplicates Z: 37 37.002 2.233 0.794 0.587 0.917 0.611 CB 1.544 33 residues pruned to eliminate duplicates Z: 19 36.802 2.258 1.035 0.721 0.944 0.389 CA 1.637 14 residues pruned to eliminate duplicates Z: 13 11.438 1.767 0.362 0.893 0.833 0.750 CB 1.183 13 residues pruned to eliminate duplicates Z: 20 23.755 1.912 0.704 0.955 0.895 0.579 CB 1.285 20 residues pruned to eliminate duplicates Z: 10 14.908 1.828 0.722 0.904 1.000 0.889 CB 1.124 10 residues pruned to eliminate duplicates Z: 18 20.243 1.952 0.513 0.796 1.000 0.706 CB 1.282 18 residues pruned to eliminate duplicates Z: 11 15.951 1.861 0.462 0.894 0.900 0.900 CA 1.478 11 residues pruned to eliminate duplicates Z: 19 18.773 1.931 0.289 0.804 1.000 0.722 CB 1.364 19 residues pruned to eliminate duplicates Z: 15 14.838 1.999 0.319 0.751 0.929 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 14 18.920 2.019 0.403 0.813 1.000 0.846 CB 1.411 14 residues pruned to eliminate duplicates Z: 22 27.536 2.239 0.337 0.907 0.952 0.762 CB 1.498 22 residues pruned to eliminate duplicates Z: 7 22.770 2.580 0.461 0.856 1.000 1.000 CB 1.819 7 residues pruned to eliminate duplicates Z: 16 24.162 2.027 0.886 0.833 0.933 0.667 CB 1.312 16 residues pruned to eliminate duplicates Z: 14 23.699 2.151 0.397 0.892 0.923 0.769 CA 1.703 14 residues pruned to eliminate duplicates Z: 15 29.467 2.358 0.885 0.839 0.857 0.714 CA 1.544 15 residues pruned to eliminate duplicates Z: 11 17.308 1.879 0.481 0.905 1.000 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 12 14.191 1.826 0.125 0.919 1.000 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 12 13.850 1.720 0.372 0.883 1.000 0.909 CA 1.279 12 residues pruned to eliminate duplicates Z: 13 16.452 2.055 0.336 0.760 0.917 0.667 CB 1.498 13 residues pruned to eliminate duplicates Z: 14 30.375 2.248 0.802 0.926 1.000 0.923 CB 1.458 14 residues pruned to eliminate duplicates Z: 23 27.401 1.845 0.763 0.936 1.000 0.727 CB 1.250 23 residues pruned to eliminate duplicates Z: 14 17.659 2.059 0.300 0.781 1.000 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 17 26.121 2.138 0.559 0.844 0.875 0.500 CB 1.666 17 residues pruned to eliminate duplicates Z: 13 15.511 2.131 0.131 0.767 1.000 0.500 CB 1.466 13 residues pruned to eliminate duplicates Z: 10 14.357 2.211 0.469 0.690 0.778 0.667 CB 1.593 10 residues pruned to eliminate duplicates Z: 19 20.815 2.101 0.470 0.708 0.944 0.722 CB 1.392 19 residues pruned to eliminate duplicates Z: 15 32.911 2.070 1.118 0.867 1.000 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 21 63.852 2.474 1.267 0.942 0.950 0.500 CA 1.859 21 residues pruned to eliminate duplicates Z: 57 42.105 2.167 0.665 0.601 0.911 0.518 CB 1.555 94 residues pruned to eliminate duplicates Z: 14 16.876 2.027 0.175 0.805 1.000 0.538 CB 1.506 14 residues pruned to eliminate duplicates Z: 12 19.116 2.132 0.554 0.847 0.909 0.727 CB 1.421 Z: 38 58.685 2.382 0.891 0.720 0.946 0.486 CB 1.855 38 residues pruned to eliminate duplicates Z: 20 27.609 1.984 0.745 0.940 0.947 0.632 CB 1.340 20 residues pruned to eliminate duplicates Z: 14 20.607 2.447 0.301 0.857 0.769 0.615 CB 1.720 14 residues pruned to eliminate duplicates Z: 38 23.303 2.102 0.438 0.593 0.892 0.703 CB 1.300 34 residues pruned to eliminate duplicates Z: 9 13.141 1.681 0.545 0.894 1.000 1.000 CB 1.284 Z: 12 16.575 2.127 0.177 0.809 1.000 0.818 CA 1.525 12 residues pruned to eliminate duplicates Z: 19 23.411 2.114 0.623 0.776 0.889 0.833 CB 1.419 19 residues pruned to eliminate duplicates Z: 73 85.539 2.477 0.843 0.705 0.944 0.667 CB 1.940 55 residues pruned to eliminate duplicates Z: 13 11.381 1.825 0.213 0.800 1.000 0.833 CB 1.141 12 residues pruned to eliminate duplicates Z: 15 28.734 2.366 0.311 0.825 1.000 0.786 CB 1.868 15 residues pruned to eliminate duplicates Z: 14 15.650 2.056 0.110 0.806 1.000 0.769 CB 1.455 14 residues pruned to eliminate duplicates Z: 39 42.518 2.151 0.804 0.814 0.974 0.553 CB 1.389 39 residues pruned to eliminate duplicates Z: 12 17.989 1.747 0.616 0.879 1.000 0.636 CA 1.393 12 residues pruned to eliminate duplicates Z: 12 24.644 2.154 0.852 0.919 0.909 0.909 CB 1.444 12 residues pruned to eliminate duplicates Z: 7 8.589 1.838 0.281 0.785 0.833 0.667 CB 1.390 6 residues pruned to eliminate duplicates Z: 35 46.593 2.381 0.871 0.618 0.882 0.500 CB 1.818 35 residues pruned to eliminate duplicates Z: 18 25.421 1.888 0.836 0.862 1.000 0.765 CB 1.306 18 residues pruned to eliminate duplicates Z: 14 20.587 2.157 0.302 0.919 1.000 0.923 CB 1.432 14 residues pruned to eliminate duplicates Z: 23 20.301 2.104 0.657 0.609 0.864 0.636 CB 1.296 23 residues pruned to eliminate duplicates Z: 19 24.160 1.858 0.724 0.845 0.944 0.611 CB 1.400 19 residues pruned to eliminate duplicates Z: 8 7.590 1.948 0.037 0.518 1.000 0.286 CB 1.395 5 residues pruned to eliminate duplicates Z: 9 11.881 1.860 0.182 0.876 1.000 1.000 CB 1.389 9 residues pruned to eliminate duplicates Z: 17 24.583 2.214 0.563 0.816 0.938 0.688 CB 1.440 17 residues pruned to eliminate duplicates Z: 12 11.319 1.683 0.580 0.855 1.000 0.727 CB 0.947 9 residues pruned to eliminate duplicates Z: 13 12.775 1.820 0.390 0.862 0.917 0.750 CB 1.168 13 residues pruned to eliminate duplicates Z: 67 51.344 2.103 0.829 0.741 0.970 0.561 CB 1.366 66 residues pruned to eliminate duplicates Z: 67 53.627 2.118 0.723 0.751 0.985 0.636 CB 1.469 68 residues pruned to eliminate duplicates Z: 9 13.528 2.004 0.246 0.908 1.000 0.500 CB 1.361 9 residues pruned to eliminate duplicates Z: 14 28.166 2.218 0.730 0.923 1.000 0.923 CB 1.430 14 residues pruned to eliminate duplicates Z: 12 14.846 2.057 0.274 0.752 1.000 0.545 CB 1.365 12 residues pruned to eliminate duplicates Z: 11 13.974 1.739 0.428 0.925 1.000 1.000 CB 1.249 12 residues pruned to eliminate duplicates Z: 12 15.007 1.836 0.452 0.900 1.000 0.727 CB 1.212 12 residues pruned to eliminate duplicates Z: 11 22.202 1.898 0.712 0.929 1.000 0.700 CB 1.511 11 residues pruned to eliminate duplicates Z: 19 16.993 1.896 0.533 0.825 0.889 0.667 CB 1.170 19 residues pruned to eliminate duplicates Z: 13 11.765 1.760 0.237 0.923 1.000 1.000 CB 1.095 13 residues pruned to eliminate duplicates Z: 11 16.999 1.819 0.510 0.895 1.000 0.800 CA 1.402 11 residues pruned to eliminate duplicates Z: 12 21.778 1.826 0.775 0.903 1.000 0.636 CB 1.444 11 residues pruned to eliminate duplicates Z: 15 34.336 2.289 1.172 0.822 0.929 0.571 CA 1.503 15 residues pruned to eliminate duplicates Z: 8 11.562 1.928 0.343 0.904 1.000 1.000 CB 