null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 20:46:01 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: ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.ins Phases from ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.phi Native data from ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.hkl Listing output to ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.lst Phases output to ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.phs Poly-Ala trace output to ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 72257 Reflections read from file ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.phi 72257 Reflections read from file ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.hkl 72257 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000057h^2 -0.000154k^2 +0.000033l^2 +0.000000kl +0.000174hl +0.000000hk 36 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 128 x 128 x 103 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 40 Extra Fourier layers will be generated <|E^2-1|> = 0.641 ** -f missing ?? ** = 0.300, Contrast = 0.335, Connect. = 0.764 for dens.mod. cycle 1 = 0.300, Contrast = 0.404, Connect. = 0.775 for dens.mod. cycle 2 = 0.300, Contrast = 0.483, Connect. = 0.797 for dens.mod. cycle 3 = 0.300, Contrast = 0.507, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 0.522, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.531, Connect. = 0.808 for dens.mod. cycle 6 = 0.300, Contrast = 0.539, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.544, Connect. = 0.810 for dens.mod. cycle 8 = 0.300, Contrast = 0.548, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 0.552, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3250 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 641 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 35.662 2.209 0.831 0.925 1.000 1.000 CB 1.654 B: 10 35.017 2.400 1.152 0.862 1.000 1.000 CB 1.659 C: 14 50.708 2.391 1.076 0.933 1.000 1.000 CB 1.978 15 residues pruned to eliminate duplicates D: 13 34.980 2.275 0.914 0.935 1.000 1.000 C 1.615 10 residues pruned to eliminate duplicates E: 13 34.606 2.359 0.902 0.867 1.000 0.833 CB 1.629 13 residues pruned to eliminate duplicates F: 7 22.537 2.435 0.711 0.670 1.000 0.833 C 1.887 G: 44 47.271 2.259 0.982 0.594 0.977 0.651 CB 1.508 18 residues pruned to eliminate duplicates H: 14 50.070 2.419 1.126 0.912 1.000 1.000 CB 1.912 I: 10 32.098 2.414 0.919 0.856 1.000 0.889 CB 1.703 10 residues pruned to eliminate duplicates J: 22 37.933 2.186 0.794 0.840 0.952 0.762 CB 1.654 K: 14 37.916 2.310 0.708 0.935 1.000 1.000 CA 1.857 14 residues pruned to eliminate duplicates L: 10 37.050 2.418 1.141 0.895 0.889 0.889 CB 1.923 10 residues pruned to eliminate duplicates M: 16 37.448 2.104 0.810 0.907 1.000 0.933 CA 1.805 16 residues pruned to eliminate duplicates N: 17 38.659 2.311 0.610 0.923 1.000 0.938 CB 1.825 O: 13 31.577 2.302 0.692 0.937 1.000 0.917 CB 1.629 13 residues pruned to eliminate duplicates P: 17 46.611 2.295 0.960 0.923 1.000 0.938 CB 1.821 17 residues pruned to eliminate duplicates Q: 13 33.506 2.306 0.780 0.895 1.000 0.833 CB 1.689 13 residues pruned to eliminate duplicates R: 46 39.882 2.201 0.722 0.609 0.978 0.733 CB 1.447 S: 15 36.070 2.241 0.620 0.898 1.000 0.929 CB 1.899 15 residues pruned to eliminate duplicates T: 14 34.836 2.144 0.864 0.918 1.000 0.846 CB 1.706 U: 10 52.913 2.451 1.549 0.932 1.000 0.778 CB 1.972 10 residues pruned to eliminate duplicates V: 13 42.024 2.432 0.770 0.931 1.000 0.917 C 1.969 13 residues pruned to eliminate duplicates W: 13 26.903 2.323 0.455 0.887 1.000 0.917 CB 1.657 13 residues pruned to eliminate duplicates X: 12 40.486 2.419 0.965 0.913 1.000 1.000 CB 1.817 12 residues pruned to eliminate duplicates Y: 11 40.753 2.424 1.242 0.856 1.000 0.900 CB 1.750 11 residues pruned to eliminate duplicates Z: 15 44.887 2.253 1.038 0.903 1.000 0.929 CA 1.862 15 residues pruned to eliminate duplicates Z: 14 42.926 2.325 0.872 0.917 1.000 0.923 CB 1.930 14 residues pruned to eliminate duplicates Z: 21 43.818 2.248 0.838 0.869 1.000 0.700 CB 1.733 22 residues pruned to eliminate duplicates Z: 11 20.704 2.096 0.531 0.847 1.000 0.800 CA 1.515 Z: 17 41.369 2.253 0.760 0.939 1.000 1.000 CA 1.813 Z: 14 43.216 2.409 0.881 0.941 1.000 1.000 CB 1.836 14 residues pruned to eliminate duplicates Z: 13 35.241 2.214 0.900 0.936 1.000 1.000 CB 1.684 13 residues pruned to eliminate duplicates Z: 14 44.516 2.362 0.899 0.923 1.000 1.000 CB 1.933 14 residues pruned to eliminate duplicates Z: 47 44.258 2.260 0.881 0.590 0.913 0.804 CB 1.542 18 residues pruned to eliminate duplicates Z: 13 32.124 2.354 0.730 0.870 1.000 0.917 CB 1.662 13 residues pruned to eliminate duplicates Z: 19 47.458 2.355 0.912 0.841 1.000 0.833 CB 1.852 21 residues pruned to eliminate duplicates Z: 17 41.736 2.251 1.012 0.859 0.938 0.812 CB 1.808 17 residues pruned to eliminate duplicates Z: 13 36.118 2.328 1.015 0.893 1.000 0.917 CB 1.596 13 residues pruned to eliminate duplicates Z: 14 46.756 2.354 0.969 0.937 1.000 1.000 CB 1.947 14 residues pruned to eliminate duplicates Z: 13 25.929 1.973 0.861 0.920 1.000 0.917 CA 1.435 13 residues pruned to eliminate duplicates Z: 18 35.138 2.239 0.641 0.878 1.000 0.941 CB 1.683 18 residues pruned to eliminate duplicates Z: 22 39.782 2.137 0.699 0.838 1.000 0.810 CA 1.787 20 residues pruned to eliminate duplicates Z: 18 44.859 2.259 0.885 0.901 1.000 0.882 CA 1.824 17 residues pruned to eliminate duplicates Z: 18 37.840 2.203 0.757 0.862 1.000 0.941 CA 1.742 18 residues pruned to eliminate duplicates Z: 25 36.716 2.163 0.789 0.749 0.958 0.583 CB 1.618 Z: 15 31.334 2.202 0.516 0.905 1.000 0.929 CA 1.785 15 residues pruned to eliminate duplicates Z: 47 40.192 2.203 0.734 0.611 0.978 0.696 CB 1.427 46 residues pruned to eliminate duplicates Z: 11 22.513 2.027 0.698 0.887 1.000 0.600 CB 1.491 11 residues pruned to eliminate duplicates Z: 18 32.770 2.168 0.813 0.866 0.882 0.824 CB 1.677 18 residues pruned to eliminate duplicates Z: 13 35.428 2.369 0.902 0.872 1.000 0.833 CB 1.655 13 residues pruned to eliminate duplicates Z: 42 49.738 2.291 0.995 0.598 0.951 0.707 CB 1.628 42 residues pruned to eliminate duplicates Z: 11 21.234 2.055 0.647 0.870 1.000 0.700 CA 1.448 11 residues pruned to eliminate duplicates Z: 20 42.512 2.323 0.805 0.879 1.000 0.789 CB 1.686 20 residues pruned to eliminate duplicates Z: 17 43.765 2.325 0.914 0.863 1.000 0.812 CB 1.805 17 residues pruned to eliminate duplicates Z: 7 12.167 2.228 0.198 0.625 1.000 0.667 CB 1.655 7 residues pruned to eliminate duplicates Z: 10 20.853 2.209 0.914 0.782 0.889 0.556 CA 1.443 11 residues pruned to eliminate duplicates Z: 9 11.252 1.913 0.891 0.395 0.875 0.625 C 1.403 Z: 35 29.199 2.163 0.685 0.554 0.912 0.735 CB 1.430 35 residues pruned to eliminate duplicates Z: 16 49.228 2.394 0.930 0.937 1.000 0.933 C 1.915 16 residues pruned to eliminate duplicates Z: 13 40.166 2.231 1.125 0.920 1.000 0.583 CB 1.722 13 residues pruned to eliminate duplicates Z: 12 24.675 2.200 0.614 0.847 1.000 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 12 36.776 2.306 1.044 0.925 1.000 0.909 CB 1.650 12 residues pruned to eliminate duplicates Z: 17 50.940 2.282 1.193 0.934 1.000 0.938 CB 1.775 17 residues pruned to eliminate duplicates Z: 14 43.712 2.372 0.852 0.941 1.000 1.000 CB 1.915 14 residues pruned to eliminate duplicates Z: 10 12.408 1.990 0.667 0.361 0.889 0.889 CB 1.629 Z: 17 47.173 2.268 0.951 0.945 1.000 1.000 CB 1.844 18 residues pruned to eliminate duplicates Z: 13 42.167 2.416 0.782 0.937 1.000 1.000 CB 1.967 13 residues pruned to eliminate duplicates Z: 17 41.398 2.291 0.806 0.933 1.000 1.000 CB 1.746 17 residues pruned to eliminate duplicates Z: 21 38.342 2.161 0.806 0.781 1.000 0.650 CA 1.715 21 residues pruned to eliminate duplicates Z: 13 28.713 2.228 0.641 0.873 0.917 0.833 CA 1.801 13 residues pruned to eliminate duplicates Z: 13 30.227 2.162 0.803 0.889 1.000 1.000 CB 1.612 13 residues pruned to eliminate duplicates Z: 27 29.468 2.187 0.726 0.612 1.000 0.731 CB 1.377 30 residues pruned to eliminate duplicates Z: 12 33.750 2.284 0.945 0.904 1.000 0.909 CB 1.632 12 residues pruned to eliminate duplicates Z: 11 30.491 2.341 0.635 0.911 1.000 1.000 CB 1.785 11 residues pruned to eliminate duplicates Z: 17 45.616 2.271 0.981 0.921 1.000 0.938 CB 1.785 17 residues pruned to eliminate duplicates Z: 15 42.392 2.249 0.939 0.933 1.000 0.857 CA 1.813 15 residues pruned to eliminate duplicates Z: 8 11.520 2.074 0.848 0.422 0.857 0.571 C 1.438 9 residues pruned to eliminate duplicates Z: 58 56.479 2.283 0.955 0.611 0.982 0.684 CB 1.536 57 residues pruned to eliminate duplicates Z: 20 34.951 2.008 0.861 0.856 1.000 0.632 CA 1.583 20 residues pruned to eliminate duplicates Z: 11 24.255 2.148 0.637 0.887 1.000 0.900 CB 1.572 11 residues pruned to eliminate duplicates Z: 12 31.417 2.219 0.807 0.886 1.000 0.818 CB 1.704 12 residues pruned to eliminate duplicates Z: 18 40.032 2.289 0.843 0.890 1.000 1.000 CB 1.656 18 residues pruned to eliminate duplicates Z: 13 20.521 2.068 0.665 0.874 1.000 0.917 CB 1.253 13 residues pruned to eliminate duplicates Z: 11 17.402 1.897 0.610 0.906 1.000 0.600 CB 1.281 Z: 16 47.097 2.310 1.071 0.915 1.000 0.933 CA 1.796 16 residues pruned to eliminate duplicates Z: 17 36.481 2.214 0.806 0.893 0.938 0.812 CB 1.746 17 residues pruned to eliminate duplicates Z: 14 50.201 2.403 1.170 0.920 1.000 0.923 CB 1.880 14 residues pruned to eliminate duplicates Z: 62 48.403 2.184 0.845 0.597 0.934 0.525 CB 1.501 42 residues pruned to eliminate duplicates Z: 19 44.873 2.315 1.032 0.833 1.000 0.556 CB 1.688 19 residues pruned to eliminate duplicates Z: 13 16.492 1.962 0.694 0.869 1.000 0.917 CB 1.046 13 residues pruned to eliminate duplicates Z: 19 42.831 2.132 1.299 0.801 0.944 0.778 CB 1.675 19 residues pruned to eliminate duplicates Z: 13 27.295 2.127 0.786 0.885 1.000 0.917 CB 1.497 13 residues pruned to eliminate duplicates Z: 13 32.983 2.186 0.881 0.900 1.000 0.833 CB 1.654 13 residues pruned to eliminate duplicates Z: 10 13.436 1.901 0.372 0.800 0.889 0.667 CB 1.487 Z: 13 33.126 2.149 0.922 0.883 1.000 0.917 CB 1.674 13 residues pruned to eliminate duplicates Z: 13 26.358 2.024 0.827 0.875 1.000 0.833 CB 1.496 13 residues pruned to eliminate duplicates Z: 13 22.872 2.043 0.579 0.816 1.000 0.917 CB 1.555 13 residues pruned to eliminate duplicates Z: 10 14.054 1.935 0.292 0.874 0.889 0.667 CB 1.534 10 residues pruned to eliminate duplicates Z: 9 15.602 2.221 0.170 0.825 1.000 0.750 CB 1.602 10 residues pruned to eliminate duplicates Z: 17 45.805 2.253 0.993 0.940 1.000 0.938 CA 1.771 17 residues pruned to eliminate duplicates Z: 7 22.148 2.375 0.526 0.878 1.000 0.833 CA 1.810 8 residues pruned to eliminate duplicates Z: 14 55.928 2.406 1.368 0.929 1.000 0.923 CB 1.906 14 residues pruned to eliminate duplicates Z: 13 31.511 2.229 0.812 0.868 0.917 0.833 CA 1.796 13 residues pruned to eliminate duplicates Z: 17 44.696 2.306 1.006 0.877 1.000 0.688 CB 1.754 16 residues pruned to eliminate duplicates Z: 17 51.820 2.230 1.324 0.934 1.000 0.938 CB 1.744 17 residues pruned to eliminate duplicates Z: 15 37.525 2.255 0.691 0.935 1.000 1.000 CB 1.833 15 residues pruned to eliminate duplicates Z: 14 35.391 2.354 0.584 0.943 1.000 1.000 CB 1.824 14 residues pruned to eliminate duplicates Z: 22 34.852 2.228 0.750 0.821 0.905 0.714 CB 1.632 22 residues pruned to eliminate duplicates Z: 37 39.023 2.078 0.987 0.688 0.917 0.833 CB 1.446 15 residues pruned to eliminate duplicates Z: 11 25.592 2.176 0.652 0.909 1.000 0.900 CB 1.598 11 residues pruned to eliminate duplicates Z: 44 46.279 2.233 0.915 0.652 0.977 0.721 CB 1.466 44 residues pruned to eliminate duplicates Z: 19 36.655 2.322 0.613 0.850 0.944 0.722 CB 1.810 19 residues pruned to eliminate duplicates Z: 11 16.328 1.928 0.628 0.814 1.000 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 14 13.315 1.972 0.535 0.350 0.923 0.538 CB 1.556 10 residues pruned to eliminate duplicates Z: 14 20.756 1.914 0.545 0.907 1.000 0.769 CB 1.383 Z: 10 22.439 2.215 0.568 0.869 1.000 0.667 CA 1.573 9 residues pruned to eliminate duplicates Z: 46 39.714 2.186 0.758 0.590 0.978 0.644 CB 1.445 46 residues pruned to eliminate duplicates Z: 13 20.980 2.056 0.687 0.825 1.000 0.833 CB 1.318 13 residues pruned to eliminate duplicates Z: 17 45.260 2.328 0.887 0.881 1.000 0.938 CB 1.865 17 residues pruned to eliminate duplicates Z: 45 36.150 2.109 0.943 0.519 0.955 0.818 CB 1.368 34 residues pruned to eliminate duplicates Z: 69 49.762 2.147 0.889 0.668 0.897 0.676 CB 1.420 57 residues pruned to eliminate duplicates Z: 15 43.232 2.228 1.177 0.927 1.000 0.929 CB 1.669 15 residues pruned to eliminate duplicates Z: 24 18.890 1.912 0.555 0.692 0.957 0.783 CB 1.162 23 residues pruned to eliminate duplicates Z: 21 34.484 2.269 0.546 0.824 0.950 0.600 CB 1.747 21 residues pruned to eliminate duplicates Z: 14 52.903 2.415 1.243 0.912 1.000 1.000 CB 1.918 14 residues pruned to eliminate duplicates Z: 18 45.190 2.242 1.179 0.839 0.941 0.882 CB 1.780 18 residues pruned to eliminate duplicates Z: 22 38.461 2.373 1.070 0.610 0.905 0.667 CB 1.702 22 residues pruned to eliminate duplicates Z: 8 21.037 2.261 0.543 0.811 1.000 0.714 CB 1.738 8 residues pruned to eliminate duplicates Z: 10 18.305 2.107 0.339 0.921 1.000 1.000 CB 1.523 10 residues pruned to eliminate duplicates Z: 11 30.801 2.365 0.701 0.882 1.000 0.900 CB 1.753 11 residues pruned to eliminate duplicates Z: 11 26.384 2.142 1.065 0.869 0.900 0.800 CB 1.531 11 residues pruned to eliminate duplicates Z: 21 37.222 2.102 0.818 0.859 0.950 0.650 CA 1.687 21 residues pruned to eliminate duplicates Z: 13 27.143 2.052 0.831 0.900 1.000 0.833 CB 1.490 13 residues pruned to eliminate duplicates Z: 10 18.649 2.042 0.527 0.866 1.000 0.667 CB 1.459 10 residues pruned to eliminate duplicates Z: 9 21.469 2.201 0.558 0.874 1.000 0.625 CB 1.611 9 residues pruned to eliminate duplicates Z: 14 37.973 2.325 0.693 0.932 1.000 1.000 CB 1.869 14 residues pruned to eliminate duplicates Z: 12 40.404 2.347 0.919 0.923 1.000 1.000 CB 1.901 12 residues pruned to eliminate duplicates Z: 16 41.189 2.161 0.999 0.931 1.000 0.933 CA 1.720 16 residues pruned to eliminate duplicates Z: 25 37.039 2.231 0.981 0.508 0.917 0.542 C 1.852 25 residues pruned to eliminate duplicates Z: 13 19.944 2.024 0.677 0.854 1.000 0.833 CB 1.252 13 residues pruned to eliminate duplicates Z: 13 16.726 1.843 0.671 0.880 1.000 0.833 CB 1.136 13 residues pruned to eliminate duplicates Z: 20 42.605 2.177 0.938 0.842 0.947 0.684 CB 1.822 20 residues pruned to eliminate duplicates Z: 14 41.292 2.375 0.799 0.938 1.000 1.000 CB 1.864 14 residues pruned to eliminate duplicates Z: 18 36.126 2.229 0.776 0.842 0.941 0.882 CB 1.752 18 residues pruned to eliminate duplicates Z: 11 17.029 2.031 0.375 0.918 1.000 0.900 CB 1.360 11 residues pruned to eliminate duplicates Z: 57 47.856 2.173 0.871 0.607 0.982 0.714 CB 1.446 57 residues pruned to eliminate duplicates Z: 32 39.184 2.247 1.037 0.519 0.968 0.710 CB 1.559 32 residues pruned to eliminate duplicates Z: 18 35.835 2.176 0.871 0.829 0.941 0.824 CB 1.706 18 residues pruned to eliminate duplicates Z: 95 55.201 2.138 0.758 0.647 0.915 0.670 CB 1.443 71 residues pruned to eliminate duplicates Z: 9 11.308 2.071 0.283 0.841 0.875 0.625 CB 1.283 9 residues pruned to eliminate duplicates Z: 15 39.374 2.257 0.798 0.934 1.000 1.000 CB 1.809 15 residues pruned to eliminate duplicates Z: 17 38.115 2.225 0.816 0.877 1.000 0.875 CB 1.712 17 residues pruned to eliminate duplicates Z: 13 26.788 2.069 0.758 0.906 1.000 0.833 CB 1.512 13 residues pruned to eliminate duplicates Z: 21 35.279 2.149 0.670 0.858 1.000 0.700 CB 1.619 21 residues pruned to eliminate duplicates Z: 10 15.181 1.880 0.448 0.919 1.000 0.778 CB 1.311 Z: 99 68.730 2.208 0.833 0.660 0.939 0.673 CB 1.575 95 residues pruned to eliminate duplicates Z: 18 41.782 2.224 1.021 0.849 0.941 0.882 CA 1.776 18 residues pruned to eliminate duplicates Z: 10 14.743 2.007 0.288 0.832 1.000 0.889 CA 1.428 10 residues pruned to eliminate duplicates Z: 11 11.957 1.961 0.043 0.918 1.000 0.900 CB 1.305 11 residues pruned to eliminate duplicates Z: 86 57.638 2.197 0.782 0.634 0.941 0.624 CB 1.496 85 residues pruned to eliminate duplicates Z: 13 24.751 2.107 0.635 0.892 1.000 1.000 CB 1.490 13 residues pruned to eliminate duplicates Z: 17 24.773 2.100 0.712 0.783 0.812 0.750 CA 1.653 17 residues pruned to eliminate duplicates Z: 30 23.979 2.135 1.018 0.400 0.897 0.552 CB 1.282 30 residues pruned to eliminate duplicates Z: 21 37.875 2.283 0.679 0.835 0.950 0.750 CB 1.742 21 residues pruned to eliminate duplicates Z: 13 44.938 2.427 0.868 0.948 1.000 1.000 C 1.976 13 residues pruned to eliminate duplicates Z: 14 22.805 1.943 0.732 0.865 1.000 0.692 CB 1.377 14 residues pruned to eliminate duplicates Z: 21 42.351 2.255 0.806 0.851 0.950 0.650 CA 1.812 21 residues pruned to eliminate duplicates Z: 12 29.072 2.279 0.725 0.892 1.000 0.818 CB 1.603 12 residues pruned to eliminate duplicates Z: 10 20.423 1.921 0.676 0.882 1.000 0.889 CB 1.530 10 residues pruned to eliminate duplicates Z: 17 43.009 2.262 0.839 0.928 1.000 0.875 C 1.810 17 residues pruned to eliminate duplicates Z: 20 39.878 2.239 0.826 0.889 0.947 0.737 CB 1.700 20 residues pruned to eliminate duplicates Z: 92 57.019 2.189 0.768 0.612 0.934 0.703 CB 1.487 87 residues pruned to eliminate duplicates Z: 19 33.134 2.022 0.735 0.910 1.000 0.889 CB 1.578 19 residues pruned to eliminate duplicates Z: 9 14.282 1.789 0.722 0.779 1.000 0.500 CB 1.282 8 residues pruned to eliminate duplicates Z: 20 29.557 2.104 0.709 0.827 0.947 0.737 CB 1.500 20 residues pruned to eliminate duplicates Z: 14 22.466 2.104 0.414 0.861 0.923 0.846 CB 1.667 14 residues pruned to eliminate duplicates Z: 15 47.394 2.228 1.165 0.903 1.000 0.929 CA 1.873 15 residues pruned to eliminate duplicates Z: 42 46.616 2.231 1.017 0.564 0.927 0.537 CB 1.641 29 residues pruned to eliminate duplicates Z: 64 50.475 2.175 0.862 0.615 0.952 0.587 CB 1.479 64 residues pruned to eliminate duplicates Z: 12 27.621 2.176 0.647 0.908 1.000 0.909 CB 1.650 12 residues pruned to eliminate duplicates Z: 13 24.411 2.080 0.624 0.899 1.000 0.917 CB 1.491 13 residues pruned to eliminate duplicates Z: 27 24.717 2.025 0.813 0.432 0.923 0.654 CB 1.535 29 residues pruned to eliminate duplicates Z: 17 36.567 2.246 0.601 0.926 1.000 0.938 CB 1.784 17 residues pruned to eliminate duplicates Z: 10 20.670 1.901 0.758 0.880 1.000 1.000 CB 1.494 10 residues pruned to eliminate duplicates Z: 13 24.103 2.139 0.615 0.890 1.000 1.000 CB 1.448 13 residues pruned to eliminate duplicates Z: 13 26.029 2.078 0.620 0.916 1.000 0.833 CA 1.576 13 residues pruned to eliminate duplicates Z: 16 48.307 2.368 0.964 0.946 1.000 1.000 CB 1.855 16 residues pruned to eliminate duplicates Z: 13 23.563 2.124 0.530 0.871 1.000 0.917 CB 1.527 13 residues pruned to eliminate duplicates Z: 17 47.935 2.357 1.004 0.909 1.000 0.938 CB 1.800 17 residues pruned to eliminate duplicates Z: 18 32.217 2.184 0.650 0.828 0.941 0.824 CA 1.734 18 residues pruned to eliminate duplicates Z: 17 45.673 2.270 0.961 0.929 1.000 0.938 CA 1.795 17 residues pruned to eliminate duplicates Z: 13 11.119 2.144 0.731 0.439 0.833 0.667 CB 1.106 Z: 23 27.813 2.090 0.873 0.712 0.909 0.773 CB 1.375 23 residues pruned to eliminate duplicates Z: 11 17.514 1.867 0.606 0.920 1.000 0.900 CB 1.301 10 residues pruned to eliminate duplicates Z: 17 57.170 2.218 1.414 0.953 1.000 0.688 CA 1.837 17 residues pruned to eliminate duplicates Z: 10 11.560 1.938 0.478 0.731 0.778 0.667 C 1.406 10 residues pruned to eliminate duplicates Z: 12 14.849 1.809 0.449 0.900 1.000 0.909 CB 1.219 12 residues pruned to eliminate duplicates Z: 12 29.877 2.218 0.793 0.876 1.000 0.818 CB 1.646 15 residues pruned to eliminate duplicates Z: 13 27.331 2.077 0.944 0.889 1.000 0.917 CB 1.406 13 residues pruned to eliminate duplicates Z: 13 29.666 2.058 1.107 0.925 1.000 0.917 CB 1.386 13 residues pruned to eliminate duplicates Z: 6 9.458 1.990 0.898 0.557 1.000 0.600 CB 1.059 Z: 11 26.803 2.238 0.613 0.789 1.000 0.700 CA 1.822 11 residues pruned to eliminate duplicates Z: 9 16.001 2.059 0.327 0.850 1.000 0.375 CB 1.533 9 residues pruned to eliminate duplicates Z: 18 51.329 2.192 1.232 0.902 1.000 0.647 CA 1.814 18 residues pruned to eliminate duplicates Z: 99 66.428 2.163 0.823 0.649 0.929 0.755 CB 1.594 99 residues pruned to eliminate duplicates Z: 15 41.013 2.235 0.953 0.911 1.000 0.857 CB 1.780 15 residues pruned to eliminate duplicates Z: 8 23.502 2.232 0.912 0.900 1.000 1.000 CB 1.487 8 residues pruned to eliminate duplicates Z: 12 15.670 1.853 0.501 0.896 1.000 0.909 CB 1.217 12 residues pruned to eliminate duplicates Z: 39 37.122 2.182 0.814 0.721 0.895 0.789 CB 1.392 39 residues pruned to eliminate duplicates Z: 10 12.119 1.998 0.335 0.836 0.778 0.556 CA 1.458 10 residues pruned to eliminate duplicates Z: 10 24.451 2.170 0.778 0.832 1.000 0.667 C 1.586 10 residues pruned to eliminate duplicates Z: 10 15.666 2.050 0.455 0.866 1.000 0.667 CB 1.281 10 residues pruned to eliminate duplicates Z: 21 38.474 2.211 0.797 0.794 0.950 0.800 CB 1.761 21 residues pruned to eliminate duplicates Z: 24 38.722 2.193 0.808 0.807 0.957 0.652 CB 1.629 24 residues pruned to eliminate duplicates Z: 9 13.845 1.913 0.444 0.836 1.000 0.750 CB 1.327 9 residues pruned to eliminate duplicates Z: 12 24.388 2.218 0.641 0.823 0.909 0.727 CB 1.679 12 residues pruned to eliminate duplicates Z: 11 19.387 1.841 0.924 0.935 1.000 0.900 CB 1.206 11 residues pruned to eliminate duplicates Z: 22 32.787 2.159 0.520 0.863 1.000 0.714 CB 1.599 22 residues pruned to eliminate duplicates Z: 17 35.294 2.206 0.797 0.876 0.938 0.938 CB 1.725 17 residues pruned to eliminate duplicates Z: 13 30.861 2.231 0.730 0.897 1.000 0.833 CB 1.653 13 residues pruned to eliminate duplicates Z: 13 28.612 2.110 0.718 0.925 1.000 1.000 CB 1.599 13 residues pruned to eliminate duplicates Z: 17 31.635 2.250 0.671 0.895 0.875 0.875 CB 1.723 17 residues pruned to eliminate duplicates Z: 64 50.080 2.223 0.727 0.593 0.937 0.571 CB 1.605 64 residues pruned to eliminate duplicates Z: 12 20.723 2.036 1.165 0.475 1.000 0.727 CB 1.454 14 residues pruned to eliminate duplicates Z: 9 12.703 1.962 0.361 0.754 0.875 0.500 CB 1.534 9 residues pruned to eliminate duplicates Z: 21 42.043 2.184 0.906 0.830 1.000 0.700 CB 1.698 21 residues pruned to eliminate duplicates Z: 11 15.671 1.989 0.502 0.879 0.900 0.800 CB 1.337 11 residues pruned to eliminate duplicates Z: 13 21.273 2.010 0.633 0.838 0.917 0.500 CB 1.525 12 residues pruned to eliminate duplicates Z: 12 17.050 1.937 0.655 0.879 1.000 0.818 CB 1.162 12 residues pruned to eliminate duplicates Z: 9 18.657 1.936 0.895 0.857 1.000 0.875 CB 1.325 9 residues pruned to eliminate duplicates Z: 10 17.621 2.127 0.245 0.929 1.000 1.000 CB 1.552 10 residues pruned to eliminate duplicates Z: 14 15.319 1.856 0.361 0.871 1.000 0.769 CB 1.226 14 residues pruned to eliminate duplicates Z: 73 45.034 2.130 0.761 0.599 0.944 0.750 CB 1.363 67 residues pruned to eliminate duplicates Z: 85 47.911 2.194 0.639 0.619 0.917 0.643 CB 1.417 85 residues pruned to eliminate duplicates Z: 10 24.017 2.136 0.633 0.928 1.000 1.000 CB 1.608 10 residues pruned to eliminate duplicates Z: 18 32.074 2.244 0.560 0.865 1.000 0.882 CB 1.628 18 residues pruned to eliminate duplicates Z: 9 20.099 2.104 0.725 0.878 1.000 0.875 CB 1.421 9 residues pruned to eliminate duplicates Z: 14 17.288 1.805 0.464 0.912 1.000 0.923 CB 1.286 14 residues pruned to eliminate duplicates Z: 12 29.294 2.211 0.798 0.890 1.000 1.000 CB 1.598 12 residues pruned to eliminate duplicates Z: 12 17.468 2.032 0.907 0.447 1.000 0.818 CB 1.435 12 residues pruned to eliminate duplicates Z: 24 36.999 2.169 0.765 0.763 0.957 0.565 CB 1.668 24 residues pruned to eliminate duplicates Z: 8 10.693 1.433 0.949 0.803 1.000 0.714 N 1.111 Z: 8 20.594 2.197 0.820 0.876 1.000 0.857 CB 1.415 8 residues pruned to eliminate duplicates Z: 25 48.370 2.244 1.079 0.774 0.958 0.625 CB 1.733 25 residues pruned to eliminate duplicates Z: 25 26.866 2.173 1.000 0.610 0.875 0.625 CB 1.299 25 residues pruned to eliminate duplicates Z: 15 49.315 2.218 1.431 0.920 1.000 0.714 CA 1.721 15 residues pruned to eliminate duplicates Z: 8 13.609 2.059 0.868 0.342 1.000 0.714 CB 1.588 5 residues pruned to eliminate duplicates Z: 14 22.435 2.035 0.708 0.827 1.000 0.846 CB 1.349 14 residues pruned to eliminate duplicates Z: 22 37.408 2.244 1.094 0.634 0.952 0.762 CB 1.609 22 residues pruned to eliminate duplicates Z: 10 12.722 1.986 0.513 0.828 0.889 0.778 CB 1.195 10 residues pruned to eliminate duplicates Z: 84 62.708 2.235 0.796 0.665 0.952 0.639 CB 1.546 84 residues pruned to eliminate duplicates Z: 13 30.032 2.087 0.860 0.916 1.000 0.833 CA 1.578 13 residues pruned to eliminate duplicates Z: 10 17.695 2.095 0.290 0.941 1.000 1.000 CB 1.514 10 residues pruned to eliminate duplicates Z: 14 18.515 1.783 0.636 0.868 1.000 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 12 24.294 2.070 0.699 0.917 1.000 0.909 CB 1.470 12 residues pruned to eliminate duplicates Z: 8 12.108 2.191 0.267 0.855 0.857 0.714 CB 1.419 8 residues pruned to eliminate duplicates Z: 16 51.462 2.358 1.106 0.933 1.000 0.933 CB 1.866 16 residues pruned to eliminate duplicates Z: 84 61.819 2.209 0.825 0.634 0.940 0.627 CB 1.580 84 residues pruned to eliminate duplicates Z: 11 17.485 2.079 0.432 0.919 1.000 1.000 CB 1.309 11 residues pruned to eliminate duplicates Z: 12 18.505 2.136 0.496 0.848 0.909 0.636 CB 1.425 12 residues pruned to eliminate duplicates Z: 49 41.152 2.201 0.756 0.577 0.875 0.667 CB 1.631 52 residues pruned to eliminate duplicates Z: 38 29.438 2.091 0.796 0.503 0.946 0.622 CB 1.358 38 residues pruned to eliminate duplicates Z: 10 13.905 1.959 0.182 0.871 1.000 0.667 CA 1.459 10 residues pruned to eliminate duplicates Z: 10 20.975 2.384 0.224 0.913 1.000 1.000 CB 1.697 10 residues pruned to eliminate duplicates Z: 17 39.379 2.279 0.771 0.912 1.000 0.875 CB 1.727 17 residues pruned to eliminate duplicates Z: 14 18.205 1.805 0.685 0.913 1.000 0.846 CB 1.175 14 residues pruned to eliminate duplicates Z: 10 17.633 2.023 0.514 0.928 1.000 0.667 CB 1.345 11 residues pruned to eliminate duplicates Z: 9 15.593 1.987 0.703 0.775 0.875 0.750 C 1.460 9 residues pruned to eliminate duplicates Z: 13 22.397 2.079 0.695 0.829 1.000 0.917 CB 1.381 13 residues pruned to eliminate duplicates Z: 10 11.449 1.942 0.500 0.774 0.778 0.778 CA 1.323 10 residues pruned to eliminate duplicates Z: 18 43.839 2.245 1.008 0.862 1.000 0.765 CB 1.732 18 residues pruned to eliminate duplicates Z: 73 44.602 2.131 0.752 0.570 0.931 0.694 CB 1.413 73 residues pruned to eliminate duplicates Z: 85 54.942 2.185 0.759 0.604 0.952 0.643 CB 1.483 93 residues pruned to eliminate duplicates Z: 10 16.725 2.024 0.449 0.852 1.000 0.667 CB 1.406 10 residues pruned to eliminate duplicates Z: 9 8.125 1.828 -0.069 0.896 0.875 0.625 CB 1.382 9 residues pruned to eliminate duplicates Z: 15 8.252 1.991 0.753 0.271 0.786 0.571 CB 1.044 12 residues pruned to eliminate duplicates Z: 20 31.065 2.097 0.762 0.851 0.947 0.737 CB 1.507 20 residues pruned to eliminate duplicates Z: 12 22.251 2.086 0.490 0.874 1.000 0.727 CB 1.571 12 residues pruned to eliminate duplicates Z: 13 28.194 2.063 0.895 0.888 1.000 0.833 CB 1.500 14 residues pruned to eliminate duplicates Z: 13 27.174 2.113 0.836 0.862 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 17 16.717 1.924 0.781 0.524 0.875 0.500 CB 1.362 17 residues pruned to eliminate duplicates Z: 19 28.113 2.122 0.516 0.875 1.000 0.722 CB 1.498 19 residues pruned to eliminate duplicates Z: 13 26.576 1.902 0.997 0.934 1.000 0.833 C 1.408 13 residues pruned to eliminate duplicates Z: 20 44.851 2.297 0.967 0.879 0.947 0.526 CA 1.743 20 residues pruned to eliminate duplicates Z: 11 18.818 1.910 0.712 0.928 1.000 0.800 CB 1.274 11 residues pruned to eliminate duplicates Z: 10 20.468 2.052 0.786 0.871 0.889 0.444 CB 1.528 10 residues pruned to eliminate duplicates Z: 8 9.915 2.016 1.038 0.358 1.000 0.429 CB 1.063 8 residues pruned to eliminate duplicates Z: 13 28.166 2.105 0.726 0.907 1.000 0.833 CB 1.591 13 residues pruned to eliminate duplicates Z: 13 27.850 2.085 0.755 0.921 1.000 0.833 CB 1.546 13 residues pruned to eliminate duplicates Z: 14 17.343 1.810 0.460 0.896 1.000 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 10 13.542 1.995 0.623 0.862 0.778 0.556 CB 1.316 10 residues pruned to eliminate duplicates Z: 86 49.606 2.134 0.734 0.595 0.941 0.659 CB 1.411 86 residues pruned to eliminate duplicates Z: 8 15.952 2.125 0.371 0.895 1.000 0.857 CB 1.484 8 residues pruned to eliminate duplicates Z: 12 12.904 2.112 1.185 0.310 0.727 0.364 CB 1.431 12 residues pruned to eliminate duplicates Z: 9 14.275 1.947 0.469 0.861 1.000 0.875 CB 1.296 9 residues pruned to eliminate duplicates Z: 20 40.888 2.222 0.987 0.853 0.895 0.684 CB 1.755 20 residues pruned to eliminate duplicates Z: 12 24.822 2.007 0.974 0.930 1.000 1.000 CB 1.321 12 residues pruned to eliminate duplicates Z: 16 37.929 2.313 1.053 0.696 0.933 0.800 C 1.847 16 residues pruned to eliminate duplicates Z: 18 45.328 2.221 1.058 0.884 1.000 0.824 CB 1.738 18 residues pruned to eliminate duplicates Z: 11 12.635 1.924 0.213 0.822 0.900 0.800 CA 1.439 11 residues pruned to eliminate duplicates Z: 14 25.858 1.842 0.988 0.901 1.000 0.923 CB 1.399 14 residues pruned to eliminate duplicates Z: 12 17.520 1.991 0.667 0.595 0.909 0.455 CB 1.599 12 residues pruned to eliminate duplicates Z: 14 16.288 1.867 0.434 0.914 1.000 1.000 CB 1.194 14 residues pruned to eliminate duplicates Z: 6 3.396 1.604 0.520 0.291 0.800 0.600 CB 0.984 6 residues pruned to eliminate duplicates Z: 13 23.761 2.051 0.738 0.868 1.000 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 10 28.995 2.089 0.998 0.933 1.000 1.000 CB 1.615 10 residues pruned to eliminate duplicates Z: 14 11.751 1.696 0.701 0.699 0.846 0.615 CB 1.113 14 residues pruned to eliminate duplicates Z: 10 15.348 2.028 0.710 0.448 1.000 0.778 CB 1.557 10 residues pruned to eliminate duplicates Z: 9 15.316 2.038 0.673 0.854 1.000 0.875 CB 1.173 9 residues pruned to eliminate duplicates Z: 12 27.941 2.200 0.911 0.867 1.000 0.818 CB 1.465 12 residues pruned to eliminate duplicates Z: 59 41.483 2.137 0.839 0.578 0.948 0.690 CB 1.356 59 residues pruned to eliminate duplicates Z: 14 24.945 1.918 0.858 0.881 1.000 0.846 CB 1.406 13 residues pruned to eliminate duplicates Z: 26 37.040 2.215 1.172 0.558 0.920 0.600 CB 1.582 26 residues pruned to eliminate duplicates Z: 9 9.134 2.024 0.094 0.814 0.875 0.500 CA 1.268 9 residues pruned to eliminate duplicates Z: 9 17.698 2.161 0.607 0.797 0.875 0.625 CB 1.588 9 residues pruned to eliminate duplicates Z: 10 23.652 2.109 0.773 0.827 1.000 0.222 CB 1.590 10 residues pruned to eliminate duplicates Z: 16 19.206 2.075 0.616 0.550 0.933 0.533 CB 1.509 16 residues pruned to eliminate duplicates Z: 12 31.205 2.229 0.832 0.865 1.000 0.727 CB 1.688 12 residues pruned to eliminate duplicates Z: 17 49.592 2.204 1.212 0.922 1.000 0.812 CA 1.789 17 residues pruned to eliminate duplicates Z: 13 10.022 2.126 0.556 0.338 0.917 0.500 CB 1.139 15 residues pruned to eliminate duplicates Z: 11 25.248 1.989 0.966 0.936 1.000 0.800 CB 1.422 11 residues pruned to eliminate duplicates Z: 8 16.349 2.037 0.576 0.854 1.000 0.571 CB 1.422 8 residues pruned to eliminate duplicates Z: 10 26.432 2.117 0.825 0.924 1.000 0.778 CB 1.602 10 residues pruned to eliminate duplicates Z: 49 39.382 2.135 1.009 0.540 0.854 0.604 CB 1.492 49 residues pruned to eliminate duplicates Z: 10 25.330 2.138 0.676 0.903 1.000 0.778 CA 1.680 10 residues pruned to eliminate duplicates Z: 12 29.775 2.332 0.873 0.901 0.909 0.727 CB 1.614 12 residues pruned to eliminate duplicates Z: 14 9.303 2.013 0.615 0.353 0.846 0.538 CB 1.100 14 residues pruned to eliminate duplicates Z: 6 7.020 1.665 0.406 0.774 1.000 0.600 CB 1.052 6 residues pruned to eliminate duplicates Z: 11 20.043 1.895 0.879 0.931 1.000 1.000 CB 1.244 11 residues pruned to eliminate duplicates Z: 14 17.351 1.923 0.672 0.874 0.923 