1.202 8 residues pruned to eliminate duplicates Z: 13 14.831 2.041 0.428 0.864 0.833 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 11 22.526 1.876 0.788 0.911 1.000 0.500 N 1.506 11 residues pruned to eliminate duplicates Z: 14 18.474 2.135 0.802 0.794 0.769 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 19 19.155 1.935 0.341 0.906 1.000 0.944 CB 1.237 19 residues pruned to eliminate duplicates Z: 19 16.555 2.053 0.202 0.711 0.944 0.778 CB 1.381 19 residues pruned to eliminate duplicates Z: 15 22.942 2.141 0.605 0.798 0.857 0.714 CB 1.604 15 residues pruned to eliminate duplicates Z: 11 10.625 1.792 0.184 0.877 1.000 0.600 CB 1.150 10 residues pruned to eliminate duplicates Z: 6 8.472 1.882 0.336 0.605 1.000 0.600 N 1.364 6 residues pruned to eliminate duplicates Z: 20 50.155 2.370 1.273 0.949 0.947 0.474 CB 1.556 20 residues pruned to eliminate duplicates Z: 13 14.437 2.021 0.561 0.728 0.833 0.583 CB 1.291 13 residues pruned to eliminate duplicates Z: 10 16.133 1.741 0.653 0.874 1.000 0.556 CB 1.359 11 residues pruned to eliminate duplicates Z: 21 22.166 1.905 0.393 0.926 1.000 0.700 CA 1.310 21 residues pruned to eliminate duplicates Z: 13 13.275 1.753 0.218 0.855 1.000 0.750 CB 1.325 13 residues pruned to eliminate duplicates Z: 39 31.279 2.161 0.670 0.537 0.895 0.553 CB 1.515 30 residues pruned to eliminate duplicates Z: 13 16.773 2.220 0.210 0.758 0.917 0.667 CB 1.562 19 residues pruned to eliminate duplicates Z: 11 18.154 1.865 0.690 0.896 0.900 0.300 N 1.450 11 residues pruned to eliminate duplicates Z: 11 13.639 2.017 0.340 0.872 0.900 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 50 41.646 2.141 0.731 0.671 0.939 0.714 CB 1.461 50 residues pruned to eliminate duplicates Z: 13 12.213 1.802 0.259 0.804 0.917 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 55 35.921 1.949 0.605 0.712 0.944 0.463 CB 1.365 51 residues pruned to eliminate duplicates Z: 18 20.386 1.967 0.595 0.798 0.882 0.647 CB 1.376 18 residues pruned to eliminate duplicates Z: 12 9.902 1.979 0.217 0.625 0.818 0.364 CB 1.346 12 residues pruned to eliminate duplicates Z: 38 64.555 2.389 1.006 0.759 0.919 0.541 CB 1.914 38 residues pruned to eliminate duplicates Z: 13 13.986 2.024 0.679 0.790 0.750 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 15 26.528 2.292 0.301 0.890 0.929 0.786 CB 1.842 15 residues pruned to eliminate duplicates Z: 54 50.784 2.161 0.790 0.740 0.943 0.547 CB 1.542 54 residues pruned to eliminate duplicates Z: 21 22.695 1.907 0.542 0.905 1.000 0.750 CB 1.229 21 residues pruned to eliminate duplicates Z: 13 25.978 2.127 0.714 0.824 1.000 0.833 CB 1.553 13 residues pruned to eliminate duplicates Z: 16 25.337 2.030 0.527 0.885 1.000 0.800 CB 1.524 16 residues pruned to eliminate duplicates Z: 20 27.847 1.989 0.864 0.935 0.947 0.632 CB 1.268 20 residues pruned to eliminate duplicates Z: 12 22.712 2.215 0.447 0.862 1.000 0.909 CB 1.568 12 residues pruned to eliminate duplicates Z: 15 30.016 2.346 0.727 0.849 0.929 0.857 CA 1.581 15 residues pruned to eliminate duplicates Z: 16 23.199 1.909 0.915 0.917 0.933 0.667 CB 1.239 16 residues pruned to eliminate duplicates Z: 21 23.943 1.912 0.691 0.923 0.950 0.500 CB 1.225 21 residues pruned to eliminate duplicates Z: 12 17.529 1.823 0.808 0.898 0.909 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 16 14.941 1.894 0.338 0.777 0.867 0.733 CB 1.375 16 residues pruned to eliminate duplicates Z: 21 52.337 2.465 0.883 0.899 0.950 0.750 CA 1.896 21 residues pruned to eliminate duplicates Z: 11 20.740 1.858 0.900 0.911 0.900 0.900 N 1.463 11 residues pruned to eliminate duplicates Z: 22 43.704 2.221 0.906 0.909 0.952 0.571 CA 1.679 22 residues pruned to eliminate duplicates Z: 13 15.308 2.124 0.429 0.749 0.833 0.583 CB 1.398 13 residues pruned to eliminate duplicates Z: 12 13.170 2.039 0.255 0.746 0.909 0.818 CB 1.370 12 residues pruned to eliminate duplicates Z: 7 15.751 2.146 0.561 0.774 1.000 0.500 CB 1.506 7 residues pruned to eliminate duplicates Z: 9 12.992 1.767 0.364 0.929 1.000 1.000 CB 1.333 9 residues pruned to eliminate duplicates Z: 19 14.807 1.885 0.315 0.758 0.944 0.556 CB 1.185 19 residues pruned to eliminate duplicates Z: 14 16.691 2.004 0.322 0.810 0.923 0.538 CB 1.446 14 residues pruned to eliminate duplicates Z: 11 16.397 1.765 0.599 0.908 1.000 0.800 CB 1.305 10 residues pruned to eliminate duplicates Z: 8 8.964 2.106 0.308 0.434 1.000 0.286 CB 1.316 8 residues pruned to eliminate duplicates Z: 12 21.639 1.806 0.756 0.911 1.000 0.636 CB 1.458 12 residues pruned to eliminate duplicates Z: 51 22.377 1.837 0.482 0.559 0.880 0.480 CB 1.247 50 residues pruned to eliminate duplicates Z: 14 13.038 1.863 0.192 0.823 1.000 0.615 CB 1.232 14 residues pruned to eliminate duplicates Z: 17 18.613 2.156 0.636 0.695 0.938 0.562 CB 1.178 17 residues pruned to eliminate duplicates Z: 13 27.794 2.224 0.913 0.881 0.917 0.917 CB 1.490 13 residues pruned to eliminate duplicates Z: 13 11.692 1.873 0.074 0.820 1.000 0.833 CB 1.271 13 residues pruned to eliminate duplicates Z: 19 17.914 1.894 0.373 0.815 0.944 0.778 CB 1.308 19 residues pruned to eliminate duplicates Z: 9 21.763 2.370 0.491 0.720 1.000 0.875 CB 1.785 9 residues pruned to eliminate duplicates Z: 11 12.538 1.909 0.167 0.821 1.000 0.800 CB 1.347 11 residues pruned to eliminate duplicates Z: 13 13.548 1.766 0.449 0.914 0.917 0.750 CB 1.179 13 residues pruned to eliminate duplicates Z: 12 31.153 2.295 1.192 0.913 1.000 0.818 CB 1.322 12 residues pruned to eliminate duplicates Z: 13 12.707 1.761 0.232 0.939 1.000 0.833 CB 1.175 13 residues pruned to eliminate duplicates Z: 6 2.897 1.621 0.418 0.579 1.000 1.000 CB 0.522 Z: 13 14.160 1.752 0.408 0.909 1.000 0.667 CB 1.176 13 residues pruned to eliminate duplicates Z: 7 9.199 1.831 0.419 0.620 1.000 0.333 CB 1.291 7 residues pruned to eliminate duplicates Z: 11 17.972 1.856 0.671 0.917 0.900 0.500 N 1.437 11 residues pruned to eliminate duplicates Z: 20 71.869 2.507 1.393 0.957 1.000 0.368 CB 1.887 20 residues pruned to eliminate duplicates Z: 13 9.270 1.635 0.104 0.924 1.000 0.917 CB 1.041 13 residues pruned to eliminate duplicates Z: 7 13.757 2.134 0.287 0.845 1.000 0.833 CB 1.520 7 residues pruned to eliminate duplicates Z: 7 8.983 1.902 0.155 0.642 1.000 0.667 O 1.463 7 residues pruned to eliminate duplicates Z: 9 13.527 1.996 0.685 0.730 1.000 0.375 CB 1.156 9 residues pruned to eliminate duplicates Z: 11 9.205 1.751 0.064 0.862 0.900 0.700 CB 1.274 11 residues pruned to eliminate duplicates Z: 21 26.724 1.912 0.969 0.943 0.950 0.400 CB 1.158 21 residues pruned to eliminate duplicates Z: 14 16.088 2.049 0.251 0.792 0.923 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 9 11.774 1.904 0.363 0.890 1.000 0.750 CB 1.153 9 residues pruned to eliminate duplicates Z: 19 18.456 1.873 0.563 0.776 0.889 0.611 CB 1.310 19 residues pruned to eliminate duplicates Z: 12 23.839 2.052 0.534 0.908 1.000 0.636 CA 1.621 12 residues pruned to eliminate duplicates Z: 8 13.827 1.920 0.458 0.827 1.000 0.857 CB 1.407 8 residues pruned to eliminate duplicates Z: 16 27.533 2.081 0.681 0.846 1.000 0.800 CB 1.510 16 residues pruned to eliminate duplicates Z: 14 21.040 1.963 0.679 0.801 1.000 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 17 13.475 1.718 0.628 0.757 0.812 0.562 CB 1.179 17 residues pruned to eliminate duplicates Z: 14 22.844 2.053 0.360 0.859 1.000 0.769 CA 1.670 14 residues pruned to eliminate duplicates Z: 35 41.993 2.326 0.698 0.631 0.971 0.471 CB 1.662 35 residues pruned to eliminate duplicates Z: 22 15.333 1.836 0.175 0.917 0.905 0.762 CA 1.210 22 residues pruned to eliminate duplicates Z: 41 63.538 2.432 0.854 0.761 0.925 0.750 CA 1.910 41 residues pruned to eliminate duplicates Z: 10 4.799 1.633 0.602 0.301 0.667 0.444 CA 1.145 Z: 17 18.303 2.022 0.474 0.805 0.938 0.750 CB 1.255 17 residues pruned to eliminate duplicates Z: 91 63.304 2.257 0.757 0.653 0.911 0.622 CB 1.602 168 residues pruned to eliminate duplicates Z: 77 64.462 2.336 0.784 0.596 0.921 0.553 CA 1.757 77 residues pruned to eliminate duplicates Z: 57 53.489 2.173 0.825 0.756 0.964 0.607 CB 1.488 Z: 13 14.347 1.820 0.455 0.827 0.917 0.417 CB 1.285 13 residues pruned to eliminate duplicates Z: 11 17.257 1.799 0.756 0.935 1.000 0.600 CB 1.204 11 residues pruned to eliminate duplicates Z: 19 16.842 1.896 0.225 0.772 1.000 0.611 CB 1.344 19 residues pruned to eliminate duplicates Z: 70 81.349 2.427 1.021 0.693 0.899 0.638 CB 1.862 70 residues pruned to eliminate duplicates Z: 11 6.868 1.556 0.190 0.723 0.900 0.900 CB 1.066 11 residues pruned to eliminate duplicates Z: 15 23.172 2.038 0.715 0.858 0.929 0.429 CB 1.405 15 residues pruned to eliminate duplicates Z: 10 18.416 1.828 0.847 0.912 1.000 0.778 CB 1.287 10 residues pruned to eliminate duplicates Z: 16 25.128 2.031 0.836 0.827 0.933 0.467 CB 1.405 16 residues pruned to eliminate duplicates Z: 22 22.938 1.819 0.675 0.936 1.000 0.667 CB 1.144 22 residues pruned to eliminate duplicates Z: 14 14.272 1.730 0.246 0.871 1.000 0.769 CA 1.339 13 residues pruned to eliminate duplicates Z: 28 26.981 2.015 0.537 0.640 1.000 0.630 CB 1.471 20 residues pruned to eliminate duplicates Z: 12 13.268 1.976 0.291 0.793 0.909 0.636 CB 1.334 12 residues pruned to eliminate duplicates Z: 12 15.478 1.835 0.377 0.882 1.000 0.818 CB 1.336 12 residues pruned to eliminate duplicates Z: 61 68.875 2.441 0.708 0.652 0.967 0.700 CB 1.915 61 residues pruned to eliminate duplicates Z: 10 11.448 1.812 0.646 0.877 1.000 0.667 CB 0.929 10 residues pruned to eliminate duplicates Z: 76 78.002 2.421 0.829 0.672 0.933 0.667 CB 1.860 76 residues pruned to eliminate duplicates Z: 13 12.854 1.730 0.487 0.915 1.000 0.750 CB 1.019 13 residues pruned to eliminate duplicates Z: 75 41.491 1.934 0.700 0.670 0.959 0.581 CB 1.307 75 residues pruned to eliminate duplicates Z: 24 23.459 2.091 0.214 0.893 1.000 0.913 CB 1.384 24 residues pruned to eliminate duplicates Z: 29 26.453 1.987 0.479 0.647 1.000 0.679 CB 1.483 28 residues pruned to eliminate duplicates Z: 23 36.345 2.249 0.949 0.601 0.955 0.636 CA 1.681 23 residues pruned to eliminate duplicates Z: 17 25.483 2.246 0.668 0.782 0.938 0.875 CB 1.415 17 residues pruned to eliminate duplicates Z: 84 69.751 2.300 0.758 0.657 0.952 0.675 CB 1.720 85 residues pruned to eliminate duplicates Z: 8 8.921 1.953 0.503 0.470 0.857 0.429 CB 1.381 8 residues pruned to eliminate duplicates Z: 30 18.929 1.917 0.741 0.519 0.793 0.586 CB 1.303 23 residues pruned to eliminate duplicates Z: 52 43.901 2.095 0.763 0.760 0.961 0.510 CB 1.375 52 residues pruned to eliminate duplicates Z: 11 23.137 1.894 0.837 0.885 1.000 0.400 CB 1.519 11 residues pruned to eliminate duplicates 6 1.758 1.399 0.282 0.368 1.000 0.400 CB 0.505 ? Z: 10 16.957 1.749 0.971 0.914 1.000 0.556 N 1.159 10 residues pruned to eliminate duplicates Z: 44 40.181 2.089 0.829 0.578 0.930 0.558 CB 1.600 44 residues pruned to eliminate duplicates Z: 77 34.669 1.879 0.573 0.676 0.934 0.487 CB 1.225 78 residues pruned to eliminate duplicates Z: 22 33.959 2.196 0.875 0.914 0.952 0.714 CB 1.337 22 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 35 18.741 1.899 0.333 0.641 0.941 0.618 CB 1.183 35 residues pruned to eliminate duplicates Z: 34 25.443 2.026 0.443 0.670 0.970 0.697 CB 1.336 34 residues pruned to eliminate duplicates Z: 18 17.157 1.914 0.298 0.803 1.000 0.647 CB 1.286 17 residues pruned to eliminate duplicates Z: 19 20.337 1.881 0.469 0.819 1.000 0.667 CB 1.315 19 residues pruned to eliminate duplicates Z: 90 73.568 2.311 0.719 0.666 0.978 0.640 CB 1.722 90 residues pruned to eliminate duplicates Z: 64 41.076 2.108 0.706 0.566 0.889 0.540 CB 1.518 61 residues pruned to eliminate duplicates Z: 19 20.447 1.904 0.418 0.794 1.000 0.667 CB 1.380 22 residues pruned to eliminate duplicates Z: 17 17.678 1.974 0.582 0.747 0.875 0.438 CB 1.297 17 residues pruned to eliminate duplicates Z: 36 26.681 2.022 0.513 0.652 0.943 0.600 CB 1.357 36 residues pruned to eliminate duplicates Z: 45 28.826 2.089 0.584 0.575 0.864 0.568 CB 1.415 45 residues pruned to eliminate duplicates Z: 111 74.496 2.297 0.686 0.672 0.909 0.600 CB 1.721 111 residues pruned to eliminate duplicates Z: 113 74.459 2.290 0.666 0.642 0.938 0.634 CB 1.722 113 residues pruned to eliminate duplicates Z: 35 25.616 2.017 0.378 0.666 0.971 0.618 CB 1.396 35 residues pruned to eliminate duplicates Z: 38 20.906 1.965 0.455 0.581 0.865 0.649 CB 1.285 38 residues pruned to eliminate duplicates Z: 111 74.916 2.282 0.724 0.661 0.918 0.582 CB 1.703 111 residues pruned to eliminate duplicates Z: 69 37.032 2.068 0.700 0.537 0.853 0.471 CB 1.444 69 residues pruned to eliminate duplicates Z: 35 23.595 1.969 0.374 0.668 0.941 0.618 CB 1.361 35 residues pruned to eliminate duplicates Z: 35 26.226 2.023 0.415 0.661 0.971 0.676 CB 1.395 35 residues pruned to eliminate duplicates Z: 109 79.807 2.313 0.751 0.666 0.954 0.556 CB 1.704 109 residues pruned to eliminate duplicates Z: 35 25.398 2.009 0.423 0.671 0.941 0.500 CB 