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 10 21.124 1.860 0.866 0.830 1.000 0.778 CB 1.526 10 residues pruned to eliminate duplicates Z: 14 19.012 1.853 0.738 0.891 1.000 0.846 CB 1.177 14 residues pruned to eliminate duplicates Z: 12 6.684 1.730 0.420 0.320 0.909 0.364 CB 1.101 12 residues pruned to eliminate duplicates Z: 10 14.893 1.861 0.798 0.897 1.000 0.778 CB 1.062 10 residues pruned to eliminate duplicates Z: 10 31.697 2.218 0.994 0.913 1.000 0.889 CA 1.691 10 residues pruned to eliminate duplicates Z: 11 13.279 1.959 0.243 0.919 1.000 1.000 CB 1.216 11 residues pruned to eliminate duplicates Z: 23 24.246 1.983 0.855 0.698 0.909 0.591 CB 1.290 23 residues pruned to eliminate duplicates Z: 12 30.575 1.970 1.132 0.925 1.000 0.818 CB 1.540 12 residues pruned to eliminate duplicates Z: 66 52.744 2.218 0.729 0.681 0.923 0.738 CB 1.565 66 residues pruned to eliminate duplicates Z: 10 24.911 2.149 0.667 0.936 1.000 1.000 CB 1.614 10 residues pruned to eliminate duplicates Z: 12 14.309 1.877 0.221 0.897 1.000 1.000 CB 1.348 12 residues pruned to eliminate duplicates Z: 70 45.188 2.140 0.780 0.629 0.913 0.681 CB 1.386 70 residues pruned to eliminate duplicates Z: 13 18.171 1.939 0.740 0.899 1.000 1.000 CB 1.112 13 residues pruned to eliminate duplicates Z: 12 25.678 2.123 0.821 0.895 1.000 0.909 CB 1.436 12 residues pruned to eliminate duplicates Z: 6 4.901 1.778 0.562 0.424 0.800 0.400 CB 1.068 5 residues pruned to eliminate duplicates Z: 15 33.256 2.136 0.923 0.888 1.000 0.714 CB 1.559 15 residues pruned to eliminate duplicates Z: 24 29.835 2.123 0.967 0.696 0.913 0.783 CB 1.364 24 residues pruned to eliminate duplicates Z: 10 19.972 1.914 0.657 0.872 1.000 1.000 CB 1.530 10 residues pruned to eliminate duplicates Z: 35 41.349 2.167 0.906 0.649 0.912 0.676 CB 1.638 35 residues pruned to eliminate duplicates Z: 10 27.203 2.124 0.865 0.920 1.000 1.000 CB 1.612 10 residues pruned to eliminate duplicates Z: 14 17.340 1.775 0.533 0.919 1.000 1.000 CB 1.245 14 residues pruned to eliminate duplicates Z: 9 19.634 2.029 0.819 0.907 1.000 0.875 CB 1.337 9 residues pruned to eliminate duplicates Z: 10 14.563 2.063 0.161 0.925 1.000 1.000 CB 1.422 10 residues pruned to eliminate duplicates Z: 12 15.210 1.952 0.747 0.752 0.727 0.545 CA 1.477 12 residues pruned to eliminate duplicates Z: 13 10.762 1.878 0.967 0.343 0.917 0.583 CB 1.088 12 residues pruned to eliminate duplicates Z: 36 35.306 2.222 0.572 0.624 0.943 0.600 CB 1.612 36 residues pruned to eliminate duplicates Z: 9 19.066 2.114 0.598 0.851 1.000 0.875 CB 1.477 9 residues pruned to eliminate duplicates Z: 12 27.920 2.184 0.974 0.903 1.000 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 9 8.859 1.929 0.630 0.424 0.750 0.750 C 1.437 9 residues pruned to eliminate duplicates Z: 97 65.864 2.211 0.812 0.678 0.927 0.677 CB 1.536 97 residues pruned to eliminate duplicates Z: 42 35.920 2.146 0.824 0.604 0.902 0.659 CB 1.438 42 residues pruned to eliminate duplicates Z: 11 7.199 1.976 0.560 0.233 0.700 0.300 CA 1.439 6 residues pruned to eliminate duplicates Z: 10 25.336 2.096 0.913 0.895 1.000 0.778 CA 1.510 10 residues pruned to eliminate duplicates Z: 14 38.091 2.321 0.716 0.923 1.000 1.000 CA 1.865 14 residues pruned to eliminate duplicates Z: 82 48.702 2.052 0.764 0.642 0.951 0.667 CB 1.377 82 residues pruned to eliminate duplicates Z: 34 25.254 2.072 0.711 0.538 0.879 0.697 CB 1.360 34 residues pruned to eliminate duplicates Z: 85 59.206 2.223 0.757 0.624 0.940 0.655 CB 1.565 85 residues pruned to eliminate duplicates Z: 13 19.019 1.911 0.469 0.892 1.000 1.000 CB 1.405 13 residues pruned to eliminate duplicates Z: 12 13.834 1.928 0.220 0.823 1.000 0.727 CB 1.341 12 residues pruned to eliminate duplicates Z: 21 42.370 2.277 0.960 0.872 0.900 0.650 CB 1.719 21 residues pruned to eliminate duplicates Z: 13 18.087 1.872 0.699 0.823 1.000 0.750 CB 1.241 13 residues pruned to eliminate duplicates Z: 13 29.176 2.099 0.803 0.932 1.000 0.917 CB 1.554 13 residues pruned to eliminate duplicates Z: 13 13.791 1.863 0.133 0.933 1.000 0.917 CB 1.317 13 residues pruned to eliminate duplicates Z: 13 23.060 2.020 0.889 0.851 1.000 0.833 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 15.711 1.927 0.518 0.910 1.000 0.909 CB 1.148 12 residues pruned to eliminate duplicates Z: 9 14.007 1.960 0.589 0.875 1.000 0.750 CB 1.156 9 residues pruned to eliminate duplicates Z: 11 15.141 1.872 0.497 0.818 0.900 0.700 CB 1.441 11 residues pruned to eliminate duplicates Z: 20 38.071 2.302 0.540 0.871 1.000 0.842 CB 1.797 20 residues pruned to eliminate duplicates Z: 11 16.780 2.060 0.543 0.838 0.900 0.500 CA 1.386 11 residues pruned to eliminate duplicates Z: 15 16.840 1.705 0.474 0.914 1.000 1.000 CB 1.266 15 residues pruned to eliminate duplicates Z: 17 38.133 2.314 0.785 0.873 1.000 0.750 CB 1.681 17 residues pruned to eliminate duplicates Z: 65 47.275 2.202 0.618 0.618 0.922 0.609 CB 1.609 65 residues pruned to eliminate duplicates Z: 19 22.104 2.096 0.958 0.541 0.889 0.667 CB 1.372 19 residues pruned to eliminate duplicates Z: 15 47.332 2.182 1.394 0.919 1.000 0.786 C 1.707 15 residues pruned to eliminate duplicates Z: 116 67.245 2.196 0.796 0.622 0.957 0.652 CB 1.482 115 residues pruned to eliminate duplicates Z: 14 20.818 1.893 0.664 0.893 1.000 0.923 CB 1.316 14 residues pruned to eliminate duplicates Z: 6 2.538 1.584 0.301 0.504 0.800 0.600 CB 0.686 6 residues pruned to eliminate duplicates Z: 10 13.091 2.190 0.586 0.424 0.889 0.667 CB 1.530 10 residues pruned to eliminate duplicates Z: 13 22.091 2.010 0.565 0.926 1.000 1.000 CB 1.422 13 residues pruned to eliminate duplicates Z: 8 25.556 2.323 0.746 0.875 1.000 0.857 C 1.732 8 residues pruned to eliminate duplicates Z: 14 17.212 1.795 0.612 0.760 1.000 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 38 28.984 2.144 0.713 0.534 0.919 0.784 CB 1.366 38 residues pruned to eliminate duplicates Z: 45 42.582 2.160 0.962 0.619 0.955 0.659 CB 1.417 44 residues pruned to eliminate duplicates Z: 13 13.234 1.972 0.172 0.934 1.000 0.917 CB 1.153 13 residues pruned to eliminate duplicates Z: 10 23.527 2.033 0.907 0.911 1.000 0.778 CB 1.433 10 residues pruned to eliminate duplicates Z: 60 41.855 2.135 0.739 0.569 0.949 0.627 CB 1.446 60 residues pruned to eliminate duplicates Z: 13 30.837 2.293 0.896 0.771 0.917 0.833 C 1.757 13 residues pruned to eliminate duplicates Z: 11 15.008 1.924 0.271 0.922 1.000 1.000 CB 1.365 11 residues pruned to eliminate duplicates Z: 11 29.029 2.205 0.839 0.935 1.000 0.900 CB 1.578 11 residues pruned to eliminate duplicates Z: 46 45.551 2.196 0.952 0.631 1.000 0.756 CB 1.401 46 residues pruned to eliminate duplicates Z: 18 36.672 2.261 0.750 0.882 1.000 0.588 CB 1.626 18 residues pruned to eliminate duplicates Z: 9 13.846 1.833 0.637 0.868 1.000 0.750 CB 1.192 9 residues pruned to eliminate duplicates Z: 10 19.889 1.989 0.964 0.919 1.000 0.556 CB 1.196 10 residues pruned to eliminate duplicates Z: 11 18.139 2.031 0.653 0.933 1.000 0.900 CB 1.192 11 residues pruned to eliminate duplicates 6 0.643 1.799 -0.001 0.257 0.400 0.400 CB 0.528 ? Z: 14 7.796 2.025 0.393 0.350 0.923 0.385 CB 0.976 14 residues pruned to eliminate duplicates Z: 9 15.426 2.095 0.542 0.792 0.875 0.750 CB 1.494 9 residues pruned to eliminate duplicates Z: 27 26.997 2.028 0.865 0.611 0.962 0.692 CB 1.310 27 residues pruned to eliminate duplicates Z: 37 35.681 2.110 0.858 0.723 0.944 0.806 CB 1.313 37 residues pruned to eliminate duplicates Z: 85 52.961 2.195 0.656 0.658 0.917 0.714 CB 1.499 85 residues pruned to eliminate duplicates Z: 15 16.993 2.027 0.869 0.551 0.857 0.786 CB 1.331 15 residues pruned to eliminate duplicates Z: 14 22.345 1.873 0.946 0.910 1.000 0.923 CB 1.206 14 residues pruned to eliminate duplicates Z: 16 7.099 1.889 0.509 0.293 0.800 0.467 CB 1.013 16 residues pruned to eliminate duplicates Z: 29 20.312 1.982 0.515 0.589 0.929 0.786 CB 1.265 29 residues pruned to eliminate duplicates Z: 11 24.821 2.145 0.705 0.892 1.000 1.000 CB 1.541 11 residues pruned to eliminate duplicates Z: 39 43.388 2.290 0.908 0.618 0.895 0.553 CB 1.610 39 residues pruned to eliminate duplicates Z: 19 12.108 1.859 0.434 0.334 0.833 0.500 CA 1.541 19 residues pruned to eliminate duplicates Z: 14 38.559 2.334 0.771 0.927 1.000 0.923 CB 1.813 14 residues pruned to eliminate duplicates Z: 15 26.762 2.085 1.059 0.646 0.929 0.857 C 1.565 15 residues pruned to eliminate duplicates Z: 13 14.809 1.937 0.774 0.623 0.833 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 42 43.907 2.239 0.866 0.618 0.976 0.756 CB 1.504 42 residues pruned to eliminate duplicates Z: 22 36.341 2.103 0.972 0.831 0.905 0.714 CB 1.588 22 residues pruned to eliminate duplicates Z: 11 16.722 1.871 0.624 0.923 1.000 0.900 CB 1.223 11 residues pruned to eliminate duplicates Z: 65 55.367 2.248 0.781 0.642 0.938 0.578 CB 1.615 65 residues pruned to eliminate duplicates Z: 42 25.977 2.092 0.508 0.564 0.878 0.610 CB 1.377 42 residues pruned to eliminate duplicates Z: 9 21.378 2.076 0.777 0.919 1.000 1.000 CB 1.445 10 residues pruned to eliminate duplicates Z: 9 8.812 1.862 1.083 0.444 0.625 0.250 CB 1.361 7 residues pruned to eliminate duplicates Z: 13 25.797 2.069 0.800 0.890 1.000 0.667 CB 1.438 13 residues pruned to eliminate duplicates Z: 34 36.748 2.153 0.900 0.630 0.909 0.606 CB 1.523 34 residues pruned to eliminate duplicates Z: 11 9.514 1.900 0.701 0.337 0.800 0.500 C 1.390 11 residues pruned to eliminate duplicates Z: 7 17.796 2.296 0.502 0.827 1.000 0.833 CB 1.587 7 residues pruned to eliminate duplicates Z: 43 34.094 2.178 0.588 0.603 0.976 0.714 CB 1.412 43 residues pruned to eliminate duplicates Z: 12 25.119 2.107 0.862 0.897 1.000 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 72 47.162 2.125 0.777 0.676 0.915 0.746 CB 1.377 72 residues pruned to eliminate duplicates Z: 36 39.368 2.148 0.937 0.623 0.886 0.571 CB 1.608 36 residues pruned to eliminate duplicates Z: 9 16.480 2.139 0.253 0.870 1.000 0.875 CB 1.587 9 residues pruned to eliminate duplicates Z: 14 12.163 1.864 0.312 0.476 0.923 0.692 CA 1.532 14 residues pruned to eliminate duplicates Z: 14 6.447 2.018 0.267 0.367 0.846 0.538 CB 0.953 15 residues pruned to eliminate duplicates Z: 10 12.687 1.853 0.314 0.884 1.000 0.889 CB 1.255 10 residues pruned to eliminate duplicates Z: 12 10.185 1.881 0.306 0.366 0.909 0.636 C 1.587 12 residues pruned to eliminate duplicates Z: 13 28.414 2.053 0.837 0.928 1.000 0.917 CB 1.523 13 residues pruned to eliminate duplicates Z: 47 39.037 2.159 0.822 0.607 0.870 0.652 CB 1.520 47 residues pruned to eliminate duplicates Z: 75 42.425 2.090 0.679 0.584 0.959 0.784 CB 1.351 75 residues pruned to eliminate duplicates Z: 14 23.679 2.149 0.634 0.846 0.846 0.846 CB 1.642 14 residues pruned to eliminate duplicates Z: 9 4.429 1.513 0.143 0.420 0.875 0.500 CB 1.125 Z: 17 47.051 2.266 1.088 0.892 1.000 0.750 CA 1.786 17 residues pruned to eliminate duplicates Z: 22 24.005 2.221 0.908 0.512 0.857 0.714 CB 1.425 22 residues pruned to eliminate duplicates Z: 9 25.102 2.223 1.056 0.664 1.000 0.750 C 1.668 9 residues pruned to eliminate duplicates Z: 6 4.976 1.660 0.842 0.470 0.600 0.400 CB 1.251 6 residues pruned to eliminate duplicates Z: 19 41.295 2.289 0.814 0.851 0.944 0.778 CA 1.838 19 residues pruned to eliminate duplicates Z: 13 23.167 2.180 0.349 0.924 0.917 0.917 CB 1.741 13 residues pruned to eliminate duplicates Z: 13 25.778 2.049 0.882 0.920 0.917 0.917 CB 1.482 13 residues pruned to eliminate duplicates Z: 13 14.753 1.934 0.406 0.922 1.000 0.917 CB 1.101 13 residues pruned to eliminate duplicates Z: 10 18.349 2.026 0.514 0.877 1.000 0.778 CB 1.449 10 residues pruned to eliminate duplicates Z: 10 21.347 1.990 0.776 0.922 1.000 0.889 CB 1.417 10 residues pruned to eliminate duplicates Z: 15 14.741 2.043 0.851 0.481 0.857 0.571 CB 1.239 15 residues pruned to eliminate duplicates Z: 42 40.895 2.146 0.854 0.613 0.976 0.659 CB 1.478 42 residues pruned to eliminate duplicates Z: 6 12.572 1.817 0.948 0.759 1.000 0.800 C 1.262 5 residues pruned to eliminate duplicates Z: 8 4.881 1.801 0.389 0.202 0.857 0.571 C 1.225 8 residues pruned to eliminate duplicates Z: 62 41.806 2.160 0.711 0.620 0.902 0.672 CB 1.434 62 residues pruned to eliminate duplicates Z: 79 47.253 2.062 0.760 0.661 0.936 0.718 CB 1.356 79 residues pruned to eliminate duplicates Z: 9 16.645 1.875 0.820 0.918 1.000 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 9 11.731 1.964 0.652 0.625 0.750 0.500 CA 1.515 9 residues pruned to eliminate duplicates Z: 6 4.191 2.057 0.116 0.349 0.800 0.600 CB 1.202 6 residues pruned to eliminate duplicates Z: 16 34.737 2.159 0.636 0.930 1.000 1.000 CB 1.776 16 residues pruned to eliminate duplicates Z: 13 21.329 2.067 0.579 0.882 1.000 0.833 CB 1.366 13 residues pruned to eliminate duplicates Z: 8 17.652 2.240 1.004 0.607 1.000 0.714 C 1.343 8 residues pruned to eliminate duplicates Z: 11 10.953 1.840 0.820 0.368 0.900 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 6 2.475 1.505 -0.138 0.499 0.800 0.600 C 1.067 6 residues pruned to eliminate duplicates Z: 18 40.354 2.211 1.384 0.756 0.882 0.588 CB 1.676 18 residues pruned to eliminate duplicates Z: 59 39.532 2.151 0.685 0.587 0.966 0.741 CB 1.365 59 residues pruned to eliminate duplicates Z: 12 17.417 1.905 0.738 0.663 0.909 0.727 CB 1.500 12 residues pruned to eliminate duplicates Z: 41 40.857 2.037 1.003 0.644 0.950 0.650 CB 1.457 36 residues pruned to eliminate duplicates Z: 15 50.643 2.256 1.347 0.938 1.000 1.000 CA 1.777 15 residues pruned to eliminate duplicates Z: 22 18.438 1.987 0.702 0.520 0.905 0.619 CB 1.289 22 residues pruned to eliminate duplicates Z: 17 40.936 2.183 0.967 0.936 1.000 0.938 C 1.660 17 residues pruned to eliminate duplicates Z: 34 21.568 2.047 0.578 0.560 0.848 0.697 CB 1.292 34 residues pruned to eliminate duplicates Z: 19 29.949 2.327 0.871 0.603 0.944 0.722 CB 1.557 19 residues pruned to eliminate duplicates Z: 12 30.648 2.307 0.713 0.882 0.909 0.909 CA 1.862 12 residues pruned to eliminate duplicates Z: 8 14.454 1.992 0.617 0.858 1.000 0.571 CB 1.249 8 residues pruned to eliminate duplicates Z: 15 21.900 2.065 0.582 0.776 0.929 0.929 CB 1.511 15 residues pruned to eliminate duplicates Z: 24 33.178 2.118 0.852 0.780 0.913 0.478 CB 1.509 24 residues pruned to eliminate duplicates Z: 27 40.738 2.117 1.085 0.696 0.923 0.654 CB 1.639 27 residues pruned to eliminate duplicates Z: 19 37.307 2.210 0.902 0.858 0.944 0.722 CB 1.631 19 residues pruned to eliminate duplicates Z: 14 18.798 1.959 0.793 0.873 0.923 0.923 CB 1.171 14 residues pruned to eliminate duplicates Z: 8 13.510 1.948 0.642 0.894 0.857 0.714 CB 1.336 8 residues pruned to eliminate duplicates Z: 17 21.394 2.069 0.739 0.646 1.000 0.750 CB 1.298 17 residues pruned to eliminate duplicates Z: 11 32.467 2.134 1.015 0.917 1.000 0.900 CB 1.686 11 residues pruned to eliminate duplicates Z: 16 20.849 2.084 0.734 0.710 0.867 0.667 CB 1.421 16 residues pruned to eliminate duplicates Z: 9 21.468 1.889 0.968 0.903 1.000 0.625 CB 1.455 9 residues pruned to eliminate duplicates Z: 11 23.835 2.091 0.954 0.753 1.000 0.800 CB 1.472 11 residues pruned to eliminate duplicates Z: 92 67.440 2.147 0.958 0.653 0.956 0.582 CB 1.525 93 residues pruned to eliminate duplicates Z: 12 38.260 2.257 1.148 0.938 1.000 0.818 CB 1.654 12 residues pruned to eliminate duplicates Z: 75 43.664 2.037 0.776 0.629 0.932 0.662 CB 1.333 75 residues pruned to eliminate duplicates Z: 6 3.325 1.851 0.040 0.283 0.800 0.600 C 1.233 6 residues pruned to eliminate duplicates Z: 19 15.195 1.883 0.378 0.627 0.889 0.667 CB 1.377 16 residues pruned to eliminate duplicates Z: 10 18.033 2.055 0.787 0.616 1.000 0.889 CA 1.467 10 residues pruned to eliminate duplicates Z: 14 16.375 2.067 0.566 0.504 1.000 0.769 CB 1.398 14 residues pruned to eliminate duplicates Z: 45 35.373 2.164 0.729 0.601 0.955 0.727 CB 1.357 45 residues pruned to eliminate duplicates Z: 10 46.729 2.472 1.388 0.895 1.000 0.889 CB 1.892 10 residues pruned to eliminate duplicates 6 1.734 1.460 1.131 0.330 0.800 0.800 CB 0.375 ? Z: 21 39.471 2.325 0.587 0.862 1.000 0.750 CB 