1.383 35 residues pruned to eliminate duplicates Z: 110 81.670 2.316 0.806 0.662 0.936 0.670 CB 1.721 110 residues pruned to eliminate duplicates Z: 29 22.049 2.141 0.733 0.472 0.893 0.393 CB 1.294 29 residues pruned to eliminate duplicates Z: 63 38.772 2.120 0.584 0.553 0.919 0.532 CB 1.515 63 residues pruned to eliminate duplicates Z: 36 23.595 1.976 0.320 0.663 0.943 0.657 CB 1.395 36 residues pruned to eliminate duplicates Z: 93 73.093 2.372 0.755 0.638 0.902 0.652 CB 1.782 93 residues pruned to eliminate duplicates Z: 34 22.916 1.938 0.497 0.642 0.939 0.545 CB 1.281 34 residues pruned to eliminate duplicates Z: 72 51.497 2.184 0.770 0.644 0.887 0.535 CB 1.558 72 residues pruned to eliminate duplicates Z: 111 78.096 2.293 0.745 0.658 0.936 0.682 CB 1.716 111 residues pruned to eliminate duplicates Z: 48 20.712 1.921 0.406 0.528 0.830 0.468 CB 1.312 48 residues pruned to eliminate duplicates Z: 94 71.239 2.335 0.779 0.631 0.892 0.548 CB 1.762 94 residues pruned to eliminate duplicates Z: 72 46.510 2.184 0.621 0.610 0.901 0.620 CB 1.558 72 residues pruned to eliminate duplicates Z: 18 15.051 2.082 0.509 0.547 0.882 0.529 CB 1.258 18 residues pruned to eliminate duplicates Z: 71 49.974 2.206 0.734 0.602 0.900 0.571 CB 1.575 71 residues pruned to eliminate duplicates Z: 113 69.793 2.289 0.641 0.637 0.902 0.616 CB 1.712 113 residues pruned to eliminate duplicates Z: 93 81.474 2.368 0.841 0.640 0.957 0.576 CB 1.786 93 residues pruned to eliminate duplicates Z: 111 83.301 2.307 0.801 0.667 0.945 0.600 CB 1.732 111 residues pruned to eliminate duplicates Z: 39 41.866 2.322 0.805 0.580 0.868 0.605 CA 1.727 39 residues pruned to eliminate duplicates Z: 111 75.516 2.302 0.697 0.664 0.918 0.627 CB 1.725 111 residues pruned to eliminate duplicates Z: 97 69.906 2.304 0.744 0.637 0.917 0.615 CB 1.704 97 residues pruned to eliminate duplicates Z: 93 71.679 2.337 0.777 0.624 0.913 0.641 CB 1.754 93 residues pruned to eliminate duplicates Z: 93 70.873 2.355 0.756 0.623 0.902 0.587 CB 1.763 93 residues pruned to eliminate duplicates Z: 93 76.321 2.370 0.774 0.636 0.935 0.663 CB 1.782 93 residues pruned to eliminate duplicates Z: 81 68.170 2.317 0.869 0.611 0.925 0.538 CB 1.713 81 residues pruned to eliminate duplicates Z: 62 41.680 2.138 0.626 0.568 0.934 0.590 CB 1.538 61 residues pruned to eliminate duplicates Z: 15 37.191 2.398 1.163 0.854 0.929 0.857 CA 1.524 15 residues pruned to eliminate duplicates Z: 113 74.765 2.277 0.685 0.648 0.955 0.634 CB 1.680 113 residues pruned to eliminate duplicates Z: 94 61.150 2.231 0.761 0.588 0.882 0.473 CB 1.682 94 residues pruned to eliminate duplicates Z: 60 73.499 2.482 0.830 0.683 0.932 0.695 CA 1.911 60 residues pruned to eliminate duplicates Z: 91 77.238 2.363 0.908 0.627 0.900 0.600 CB 1.780 91 residues pruned to eliminate duplicates Z: 81 49.393 2.145 0.668 0.585 0.900 0.562 CB 1.580 81 residues pruned to eliminate duplicates Z: 16 39.467 2.430 1.152 0.812 0.933 0.800 CA 1.591 16 residues pruned to eliminate duplicates Z: 111 82.095 2.309 0.753 0.667 0.964 0.618 CB 1.719 111 residues pruned to eliminate duplicates Z: 39 45.503 2.312 0.856 0.563 0.921 0.605 CB 1.757 39 residues pruned to eliminate duplicates Z: 74 82.948 2.463 0.839 0.680 0.945 0.658 CB 1.922 74 residues pruned to eliminate duplicates Z: 111 76.548 2.293 0.680 0.656 0.964 0.664 CB 1.701 112 residues pruned to eliminate duplicates Z: 7 9.184 2.046 0.685 0.407 0.833 0.167 CA 1.439 7 residues pruned to eliminate duplicates Z: 105 74.714 2.289 0.633 0.669 0.962 0.702 CB 1.744 105 residues pruned to eliminate duplicates Z: 110 75.570 2.310 0.669 0.653 0.945 0.596 CB 1.724 110 residues pruned to eliminate duplicates Z: 98 72.048 2.274 0.816 0.641 0.928 0.660 CB 1.674 98 residues pruned to eliminate duplicates Z: 113 72.395 2.288 0.671 0.641 0.929 0.616 CB 1.689 113 residues pruned to eliminate duplicates Z: 52 66.712 2.425 0.757 0.742 0.922 0.686 CB 1.916 52 residues pruned to eliminate duplicates Z: 58 76.575 2.461 1.074 0.672 0.912 0.632 CB 1.858 58 residues pruned to eliminate duplicates Z: 110 84.062 2.322 0.780 0.675 0.963 0.697 CB 1.721 110 residues pruned to eliminate duplicates Z: 73 85.369 2.458 0.895 0.705 0.931 0.694 CA 1.926 73 residues pruned to eliminate duplicates Z: 111 77.925 2.307 0.754 0.657 0.927 0.645 CB 1.711 111 residues pruned to eliminate duplicates Z: 52 68.868 2.390 0.802 0.727 0.961 0.745 CB 1.899 52 residues pruned to eliminate duplicates Z: 64 73.277 2.449 0.967 0.617 0.905 0.635 CA 1.896 64 residues pruned to eliminate duplicates Z: 62 79.605 2.460 0.926 0.667 0.967 0.770 CA 1.905 62 residues pruned to eliminate duplicates Z: 61 71.991 2.450 0.791 0.675 0.933 0.600 CB 1.932 61 residues pruned to eliminate duplicates Z: 93 77.716 2.360 0.757 0.657 0.946 0.674 CB 1.786 93 residues pruned to eliminate duplicates Z: 110 77.637 2.311 0.772 0.661 0.927 0.624 CB 1.688 110 residues pruned to eliminate duplicates Z: 93 70.077 2.333 0.758 0.648 0.902 0.630 CB 1.720 93 residues pruned to eliminate duplicates Z: 92 68.455 2.293 0.805 0.610 0.923 0.538 CB 1.691 92 residues pruned to eliminate duplicates Z: 38 56.508 2.356 0.831 0.732 0.946 0.757 CB 1.848 38 residues pruned to eliminate duplicates Z: 39 52.654 2.360 0.819 0.694 0.921 0.553 CB 1.810 39 residues pruned to eliminate duplicates Z: 39 56.616 2.361 0.935 0.675 0.921 0.605 CB 1.858 39 residues pruned to eliminate duplicates Z: 52 76.838 2.434 0.887 0.751 0.980 0.647 CB 1.909 52 residues pruned to eliminate duplicates Z: 38 51.803 2.403 0.833 0.678 0.919 0.622 CB 1.786 38 residues pruned to eliminate duplicates Z: 75 91.296 2.447 0.986 0.704 0.946 0.608 CB 1.918 75 residues pruned to eliminate duplicates Z: 108 65.476 2.262 0.671 0.626 0.879 0.579 CB 1.693 108 residues pruned to eliminate duplicates Z: 38 51.091 2.383 0.851 0.665 0.919 0.514 CB 1.778 30 residues pruned to eliminate duplicates Z: 21 61.824 2.476 1.234 0.911 0.950 0.750 CA 1.865 21 residues pruned to eliminate duplicates Z: 54 63.309 2.363 0.887 0.694 0.906 0.660 CB 1.804 54 residues pruned to eliminate duplicates Z: 74 84.735 2.458 0.895 0.695 0.945 0.616 CB 1.885 74 residues pruned to eliminate duplicates Z: 37 58.474 2.367 0.950 0.733 0.917 0.556 CB 1.869 8 residues pruned to eliminate duplicates Z: 19 77.071 2.592 1.459 0.956 1.000 0.778 CA 1.957 19 residues pruned to eliminate duplicates Z: 109 74.018 2.310 0.695 0.651 0.926 0.620 CB 1.707 109 residues pruned to eliminate duplicates Z: 49 78.523 2.495 0.941 0.775 0.958 0.479 CB 1.916 49 residues pruned to eliminate duplicates Z: 114 74.739 2.277 0.699 0.648 0.929 0.566 CB 1.703 114 residues pruned to eliminate duplicates Z: 37 60.974 2.429 0.977 0.711 0.917 0.528 CB 1.907 37 residues pruned to eliminate duplicates Z: 64 77.228 2.420 1.050 0.634 0.921 0.540 CB 1.878 64 residues pruned to eliminate duplicates Z: 37 51.611 2.318 0.860 0.681 0.944 0.528 CB 1.789 37 residues pruned to eliminate duplicates Z: 38 61.468 2.388 1.003 0.708 0.973 0.514 CB 1.797 38 residues pruned to eliminate duplicates Z: 92 75.809 2.364 0.783 0.657 0.912 0.659 CB 1.787 92 residues pruned to eliminate duplicates Z: 38 54.123 2.358 0.888 0.718 0.892 0.595 CB 1.839 38 residues pruned to eliminate duplicates Z: 38 56.596 2.368 0.887 0.706 0.946 0.514 CB 1.825 38 residues pruned to eliminate duplicates Z: 38 62.357 2.391 1.018 0.719 0.946 0.622 CB 1.842 38 residues pruned to eliminate duplicates Z: 38 47.871 2.283 0.843 0.655 0.919 0.649 CA 1.762 38 residues pruned to eliminate duplicates Z: 41 54.040 2.288 0.933 0.672 0.900 0.525 CB 1.831 41 residues pruned to eliminate duplicates Z: 37 52.024 2.423 0.827 0.681 0.889 0.667 CB 1.864 37 residues pruned to eliminate duplicates Z: 12 23.162 2.332 0.376 0.831 0.909 0.636 CB 1.798 12 residues pruned to eliminate duplicates Z: 12 24.369 2.385 0.565 0.674 0.909 0.727 CB 1.844 Z: 16 30.665 2.307 0.371 0.867 1.000 0.667 CB 1.831 28 residues pruned to eliminate duplicates Z: 9 23.988 2.436 0.333 0.832 1.000 0.625 CB 1.960 9 residues pruned to eliminate duplicates Z: 10 25.987 2.495 0.672 0.699 0.889 0.444 CB 1.948 Z: 10 23.318 2.278 0.665 0.805 0.889 0.667 CB 1.767 20 residues pruned to eliminate duplicates Z: 114 70.869 2.239 0.742 0.646 0.903 0.611 CB 1.652 114 residues pruned to eliminate duplicates Z: 37 61.925 2.438 0.912 0.726 0.972 0.667 CB 1.858 37 residues pruned to eliminate duplicates Z: 30 22.960 1.934 0.375 0.787 0.966 0.759 CB 1.290 30 residues pruned to eliminate duplicates Z: 30 28.369 1.968 0.522 0.816 1.000 0.759 CB 1.336 30 residues pruned to eliminate duplicates Z: 12 15.408 1.704 0.583 0.850 1.000 0.818 CB 1.276 11 residues pruned to eliminate duplicates Z: 11 15.365 1.788 0.643 0.897 1.000 0.800 CB 1.184 11 residues pruned to eliminate duplicates Z: 10 13.759 1.855 0.521 0.899 1.000 0.889 CB 1.161 10 residues pruned to eliminate duplicates Z: 29 26.135 1.943 0.507 0.807 1.000 0.750 CB 1.291 29 residues pruned to eliminate duplicates Z: 26 17.825 1.806 0.497 0.747 0.920 0.640 CB 1.149 26 residues pruned to eliminate duplicates Z: 31 27.972 1.931 0.545 0.837 1.000 0.900 CB 1.280 31 residues pruned to eliminate duplicates Z: 33 26.310 1.889 0.556 0.838 0.969 0.781 CB 1.221 33 residues pruned to eliminate duplicates Z: 30 25.897 1.960 0.517 0.799 0.966 0.759 CB 1.290 30 residues pruned to eliminate duplicates Z: 21 18.959 1.852 0.560 0.727 0.900 0.650 CB 1.328 21 residues pruned to eliminate duplicates Z: 31 24.057 1.909 0.366 0.803 1.000 0.767 CB 1.293 31 residues pruned to eliminate duplicates Z: 25 21.806 1.912 0.542 0.749 0.958 0.708 CB 1.261 25 residues pruned to eliminate duplicates Z: 32 30.019 1.927 0.711 0.840 0.935 0.742 CB 1.305 32 residues pruned to eliminate duplicates Z: 31 27.829 1.957 0.574 0.806 1.000 0.733 CB 1.262 31 residues pruned to eliminate duplicates Z: 44 28.938 1.880 0.519 0.789 1.000 0.628 CB 1.199 44 residues pruned to eliminate duplicates Z: 28 24.580 1.902 0.735 0.743 0.926 0.519 CB 1.246 28 residues pruned to eliminate duplicates Z: 32 34.310 1.946 0.767 0.857 1.000 0.613 CB 1.320 32 residues pruned to eliminate duplicates Z: 32 28.863 1.925 0.736 0.789 0.935 0.581 CB 1.287 32 residues pruned to eliminate duplicates Z: 32 33.070 1.922 0.777 0.855 1.000 0.548 CB 1.283 32 residues pruned to eliminate duplicates Z: 32 32.991 1.935 0.775 0.849 1.000 0.613 CB 1.279 32 residues pruned to eliminate duplicates Z: 23 26.223 1.932 0.851 0.739 0.955 0.409 CB 1.323 23 residues pruned to eliminate duplicates Z: 30 33.025 1.969 0.848 0.837 0.931 0.655 CB 1.353 30 residues pruned to eliminate duplicates Z: 33 32.356 1.923 0.671 0.861 0.969 0.688 CB 1.350 33 residues pruned to eliminate duplicates Z: 30 29.625 1.963 0.761 0.811 0.931 0.586 CB 1.304 30 residues pruned to eliminate duplicates Z: 32 31.848 1.930 0.753 0.859 0.968 0.871 CB 1.285 32 residues pruned to eliminate duplicates Z: 31 31.258 1.944 0.790 0.788 0.967 0.500 CB 1.317 31 residues pruned to eliminate duplicates Z: 25 30.649 1.895 0.911 0.811 1.000 0.500 CB 1.318 25 residues pruned to eliminate duplicates Z: 50 30.299 1.915 0.615 0.707 0.939 0.592 CB 1.235 50 residues pruned to eliminate duplicates Z: 21 24.615 1.941 0.937 0.878 0.900 0.550 CB 1.180 21 residues pruned to eliminate duplicates Z: 49 32.955 1.939 0.606 0.745 0.938 0.542 CB 1.309 49 residues pruned to eliminate duplicates Z: 57 30.194 1.908 0.492 0.664 0.946 0.607 CB 1.286 57 residues pruned to eliminate duplicates Z: 32 25.429 1.969 0.639 0.647 0.903 0.516 CB 1.365 32 residues pruned to eliminate duplicates Z: 48 28.678 1.942 0.552 0.666 0.936 0.489 CB 1.272 48 residues pruned to eliminate duplicates Z: 47 24.337 1.909 0.467 0.621 0.913 0.478 CB 1.251 47 residues pruned to eliminate duplicates Z: 47 25.021 1.857 0.546 0.652 0.891 0.500 CB 1.251 47 residues pruned to eliminate duplicates Z: 21 15.129 1.914 0.406 0.509 0.900 0.450 CB 1.384 21 residues pruned to eliminate duplicates Z: 42 24.572 1.870 0.604 0.609 0.927 0.610 CB 1.244 42 residues pruned to eliminate duplicates Z: 17 15.548 1.975 0.312 0.688 0.938 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 20 14.200 1.845 0.465 0.532 0.842 0.474 CB 1.387 20 residues pruned to eliminate duplicates Z: 17 16.784 1.990 0.351 0.613 0.938 0.438 CB 1.496 17 residues pruned to eliminate duplicates Z: 29 22.235 1.907 0.436 0.585 1.000 0.607 CB 1.415 29 residues pruned to eliminate duplicates Z: 21 14.807 1.902 0.272 0.526 0.950 0.550 CB 1.404 21 residues pruned to eliminate duplicates Z: 29 13.726 1.786 0.360 0.465 0.857 0.607 CB 1.291 29 residues pruned to eliminate duplicates Z: 20 15.752 1.925 0.412 0.522 0.895 0.526 CB 1.454 20 residues pruned to eliminate duplicates Z: 23 13.605 1.832 0.406 0.481 0.909 0.591 CB 1.263 23 residues pruned to eliminate duplicates Z: 33 21.707 1.863 0.387 0.642 0.969 0.656 CB 1.343 33 residues pruned to eliminate duplicates Z: 18 17.404 1.926 0.409 0.656 1.000 0.647 CB 1.346 18 residues pruned to eliminate duplicates Z: 30 22.938 1.899 0.534 0.665 0.931 0.690 