1.756 21 residues pruned to eliminate duplicates Z: 10 8.173 1.933 0.378 0.327 0.889 0.333 CB 1.391 10 residues pruned to eliminate duplicates Z: 12 7.808 2.083 0.818 0.336 0.909 0.636 CB 0.818 12 residues pruned to eliminate duplicates Z: 9 11.103 2.075 0.752 0.300 0.875 0.750 CB 1.544 9 residues pruned to eliminate duplicates Z: 48 47.714 2.240 0.795 0.648 0.936 0.702 CB 1.611 48 residues pruned to eliminate duplicates Z: 8 4.990 1.797 0.119 0.583 1.000 0.429 CB 0.867 8 residues pruned to eliminate duplicates Z: 36 47.985 2.218 0.970 0.684 0.943 0.629 CB 1.663 36 residues pruned to eliminate duplicates Z: 24 30.772 2.057 0.931 0.672 1.000 0.652 CB 1.378 24 residues pruned to eliminate duplicates Z: 13 10.145 1.965 0.464 0.403 1.000 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 10 8.461 1.661 0.283 0.692 0.889 0.556 CA 1.249 10 residues pruned to eliminate duplicates Z: 13 31.331 2.294 0.737 0.880 1.000 0.917 CB 1.644 13 residues pruned to eliminate duplicates Z: 23 31.339 2.064 0.818 0.725 1.000 0.818 CB 1.454 23 residues pruned to eliminate duplicates Z: 12 24.598 2.040 0.690 0.923 1.000 0.909 CA 1.511 15 residues pruned to eliminate duplicates Z: 19 45.004 2.332 0.894 0.901 0.944 0.778 CB 1.816 19 residues pruned to eliminate duplicates Z: 19 38.723 2.265 1.240 0.666 0.944 0.611 C 1.633 19 residues pruned to eliminate duplicates Z: 31 29.289 2.164 0.724 0.567 1.000 0.733 CB 1.343 31 residues pruned to eliminate duplicates Z: 11 23.028 2.168 0.700 0.673 1.000 0.800 CB 1.684 11 residues pruned to eliminate duplicates Z: 9 25.172 2.296 1.309 0.660 0.875 0.875 CB 1.654 9 residues pruned to eliminate duplicates Z: 41 44.099 2.212 0.783 0.616 0.950 0.700 CB 1.667 41 residues pruned to eliminate duplicates Z: 35 33.563 2.195 0.717 0.583 0.941 0.853 CB 1.498 35 residues pruned to eliminate duplicates Z: 47 43.728 2.224 0.680 0.617 0.957 0.674 CB 1.616 47 residues pruned to eliminate duplicates Z: 35 27.104 2.041 0.582 0.546 0.941 0.706 CB 1.462 35 residues pruned to eliminate duplicates Z: 14 31.467 2.189 0.822 0.865 1.000 0.923 CB 1.604 14 residues pruned to eliminate duplicates Z: 38 31.938 2.100 0.989 0.560 0.838 0.541 CB 1.415 38 residues pruned to eliminate duplicates Z: 7 7.290 1.851 0.386 0.601 0.833 0.500 CB 1.265 7 residues pruned to eliminate duplicates Z: 20 8.852 1.659 0.208 0.510 0.895 0.579 CB 1.122 20 residues pruned to eliminate duplicates Z: 104 61.353 2.151 0.758 0.615 0.942 0.680 CB 1.523 104 residues pruned to eliminate duplicates Z: 36 26.417 2.080 0.509 0.600 0.943 0.571 CB 1.372 36 residues pruned to eliminate duplicates Z: 20 38.769 2.151 0.852 0.864 0.947 0.579 CB 1.728 20 residues pruned to eliminate duplicates Z: 8 7.554 1.696 0.641 0.538 0.857 0.571 CB 1.153 8 residues pruned to eliminate duplicates Z: 23 32.250 2.202 0.783 0.629 1.000 0.727 CB 1.551 23 residues pruned to eliminate duplicates Z: 31 34.485 2.107 0.993 0.541 1.000 0.633 CB 1.439 28 residues pruned to eliminate duplicates Z: 8 7.645 1.707 0.586 0.331 1.000 1.000 CB 1.284 8 residues pruned to eliminate duplicates Z: 10 29.831 2.197 1.073 0.884 1.000 0.556 CB 1.578 10 residues pruned to eliminate duplicates Z: 96 61.388 2.163 0.789 0.644 0.926 0.600 CB 1.536 96 residues pruned to eliminate duplicates Z: 10 12.597 1.903 0.074 0.906 1.000 0.889 CA 1.461 10 residues pruned to eliminate duplicates Z: 15 14.409 2.144 1.034 0.317 0.929 0.571 CB 1.164 15 residues pruned to eliminate duplicates Z: 11 49.640 2.517 1.152 0.932 1.000 0.800 CB 2.024 11 residues pruned to eliminate duplicates Z: 13 14.361 2.143 0.636 0.489 0.833 0.667 CB 1.435 13 residues pruned to eliminate duplicates 463 residues left after pruning, divided into chains as follows: A: 10 B: 116 C: 74 D: 117 E: 146 CC for partial structure against native data = 40.72 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.378, Connect. = 0.756 for dens.mod. cycle 1 = 0.300, Contrast = 0.428, Connect. = 0.776 for dens.mod. cycle 2 = 0.300, Contrast = 0.510, Connect. = 0.803 for dens.mod. cycle 3 = 0.300, Contrast = 0.515, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.524, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.808 for dens.mod. cycle 6 = 0.300, Contrast = 0.535, Connect. = 0.809 for dens.mod. cycle 7 = 0.300, Contrast = 0.539, Connect. = 0.810 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3325 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 684 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 64 56.823 2.367 0.742 0.568 0.968 0.698 CB 1.678 B: 15 27.307 2.155 0.694 0.794 1.000 0.643 CB 1.544 15 residues pruned to eliminate duplicates C: 73 60.468 2.364 0.745 0.592 0.931 0.681 CB 1.700 64 residues pruned to eliminate duplicates D: 14 33.374 2.309 0.734 0.852 1.000 0.923 CB 1.710 14 residues pruned to eliminate duplicates E: 14 31.027 2.267 0.639 0.847 1.000 0.769 CB 1.719 14 residues pruned to eliminate duplicates F: 15 38.903 2.347 0.595 0.934 1.000 1.000 CB 1.937 G: 32 37.174 2.341 0.677 0.609 0.968 0.774 CB 1.585 33 residues pruned to eliminate duplicates H: 14 35.999 2.255 0.982 0.844 1.000 0.846 CB 1.662 14 residues pruned to eliminate duplicates I: 13 35.218 2.448 0.735 0.870 0.917 0.667 CB 1.907 13 residues pruned to eliminate duplicates J: 16 34.520 2.202 0.568 0.886 1.000 0.867 CA 1.861 16 residues pruned to eliminate duplicates K: 14 39.792 2.438 0.582 0.924 1.000 0.923 CA 2.010 L: 13 33.806 2.394 0.558 0.921 1.000 0.917 CB 1.841 13 residues pruned to eliminate duplicates M: 14 43.485 2.459 0.687 0.925 1.000 1.000 CB 2.040 15 residues pruned to eliminate duplicates N: 17 48.875 2.432 0.824 0.921 1.000 0.938 C 1.938 O: 20 40.072 2.343 0.546 0.871 1.000 0.842 CA 1.851 P: 13 29.998 2.293 0.526 0.920 1.000 0.917 CA 1.743 Q: 17 45.340 2.485 0.733 0.886 1.000 0.875 CB 1.899 17 residues pruned to eliminate duplicates R: 13 34.537 2.281 0.804 0.905 1.000 0.917 CB 1.725 13 residues pruned to eliminate duplicates S: 19 38.683 2.248 0.702 0.878 1.000 0.944 CA 1.730 T: 12 29.194 2.264 0.446 0.899 1.000 0.909 CA 1.923 U: 15 31.393 2.328 0.305 0.914 1.000 1.000 CA 1.952 15 residues pruned to eliminate duplicates V: 17 48.434 2.422 0.911 0.913 1.000 0.938 C 1.852 17 residues pruned to eliminate duplicates W: 17 39.296 2.316 0.718 0.877 0.938 0.875 CB 1.913 19 residues pruned to eliminate duplicates X: 13 29.337 2.090 0.821 0.919 0.917 0.833 CA 1.711 13 residues pruned to eliminate duplicates Y: 14 34.357 2.305 0.710 0.873 1.000 0.846 CB 1.760 14 residues pruned to eliminate duplicates Z: 14 29.870 2.272 0.540 0.896 1.000 0.846 CB 1.695 14 residues pruned to eliminate duplicates Z: 15 47.171 2.317 1.066 0.928 0.929 0.857 CA 1.985 14 residues pruned to eliminate duplicates Z: 10 23.146 2.006 0.631 0.878 1.000 0.889 CB 1.711 10 residues pruned to eliminate duplicates Z: 17 45.609 2.398 0.991 0.914 0.938 0.938 C 1.802 17 residues pruned to eliminate duplicates Z: 12 29.538 2.294 0.615 0.879 0.909 0.909 CA 1.918 12 residues pruned to eliminate duplicates Z: 15 36.232 2.308 0.539 0.939 1.000 1.000 CB 1.894 14 residues pruned to eliminate duplicates Z: 18 41.677 2.409 0.787 0.867 1.000 0.824 CB 1.717 18 residues pruned to eliminate duplicates Z: 15 40.876 2.270 0.822 0.879 1.000 0.929 CA 1.915 15 residues pruned to eliminate duplicates Z: 18 41.685 2.298 0.911 0.895 0.941 0.941 C 1.754 18 residues pruned to eliminate duplicates Z: 15 38.436 2.340 0.550 0.906 1.000 0.929 C 2.013 15 residues pruned to eliminate duplicates Z: 22 32.167 2.137 0.422 0.884 1.000 0.857 CA 1.669 22 residues pruned to eliminate duplicates Z: 15 42.173 2.335 0.781 0.890 1.000 1.000 C 1.949 15 residues pruned to eliminate duplicates Z: 16 43.467 2.199 1.035 0.902 1.000 0.800 C 1.789 16 residues pruned to eliminate duplicates Z: 18 40.081 2.313 0.606 0.885 1.000 0.882 CA 1.888 18 residues pruned to eliminate duplicates Z: 16 38.826 2.204 0.814 0.874 1.000 0.733 C 1.825 16 residues pruned to eliminate duplicates Z: 11 20.010 2.132 0.372 0.882 1.000 0.900 CA 1.566 Z: 18 34.568 2.311 0.480 0.859 0.941 0.882 CB 1.917 17 residues pruned to eliminate duplicates Z: 15 35.898 2.309 0.509 0.912 1.000 0.929 CB 1.950 15 residues pruned to eliminate duplicates Z: 17 51.575 2.422 0.969 0.892 1.000 0.750 CB 1.943 18 residues pruned to eliminate duplicates Z: 13 22.596 2.121 0.450 0.888 1.000 0.917 CB 1.529 Z: 17 38.631 2.284 0.741 0.880 0.938 0.938 CA 1.878 17 residues pruned to eliminate duplicates Z: 16 52.011 2.531 0.898 0.920 1.000 0.933 CB 1.968 17 residues pruned to eliminate duplicates Z: 18 37.851 2.310 0.680 0.902 0.941 0.824 C 1.793 18 residues pruned to eliminate duplicates Z: 19 46.495 2.410 0.734 0.895 1.000 0.833 CA 1.879 20 residues pruned to eliminate duplicates Z: 13 13.576 2.081 0.647 0.325 0.833 0.583 CB 1.663 Z: 15 40.830 2.320 0.741 0.887 1.000 0.929 CB 1.948 15 residues pruned to eliminate duplicates Z: 19 44.774 2.410 0.682 0.827 1.000 0.833 CA 1.961 19 residues pruned to eliminate duplicates Z: 12 24.543 2.039 0.589 0.912 1.000 1.000 CA 1.618 12 residues pruned to eliminate duplicates Z: 14 26.484 2.301 0.494 0.837 1.000 0.846 CB 1.598 14 residues pruned to eliminate duplicates Z: 12 49.670 2.493 1.086 0.924 1.000 0.818 CB 2.022 12 residues pruned to eliminate duplicates Z: 15 37.450 2.307 0.578 0.902 1.000 0.929 C 1.961 15 residues pruned to eliminate duplicates Z: 17 45.577 2.349 0.742 0.930 1.000 1.000 CA 1.947 17 residues pruned to eliminate duplicates Z: 13 22.894 2.111 0.371 0.854 0.917 0.833 CA 1.841 Z: 10 20.663 2.251 0.526 0.867 1.000 0.778 CA 1.467 10 residues pruned to eliminate duplicates Z: 74 66.487 2.373 0.793 0.577 0.973 0.671 CB 1.746 72 residues pruned to eliminate duplicates Z: 11 19.028 2.029 0.580 0.819 0.900 0.700 CA 1.580 11 residues pruned to eliminate duplicates Z: 16 37.458 2.198 0.708 0.932 1.000 1.000 CB 1.799 16 residues pruned to eliminate duplicates Z: 9 28.757 2.248 0.781 0.878 1.000 0.875 CB 1.842 9 residues pruned to eliminate duplicates Z: 18 38.788 2.340 0.597 0.894 1.000 0.941 C 1.805 17 residues pruned to eliminate duplicates Z: 11 29.838 2.315 0.649 0.910 1.000 0.900 CA 1.754 11 residues pruned to eliminate duplicates Z: 43 36.218 2.272 0.684 0.480 0.881 0.619 CB 1.691 36 residues pruned to eliminate duplicates Z: 18 32.377 2.196 0.534 0.932 0.941 0.941 C 1.729 18 residues pruned to eliminate duplicates Z: 13 33.286 2.287 0.655 0.936 1.000 0.917 CB 1.768 13 residues pruned to eliminate duplicates Z: 16 32.986 2.131 0.818 0.860 0.933 0.867 CA 1.732 16 residues pruned to eliminate duplicates Z: 61 55.619 2.375 0.749 0.556 0.950 0.700 CB 1.723 61 residues pruned to eliminate duplicates Z: 9 29.572 2.265 0.809 0.870 1.000 1.000 CB 1.862 9 residues pruned to eliminate duplicates Z: 75 45.075 2.184 0.524 0.604 0.946 0.716 CB 1.508 25 residues pruned to eliminate duplicates Z: 25 44.801 2.308 0.752 0.790 0.958 0.583 CA 1.830 18 residues pruned to eliminate duplicates Z: 12 37.162 2.441 0.627 0.910 1.000 0.909 CA 2.001 13 residues pruned to eliminate duplicates Z: 111 77.595 2.330 0.746 0.633 0.927 0.718 CB 1.731 53 residues pruned to eliminate duplicates Z: 46 47.313 2.281 0.673 0.603 1.000 0.689 CB 1.676 46 residues pruned to eliminate duplicates Z: 13 28.099 2.194 0.441 0.907 1.000 1.000 CA 1.824 13 residues pruned to eliminate duplicates Z: 15 46.589 2.324 1.023 0.905 1.000 1.000 C 1.885 15 residues pruned to eliminate duplicates Z: 21 42.927 2.369 0.578 0.855 1.000 0.700 CA 1.895 21 residues pruned to eliminate duplicates Z: 20 36.306 2.323 0.651 0.839 0.895 0.737 CB 1.813 20 residues pruned to eliminate duplicates Z: 46 45.460 2.272 0.634 0.616 1.000 0.667 CB 1.636 46 residues pruned to eliminate duplicates Z: 15 43.789 2.328 0.819 0.924 1.000 0.929 CA 1.941 15 residues pruned to eliminate duplicates Z: 17 41.671 2.311 0.669 0.931 1.000 0.938 CA 1.887 17 residues pruned to eliminate duplicates Z: 17 49.206 2.431 0.889 0.922 1.000 0.938 C 1.883 17 residues pruned to eliminate duplicates Z: 18 38.584 2.317 0.552 0.904 1.000 0.941 CA 1.854 18 residues pruned to eliminate duplicates Z: 10 17.905 2.232 0.266 0.874 1.000 0.889 CA 1.536 10 residues pruned to eliminate duplicates Z: 13 28.452 2.125 0.616 0.904 1.000 0.917 CB 1.704 13 residues pruned to eliminate duplicates Z: 21 46.020 2.296 0.805 0.858 1.000 0.550 CA 1.828 21 residues pruned to eliminate duplicates Z: 15 43.951 2.336 0.836 0.891 1.000 0.857 C 1.969 15 residues pruned to eliminate duplicates Z: 11 21.213 2.172 0.269 0.915 1.000 0.900 CB 1.720 11 residues pruned to eliminate duplicates Z: 20 41.172 2.333 0.589 0.862 1.000 0.737 CB 1.870 20 residues pruned to eliminate duplicates Z: 15 14.977 2.050 0.522 0.380 0.857 0.714 CB 1.700 13 residues pruned to eliminate duplicates Z: 23 25.253 2.142 0.442 0.751 0.864 0.591 CB 1.614 23 residues pruned to eliminate duplicates Z: 15 31.157 2.200 0.689 0.874 0.929 0.714 C 1.757 13 residues pruned to eliminate duplicates Z: 10 20.548 2.196 0.469 0.859 1.000 0.667 CA 1.563 11 residues pruned to eliminate duplicates Z: 9 18.020 2.112 0.272 0.900 1.000 1.000 C 1.693 9 residues pruned to eliminate duplicates Z: 13 24.105 2.104 0.521 0.881 1.000 0.917 CA 1.574 13 residues pruned to eliminate duplicates Z: 20 36.835 2.222 0.535 0.896 1.000 0.737 CB 1.776 15 residues pruned to eliminate duplicates Z: 17 50.563 2.403 0.990 0.908 1.000 0.875 CB 1.877 17 residues pruned to eliminate duplicates Z: 42 39.677 2.308 0.690 0.512 0.902 0.707 CB 1.740 42 residues pruned to eliminate duplicates Z: 9 15.004 2.169 0.252 0.860 0.875 0.875 CA 1.642 9 residues pruned to eliminate duplicates Z: 19 44.263 2.383 0.618 0.916 1.000 0.833 CA 1.910 19 residues pruned to eliminate duplicates Z: 13 31.754 2.174 0.806 0.868 1.000 0.667 CB 1.706 15 residues pruned to eliminate duplicates Z: 12 25.021 2.197 0.533 0.913 1.000 0.909 CA 1.584 12 residues pruned to eliminate duplicates Z: 56 41.771 2.255 0.649 0.474 0.945 0.564 CB 1.645 44 residues pruned to eliminate duplicates Z: 41 29.170 2.175 0.588 0.503 0.900 0.625 CB 1.480 47 residues pruned to eliminate duplicates Z: 11 16.085 2.252 0.670 0.466 0.900 0.800 CB 1.556 11 residues pruned to eliminate duplicates Z: 17 45.450 2.379 0.926 0.897 1.000 0.938 C 1.776 17 residues pruned to eliminate duplicates Z: 18 50.363 2.328 1.205 0.837 0.941 0.824 CB 1.891 18 residues pruned to eliminate duplicates Z: 11 21.662 2.178 0.323 0.914 1.000 0.900 CB 1.682 11 residues pruned to eliminate duplicates Z: 72 49.948 2.291 0.576 0.581 0.915 0.648 CB 1.659 72 residues pruned to eliminate duplicates Z: 89 70.549 2.313 0.741 0.655 0.909 0.659 CB 1.778 89 residues pruned to eliminate duplicates Z: 11 15.003 2.221 0.145 0.862 0.900 0.900 CB 1.522 11 residues pruned to eliminate duplicates Z: 18 44.367 2.315 0.827 0.860 1.000 0.882 CA 1.871 18 residues pruned to eliminate duplicates Z: 13 42.404 2.291 1.117 0.931 1.000 1.000 CB 1.763 13 residues pruned to eliminate duplicates Z: 13 36.827 2.282 0.867 0.931 1.000 0.917 CB 1.744 13 residues pruned to eliminate duplicates Z: 12 33.387 2.274 0.752 0.909 1.000 0.909 CB 1.794 12 residues pruned to eliminate duplicates Z: 19 40.071 2.376 0.540 0.858 1.000 0.833 CA 1.900 19 residues pruned to eliminate duplicates Z: 7 16.419 2.304 0.257 0.811 1.000 0.500 CA 1.765 7 residues pruned to eliminate duplicates Z: 18 30.728 2.296 0.365 0.896 1.000 0.941 CB 1.703 18 residues pruned to eliminate duplicates Z: 12 28.583 2.301 0.385 0.905 1.000 1.000 CB 1.925 12 residues pruned to eliminate duplicates Z: 15 50.112 2.312 1.184 0.933 1.000 0.786 CB 1.852 14 residues pruned to eliminate duplicates Z: 18 36.861 2.289 0.533 0.882 1.000 0.882 CA 1.845 18 residues pruned to eliminate duplicates Z: 13 19.920 2.007 0.639 0.863 0.917 0.917 CA 1.399 13 residues pruned to eliminate duplicates Z: 16 34.420 2.196 0.645 0.886 1.000 0.867 CA 1.774 16 residues pruned to eliminate duplicates Z: 23 32.239 2.141 0.597 0.829 0.909 0.636 CB 1.664 20 residues pruned to eliminate duplicates Z: 13 23.970 2.172 0.584 0.819 0.917 0.833 CB 1.663 13 residues pruned to eliminate duplicates Z: 13 33.369 2.206 0.764 0.878 1.000 0.833 CA 1.796 13 residues pruned to eliminate duplicates Z: 