CB 1.348 30 residues pruned to eliminate duplicates Z: 57 31.239 1.890 0.667 0.677 0.911 0.500 CB 1.236 57 residues pruned to eliminate duplicates Z: 12 12.677 1.849 0.403 0.748 1.000 0.818 CB 1.181 12 residues pruned to eliminate duplicates Z: 34 19.800 1.833 0.312 0.652 0.939 0.636 CB 1.324 34 residues pruned to eliminate duplicates Z: 41 28.113 1.939 0.690 0.652 0.875 0.525 CB 1.346 41 residues pruned to eliminate duplicates Z: 44 30.023 1.924 0.667 0.720 0.907 0.349 CB 1.290 44 residues pruned to eliminate duplicates Z: 112 50.889 2.042 0.680 0.605 0.928 0.577 CB 1.373 157 residues pruned to eliminate duplicates Z: 12 16.577 1.734 0.601 0.904 1.000 0.545 CB 1.283 12 residues pruned to eliminate duplicates Z: 31 22.309 1.888 0.576 0.629 0.933 0.633 CB 1.299 31 residues pruned to eliminate duplicates Z: 30 23.112 1.895 0.554 0.656 0.966 0.552 CB 1.306 30 residues pruned to eliminate duplicates Z: 76 29.361 1.910 0.420 0.609 0.880 0.480 CB 1.281 76 residues pruned to eliminate duplicates Z: 89 40.082 1.910 0.597 0.695 0.909 0.580 CB 1.289 89 residues pruned to eliminate duplicates Z: 33 24.249 1.855 0.650 0.653 0.938 0.562 CB 1.296 33 residues pruned to eliminate duplicates Z: 20 17.405 1.878 0.545 0.603 1.000 0.421 CB 1.248 20 residues pruned to eliminate duplicates Z: 53 32.311 1.963 0.682 0.611 0.942 0.519 CB 1.296 53 residues pruned to eliminate duplicates Z: 76 28.072 1.895 0.469 0.599 0.907 0.427 CB 1.169 76 residues pruned to eliminate duplicates Z: 82 39.222 1.931 0.692 0.683 0.877 0.481 CB 1.287 82 residues pruned to eliminate duplicates Z: 82 38.627 1.948 0.611 0.675 0.901 0.556 CB 1.291 82 residues pruned to eliminate duplicates Z: 53 20.966 1.879 0.421 0.536 0.904 0.462 CB 1.163 53 residues pruned to eliminate duplicates Z: 27 16.769 1.963 0.445 0.638 0.808 0.462 CB 1.261 Z: 9 8.877 1.539 0.318 0.882 1.000 0.875 CB 1.120 9 residues pruned to eliminate duplicates Z: 7 10.956 1.933 0.377 0.865 1.000 0.833 CB 1.231 7 residues pruned to eliminate duplicates Z: 82 34.438 1.909 0.517 0.681 0.926 0.617 CB 1.208 109 residues pruned to eliminate duplicates Z: 74 32.218 1.937 0.494 0.629 0.959 0.507 CB 1.203 74 residues pruned to eliminate duplicates Z: 26 16.313 1.968 0.280 0.679 0.920 0.640 CB 1.194 Z: 8 13.025 1.988 0.539 0.677 1.000 0.429 CB 1.368 8 residues pruned to eliminate duplicates Z: 38 19.205 1.948 0.412 0.573 0.919 0.514 CB 1.163 64 residues pruned to eliminate duplicates Z: 75 29.289 1.935 0.369 0.614 0.946 0.500 CB 1.220 75 residues pruned to eliminate duplicates Z: 64 23.566 1.880 0.304 0.598 0.905 0.508 CB 1.220 64 residues pruned to eliminate duplicates Z: 60 27.114 2.039 0.451 0.569 0.898 0.525 CB 1.243 60 residues pruned to eliminate duplicates Z: 60 27.369 1.896 0.500 0.616 0.915 0.542 CB 1.227 60 residues pruned to eliminate duplicates Z: 63 25.671 1.895 0.399 0.593 0.871 0.500 CB 1.292 63 residues pruned to eliminate duplicates Z: 74 29.287 1.924 0.423 0.600 0.945 0.507 CB 1.204 74 residues pruned to eliminate duplicates Z: 28 20.187 1.974 0.412 0.622 1.000 0.630 CB 1.243 Z: 19 20.063 1.959 0.614 0.705 0.889 0.389 CB 1.396 12 residues pruned to eliminate duplicates Z: 19 19.234 1.878 0.584 0.737 0.944 0.722 CB 1.305 19 residues pruned to eliminate duplicates Z: 61 23.183 1.894 0.347 0.598 0.867 0.517 CB 1.233 96 residues pruned to eliminate duplicates Z: 44 19.729 1.922 0.312 0.594 0.907 0.395 CB 1.202 44 residues pruned to eliminate duplicates Z: 98 37.260 1.968 0.493 0.617 0.928 0.608 CB 1.243 98 residues pruned to eliminate duplicates Z: 54 25.116 1.890 0.443 0.622 0.906 0.434 CB 1.245 54 residues pruned to eliminate duplicates Z: 70 26.752 1.972 0.364 0.563 0.899 0.464 CB 1.253 70 residues pruned to eliminate duplicates Z: 35 21.943 1.995 0.454 0.611 0.912 0.382 CB 1.280 Z: 13 17.079 2.082 0.467 0.718 0.917 0.333 CB 1.446 13 residues pruned to eliminate duplicates Z: 37 17.449 1.875 0.333 0.557 0.917 0.639 CB 1.201 37 residues pruned to eliminate duplicates Z: 13 12.362 2.082 0.162 0.688 0.833 0.500 CB 1.490 13 residues pruned to eliminate duplicates Z: 39 23.052 2.099 0.437 0.566 0.921 0.579 CB 1.264 39 residues pruned to eliminate duplicates Z: 128 56.077 2.108 0.584 0.650 0.921 0.614 CB 1.406 163 residues pruned to eliminate duplicates Z: 31 27.502 2.165 0.476 0.698 0.967 0.733 CB 1.357 31 residues pruned to eliminate duplicates Z: 14 13.611 2.098 0.194 0.676 0.923 0.615 CB 1.388 Z: 10 17.518 2.176 0.318 0.814 1.000 0.667 CB 1.549 11 residues pruned to eliminate duplicates Z: 9 13.001 2.182 0.167 0.805 0.875 0.750 CA 1.580 9 residues pruned to eliminate duplicates Z: 24 12.786 1.802 0.387 0.592 0.783 0.478 CB 1.248 37 residues pruned to eliminate duplicates Z: 13 14.926 2.075 0.334 0.697 0.917 0.583 CB 1.419 Z: 12 16.286 2.114 0.275 0.793 1.000 0.636 CB 1.409 13 residues pruned to eliminate duplicates Z: 12 16.104 2.070 0.343 0.762 1.000 0.636 CB 1.384 12 residues pruned to eliminate duplicates Z: 13 19.104 2.093 0.500 0.765 1.000 0.583 CB 1.389 12 residues pruned to eliminate duplicates Z: 18 11.953 1.979 0.089 0.635 0.882 0.588 CB 1.344 17 residues pruned to eliminate duplicates Z: 14 34.666 2.315 1.039 0.837 1.000 0.846 CB 1.523 14 residues pruned to eliminate duplicates Z: 31 27.417 2.157 0.483 0.684 0.933 0.667 CB 1.417 31 residues pruned to eliminate duplicates Z: 23 26.008 2.068 1.039 0.577 0.864 0.500 CB 1.414 23 residues pruned to eliminate duplicates Z: 72 56.462 2.217 0.721 0.715 0.944 0.704 CB 1.532 72 residues pruned to eliminate duplicates Z: 32 28.997 2.174 0.525 0.670 0.968 0.645 CB 1.388 46 residues pruned to eliminate duplicates Z: 25 22.843 2.109 0.752 0.574 0.875 0.583 CB 1.343 25 residues pruned to eliminate duplicates Z: 25 22.426 2.056 0.877 0.538 0.875 0.583 CB 1.306 25 residues pruned to eliminate duplicates Z: 30 18.402 1.995 0.536 0.545 0.897 0.655 CB 1.190 30 residues pruned to eliminate duplicates Z: 25 20.618 2.052 0.699 0.532 0.917 0.500 CB 1.276 25 residues pruned to eliminate duplicates Z: 31 29.436 2.177 0.633 0.683 0.933 0.600 CB 1.369 31 residues pruned to eliminate duplicates Z: 34 25.858 2.124 0.577 0.595 0.909 0.485 CB 1.350 34 residues pruned to eliminate duplicates Z: 38 24.671 2.105 0.511 0.586 0.865 0.622 CB 1.357 38 residues pruned to eliminate duplicates Z: 90 55.760 2.153 0.651 0.693 0.955 0.697 CB 1.459 90 residues pruned to eliminate duplicates Z: 41 26.429 2.080 0.576 0.558 0.925 0.575 CB 1.301 41 residues pruned to eliminate duplicates Z: 39 22.530 1.965 0.522 0.585 0.895 