21 35.047 2.227 0.600 0.805 0.950 0.650 CB 1.774 21 residues pruned to eliminate duplicates Z: 9 14.163 2.127 0.238 0.881 0.875 0.875 CB 1.574 9 residues pruned to eliminate duplicates Z: 18 46.890 2.310 0.879 0.889 1.000 0.824 CA 1.886 18 residues pruned to eliminate duplicates Z: 11 21.930 2.070 0.458 0.868 1.000 0.700 C 1.680 11 residues pruned to eliminate duplicates Z: 10 12.046 2.089 0.118 0.872 0.889 0.778 CA 1.410 Z: 16 45.439 2.486 0.851 0.918 1.000 0.933 C 1.798 16 residues pruned to eliminate duplicates Z: 26 37.831 2.267 0.497 0.766 1.000 0.760 CA 1.761 26 residues pruned to eliminate duplicates Z: 13 29.983 2.163 0.656 0.884 1.000 1.000 CB 1.745 13 residues pruned to eliminate duplicates Z: 10 17.503 2.008 0.515 0.841 0.889 0.667 C 1.609 10 residues pruned to eliminate duplicates Z: 14 22.156 1.981 0.591 0.872 0.923 0.692 CB 1.539 Z: 14 21.318 1.896 0.481 0.889 1.000 0.846 CB 1.516 15 residues pruned to eliminate duplicates Z: 46 49.041 2.290 0.769 0.607 0.978 0.667 CB 1.666 46 residues pruned to eliminate duplicates Z: 13 28.688 2.212 0.575 0.870 1.000 0.917 CA 1.735 13 residues pruned to eliminate duplicates Z: 14 23.996 1.940 0.606 0.903 1.000 1.000 CB 1.523 13 residues pruned to eliminate duplicates Z: 13 26.588 2.121 0.693 0.892 1.000 0.833 CB 1.536 Z: 18 52.135 2.264 1.177 0.905 1.000 0.882 CB 1.825 17 residues pruned to eliminate duplicates Z: 19 30.664 2.195 0.485 0.851 0.944 0.833 CB 1.738 19 residues pruned to eliminate duplicates Z: 15 10.869 1.966 0.399 0.313 0.857 0.643 CB 1.517 15 residues pruned to eliminate duplicates Z: 13 35.556 2.254 1.058 0.896 0.917 0.750 CA 1.728 13 residues pruned to eliminate duplicates Z: 12 22.446 2.034 0.593 0.888 1.000 0.909 CB 1.505 12 residues pruned to eliminate duplicates Z: 10 22.700 2.011 0.550 0.875 1.000 1.000 C 1.765 10 residues pruned to eliminate duplicates Z: 18 28.539 2.286 0.504 0.861 0.882 0.824 CB 1.676 18 residues pruned to eliminate duplicates Z: 17 37.545 2.296 0.636 0.882 0.938 0.875 CA 1.929 17 residues pruned to eliminate duplicates Z: 9 11.274 1.954 0.273 0.883 1.000 0.875 CB 1.159 9 residues pruned to eliminate duplicates Z: 9 18.649 2.071 0.483 0.888 1.000 0.875 CA 1.546 10 residues pruned to eliminate duplicates Z: 11 15.316 2.009 0.426 0.846 0.900 0.600 CA 1.396 10 residues pruned to eliminate duplicates Z: 11 15.189 2.074 0.229 0.832 0.900 0.900 CB 1.572 11 residues pruned to eliminate duplicates Z: 14 23.520 1.994 0.516 0.894 1.000 0.846 CB 1.548 15 residues pruned to eliminate duplicates Z: 17 40.728 2.412 0.612 0.896 1.000 0.938 CB 1.876 17 residues pruned to eliminate duplicates Z: 15 34.238 2.270 0.511 0.895 1.000 0.857 CA 1.913 15 residues pruned to eliminate duplicates Z: 15 43.765 2.272 1.003 0.928 1.000 0.571 CB 1.800 15 residues pruned to eliminate duplicates Z: 13 24.873 1.965 0.657 0.897 1.000 0.917 CB 1.578 13 residues pruned to eliminate duplicates Z: 11 21.072 2.235 0.253 0.899 1.000 1.000 CA 1.700 11 residues pruned to eliminate duplicates Z: 12 17.407 1.935 0.570 0.928 1.000 0.818 CB 1.210 12 residues pruned to eliminate duplicates Z: 12 22.401 2.151 0.331 0.911 1.000 1.000 CA 1.673 12 residues pruned to eliminate duplicates Z: 8 10.230 2.219 -0.305 0.906 1.000 1.000 CB 1.784 Z: 99 78.074 2.336 0.754 0.684 0.918 0.704 CB 1.770 99 residues pruned to eliminate duplicates Z: 17 43.991 2.350 0.860 0.918 1.000 0.875 C 1.774 17 residues pruned to eliminate duplicates Z: 13 19.404 2.116 0.237 0.909 1.000 0.917 CB 1.520 13 residues pruned to eliminate duplicates Z: 11 24.261 2.174 0.529 0.920 1.000 0.900 CB 1.625 11 residues pruned to eliminate duplicates Z: 18 42.418 2.305 0.846 0.849 0.941 0.824 CB 1.904 18 residues pruned to eliminate duplicates Z: 16 48.893 2.516 0.844 0.932 1.000 0.933 C 1.900 16 residues pruned to eliminate duplicates Z: 13 28.965 2.116 0.751 0.856 1.000 0.917 CB 1.664 13 residues pruned to eliminate duplicates Z: 25 39.255 2.255 0.544 0.755 1.000 0.625 CB 1.834 23 residues pruned to eliminate duplicates Z: 13 23.579 2.204 0.517 0.813 0.917 0.750 CB 1.691 13 residues pruned to eliminate duplicates Z: 11 20.372 2.152 0.275 0.925 1.000 0.900 CB 1.647 11 residues pruned to eliminate duplicates Z: 9 13.997 2.120 0.053 0.886 1.000 0.875 CB 1.600 8 residues pruned to eliminate duplicates Z: 15 38.496 2.297 0.848 0.867 0.929 0.857 CA 1.909 15 residues pruned to eliminate duplicates Z: 16 42.443 2.117 1.100 0.944 1.000 0.467 C 1.708 16 residues pruned to eliminate duplicates Z: 17 42.736 2.396 0.674 0.925 1.000 0.938 C 1.868 17 residues pruned to eliminate duplicates Z: 13 25.983 2.174 0.604 0.859 0.917 0.833 CB 1.726 13 residues pruned to eliminate duplicates Z: 13 25.274 2.114 0.548 0.927 1.000 0.833 CB 1.563 13 residues pruned to eliminate duplicates Z: 32 35.669 2.278 0.886 0.577 0.839 0.581 CB 1.651 26 residues pruned to eliminate duplicates Z: 16 44.000 2.234 1.006 0.924 1.000 0.933 C 1.781 17 residues pruned to eliminate duplicates Z: 15 35.665 2.264 0.598 0.899 1.000 0.929 CB 1.883 15 residues pruned to eliminate duplicates Z: 13 29.127 2.314 0.596 0.881 0.917 0.750 CB 1.799 13 residues pruned to eliminate duplicates Z: 11 12.188 1.866 0.327 0.760 0.900 0.700 CA 1.373 9 residues pruned to eliminate duplicates Z: 9 22.894 2.118 0.573 0.881 1.000 0.875 C 1.759 9 residues pruned to eliminate duplicates Z: 18 40.499 2.268 0.877 0.842 0.941 0.765 CB 1.827 18 residues pruned to eliminate duplicates Z: 10 20.635 2.191 0.428 0.896 1.000 0.778 CB 1.574 11 residues pruned to eliminate duplicates Z: 25 38.227 2.261 0.574 0.768 0.958 0.708 CB 1.805 25 residues pruned to eliminate duplicates Z: 22 39.768 2.258 0.736 0.811 0.952 0.714 CA 1.773 22 residues pruned to eliminate duplicates Z: 17 47.060 2.266 1.113 0.908 0.938 0.875 CA 1.862 17 residues pruned to eliminate duplicates Z: 8 23.794 2.215 0.616 0.854 1.000 0.714 CA 1.855 8 residues pruned to eliminate duplicates Z: 57 48.220 2.253 0.668 0.595 0.982 0.696 CB 1.594 56 residues pruned to eliminate duplicates Z: 13 22.187 1.941 0.559 0.857 1.000 0.750 CB 1.560 13 residues pruned to eliminate duplicates Z: 9 10.007 1.875 0.298 0.711 0.875 0.500 CA 1.371 9 residues pruned to eliminate duplicates Z: 13 31.454 2.141 0.800 0.890 1.000 0.917 CB 1.695 13 residues pruned to eliminate duplicates Z: 9 24.688 2.157 0.872 0.923 1.000 0.750 CB 1.519 9 residues pruned to eliminate duplicates Z: 69 45.737 2.209 0.682 0.533 0.912 0.632 CB 1.585 69 residues pruned to eliminate duplicates Z: 11 21.231 2.052 0.489 0.913 1.000 0.800 CB 1.554 10 residues pruned to eliminate duplicates Z: 21 40.226 2.206 0.860 0.865 0.950 0.650 CB 1.690 21 residues pruned to eliminate duplicates Z: 9 30.168 2.244 0.804 0.874 1.000 1.000 C 1.918 9 residues pruned to eliminate duplicates Z: 13 23.951 2.142 0.425 0.885 1.000 1.000 CA 1.636 13 residues pruned to eliminate duplicates Z: 8 17.326 2.243 0.202 0.883 1.000 0.857 CB 1.756 11 residues pruned to eliminate duplicates Z: 12 33.468 2.275 0.768 0.925 1.000 0.818 CB 1.760 12 residues pruned to eliminate duplicates Z: 13 29.240 2.181 0.638 0.918 1.000 1.000 CB 1.666 13 residues pruned to eliminate duplicates Z: 8 9.401 2.058 -0.162 0.831 1.000 0.714 CB 1.547 8 residues pruned to eliminate duplicates Z: 10 11.246 1.854 0.280 0.870 1.000 0.778 CB 1.153 10 residues pruned to eliminate duplicates Z: 8 13.328 2.068 0.227 0.892 1.000 1.000 CB 1.426 8 residues pruned to eliminate duplicates Z: 12 26.153 2.256 0.337 0.889 1.000 1.000 CA 1.882 12 residues pruned to eliminate duplicates Z: 18 48.053 2.324 0.977 0.896 1.000 0.824 CA 1.817 18 residues pruned to eliminate duplicates Z: 12 29.181 2.233 0.595 0.934 1.000 0.909 CB 1.722 12 residues pruned to eliminate duplicates Z: 10 10.719 2.082 -0.029 0.898 1.000 0.667 CB 1.265 10 residues pruned to eliminate duplicates Z: 99 68.601 2.283 0.634 0.612 0.939 0.582 CB 1.780 99 residues pruned to eliminate duplicates Z: 11 21.742 1.969 0.752 0.913 1.000 0.800 CB 1.410 11 residues pruned to eliminate duplicates Z: 14 22.026 2.032 0.335 0.871 1.000 0.923 CB 1.643 14 residues pruned to eliminate duplicates Z: 13 23.391 2.098 0.480 0.899 1.000 0.917 CB 1.555 13 residues pruned to eliminate duplicates Z: 84 64.961 2.337 0.637 0.658 0.928 0.627 CB 1.735 84 residues pruned to eliminate duplicates Z: 14 32.725 1.991 0.986 0.903 1.000 0.846 C 1.636 15 residues pruned to eliminate duplicates Z: 97 74.644 2.315 0.719 0.673 0.938 0.740 CB 1.741 97 residues pruned to eliminate duplicates Z: 11 23.377 2.077 0.561 0.928 1.000 0.800 CB 1.596 11 residues pruned to eliminate duplicates Z: 40 40.738 2.317 0.663 0.593 0.872 0.667 CB 1.777 29 residues pruned to eliminate duplicates Z: 11 22.851 2.174 0.426 0.923 1.000 0.900 CA 1.637 11 residues pruned to eliminate duplicates Z: 15 40.479 2.281 0.893 0.869 1.000 0.714 C 1.830 15 residues pruned to eliminate duplicates Z: 20 43.426 2.305 0.744 0.901 1.000 0.842 CB 1.770 20 residues pruned to eliminate duplicates Z: 79 52.910 2.208 0.692 0.639 0.885 0.628 CB 1.591 73 residues pruned to eliminate duplicates Z: 13 26.574 2.125 0.550 0.899 1.000 1.000 CB 1.665 13 residues pruned to eliminate duplicates Z: 102 65.652 2.300 0.684 0.623 0.891 0.653 CB 1.686 102 residues pruned to eliminate duplicates Z: 13 24.330 2.118 0.608 0.873 1.000 0.917 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 7.878 1.891 0.338 0.193 1.000 0.583 CB 1.297 13 residues pruned to eliminate duplicates Z: 13 18.733 2.089 0.235 0.883 1.000 0.917 CB 1.516 13 residues pruned to eliminate duplicates Z: 12 21.382 2.019 0.602 0.781 1.000 0.818 CA 1.557 12 residues pruned to eliminate duplicates Z: 11 16.987 2.130 0.626 0.774 0.800 0.700 CB 1.522 11 residues pruned to eliminate duplicates Z: 8 15.674 2.274 0.358 0.843 0.857 0.714 CB 1.667 8 residues pruned to eliminate duplicates Z: 15 43.494 2.317 0.814 0.943 1.000 1.000 CA 1.918 16 residues pruned to eliminate duplicates Z: 37 36.564 2.245 0.748 0.478 0.944 0.694 CB 1.681 36 residues pruned to eliminate duplicates Z: 20 40.549 2.258 0.725 0.878 1.000 0.789 CB 1.734 20 residues pruned to eliminate duplicates Z: 46 51.035 2.401 0.674 0.586 1.000 0.733 CB 1.743 46 residues pruned to eliminate duplicates Z: 21 38.495 2.388 0.610 0.824 0.900 0.750 CA 1.879 21 residues pruned to eliminate duplicates Z: 17 49.588 2.379 0.909 0.938 1.000 0.938 C 1.898 24 residues pruned to eliminate duplicates Z: 13 28.219 2.127 0.767 0.878 1.000 0.667 CB 1.572 14 residues pruned to eliminate duplicates Z: 14 24.548 1.981 0.671 0.869 1.000 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 11 20.908 2.052 0.500 0.918 1.000 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 9 15.660 2.075 0.777 0.744 0.875 0.875 C 1.380 9 residues pruned to eliminate duplicates Z: 14 22.988 2.171 0.431 0.870 0.923 0.846 CA 1.624 14 residues pruned to eliminate duplicates Z: 22 38.244 2.275 0.489 0.827 1.000 0.619 CB 1.857 22 residues pruned to eliminate duplicates Z: 14 22.877 2.074 0.606 0.819 1.000 0.769 CB 1.444 14 residues pruned to eliminate duplicates Z: 25 32.515 2.157 0.990 0.664 0.875 0.458 CB 1.518 13 residues pruned to eliminate duplicates Z: 44 44.032 2.334 0.746 0.616 0.907 0.651 CB 1.628 44 residues pruned to eliminate duplicates Z: 9 16.021 2.134 0.352 0.818 1.000 0.625 CA 1.490 9 residues pruned to eliminate duplicates Z: 22 43.719 2.331 0.662 0.830 1.000 0.714 CA 1.853 22 residues pruned to eliminate duplicates Z: 12 16.602 2.112 0.230 0.920 1.000 0.909 CB 1.357 12 residues pruned to eliminate duplicates Z: 57 49.916 2.247 0.742 0.610 0.982 0.714 CB 1.563 57 residues pruned to eliminate duplicates Z: 13 21.245 2.075 0.552 0.798 0.917 0.667 CB 1.600 13 residues pruned to eliminate duplicates Z: 57 46.598 2.294 0.643 0.526 0.911 0.643 CB 1.768 36 residues pruned to eliminate duplicates Z: 17 28.738 2.192 0.532 0.915 0.938 0.812 CB 1.613 17 residues pruned to eliminate duplicates Z: 18 44.877 2.299 0.952 0.855 0.941 0.765 CB 1.902 18 residues pruned to eliminate duplicates Z: 99 65.268 2.288 0.627 0.602 0.908 0.602 CB 1.771 99 residues pruned to eliminate duplicates Z: 14 24.951 1.927 0.651 0.916 1.000 0.846 CB 1.536 14 residues pruned to eliminate duplicates Z: 14 18.247 2.090 0.328 0.794 1.000 0.769 CB 1.410 14 residues pruned to eliminate duplicates Z: 10 13.877 1.945 0.409 0.862 0.889 0.444 CB 1.394 10 residues pruned to eliminate duplicates Z: 9 10.070 1.981 0.056 0.888 1.000 0.875 CB 1.226 9 residues pruned to eliminate duplicates Z: 13 23.828 2.210 0.469 0.827 0.917 0.917 CA 1.741 13 residues pruned to eliminate duplicates Z: 18 44.003 2.280 0.862 0.905 1.000 0.882 CA 1.789 18 residues pruned to eliminate duplicates Z: 13 20.761 2.129 0.345 0.886 1.000 0.917 CB 1.511 13 residues pruned to eliminate duplicates Z: 84 63.324 2.272 0.641 0.651 0.952 0.651 CB 1.702 84 residues pruned to eliminate duplicates Z: 10 21.434 1.969 0.723 0.801 1.000 0.778 CB 1.618 10 residues pruned to eliminate duplicates Z: 92 57.557 2.258 0.575 0.614 0.923 0.626 CB 1.650 92 residues pruned to eliminate duplicates Z: 18 38.074 2.413 0.551 0.886 1.000 0.941 CB 1.780 18 residues pruned to eliminate duplicates Z: 14 25.166 2.170 0.668 0.633 1.000 0.692 CB 1.702 14 residues pruned to eliminate duplicates Z: 17 34.534 2.381 0.437 0.914 1.000 0.938 CB 1.784 17 residues pruned to eliminate duplicates Z: 107 74.900 2.311 0.725 0.628 0.934 0.642 CB 1.732 107 residues pruned to eliminate duplicates Z: 9 25.190 2.179 0.763 0.817 1.000 0.750 CB 1.761 9 residues pruned to eliminate duplicates Z: 11 38.783 2.344 0.977 0.931 1.000 0.900 CA 1.849 11 residues pruned to eliminate duplicates Z: 21 42.341 2.327 0.705 0.884 0.950 0.950 CB 1.815 21 residues pruned to eliminate duplicates Z: 11 24.951 2.057 0.708 0.923 1.000 0.800 CB 1.579 11 residues pruned to eliminate duplicates Z: 10 18.965 2.014 1.041 0.764 0.778 0.667 C 1.564 10 residues pruned to eliminate duplicates Z: 23 40.831 2.150 0.980 0.811 0.909 0.682 CB 1.717 23 residues pruned to eliminate duplicates Z: 11 20.175 2.130 0.293 0.903 1.000 0.800 CB 1.651 11 residues pruned to eliminate duplicates Z: 66 41.157 2.174 0.658 0.511 0.892 0.677 CB 1.569 66 residues pruned to eliminate duplicates Z: 10 18.108 2.234 0.186 0.933 1.000 1.000 CB 1.589 10 residues pruned to eliminate duplicates Z: 11 19.060 2.001 0.444 0.854 1.000 0.400 CB 1.541 11 residues pruned to eliminate duplicates Z: 10 12.246 1.945 0.396 0.762 0.889 0.667 CB 1.340 10 residues pruned to eliminate duplicates Z: 25 39.855 2.220 0.667 0.806 0.958 0.750 CA 1.756 25 residues pruned to eliminate duplicates Z: 15 37.080 2.201 0.925 0.838 1.000 0.786 CA 1.747 15 residues pruned to eliminate duplicates Z: 15 38.836 2.241 0.869 0.904 1.000 0.929 CB 1.765 15 residues pruned to eliminate duplicates Z: 15 42.341 2.315 0.871 0.921 1.000 0.857 CB 1.839 15 residues pruned to eliminate duplicates Z: 9 13.603 2.235 0.110 0.834 0.875 0.625 CA 1.661 9 residues pruned to eliminate duplicates Z: 11 24.163 2.162 0.472 0.917 1.000 0.700 CA 1.695 11 residues pruned to eliminate duplicates Z: 15 46.355 2.235 1.124 0.893 1.000 0.714 C 1.873 15 residues pruned to eliminate duplicates Z: 95 56.722 2.274 0.552 0.583 0.936 0.628 CB 1.635 95 residues pruned to eliminate duplicates Z: 14 22.472 1.974 0.751 0.803 0.923 0.769 CB 1.499 14 residues pruned to eliminate duplicates Z: 13 23.433 2.171 0.425 0.820 1.000 0.583 CB 1.657 13 residues pruned to eliminate duplicates Z: 8 11.369 2.245 0.478 0.332 1.000 0.714 CB 1.557 8 residues pruned to eliminate duplicates Z: 46 52.772 2.269 0.881 0.643 0.978 0.711 CB 1.650 44 residues pruned to eliminate duplicates Z: 22 40.310 2.181 0.673 0.919 1.000 0.810 CB 1.699 22 residues pruned to eliminate duplicates Z: 12 27.088 2.339 0.543 0.851 1.000 0.909 CB 1.675 12 residues pruned to eliminate duplicates Z: 14 26.529 1.968 0.644 0.893 1.000 0.923 CB 1.633 14 residues pruned to eliminate duplicates Z: 13 27.952 2.117 0.687 0.883 1.000 0.750 CA 1.635 13 residues pruned to eliminate duplicates Z: 13 25.721 2.078 0.711 0.877 1.000 0.750 CB 1.517 13 residues pruned to eliminate duplicates Z: 10 16.774 2.061 0.715 0.610 0.889 0.778 C 1.603 10 residues pruned to eliminate duplicates Z: 25 45.608 2.220 0.786 0.835 1.000 0.750 CB 1.760 25 residues pruned to eliminate duplicates Z: 19 45.465 2.314 0.748 0.902 1.000 0.778 C 1.889 19 residues pruned to eliminate duplicates Z: 14 25.708 1.978 0.645 0.878 1.000 0.769 CB 1.590 14 residues pruned to eliminate duplicates Z: 21 35.265 2.187 0.667 0.808 0.950 0.600 CB 1.741 21 residues pruned to eliminate duplicates Z: 14 23.981 1.966 0.495 0.910 1.000 0.923 CB 1.604 14 residues pruned to eliminate duplicates Z: 36 28.297 2.107 0.752 0.411 0.886 0.543 CB 1.605 36 residues pruned to eliminate duplicates Z: 16 53.754 2.507 0.954 0.943 1.000 1.000 C 1.963 16 residues pruned to eliminate duplicates Z: 42 39.062 2.339 0.580 0.522 0.927 0.634 CB 1.743 42 residues pruned to eliminate duplicates Z: 7 5.994 1.805 0.386 0.565 0.833 0.667 CB 1.102 7 residues pruned to eliminate duplicates Z: 9 3.435 1.939 0.430 0.412 0.750 0.625 CB 0.641 Z: 21 37.713 2.295 0.500 0.891 0.950 0.750 CB 1.854 21 residues pruned to eliminate duplicates Z: 12 32.516 2.353 0.630 0.859 1.000 0.636 CB 1.880 12 residues pruned to eliminate duplicates Z: 14 19.785 1.900 0.332 0.903 1.000 0.769 CB 1.545 14 residues pruned to eliminate duplicates Z: 8 28.005 2.434 0.650 0.893 1.000 1.000 CB 1.892 8 residues pruned to eliminate duplicates Z: 14 24.627 1.942 0.637 0.906 1.000 0.846 CB 1.529 14 residues pruned to eliminate duplicates Z: 15 42.468 2.273 0.966 0.905 1.000 0.786 C 1.808 14 residues pruned to eliminate duplicates Z: 41 32.614 2.141 0.833 0.518 0.850 0.550 CB 1.519 56 residues pruned to eliminate duplicates Z: 22 41.239 2.229 0.644 0.873 1.000 0.714 CB 1.789 22 residues pruned to eliminate duplicates Z: 10 21.126 2.359 0.129 0.847 1.000 0.778 CA 1.963 10 residues pruned to eliminate duplicates Z: 23 31.803 1.961 0.658 0.856 0.955 0.682 CA 1.611 23 residues pruned to eliminate duplicates Z: 13 19.447 2.075 0.406 0.796 0.917 0.750 CB 1.619 13 residues pruned to eliminate duplicates Z: 14 23.533 1.911 0.581 0.921 1.000 0.923 CB 1.520 14 residues pruned to eliminate duplicates Z: 99 70.194 2.249 0.741 0.607 0.949 0.612 CB 1.724 86 residues pruned to eliminate duplicates Z: 36 47.877 2.227 0.775 0.713 0.971 0.714 CB 1.738 36 residues pruned to eliminate duplicates Z: 19 25.115 2.066 0.696 0.834 0.889 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 11 19.478 2.028 0.484 0.924 1.000 0.900 CB 1.437 11 residues pruned to eliminate duplicates Z: 19 35.415 2.207 0.719 0.821 0.944 0.833 CA 1.763 19 residues pruned to eliminate duplicates Z: 14 22.636 2.038 0.643 0.826 0.846 0.692 C 1.670 14 residues pruned to eliminate duplicates Z: 14 20.218 1.943 0.712 0.819 0.923 0.692 CB 1.385 14 residues pruned to eliminate duplicates Z: 10 22.737 2.200 0.526 0.922 1.000 0.778 CB 1.588 10 residues pruned to eliminate duplicates Z: 6 4.966 1.749 0.479 0.348 0.800 0.600 CA 1.265 6 residues pruned to eliminate duplicates Z: 69 51.419 2.224 0.629 0.683 0.941 0.721 CB 1.546 72 residues pruned to eliminate duplicates Z: 54 43.175 2.161 0.674 0.666 0.925 0.642 CB 1.521 54 residues pruned to eliminate duplicates Z: 16 14.181 1.843 0.143 0.791 1.000 0.667 CB 1.347 16 residues pruned to eliminate duplicates Z: 42 43.154 2.322 0.806 0.573 0.902 0.634 CB 1.661 57 residues pruned to eliminate duplicates Z: 15 46.460 2.290 1.112 0.902 1.000 0.857 C 1.831 15 residues pruned to eliminate duplicates Z: 13 19.316 2.161 0.290 0.803 0.917 0.667 CB 1.675 13 residues pruned to eliminate duplicates Z: 10 28.606 2.388 0.433 0.882 1.000 1.000 CB 2.015 10 residues pruned to eliminate duplicates Z: 9 15.951 2.090 0.282 0.830 1.000 0.500 CB 1.582 9 residues pruned to eliminate duplicates Z: 17 11.963 2.069 0.537 0.361 0.938 0.500 CB 1.165 17 residues pruned to eliminate duplicates Z: 15 16.324 2.143 0.390 0.612 0.929 0.714 CB 1.418 15 residues pruned to eliminate duplicates Z: 13 26.611 2.124 0.708 0.879 1.000 0.917 CB 1.536 13 residues pruned to eliminate duplicates Z: 62 54.881 2.277 0.691 0.639 0.951 0.672 CB 1.685 62 residues pruned to eliminate duplicates Z: 10 19.741 2.033 0.590 0.857 1.000 0.778 CB 1.501 10 residues pruned to eliminate duplicates Z: 14 33.934 2.316 0.655 0.891 1.000 0.923 CB 1.765 14 residues pruned to eliminate duplicates Z: 11 31.817 2.322 0.692 0.916 1.000 1.000 C 1.809 11 residues pruned to eliminate duplicates Z: 12 21.908 2.185 0.258 0.871 1.000 1.000 CB 1.752 12 residues pruned to eliminate duplicates Z: 11 16.594 2.016 0.414 0.753 1.000 0.600 CA 1.469 11 residues pruned to eliminate duplicates Z: 83 55.445 2.175 0.746 0.629 0.927 0.659 CB 1.540 83 residues pruned to eliminate duplicates Z: 14 22.515 1.960 0.731 0.838 0.923 0.692 CB 1.490 14 residues pruned to eliminate duplicates Z: 13 19.763 1.997 0.463 0.920 1.000 0.917 CB 1.375 13 residues pruned to eliminate duplicates Z: 6 5.415 1.988 0.066 0.412 1.000 0.400 CB 1.253 Z: 9 10.908 2.161 0.181 0.768 0.875 0.625 CA 1.361 9 residues pruned to eliminate duplicates Z: 19 32.670 2.163 0.531 0.817 1.000 0.667 CA 1.765 19 residues pruned to eliminate duplicates Z: 12 18.215 2.089 0.388 0.924 1.000 0.909 CB 1.330 12 residues pruned to eliminate duplicates Z: 15 22.308 1.855 0.496 0.910 1.000 1.000 CB 1.524 14 residues pruned to eliminate duplicates Z: 104 57.061 2.230 0.515 0.599 0.942 0.670 CB 1.608 104 residues pruned to eliminate duplicates Z: 13 26.966 2.162 0.713 0.886 1.000 0.667 CB 1.516 13 residues pruned to eliminate duplicates Z: 14 27.394 1.977 0.763 0.875 1.000 0.769 CB 1.585 15 residues pruned to eliminate duplicates Z: 12 8.339 1.969 0.426 0.355 0.818 0.727 CB 1.280 14 residues pruned to eliminate duplicates Z: 12 33.205 2.233 0.794 0.879 1.000 0.727 CA 1.812 12 residues pruned to eliminate duplicates Z: 102 58.536 2.284 0.612 0.580 0.891 0.634 CB 1.644 102 residues pruned to eliminate duplicates Z: 14 26.783 2.027 0.649 0.890 1.000 0.846 C 1.599 14 residues pruned to eliminate duplicates Z: 63 64.595 2.346 0.756 0.655 0.935 0.661 CB 1.844 64 residues pruned to eliminate duplicates Z: 10 12.842 2.082 0.067 0.917 1.000 1.000 CB 1.360 10 residues pruned to eliminate duplicates Z: 13 40.367 2.251 1.114 0.923 1.000 0.833 CB 1.721 13 residues pruned to eliminate duplicates Z: 13 39.481 2.263 0.991 0.950 1.000 1.000 CA 1.745 13 residues pruned to eliminate duplicates Z: 39 32.141 2.184 0.657 0.501 0.895 0.658 CB 1.608 39 residues pruned to eliminate duplicates Z: 37 30.154 2.284 0.490 0.506 0.889 0.806 CB 1.651 37 residues pruned to eliminate duplicates Z: 11 18.054 1.972 0.542 0.882 0.900 0.800 CA 1.509 11 residues pruned to eliminate duplicates Z: 19 22.292 2.076 0.514 0.562 0.944 0.889 CA 1.667 19 residues pruned to eliminate duplicates Z: 16 8.994 1.887 0.358 0.454 0.933 0.733 CB 1.018 13 residues pruned to eliminate duplicates Z: 19 39.522 2.156 0.904 0.833 0.944 0.722 C 1.802 19 residues pruned to eliminate duplicates Z: 14 45.985 2.420 0.886 0.923 1.000 0.846 CB 1.963 14 residues pruned to eliminate duplicates Z: 10 14.050 2.034 0.307 0.902 0.889 0.778 CB 1.414 10 residues pruned to eliminate duplicates Z: 45 48.496 2.232 0.779 0.626 1.000 0.727 CB 1.635 45 residues pruned to eliminate duplicates Z: 15 46.716 2.320 1.066 0.922 1.000 0.857 C 1.833 15 residues pruned to eliminate duplicates Z: 26 26.371 2.107 0.592 0.571 0.920 0.760 CB 1.596 26 residues pruned to eliminate duplicates Z: 23 21.746 2.018 0.588 0.499 0.909 0.591 CB 1.593 23 residues pruned to eliminate duplicates Z: 11 19.465 1.987 0.410 0.933 1.000 0.800 CB 1.533 11 residues pruned to eliminate duplicates Z: 14 24.664 1.975 0.705 0.861 0.923 0.769 CB 1.618 14 residues pruned to eliminate duplicates Z: 12 29.074 2.108 0.871 0.880 1.000 0.909 CB 1.611 12 residues pruned to eliminate duplicates Z: 18 11.720 2.065 0.061 0.586 0.941 0.882 CB 1.269 18 residues pruned to eliminate duplicates Z: 13 26.383 2.119 0.791 0.885 1.000 0.917 CB 1.449 13 residues pruned to eliminate duplicates Z: 8 14.861 2.172 0.365 0.834 0.857 0.571 CB 1.657 8 residues pruned to eliminate duplicates Z: 7 13.180 2.233 0.225 0.870 1.000 1.000 CB 1.435 7 residues pruned to eliminate duplicates Z: 21 20.930 2.227 0.285 0.568 0.950 0.700 CA 1.611 21 residues pruned to eliminate duplicates Z: 13 16.861 2.020 0.198 0.912 1.000 0.833 CB 1.424 13 residues pruned to eliminate duplicates Z: 9 17.188 2.067 0.324 0.864 1.000 0.875 C 1.628 9 residues pruned to eliminate duplicates Z: 13 27.329 2.173 0.587 0.833 1.000 0.833 CB 1.717 13 residues pruned to eliminate duplicates Z: 98 66.339 2.253 0.719 0.673 0.928 0.660 CB 1.599 100 residues pruned to eliminate duplicates Z: 23 33.255 2.219 0.611 0.776 0.864 0.727 CB 1.800 23 residues pruned to eliminate duplicates Z: 45 44.592 2.299 0.592 0.617 0.977 0.682 CB 1.683 45 residues pruned to eliminate duplicates Z: 14 22.232 2.005 0.500 0.927 1.000 0.923 CA 1.437 14 residues pruned to eliminate duplicates Z: 28 21.993 2.099 0.571 0.474 0.926 0.593 CB 1.423 28 residues pruned to eliminate duplicates Z: 15 9.701 1.993 0.366 0.505 0.929 0.643 CB 1.020 14 residues pruned to eliminate duplicates Z: 36 38.829 2.177 0.772 0.710 0.886 0.714 CB 1.588 36 residues pruned to eliminate duplicates Z: 36 50.418 2.298 0.849 0.667 0.943 0.629 CB 1.821 36 residues pruned to eliminate duplicates Z: 11 9.373 1.833 0.460 0.399 0.900 0.600 CA 1.368 11 residues pruned to eliminate duplicates Z: 76 51.318 2.219 0.628 0.633 0.907 0.667 CB 1.596 76 residues pruned to eliminate duplicates Z: 11 15.050 1.991 0.362 0.891 1.000 0.900 CB 1.261 11 residues pruned to eliminate duplicates Z: 28 30.158 2.253 0.608 0.550 0.926 0.741 CB 1.649 28 residues pruned to eliminate duplicates Z: 36 38.167 2.224 0.757 0.728 0.914 0.743 CB 1.470 36 residues pruned to eliminate duplicates Z: 37 48.823 2.267 0.816 0.661 0.944 0.528 CB 1.803 36 residues pruned to eliminate duplicates Z: 13 22.511 2.117 0.335 0.927 1.000 1.000 CB 1.611 13 residues pruned to eliminate duplicates Z: 12 18.640 2.109 0.378 0.833 0.909 0.909 CB 1.596 12 residues pruned to eliminate duplicates Z: 12 41.290 2.322 1.046 0.908 1.000 0.909 CA 1.862 12 residues pruned to eliminate duplicates Z: 13 25.921 2.071 0.715 0.910 1.000 0.917 C 1.495 13 residues pruned to eliminate duplicates Z: 46 42.551 2.279 0.574 0.608 0.978 0.711 CB 1.632 46 residues pruned to eliminate duplicates Z: 12 27.400 2.405 0.417 0.742 1.000 1.000 CB 1.953 12 residues pruned to eliminate duplicates Z: 58 42.251 2.183 0.796 0.537 0.842 0.579 CB 1.634 58 residues pruned to eliminate duplicates Z: 37 45.436 2.209 0.789 0.701 0.944 0.667 CB 1.689 37 residues pruned to eliminate duplicates Z: 11 13.842 1.973 0.238 0.878 1.000 1.000 CB 1.300 11 residues pruned to eliminate duplicates Z: 11 13.190 1.976 0.112 0.902 1.000 1.000 CB 1.354 11 residues pruned to eliminate duplicates Z: 9 13.747 1.976 0.395 0.889 1.000 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 8 22.240 2.321 0.417 0.879 1.000 1.000 CB 1.853 8 residues pruned to eliminate duplicates Z: 11 26.232 2.135 0.680 0.909 1.000 0.700 CB 1.641 11 residues pruned to eliminate duplicates Z: 12 18.588 2.119 0.320 0.910 1.000 0.818 CB 1.421 12 residues pruned to eliminate duplicates Z: 21 24.696 1.881 0.827 0.724 0.850 0.450 CB 1.544 21 residues pruned to eliminate duplicates Z: 13 13.407 1.985 0.032 0.908 1.000 1.000 CB 1.341 13 residues pruned to eliminate duplicates Z: 14 28.804 2.328 0.435 0.892 1.000 0.846 CB 1.718 14 residues pruned to eliminate duplicates Z: 16 23.586 2.189 0.513 0.660 0.867 0.733 CA 1.830 16 residues pruned to eliminate duplicates Z: 17 32.060 2.309 0.350 0.911 1.000 0.875 CB 1.822 17 residues pruned to eliminate duplicates Z: 39 48.321 2.364 0.773 0.625 0.974 0.605 CB 1.707 39 residues pruned to eliminate duplicates Z: 34 48.729 2.292 0.871 0.660 0.939 0.636 CB 1.815 34 residues pruned to eliminate duplicates Z: 10 25.057 2.167 0.616 0.906 1.000 1.000 CB 1.697 10 residues pruned to eliminate duplicates Z: 84 58.090 2.299 0.530 0.627 0.940 0.651 CB 1.712 84 residues pruned to eliminate duplicates Z: 9 7.976 1.989 0.226 0.864 0.625 0.625 CA 1.356 9 residues pruned to eliminate duplicates Z: 39 25.709 2.110 0.634 0.438 0.868 0.632 CB 1.484 39 residues pruned to eliminate duplicates Z: 6 3.811 1.988 0.089 0.368 0.800 0.600 CB 1.134 6 residues pruned to eliminate duplicates Z: 22 48.222 2.235 1.002 0.850 1.000 0.762 CB 1.742 22 residues pruned to eliminate duplicates Z: 68 42.744 2.246 0.531 0.555 0.940 0.672 CB 1.532 68 residues pruned to eliminate duplicates Z: 61 52.441 2.252 0.664 0.654 0.917 0.617 CB 1.707 61 residues pruned to eliminate duplicates Z: 13 27.710 2.202 0.543 0.875 1.000 0.667 CB 1.713 13 residues pruned to eliminate duplicates Z: 9 14.693 2.151 0.247 0.886 1.000 1.000 CA 1.397 9 residues pruned to eliminate duplicates Z: 25 31.316 2.172 0.619 0.617 1.000 0.708 CB 1.627 25 residues pruned to eliminate duplicates Z: 76 51.387 2.150 0.733 0.614 0.920 0.600 CB 1.554 76 residues pruned to eliminate duplicates Z: 7 9.846 1.892 0.056 0.828 1.000 0.833 CB 1.516 7 residues pruned to eliminate duplicates Z: 8 18.512 2.326 0.641 0.575 1.000 1.000 C 1.705 8 residues pruned to eliminate duplicates Z: 7 11.562 2.004 0.709 0.660 0.833 0.667 C 1.425 7 residues pruned to eliminate duplicates Z: 84 54.067 2.226 0.598 0.623 0.928 0.639 CB 1.602 84 residues pruned to eliminate duplicates Z: 29 28.535 2.153 0.618 0.569 0.929 0.643 CB 1.560 29 residues pruned to eliminate duplicates Z: 25 36.251 2.158 0.897 0.714 0.917 0.667 CB 1.624 25 residues pruned to eliminate duplicates Z: 65 62.902 2.346 0.729 0.613 0.953 0.594 CB 1.828 65 residues pruned to eliminate duplicates Z: 43 45.523 2.351 0.727 0.606 0.929 0.619 CB 1.685 43 residues pruned to eliminate duplicates Z: 18 42.609 2.283 0.761 0.865 1.000 0.882 CB 1.883 18 residues pruned to eliminate duplicates Z: 20 13.645 2.001 0.131 0.549 0.947 0.842 CB 1.392 20 residues pruned to eliminate duplicates Z: 15 14.179 1.866 0.629 0.429 0.929 0.643 CB 1.445 Z: 16 16.444 2.007 0.688 0.375 0.933 0.467 CB 1.536 16 residues pruned to eliminate duplicates Z: 9 14.662 2.026 0.540 0.905 1.000 0.750 CB 1.183 9 residues pruned to eliminate duplicates Z: 13 32.446 2.257 0.658 0.932 1.000 0.917 CA 1.748 13 residues pruned to eliminate duplicates Z: 8 15.432 2.091 0.518 0.793 1.000 0.714 CB 1.420 8 residues pruned to eliminate duplicates Z: 18 24.431 2.118 0.501 0.668 1.000 0.647 CB 1.595 18 residues pruned to eliminate duplicates Z: 16 19.968 2.157 0.518 0.576 0.933 0.600 CB 1.568 16 residues pruned to eliminate duplicates Z: 16 16.687 2.040 0.885 0.424 0.867 0.533 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 11.481 2.096 -0.087 0.786 0.923 0.769 CB 1.401 14 residues pruned to eliminate duplicates Z: 17 45.176 2.334 1.017 0.855 1.000 0.688 CB 1.771 17 residues pruned to eliminate duplicates Z: 39 47.441 2.295 0.819 0.644 0.947 0.632 CB 1.701 39 residues pruned to eliminate duplicates Z: 11 24.850 2.218 0.476 0.917 1.000 0.700 CB 1.695 11 residues pruned to eliminate duplicates Z: 6 11.433 2.073 0.897 0.666 0.800 0.600 CB 1.395 6 residues pruned to eliminate duplicates Z: 34 21.968 2.102 0.318 0.551 0.909 0.636 CB 1.445 34 residues pruned to eliminate duplicates Z: 21 35.297 2.151 0.645 0.871 0.950 0.800 CB 1.712 21 residues pruned to eliminate duplicates Z: 18 42.658 2.320 0.852 0.880 1.000 0.824 CB 1.745 18 residues pruned to eliminate duplicates Z: 59 53.563 2.348 0.643 0.600 0.931 0.621 CB 1.779 59 residues pruned to eliminate duplicates Z: 24 27.950 2.110 0.751 0.601 0.913 0.696 CB 1.569 24 residues pruned to eliminate duplicates Z: 105 73.108 2.278 0.757 0.636 0.933 0.587 CB 1.691 105 residues pruned to eliminate duplicates Z: 9 14.310 1.926 0.669 0.903 1.000 0.500 CB 1.122 9 residues pruned to eliminate duplicates Z: 6 6.827 1.897 0.131 0.604 1.000 0.800 CB 1.289 6 residues pruned to eliminate duplicates Z: 14 15.354 2.001 0.216 0.840 0.923 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 13 23.247 2.347 0.660 0.553 0.917 0.750 CB 1.786 13 residues pruned to eliminate duplicates Z: 12 42.004 2.552 0.793 0.867 1.000 0.909 CB 2.025 12 residues pruned to eliminate duplicates Z: 8 13.605 2.242 