0.632 CB 1.260 39 residues pruned to eliminate duplicates Z: 24 26.279 2.145 0.805 0.577 0.957 0.609 CB 1.374 24 residues pruned to eliminate duplicates Z: 89 55.690 2.183 0.623 0.680 0.943 0.648 CB 1.505 89 residues pruned to eliminate duplicates Z: 25 20.114 2.034 0.661 0.562 0.875 0.750 CB 1.309 25 residues pruned to eliminate duplicates Z: 25 25.374 2.064 0.782 0.544 0.958 0.583 CB 1.408 25 residues pruned to eliminate duplicates Z: 48 24.780 2.009 0.585 0.536 0.872 0.511 CB 1.256 48 residues pruned to eliminate duplicates Z: 72 55.435 2.196 0.724 0.706 0.930 0.690 CB 1.550 72 residues pruned to eliminate duplicates Z: 73 51.532 2.184 0.615 0.709 0.931 0.764 CB 1.531 73 residues pruned to eliminate duplicates Z: 89 58.782 2.186 0.701 0.709 0.943 0.705 CB 1.478 88 residues pruned to eliminate duplicates Z: 13 15.142 1.775 0.551 0.771 1.000 0.750 CB 1.249 13 residues pruned to eliminate duplicates Z: 70 59.066 2.248 0.670 0.727 0.971 0.768 CB 1.591 70 residues pruned to eliminate duplicates Z: 87 57.790 2.179 0.640 0.705 0.965 0.744 CB 1.498 87 residues pruned to eliminate duplicates Z: 73 59.821 2.207 0.752 0.728 0.972 0.694 CB 1.527 73 residues pruned to eliminate duplicates Z: 87 59.048 2.172 0.720 0.718 0.977 0.698 CB 1.432 87 residues pruned to eliminate duplicates Z: 32 41.840 2.268 0.844 0.668 0.903 0.710 CB 1.704 32 residues pruned to eliminate duplicates Z: 55 47.789 2.193 0.642 0.748 0.926 0.704 CB 1.562 55 residues pruned to eliminate duplicates Z: 87 58.674 2.210 0.673 0.690 0.953 0.698 CB 1.509 89 residues pruned to eliminate duplicates Z: 31 46.235 2.228 0.599 0.859 1.000 0.833 CB 1.743 31 residues pruned to eliminate duplicates Z: 71 58.618 2.235 0.734 0.717 0.957 0.714 CB 1.552 71 residues pruned to eliminate duplicates Z: 85 58.784 2.168 0.773 0.668 0.952 0.536 CB 1.501 85 residues pruned to eliminate duplicates Z: 53 53.609 2.240 0.713 0.739 0.981 0.692 CB 1.594 53 residues pruned to eliminate duplicates Z: 39 54.875 2.344 0.885 0.771 0.921 0.711 CB 1.720 39 residues pruned to eliminate duplicates Z: 87 58.999 2.221 0.744 0.686 0.919 0.674 CB 1.508 87 residues pruned to eliminate duplicates Z: 74 56.743 2.197 0.789 0.699 0.932 0.630 CB 1.513 74 residues pruned to eliminate duplicates Z: 74 59.571 2.208 0.798 0.703 0.945 0.630 CB 1.545 72 residues pruned to eliminate duplicates Z: 20 53.086 2.324 0.991 0.941 1.000 0.684 CA 1.827 20 residues pruned to eliminate duplicates Z: 46 64.628 2.342 0.960 0.804 0.978 0.689 CB 1.647 46 residues pruned to eliminate duplicates Z: 74 58.813 2.231 0.796 0.689 0.945 0.575 CB 1.528 76 residues pruned to eliminate duplicates Z: 22 55.738 2.275 1.082 0.937 1.000 0.571 CA 1.787 22 residues pruned to eliminate duplicates Z: 52 59.716 2.252 0.842 0.776 0.980 0.725 CB 1.612 51 residues pruned to eliminate duplicates Z: 21 54.459 2.319 1.067 0.935 1.000 0.700 CA 1.770 21 residues pruned to eliminate duplicates Z: 56 45.675 2.148 0.705 0.712 0.909 0.582 CB 1.527 56 residues pruned to eliminate duplicates Z: 87 54.748 2.205 0.697 0.669 0.930 0.581 CB 1.450 87 residues pruned to eliminate duplicates Z: 87 58.854 2.196 0.776 0.675 0.930 0.616 CB 1.489 87 residues pruned to eliminate duplicates Z: 88 57.002 2.196 0.691 0.686 0.943 0.621 CB 1.472 88 residues pruned to eliminate duplicates Z: 87 60.459 2.180 0.790 0.698 0.953 0.628 CB 1.462 87 residues pruned to eliminate duplicates Z: 75 60.906 2.173 0.851 0.706 0.959 0.662 CB 1.522 75 residues pruned to eliminate duplicates Z: 73 62.167 2.224 0.899 0.681 0.958 0.611 CB 1.533 73 residues pruned to eliminate duplicates Z: 69 52.627 2.204 0.800 0.684 0.912 0.618 CB 1.490 69 residues pruned to eliminate duplicates Z: 73 56.528 2.224 0.738 0.708 0.931 0.681 CB 1.534 73 residues pruned to eliminate duplicates Z: 149 61.074 2.077 0.612 0.653 0.939 0.622 CB 1.385 149 residues pruned to eliminate duplicates Z: 48 61.707 2.294 0.784 0.810 1.000 0.745 CB 1.678 48 residues pruned to eliminate duplicates Z: 87 60.425 2.209 0.782 0.695 0.953 0.570 CB 1.453 87 residues pruned to eliminate duplicates Z: 71 59.148 2.225 0.837 0.714 0.929 0.600 CB 1.534 71 residues pruned to eliminate duplicates Z: 53 53.402 2.259 0.833 0.735 0.923 0.481 CB 1.568 53 residues pruned to eliminate duplicates Z: 55 49.987 2.216 0.708 0.718 0.944 0.630 CB 1.562 55 residues pruned to eliminate duplicates Z: 49 59.330 2.281 0.888 0.799 0.979 0.667 CB 1.564 49 residues pruned to eliminate duplicates Z: 87 60.251 2.219 0.727 0.694 0.953 0.570 CB 1.489 87 residues pruned to eliminate duplicates Z: 86 58.178 2.216 0.740 0.695 0.918 0.659 CB 1.492 86 residues pruned to eliminate duplicates Z: 53 58.018 2.229 0.919 0.748 0.962 0.654 CB 1.568 53 residues pruned to eliminate duplicates Z: 73 58.083 2.210 0.781 0.715 0.944 0.542 CB 1.515 73 residues pruned to eliminate duplicates Z: 51 57.588 2.255 0.912 0.766 0.920 0.560 CB 1.622 51 residues pruned to eliminate duplicates Z: 53 55.937 2.245 0.789 0.740 0.981 0.538 CB 1.588 53 residues pruned to eliminate duplicates Z: 51 51.005 2.215 0.884 0.736 0.920 0.520 CB 1.520 51 residues pruned to eliminate duplicates Z: 89 49.451 2.030 0.598 0.711 0.966 0.727 CB 1.390 89 residues pruned to eliminate duplicates Z: 70 44.264 2.067 0.470 0.706 0.986 0.754 CB 1.476 69 residues pruned to eliminate duplicates Z: 12 12.634 1.811 0.192 0.926 1.000 0.909 CB 1.238 12 residues pruned to eliminate duplicates Z: 67 46.606 2.123 0.528 0.739 0.970 0.712 CB 1.472 67 residues pruned to eliminate duplicates Z: 13 14.918 1.756 0.343 0.932 1.000 0.917 CB 1.274 13 residues pruned to eliminate duplicates Z: 13 13.724 1.757 0.337 0.920 1.000 0.917 CB 1.188 13 residues pruned to eliminate duplicates Z: 13 16.617 1.785 0.532 0.898 1.000 0.750 CB 1.254 13 residues pruned to eliminate duplicates Z: 14 15.204 1.753 0.331 0.889 1.000 0.846 CB 1.301 14 residues pruned to eliminate duplicates Z: 36 40.815 2.136 0.671 0.835 0.971 0.800 CB 1.491 36 residues pruned to eliminate duplicates Z: 66 48.976 2.146 0.623 0.744 0.954 0.815 CB 1.470 66 residues pruned to eliminate duplicates Z: 67 47.807 2.130 0.619 0.722 0.955 0.773 CB 1.463 67 residues pruned to eliminate duplicates Z: 67 45.705 2.122 0.463 0.734 0.985 0.788 CB 1.492 67 residues pruned to eliminate duplicates Z: 67 46.164 2.106 0.582 0.718 0.970 0.652 CB 1.444 67 residues pruned to eliminate duplicates Z: 77 43.079 2.025 0.539 0.716 0.934 0.684 CB 1.395 77 residues pruned to eliminate duplicates Z: 66 51.190 2.138 0.666 0.743 0.969 0.723 CB 