0.564 0.391 1.000 0.714 CB 1.646 8 residues pruned to eliminate duplicates Z: 12 12.597 2.059 0.487 0.406 0.818 0.727 CB 1.674 14 residues pruned to eliminate duplicates Z: 10 6.917 1.599 0.409 0.563 0.778 0.667 C 1.238 10 residues pruned to eliminate duplicates Z: 16 6.792 1.983 0.370 0.353 0.733 0.533 CB 1.032 16 residues pruned to eliminate duplicates Z: 11 24.983 1.991 0.839 0.915 1.000 0.400 CB 1.525 11 residues pruned to eliminate duplicates Z: 27 39.908 2.296 0.976 0.672 0.923 0.769 CB 1.595 27 residues pruned to eliminate duplicates Z: 49 39.641 2.173 0.440 0.680 0.958 0.667 CB 1.616 49 residues pruned to eliminate duplicates Z: 83 48.831 2.245 0.581 0.530 0.927 0.573 CB 1.592 83 residues pruned to eliminate duplicates Z: 13 32.762 2.207 0.899 0.903 0.917 0.917 CB 1.754 13 residues pruned to eliminate duplicates Z: 22 39.152 2.227 0.735 0.803 0.952 0.667 CB 1.783 22 residues pruned to eliminate duplicates Z: 22 31.291 2.073 0.790 0.809 0.857 0.524 CB 1.640 22 residues pruned to eliminate duplicates Z: 54 39.512 2.213 0.676 0.535 0.887 0.566 CB 1.594 54 residues pruned to eliminate duplicates Z: 15 15.631 1.874 0.758 0.539 0.857 0.500 CA 1.423 15 residues pruned to eliminate duplicates Z: 12 11.075 2.114 0.771 0.251 0.727 0.273 CB 1.633 12 residues pruned to eliminate duplicates Z: 34 44.553 2.348 0.979 0.571 0.939 0.697 CB 1.659 34 residues pruned to eliminate duplicates Z: 13 16.474 2.006 0.162 0.909 1.000 0.833 CB 1.447 13 residues pruned to eliminate duplicates Z: 10 13.950 1.867 0.454 0.834 1.000 0.667 CB 1.284 10 residues pruned to eliminate duplicates Z: 86 74.403 2.341 0.787 0.652 0.918 0.682 CB 1.825 86 residues pruned to eliminate duplicates Z: 15 53.483 2.429 1.240 0.934 1.000 0.929 C 1.832 15 residues pruned to eliminate duplicates Z: 26 27.162 2.087 0.608 0.619 1.000 0.760 CB 1.446 26 residues pruned to eliminate duplicates Z: 8 12.827 2.034 0.382 0.893 1.000 0.857 CB 1.239 8 residues pruned to eliminate duplicates Z: 35 32.854 2.239 0.494 0.606 0.912 0.676 CB 1.671 35 residues pruned to eliminate duplicates Z: 24 25.655 2.121 0.702 0.660 0.913 0.696 CB 1.399 24 residues pruned to eliminate duplicates Z: 19 45.496 2.212 1.058 0.843 0.944 0.556 CB 1.858 19 residues pruned to eliminate duplicates Z: 9 2.562 1.236 0.819 0.342 0.625 0.500 C 0.765 Z: 29 18.313 2.079 0.422 0.437 0.929 0.607 CB 1.346 29 residues pruned to eliminate duplicates Z: 66 43.419 2.199 0.685 0.543 0.938 0.677 CB 1.485 66 residues pruned to eliminate duplicates Z: 22 39.888 2.207 0.816 0.825 0.905 0.667 CB 1.812 22 residues pruned to eliminate duplicates Z: 77 56.099 2.224 0.655 0.652 0.947 0.671 CB 1.602 77 residues pruned to eliminate duplicates Z: 26 28.421 2.221 0.572 0.524 0.920 0.800 CB 1.728 26 residues pruned to eliminate duplicates Z: 15 52.105 2.308 1.382 0.945 0.929 0.929 CA 1.887 15 residues pruned to eliminate duplicates Z: 27 36.662 2.359 0.701 0.526 0.962 0.731 CB 1.817 27 residues pruned to eliminate duplicates Z: 71 48.015 2.226 0.503 0.654 0.914 0.657 CB 1.626 71 residues pruned to eliminate duplicates Z: 20 37.666 2.276 0.742 0.885 0.895 0.684 CA 1.759 20 residues pruned to eliminate duplicates Z: 53 56.312 2.293 0.739 0.667 0.962 0.769 CB 1.745 53 residues pruned to eliminate duplicates Z: 38 41.196 2.213 0.703 0.719 0.919 0.811 CB 1.604 38 residues pruned to eliminate duplicates Z: 16 8.289 1.795 0.300 0.351 0.933 0.467 CB 1.154 16 residues pruned to eliminate duplicates Z: 14 11.878 2.045 0.489 0.479 0.846 0.538 CB 1.305 15 residues pruned to eliminate duplicates Z: 40 44.773 2.305 0.645 0.706 0.949 0.718 CB 1.653 40 residues pruned to eliminate duplicates 6 1.566 1.452 -0.059 0.293 0.800 0.400 CB 0.807 ? Z: 39 42.824 2.229 0.820 0.615 0.921 0.763 CB 1.668 39 residues pruned to eliminate duplicates Z: 13 16.943 1.989 0.654 0.470 0.917 0.750 CB 1.672 13 residues pruned to eliminate duplicates Z: 37 39.529 2.179 0.779 0.588 0.917 0.500 CB 1.703 37 residues pruned to eliminate duplicates Z: 7 6.335 1.788 0.061 0.707 0.833 0.667 CA 1.356 7 residues pruned to eliminate duplicates Z: 16 44.615 2.119 1.230 0.910 1.000 0.667 C 1.729 16 residues pruned to eliminate duplicates Z: 78 59.781 2.258 0.797 0.575 0.909 0.597 CB 1.719 78 residues pruned to eliminate duplicates Z: 7 3.704 1.617 0.580 0.465 0.833 0.500 CB 0.736 Z: 100 63.164 2.236 0.675 0.660 0.919 0.697 CB 1.589 100 residues pruned to eliminate duplicates Z: 51 60.267 2.392 0.735 0.659 0.940 0.660 CB 1.884 51 residues pruned to eliminate duplicates Z: 6 5.347 1.686 -0.243 0.760 1.000 0.800 N 1.487 Z: 14 40.974 2.222 1.063 0.932 1.000 0.615 CB 1.732 14 residues pruned to eliminate duplicates Z: 26 18.344 2.172 0.412 0.442 0.880 0.720 CB 1.442 26 residues pruned to eliminate duplicates Z: 9 26.679 2.255 1.125 0.670 1.000 0.750 CA 1.682 9 residues pruned to eliminate duplicates Z: 16 43.900 2.050 1.299 0.890 1.000 0.467 CA 1.730 16 residues pruned to eliminate duplicates Z: 6 8.702 1.752 1.131 0.645 0.800 0.800 C 1.138 6 residues pruned to eliminate duplicates Z: 95 61.716 2.316 0.556 0.608 0.936 0.660 CB 1.704 95 residues pruned to eliminate duplicates Z: 13 15.176 2.031 0.509 0.908 1.000 0.750 CB 1.016 13 residues pruned to eliminate duplicates Z: 72 70.389 2.392 0.760 0.643 0.944 0.662 CB 1.841 72 residues pruned to eliminate duplicates Z: 66 55.063 2.235 0.717 0.635 0.954 0.600 CB 1.645 66 residues pruned to eliminate duplicates Z: 27 29.568 2.236 0.409 0.636 0.962 0.731 CB 1.684 27 residues pruned to eliminate duplicates Z: 17 26.361 2.250 0.432 0.627 1.000 0.812 CB 1.815 17 residues pruned to eliminate duplicates Z: 48 50.100 2.290 0.794 0.631 0.915 0.745 CB 1.718 48 residues pruned to eliminate duplicates Z: 25 40.486 2.249 0.892 0.697 0.917 0.792 C 1.770 25 residues pruned to eliminate duplicates Z: 11 18.571 2.309 0.608 0.567 1.000 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 15 43.200 2.277 0.884 0.934 1.000 0.857 C 1.876 15 residues pruned to eliminate duplicates Z: 22 33.825 2.132 0.659 0.816 0.952 0.714 CB 1.664 22 residues pruned to eliminate duplicates Z: 47 39.518 2.204 0.587 0.585 0.978 0.696 CB 1.569 47 residues pruned to eliminate duplicates Z: 48 39.212 2.194 0.408 0.707 0.957 0.681 CB 1.602 48 residues pruned to eliminate duplicates Z: 13 29.411 2.066 0.993 0.900 0.917 0.917 CB 1.607 13 residues pruned to eliminate duplicates Z: 47 37.329 2.221 0.424 0.565 0.957 0.565 CB 1.709 47 residues pruned to eliminate duplicates Z: 28 26.552 2.030 0.524 0.684 0.963 0.815 CB 1.449 28 residues pruned to eliminate duplicates Z: 43 42.070 2.298 0.718 0.590 0.881 0.714 CB 1.712 43 residues pruned to eliminate duplicates Z: 32 39.010 2.230 0.905 0.635 0.935 0.548 CB 1.553 32 residues pruned to eliminate duplicates Z: 18 16.366 2.053 0.861 0.384 0.941 0.647 CB 1.249 18 residues pruned to eliminate duplicates Z: 70 39.539 2.111 0.568 0.560 0.899 0.638 CB 1.511 70 residues pruned to eliminate duplicates Z: 15 14.547 2.040 0.132 0.806 0.929 0.786 CB 1.388 15 residues pruned to eliminate duplicates Z: 7 5.781 1.948 0.081 0.525 0.833 0.500 CB 1.312 7 residues pruned to eliminate duplicates Z: 6 9.808 1.904 0.306 0.720 1.000 0.600 CB 1.445 6 residues pruned to eliminate duplicates Z: 12 12.442 2.135 0.007 0.756 0.909 0.818 CB 1.528 12 residues pruned to eliminate duplicates Z: 17 47.911 2.305 1.128 0.897 0.938 0.875 CB 1.864 17 residues pruned to eliminate duplicates Z: 13 20.381 2.036 0.322 0.925 1.000 1.000 CB 1.534 13 residues pruned to eliminate duplicates Z: 44 40.212 2.184 0.683 0.562 0.884 0.605 CB 1.778 44 residues pruned to eliminate duplicates Z: 75 48.273 2.191 0.614 0.618 0.892 0.541 CB 1.592 75 residues pruned to eliminate duplicates Z: 19 44.228 2.386 1.156 0.672 0.944 0.722 CA 1.831 19 residues pruned to eliminate duplicates Z: 17 52.996 2.412 1.091 0.899 1.000 0.875 CB 1.877 17 residues pruned to eliminate duplicates Z: 10 17.054 2.018 0.719 0.797 0.889 0.667 C 1.421 10 residues pruned to eliminate duplicates 8 1.888 1.520 0.261 0.287 0.714 0.429 CB 0.662 ? Z: 9 11.861 1.740 0.635 0.788 0.875 0.750 CB 1.307 9 residues pruned to eliminate duplicates Z: 13 24.430 2.188 0.715 0.621 1.000 0.750 CB 1.677 13 residues pruned to eliminate duplicates Z: 31 46.248 2.327 1.094 0.626 0.900 0.633 CB 1.710 31 residues pruned to eliminate duplicates Z: 24 30.189 2.111 0.790 0.634 1.000 0.783 CB 1.469 24 residues pruned to eliminate duplicates Z: 9 25.107 2.134 1.199 0.810 0.875 0.250 C 1.650 9 residues pruned to eliminate duplicates Z: 11 13.210 2.149 0.766 0.432 0.800 0.500 CB 1.475 11 residues pruned to eliminate duplicates Z: 9 20.401 2.404 0.957 0.485 0.875 0.875 CA 1.778 9 residues pruned to eliminate duplicates Z: 19 42.526 2.214 1.069 0.759 0.944 0.722 CA 1.840 19 residues pruned to eliminate duplicates Z: 10 16.982 1.966 0.363 0.854 1.000 0.778 CA 1.560 10 residues pruned to eliminate duplicates Z: 31 26.185 2.145 0.499 0.459 0.900 0.600 CB 1.722 31 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 8.285 1.978 0.305 0.369 0.933 0.533 CB 1.023 16 residues pruned to eliminate duplicates Z: 16 7.557 1.989 0.213 0.341 0.933 0.533 CB 1.030 16 residues pruned to eliminate duplicates Z: 15 10.411 1.999 0.716 0.372 0.857 0.643 CB 1.086 15 residues pruned to eliminate duplicates Z: 15 38.657 2.318 0.629 0.873 1.000 0.929 CB 1.993 14 residues pruned to eliminate duplicates Z: 16 42.545 2.180 1.053 0.920 1.000 0.867 C 1.729 16 residues pruned to eliminate duplicates Z: 15 47.159 2.334 1.020 0.911 1.000 0.929 C 1.894 15 residues pruned to eliminate duplicates Z: 28 38.454 2.298 0.729 0.646 0.889 0.667 CB 1.829 28 residues pruned to eliminate duplicates Z: 17 34.956 2.195 1.062 0.818 0.875 0.750 C 1.674 17 residues pruned to eliminate duplicates Z: 18 37.250 2.242 1.128 0.732 0.882 0.588 C 1.742 18 residues pruned to eliminate duplicates Z: 27 40.845 2.221 0.948 0.680 0.923 0.769 CB 1.700 27 residues pruned to eliminate duplicates Z: 100 69.670 2.323 0.647 0.659 0.899 0.646 CB 1.756 100 residues pruned to eliminate duplicates Z: 66 60.323 2.355 0.669 0.622 0.923 0.569 CB 1.838 66 residues pruned to eliminate duplicates Z: 100 74.917 2.348 0.624 0.658 0.949 0.667 CB 1.795 100 residues pruned to eliminate duplicates Z: 38 40.530 2.250 0.766 0.577 0.865 0.568 CB 1.801 38 residues pruned to eliminate duplicates Z: 99 74.637 2.340 0.693 0.648 0.939 0.612 CB 1.766 99 residues pruned to eliminate duplicates Z: 98 79.036 2.356 0.673 0.679 0.969 0.670 CB 1.781 98 residues pruned to eliminate duplicates Z: 64 65.534 2.373 0.778 0.627 0.937 0.651 CB 1.854 64 residues pruned to eliminate duplicates Z: 63 50.941 2.318 0.646 0.550 0.903 0.581 CB 1.787 63 residues pruned to eliminate duplicates Z: 98 75.196 2.344 0.712 0.660 0.928 0.660 CB 1.767 98 residues pruned to eliminate duplicates Z: 100 71.660 2.333 0.657 0.638 0.929 0.667 CB 1.763 100 residues pruned to eliminate duplicates Z: 47 46.161 2.368 0.560 0.570 0.957 0.565 CB 1.800 47 residues pruned to eliminate duplicates Z: 88 62.934 2.307 0.623 0.619 0.931 0.632 CB 1.730 88 residues pruned to eliminate duplicates Z: 35 34.465 2.303 0.462 0.550 0.941 0.618 CB 1.776 35 residues pruned to eliminate duplicates Z: 100 79.153 2.308 0.734 0.666 0.960 0.626 CB 1.776 100 residues pruned to eliminate duplicates Z: 60 62.646 2.339 0.691 0.644 0.966 0.678 CB 1.866 60 residues pruned to eliminate duplicates Z: 62 56.443 2.331 0.602 0.597 0.951 0.557 CB 1.857 62 residues pruned to eliminate duplicates Z: 113 70.203 2.285 0.648 0.599 0.911 0.616 CB 1.760 97 residues pruned to eliminate duplicates Z: 6 7.883 1.984 0.319 0.437 1.000 0.400 C 1.439 6 residues pruned to eliminate duplicates Z: 96 61.548 2.297 0.604 0.600 0.916 0.653 CB 1.701 96 residues pruned to eliminate duplicates Z: 50 37.925 2.291 0.407 0.568 0.878 0.592 CB 1.793 50 residues pruned to eliminate duplicates Z: 100 70.105 2.298 0.707 0.659 0.909 0.646 CB 1.704 100 residues pruned to eliminate duplicates Z: 92 62.001 2.308 0.552 0.608 0.934 0.648 CB 1.753 92 residues pruned to eliminate duplicates Z: 110 70.463 2.306 0.673 0.600 0.927 0.651 CB 1.716 110 residues pruned to eliminate duplicates Z: 51 41.010 2.282 0.493 0.559 0.920 0.640 CB 1.748 51 residues pruned to eliminate duplicates Z: 118 68.920 2.256 0.717 0.579 0.923 0.607 CB 1.652 118 residues pruned to eliminate duplicates Z: 97 63.742 2.272 0.603 0.593 0.938 0.583 CB 1.743 97 residues pruned to eliminate duplicates Z: 62 62.026 2.388 0.625 0.635 0.951 0.656 CB 1.895 62 residues pruned to eliminate duplicates Z: 87 59.894 2.305 0.610 0.630 0.895 0.651 CB 1.720 87 residues pruned to eliminate duplicates Z: 67 51.888 2.261 0.679 0.572 0.894 0.561 CB 1.755 67 residues pruned to eliminate duplicates Z: 99 66.587 2.321 0.596 0.632 0.888 0.684 CB 1.808 99 residues pruned to eliminate duplicates Z: 100 73.854 2.323 0.676 0.654 0.949 0.677 CB 1.740 100 residues pruned to eliminate duplicates Z: 62 53.147 2.331 0.592 0.606 0.934 0.525 CB 1.774 62 residues pruned to eliminate duplicates Z: 86 64.560 2.333 0.615 0.624 0.953 0.671 CB 1.735 86 residues pruned to eliminate duplicates Z: 73 59.115 2.352 0.575 0.609 0.944 0.625 CB 1.797 73 residues pruned to eliminate duplicates Z: 47 47.319 2.379 0.594 0.595 0.935 0.522 CB 1.797 47 residues pruned to eliminate duplicates Z: 99 75.464 2.306 0.706 0.663 0.939 0.663 CB 1.775 99 residues pruned to eliminate duplicates Z: 74 58.945 2.322 0.609 0.600 0.945 0.644 CB 1.776 74 residues pruned to eliminate duplicates Z: 94 63.193 2.296 0.645 0.584 0.935 0.581 CB 1.711 94 residues pruned to eliminate duplicates Z: 87 65.250 2.330 0.635 0.639 0.942 0.651 CB 1.722 87 residues pruned to eliminate duplicates Z: 140 81.157 2.299 0.647 0.617 0.935 0.633 CB 1.740 36 residues pruned to eliminate duplicates Z: 20 36.973 2.315 0.593 0.851 0.947 0.737 CA 1.797 20 residues pruned to eliminate duplicates Z: 103 62.987 2.275 0.624 0.570 0.941 0.647 CB 1.676 93 residues pruned to eliminate duplicates Z: 13 21.451 2.115 0.646 0.730 0.917 0.500 CB 1.578 13 residues pruned to eliminate duplicates Z: 74 64.175 2.338 0.598 0.650 0.959 0.658 CB 1.822 74 residues pruned to eliminate duplicates Z: 53 44.499 2.314 0.540 0.539 0.923 0.538 CB 1.806 53 residues pruned to eliminate duplicates Z: 97 65.314 2.325 0.592 0.608 0.948 0.635 CB 1.714 97 residues pruned to eliminate duplicates Z: 53 56.018 2.324 0.795 0.690 0.942 0.654 CB 1.660 53 residues pruned to eliminate duplicates Z: 100 62.506 2.291 0.637 0.578 0.909 0.596 CB 1.709 100 residues pruned to eliminate duplicates Z: 65 52.236 2.306 0.690 0.603 0.922 0.656 CB 1.648 65 residues pruned to eliminate duplicates Z: 99 77.018 2.350 0.647 0.670 0.959 0.704 CB 1.791 99 residues pruned to eliminate duplicates Z: 99 75.355 2.350 0.649 0.664 0.959 0.704 CB 1.759 99 residues pruned to eliminate duplicates Z: 116 66.796 2.284 0.570 0.598 0.939 0.678 CB 1.685 115 residues pruned to eliminate duplicates Z: 14 33.243 2.368 0.809 0.782 0.923 0.846 CB 1.818 14 residues pruned to eliminate duplicates Z: 104 77.331 2.340 0.715 0.651 0.942 0.748 CB 1.751 104 residues pruned to eliminate duplicates Z: 105 60.467 2.256 0.623 0.561 0.952 0.587 CB 1.603 106 residues pruned to eliminate duplicates Z: 13 37.922 2.278 1.025 0.864 1.000 0.667 CB 1.740 13 residues pruned to eliminate duplicates Z: 108 61.185 2.258 0.604 0.554 0.944 0.636 CB 1.642 113 residues pruned to eliminate duplicates Z: 14 33.831 2.109 1.102 0.894 0.923 0.692 C 1.645 14 residues pruned to eliminate duplicates Z: 94 57.454 2.264 0.562 0.596 0.925 0.688 CB 1.662 94 residues pruned to eliminate duplicates Z: 84 65.409 2.344 0.649 0.654 0.916 0.651 CB 1.757 84 residues pruned to eliminate duplicates Z: 103 62.839 2.290 0.606 0.590 0.931 0.618 CB 1.667 103 residues pruned to eliminate duplicates Z: 83 60.760 2.285 0.688 0.622 0.915 0.610 CB 1.695 83 residues pruned to eliminate duplicates Z: 36 46.060 2.211 0.948 0.746 0.943 0.743 CB 1.538 36 residues pruned to eliminate duplicates Z: 97 72.433 2.331 0.727 0.665 0.906 0.594 CB 1.739 97 residues pruned to eliminate duplicates Z: 97 75.605 2.332 0.709 0.657 0.938 0.708 CB 1.785 97 residues pruned to eliminate