1.480 66 residues pruned to eliminate duplicates Z: 66 47.330 2.130 0.613 0.730 0.938 0.723 CB 1.480 66 residues pruned to eliminate duplicates Z: 67 47.440 2.125 0.577 0.728 0.939 0.697 CB 1.512 67 residues pruned to eliminate duplicates Z: 61 44.768 2.139 0.600 0.700 0.967 0.667 CB 1.456 61 residues pruned to eliminate duplicates Z: 68 46.996 2.099 0.550 0.720 1.000 0.687 CB 1.446 68 residues pruned to eliminate duplicates Z: 70 48.578 2.076 0.671 0.713 0.986 0.623 CB 1.411 70 residues pruned to eliminate duplicates Z: 67 52.247 2.136 0.691 0.728 0.985 0.682 CB 1.473 67 residues pruned to eliminate duplicates Z: 67 51.441 2.122 0.713 0.737 0.970 0.697 CB 1.453 67 residues pruned to eliminate duplicates Z: 67 48.106 2.121 0.699 0.715 0.924 0.667 CB 1.463 67 residues pruned to eliminate duplicates Z: 70 48.030 2.071 0.673 0.700 0.957 0.623 CB 1.454 70 residues pruned to eliminate duplicates Z: 67 52.265 2.133 0.716 0.740 0.970 0.591 CB 1.462 67 residues pruned to eliminate duplicates Z: 66 55.448 2.149 0.812 0.752 0.954 0.631 CB 1.479 66 residues pruned to eliminate duplicates Z: 66 50.652 2.139 0.729 0.725 0.938 0.631 CB 1.477 66 residues pruned to eliminate duplicates Z: 71 45.520 2.075 0.607 0.711 0.929 0.629 CB 1.450 71 residues pruned to eliminate duplicates Z: 69 50.839 2.093 0.783 0.716 0.941 0.603 CB 1.443 69 residues pruned to eliminate duplicates Z: 64 46.531 2.119 0.696 0.712 0.905 0.683 CB 1.487 64 residues pruned to eliminate duplicates Z: 70 52.003 2.087 0.737 0.718 0.971 0.623 CB 1.459 71 residues pruned to eliminate duplicates Z: 21 45.793 2.323 1.101 0.935 0.950 0.400 CB 1.540 21 residues pruned to eliminate duplicates Z: 67 47.094 2.127 0.673 0.730 0.909 0.636 CB 1.457 67 residues pruned to eliminate duplicates Z: 68 46.019 2.117 0.617 0.725 0.925 0.493 CB 1.449 68 residues pruned to eliminate duplicates Z: 66 46.384 2.136 0.646 0.741 0.908 0.600 CB 1.453 66 residues pruned to eliminate duplicates Z: 69 49.290 2.089 0.712 0.711 0.956 0.632 CB 1.443 69 residues pruned to eliminate duplicates Z: 66 51.574 2.142 0.686 0.750 0.954 0.662 CB 1.486 66 residues pruned to eliminate duplicates Z: 20 23.910 2.167 0.522 0.579 1.000 0.632 CB 1.541 20 residues pruned to eliminate duplicates Z: 66 50.435 2.137 0.690 0.748 0.938 0.662 CB 1.478 66 residues pruned to eliminate duplicates Z: 66 51.986 2.140 0.766 0.735 0.938 0.569 CB 1.472 66 residues pruned to eliminate duplicates Z: 66 53.535 2.149 0.735 0.744 0.985 0.692 CB 1.454 66 residues pruned to eliminate duplicates Z: 67 49.987 2.120 0.722 0.746 0.924 0.621 CB 1.463 67 residues pruned to eliminate duplicates Z: 91 46.544 2.030 0.596 0.717 0.900 0.533 CB 1.382 91 residues pruned to eliminate duplicates Z: 67 52.617 2.133 0.756 0.737 0.939 0.576 CB 1.488 67 residues pruned to eliminate duplicates Z: 69 53.791 2.102 0.782 0.712 0.956 0.544 CB 1.503 67 residues pruned to eliminate duplicates Z: 17 20.021 2.126 0.437 0.756 0.938 0.562 CB 1.391 17 residues pruned to eliminate duplicates Z: 54 47.525 2.199 0.738 0.733 0.943 0.623 CB 1.469 54 residues pruned to eliminate duplicates Z: 67 51.380 2.134 0.735 0.739 0.955 0.561 CB 1.444 67 residues pruned to eliminate duplicates Z: 66 52.048 2.130 0.688 0.757 0.969 0.631 CB 1.474 66 residues pruned to eliminate duplicates Z: 67 51.087 2.124 0.726 0.739 0.955 0.758 CB 1.450 67 residues pruned to eliminate duplicates Z: 65 53.946 2.163 0.747 0.757 0.969 0.594 CB 1.465 66 residues pruned to eliminate duplicates Z: 19 22.607 2.071 0.513 0.728 0.944 0.722 CB 1.466 19 residues pruned to eliminate duplicates Z: 67 55.737 2.139 0.747 0.752 0.985 0.621 CB 1.490 67 residues pruned to eliminate duplicates Z: 67 53.766 2.128 0.736 0.758 0.970 0.621 CB 1.468 67 residues pruned to eliminate duplicates Z: 67 53.114 2.125 0.711 0.743 0.970 0.576 CB 1.492 67 residues pruned to eliminate duplicates Z: 67 51.114 2.118 0.705 0.751 0.955 0.530 CB 1.458 67 residues pruned to eliminate duplicates Z: 32 35.698 2.127 0.703 0.662 0.968 0.677 CB 1.574 31 residues pruned to eliminate duplicates Z: 12 20.481 1.816 0.668 0.915 1.000 0.909 N 1.441 11 residues pruned to eliminate duplicates Z: 11 17.872 1.853 0.496 0.912 1.000 0.800 CB 1.444 11 residues pruned to eliminate duplicates Z: 68 52.898 2.115 0.756 0.741 0.955 0.582 CB 1.467 68 residues pruned to eliminate duplicates Z: 67 54.882 2.126 0.756 0.749 0.970 0.667 CB 1.494 67 residues pruned to eliminate duplicates Z: 68 52.092 2.110 0.720 0.763 0.955 0.582 CB 1.453 68 residues pruned to eliminate duplicates Z: 67 54.462 2.138 0.708 0.751 0.970 0.636 CB 1.512 67 residues pruned to eliminate duplicates Z: 65 53.234 2.103 0.765 0.738 0.953 0.703 CB 1.519 65 residues pruned to eliminate duplicates Z: 50 51.283 2.201 0.846 0.745 0.939 0.449 CB 1.542 50 residues pruned to eliminate duplicates Z: 67 55.449 2.128 0.743 0.758 0.985 0.561 CB 1.485 67 residues pruned to eliminate duplicates 313 residues left after pruning, divided into chains as follows: A: 110 B: 134 C: 69 CC for partial structure against native data = 36.82 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.534, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.600, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.710, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.715, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.724, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.728, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.732, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.734, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.735, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 0.736, Connect. = 0.812 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.03 - 3.19 - 2.78 - 2.52 - 2.34 - 2.20 - 2.09 - 2.00 - 1.92 - 1.85 0.707 0.712 0.679 0.699 0.683 0.644 0.594 0.542 0.524 0.490 0.857 0.884 0.838 0.846 0.825 0.774 0.719 0.657 0.630 0.590 N 3750 3763 3788 3831 3744 3809 3788 3690 3906 3390 Estimated mean FOM = 0.629 Pseudo-free CC = 65.31 % Best trace (cycle 3 with CC 40.45%) was saved as ./2ogi-1.9-parrot-noncs/2ogi-1.9-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.3 - Setup, data input and phasing 3.0 - FFTs and peak-searches 14.8 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 905.3 - Tripeptide search 8922.7 - Chain tracing 0.0 - NCS analysis 18.0 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:31:24 Total time: 9864.72 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 165.24 Used memory is bytes: 6163136