duplicates Z: 99 69.974 2.310 0.669 0.658 0.918 0.653 CB 1.723 99 residues pruned to eliminate duplicates Z: 110 74.698 2.310 0.736 0.610 0.927 0.661 CB 1.734 110 residues pruned to eliminate duplicates Z: 6 4.419 1.614 0.352 0.396 1.000 0.600 CB 1.011 6 residues pruned to eliminate duplicates Z: 99 50.503 2.218 0.502 0.547 0.918 0.622 CB 1.593 95 residues pruned to eliminate duplicates Z: 7 11.006 1.701 0.987 0.555 1.000 0.667 N 1.260 Z: 7 4.196 1.472 0.392 0.306 0.833 0.500 N 1.244 7 residues pruned to eliminate duplicates Z: 146 83.081 2.316 0.759 0.594 0.897 0.621 CB 1.726 153 residues pruned to eliminate duplicates Z: 98 71.257 2.316 0.652 0.665 0.918 0.732 CB 1.769 98 residues pruned to eliminate duplicates Z: 106 59.899 2.256 0.568 0.574 0.933 0.657 CB 1.649 106 residues pruned to eliminate duplicates Z: 24 22.934 2.138 0.596 0.564 0.913 0.652 CB 1.442 24 residues pruned to eliminate duplicates Z: 117 72.008 2.303 0.642 0.622 0.931 0.672 CB 1.692 117 residues pruned to eliminate duplicates Z: 85 65.745 2.322 0.615 0.649 0.952 0.667 CB 1.748 85 residues pruned to eliminate duplicates Z: 94 60.650 2.292 0.592 0.594 0.935 0.720 CB 1.685 94 residues pruned to eliminate duplicates Z: 105 64.481 2.290 0.590 0.588 0.942 0.673 CB 1.694 105 residues pruned to eliminate duplicates Z: 147 78.961 2.321 0.634 0.578 0.938 0.699 CB 1.704 102 residues pruned to eliminate duplicates Z: 12 13.492 1.960 0.049 0.911 1.000 0.909 CB 1.403 12 residues pruned to eliminate duplicates Z: 29 24.456 2.131 0.438 0.589 0.929 0.643 CB 1.492 29 residues pruned to eliminate duplicates Z: 139 83.672 2.319 0.752 0.603 0.899 0.616 CB 1.769 115 residues pruned to eliminate duplicates Z: 15 16.805 1.876 0.157 0.912 1.000 0.643 CB 1.466 15 residues pruned to eliminate duplicates Z: 26 24.262 2.171 0.398 0.644 0.920 0.640 CB 1.519 26 residues pruned to eliminate duplicates Z: 37 28.358 2.128 0.556 0.523 0.917 0.639 CB 1.523 37 residues pruned to eliminate duplicates Z: 21 19.651 2.172 0.448 0.507 0.950 0.550 CB 1.461 21 residues pruned to eliminate duplicates Z: 40 29.234 2.193 0.502 0.512 0.949 0.718 CB 1.480 40 residues pruned to eliminate duplicates Z: 102 59.766 2.287 0.532 0.579 0.950 0.644 CB 1.655 102 residues pruned to eliminate duplicates Z: 26 18.151 2.124 0.490 0.483 0.840 0.560 CB 1.389 26 residues pruned to eliminate duplicates Z: 55 36.155 2.117 0.662 0.561 0.889 0.574 CB 1.483 55 residues pruned to eliminate duplicates Z: 53 44.230 2.237 0.691 0.593 0.962 0.654 CB 1.543 53 residues pruned to eliminate duplicates Z: 20 13.430 2.024 0.641 0.279 0.947 0.421 CB 1.256 20 residues pruned to eliminate duplicates Z: 11 11.274 2.078 0.783 0.324 0.800 0.500 CB 1.460 11 residues pruned to eliminate duplicates Z: 102 63.593 2.318 0.599 0.591 0.950 0.663 CB 1.646 102 residues pruned to eliminate duplicates Z: 17 12.048 1.998 0.550 0.263 0.938 0.438 CB 1.360 17 residues pruned to eliminate duplicates Z: 34 20.466 2.134 0.737 0.321 0.848 0.455 CB 1.379 34 residues pruned to eliminate duplicates Z: 53 42.783 2.244 0.730 0.604 0.904 0.712 CB 1.532 53 residues pruned to eliminate duplicates Z: 108 59.470 2.208 0.637 0.575 0.907 0.617 CB 1.633 108 residues pruned to eliminate duplicates Z: 42 27.725 2.140 0.449 0.513 0.927 0.683 CB 1.487 42 residues pruned to eliminate duplicates Z: 8 5.248 1.400 0.940 0.608 0.857 0.571 CB 0.769 8 residues pruned to eliminate duplicates Z: 19 10.290 1.965 0.652 0.310 0.778 0.444 CB 1.187 19 residues pruned to eliminate duplicates Z: 10 7.787 1.646 0.618 0.447 1.000 0.444 CB 1.029 10 residues pruned to eliminate duplicates Z: 74 45.996 2.225 0.419 0.604 0.973 0.753 CB 1.589 74 residues pruned to eliminate duplicates Z: 46 43.175 2.283 0.551 0.616 1.000 0.667 CB 1.628 46 residues pruned to eliminate duplicates Z: 43 25.070 2.144 0.554 0.483 0.905 0.643 CB 1.305 43 residues pruned to eliminate duplicates Z: 46 45.323 2.270 0.616 0.627 1.000 0.778 CB 1.635 46 residues pruned to eliminate duplicates Z: 51 27.131 2.083 0.438 0.534 0.860 0.620 CB 1.440 51 residues pruned to eliminate duplicates Z: 55 48.337 2.248 0.672 0.627 0.944 0.759 CB 1.644 55 residues pruned to eliminate duplicates Z: 46 48.989 2.268 0.758 0.624 1.000 0.667 CB 1.629 46 residues pruned to eliminate duplicates Z: 54 42.397 2.176 0.689 0.580 0.906 0.698 CB 1.621 54 residues pruned to eliminate duplicates Z: 46 45.064 2.253 0.698 0.624 0.978 0.644 CB 1.598 46 residues pruned to eliminate duplicates Z: 45 47.423 2.293 0.676 0.625 0.977 0.705 CB 1.693 45 residues pruned to eliminate duplicates Z: 102 67.594 2.231 0.725 0.633 0.950 0.653 CB 1.623 114 residues pruned to eliminate duplicates Z: 14 29.371 2.022 0.715 0.862 1.000 0.615 CB 1.725 14 residues pruned to eliminate duplicates Z: 57 45.102 2.220 0.673 0.599 0.929 0.661 CB 1.591 57 residues pruned to eliminate duplicates Z: 58 41.314 2.196 0.568 0.587 0.930 0.632 CB 1.572 58 residues pruned to eliminate duplicates Z: 46 48.789 2.266 0.717 0.625 1.000 0.778 CB 1.661 46 residues pruned to eliminate duplicates Z: 46 43.750 2.269 0.637 0.609 0.978 0.578 CB 1.620 46 residues pruned to eliminate duplicates Z: 45 43.319 2.225 0.732 0.606 0.955 0.659 CB 1.606 45 residues pruned to eliminate duplicates Z: 45 45.091 2.286 0.610 0.598 1.000 0.682 CB 1.682 45 residues pruned to eliminate duplicates Z: 30 31.975 2.183 0.691 0.567 1.000 0.655 CB 1.507 30 residues pruned to eliminate duplicates Z: 47 42.654 2.234 0.624 0.596 1.000 0.696 CB 1.581 47 residues pruned to eliminate duplicates Z: 57 47.578 2.184 0.766 0.607 0.964 0.661 CB 1.544 57 residues pruned to eliminate duplicates Z: 44 49.592 2.302 0.714 0.641 1.000 0.698 CB 1.681 44 residues pruned to eliminate duplicates Z: 56 49.727 2.271 0.693 0.612 0.964 0.727 CB 1.628 56 residues pruned to eliminate duplicates Z: 46 44.924 2.272 0.668 0.622 0.956 0.756 CB 1.649 46 residues pruned to eliminate duplicates Z: 57 42.846 2.229 0.652 0.608 0.911 0.732 CB 1.541 57 residues pruned to eliminate duplicates Z: 45 47.672 2.274 0.704 0.617 1.000 0.705 CB 1.660 45 residues pruned to eliminate duplicates Z: 69 51.086 2.189 0.706 0.628 0.941 0.676 CB 1.563 69 residues pruned to eliminate duplicates Z: 45 42.926 2.296 0.582 0.624 0.977 0.795 CB 1.622 45 residues pruned to eliminate duplicates Z: 45 49.667 2.293 0.783 0.625 0.977 0.682 CB 1.667 45 residues pruned to eliminate duplicates Z: 45 47.151 2.246 0.778 0.621 0.955 0.727 CB 1.663 45 residues pruned to eliminate duplicates Z: 46 49.891 2.286 0.755 0.624 1.000 0.733 CB 1.650 46 residues pruned to eliminate duplicates Z: 75 46.389 2.205 0.529 0.579 0.959 0.730 CB 1.544 75 residues pruned to eliminate duplicates Z: 46 47.686 2.272 0.749 0.604 1.000 0.756 CB 1.621 46 residues pruned to eliminate duplicates Z: 45 48.328 2.300 0.703 0.617 1.000 0.727 CB 1.664 45 residues pruned to eliminate duplicates Z: 56 47.866 2.210 0.731 0.601 0.945 0.618 CB 1.621 56 residues pruned to eliminate duplicates Z: 44 45.811 2.280 0.660 0.635 0.977 0.814 CB 1.664 44 residues pruned to eliminate duplicates Z: 46 44.028 2.269 0.606 0.593 1.000 0.689 CB 1.647 46 residues pruned to eliminate duplicates Z: 46 48.813 2.275 0.759 0.605 0.978 0.667 CB 1.683 46 residues pruned to eliminate duplicates Z: 45 47.683 2.277 0.797 0.607 0.955 0.750 CB 1.663 45 residues pruned to eliminate duplicates Z: 45 46.754 2.292 0.696 0.613 0.977 0.773 CB 1.666 45 residues pruned to eliminate duplicates Z: 75 44.059 2.188 0.496 0.583 0.959 0.757 CB 1.506 75 residues pruned to eliminate duplicates Z: 48 40.689 2.236 0.645 0.575 0.915 0.681 CB 1.640 48 residues pruned to eliminate duplicates Z: 12 12.609 2.080 0.772 0.433 0.818 0.636 CB 1.352 12 residues pruned to eliminate duplicates Z: 58 42.713 2.217 0.621 0.588 0.930 0.702 CB 1.557 58 residues pruned to eliminate duplicates Z: 74 47.771 2.207 0.596 0.589 0.945 0.740 CB 1.542 74 residues pruned to eliminate duplicates Z: 73 44.457 2.215 0.534 0.597 0.944 0.736 CB 1.489 73 residues pruned to eliminate duplicates Z: 74 45.241 2.195 0.572 0.584 0.932 0.644 CB 1.519 74 residues pruned to eliminate duplicates Z: 98 51.968 2.156 0.638 0.584 0.928 0.670 CB 1.484 98 residues pruned to eliminate duplicates Z: 19 16.682 2.094 0.489 0.523 0.889 0.556 CB 1.386 19 residues pruned to eliminate duplicates Z: 60 36.026 2.167 0.654 0.543 0.898 0.644 CB 1.396 60 residues pruned to eliminate duplicates Z: 31 17.690 2.026 0.292 0.535 0.900 0.700 CB 1.325 31 residues pruned to eliminate duplicates Z: 58 49.458 2.242 0.787 0.599 0.947 0.684 CB 1.570 58 residues pruned to eliminate duplicates Z: 22 22.478 2.063 0.971 0.509 0.810 0.571 CB 1.477 22 residues pruned to eliminate duplicates Z: 75 47.493 2.186 0.611 0.592 0.946 0.716 CB 1.518 75 residues pruned to eliminate duplicates Z: 73 42.953 2.184 0.555 0.572 0.931 0.681 CB 1.494 73 residues pruned to eliminate duplicates Z: 74 49.936 2.223 0.594 0.592 0.973 0.740 CB 1.553 74 residues pruned to eliminate duplicates Z: 37 24.493 2.128 0.432 0.541 0.917 0.750 CB 1.404 37 residues pruned to eliminate duplicates Z: 74 45.233 2.206 0.564 0.582 0.945 0.685 CB 1.501 74 residues pruned to eliminate duplicates Z: 38 20.526 1.976 0.459 0.466 0.865 0.703 CB 1.401 38 residues pruned to eliminate duplicates Z: 73 43.866 2.186 0.557 0.571 0.917 0.681 CB 1.547 73 residues pruned to eliminate duplicates Z: 19 12.507 2.007 0.120 0.557 1.000 0.778 CB 1.241 19 residues pruned to eliminate duplicates Z: 75 48.936 2.202 0.580 0.602 0.973 0.757 CB 1.526 75 residues pruned to eliminate duplicates Z: 11 11.684 2.199 -0.186 0.824 1.000 1.000 CB 1.560 11 residues pruned to eliminate duplicates Z: 75 49.780 2.213 0.643 0.587 0.959 0.730 CB 1.526 75 residues pruned to eliminate duplicates Z: 99 47.474 2.163 0.557 0.580 0.918 0.684 CB 1.436 99 residues pruned to eliminate duplicates Z: 72 49.055 2.212 0.748 0.598 0.915 0.704 CB 1.498 72 residues pruned to eliminate duplicates Z: 74 46.524 2.194 0.685 0.582 0.918 0.699 CB 1.483 74 residues pruned to eliminate duplicates Z: 74 48.582 2.200 0.679 0.587 0.959 0.671 CB 1.476 74 residues pruned to eliminate duplicates Z: 29 18.850 1.960 0.328 0.586 0.929 0.714 CB 1.357 29 residues pruned to eliminate duplicates Z: 28 23.586 2.117 0.470 0.613 0.963 0.815 CB 1.361 29 residues pruned to eliminate duplicates Z: 10 24.301 2.238 0.574 0.929 1.000 0.889 CB 1.610 10 residues pruned to eliminate duplicates Z: 28 24.437 2.114 0.530 0.622 0.963 0.815 CB 1.346 28 residues pruned to eliminate duplicates Z: 88 56.521 2.306 0.639 0.522 0.954 0.632 CB 1.645 88 residues pruned to eliminate duplicates Z: 46 52.258 2.392 0.796 0.574 0.956 0.711 CB 1.766 46 residues pruned to eliminate duplicates Z: 47 48.641 2.385 0.742 0.565 0.935 0.674 CB 1.734 47 residues pruned to eliminate duplicates Z: 43 50.017 2.389 0.749 0.588 0.952 0.619 CB 1.783 43 residues pruned to eliminate duplicates Z: 46 54.833 2.412 0.776 0.599 1.000 0.711 CB 1.737 46 residues pruned to eliminate duplicates Z: 61 38.167 2.263 0.633 0.454 0.883 0.550 CB 1.582 61 residues pruned to eliminate duplicates Z: 63 45.628 2.305 0.734 0.477 0.935 0.677 CB 1.586 63 residues pruned to eliminate duplicates Z: 47 54.730 2.351 0.913 0.582 0.978 0.674 CB 1.695 47 residues pruned to eliminate duplicates Z: 46 44.812 2.368 0.634 0.590 0.933 0.644 CB 1.698 46 residues pruned to eliminate duplicates Z: 161 87.761 2.334 0.710 0.588 0.944 0.650 CB 1.693 161 residues pruned to eliminate duplicates Z: 162 76.877 2.296 0.661 0.566 0.919 0.640 CB 1.622 162 residues pruned to eliminate duplicates Z: 46 48.037 2.393 0.707 0.574 0.956 0.667 CB 1.708 46 residues pruned to eliminate duplicates Z: 46 51.692 2.422 0.736 0.579 0.956 0.711 CB 1.778 46 residues pruned to eliminate duplicates Z: 28 50.670 2.529 0.959 0.616 0.926 0.778 CB 1.905 28 residues pruned to eliminate duplicates Z: 75 60.918 2.359 0.737 0.582 0.932 0.716 CB 1.713 75 residues pruned to eliminate duplicates Z: 75 62.129 2.372 0.748 0.573 0.946 0.716 CB 1.716 75 residues pruned to eliminate duplicates Z: 47 46.527 2.402 0.670 0.558 0.935 0.674 CB 1.729 47 residues pruned to eliminate duplicates Z: 74 57.915 2.325 0.617 0.606 0.959 0.685 CB 1.701 74 residues pruned to eliminate duplicates Z: 86 52.121 2.240 0.715 0.515 0.953 0.671 CB 1.522 86 residues pruned to eliminate duplicates Z: 76 52.761 2.323 0.598 0.558 0.933 0.680 CB 1.662 76 residues pruned to eliminate duplicates Z: 78 43.762 2.229 0.591 0.493 0.909 0.623 CB 1.557 78 residues pruned to eliminate duplicates Z: 46 44.192 2.350 0.560 0.605 0.956 0.756 CB 1.703 46 residues pruned to eliminate duplicates Z: 74 58.585 2.353 0.635 0.579 0.973 0.767 CB 1.699 74 residues pruned to eliminate duplicates Z: 65 41.300 2.260 0.635 0.460 0.922 0.625 CB 1.578 65 residues pruned to eliminate duplicates Z: 56 45.915 2.320 0.633 0.503 0.945 0.673 CB 1.724 56 residues pruned to eliminate duplicates Z: 47 47.953 2.355 0.715 0.546 0.957 0.543 CB 1.750 47 residues pruned to eliminate duplicates Z: 79 51.884 2.307 0.634 0.557 0.910 0.692 CB 1.619 79 residues pruned to eliminate duplicates Z: 80 54.607 2.347 0.634 0.550 0.924 0.658 CB 1.651 80 residues pruned to eliminate duplicates Z: 14 43.148 2.335 1.099 0.885 1.000 0.846 CB 1.763 14 residues pruned to eliminate duplicates Z: 63 41.404 2.264 0.673 0.436 0.919 0.597 CB 1.613 63 residues pruned to eliminate duplicates Z: 64 50.998 2.326 0.667 0.521 0.952 0.667 CB 1.705 64 residues pruned to eliminate duplicates Z: 18 48.271 2.497 1.149 0.643 0.941 0.647 C 2.029 18 residues pruned to eliminate duplicates Z: 74 62.729 2.377 0.710 0.564 0.959 0.685 CB 1.770 74 residues pruned to eliminate duplicates Z: 64 44.000 2.278 0.756 0.464 0.921 0.587 CB 1.562 64 residues pruned to eliminate duplicates Z: 60 44.954 2.304 0.783 0.459 0.949 0.610 CB 1.565 60 residues pruned to eliminate duplicates Z: 74 63.115 2.352 0.763 0.568 0.959 0.658 CB 1.740 74 residues pruned to eliminate duplicates Z: 51 50.456 2.348 0.812 0.548 0.940 0.600 CB 1.702 51 residues pruned to eliminate duplicates Z: 34 52.114 2.404 1.059 0.555 0.970 0.667 CB 1.791 34 residues pruned to eliminate duplicates Z: 74 64.665 2.373 0.783 0.585 0.959 0.671 CB 1.719 74 residues pruned to eliminate duplicates Z: 47 49.710 2.402 0.726 0.582 0.957 0.674 CB 1.709 47 residues pruned to eliminate duplicates Z: 11 9.850 2.155 0.401 0.459 0.800 0.500 CB 1.344 11 residues pruned to eliminate duplicates Z: 44 58.977 2.432 0.884 0.625 0.953 0.651 CB 1.830 44 residues pruned to eliminate duplicates Z: 37 32.630 2.281 0.532 0.572 0.889 0.722 CB 1.633 37 residues pruned to eliminate duplicates Z: 39 30.365 2.197 0.569 0.509 0.895 0.632 CB 1.583 39 residues pruned to eliminate duplicates Z: 21 25.888 2.326 0.668 0.556 0.900 0.650 CB 1.569 21 residues pruned to eliminate duplicates Z: 30 28.847 2.231 0.492 0.581 0.897 0.759 CB 1.660 30 residues pruned to eliminate duplicates Z: 21 28.337 2.435 0.828 0.528 0.850 0.500 CB 1.630 21 residues pruned to eliminate duplicates Z: 74 59.786 2.355 0.784 0.576 0.932 0.644 CB 1.662 74 residues pruned to eliminate duplicates Z: 74 60.451 2.347 0.748 0.578 0.945 0.726 CB 1.692 74 residues pruned to eliminate duplicates Z: 30 27.595 2.203 0.479 0.534 0.931 0.655 CB 1.633 30 residues pruned to eliminate duplicates Z: 74 58.449 2.347 0.723 0.581 0.932 0.699 CB 1.679 74 residues pruned to eliminate duplicates Z: 38 35.668 2.294 0.635 0.508 0.919 0.649 CB 1.689 38 residues pruned to eliminate duplicates Z: 64 56.437 2.349 0.804 0.568 0.921 0.714 CB 1.707 64 residues pruned to eliminate duplicates Z: 59 57.154 2.347 0.879 0.562 0.931 0.724 CB 1.721 59 residues pruned to eliminate duplicates Z: 77 57.053 2.304 0.764 0.557 0.908 0.645 CB 1.677 77 residues pruned to eliminate duplicates Z: 35 37.117 2.305 0.588 0.566 0.941 0.735 CB 1.733 35 residues pruned to eliminate duplicates Z: 29 29.744 2.302 0.417 0.583 0.929 0.857 CB 1.713 29 residues pruned to eliminate duplicates Z: 60 52.802 2.307 0.852 0.548 0.932 0.678 CB 1.646 60 residues pruned to eliminate duplicates Z: 35 38.933 2.367 0.635 0.581 0.941 0.794 CB 1.695 35 residues pruned to eliminate duplicates Z: 74 65.314 2.366 0.807 0.591 0.932 0.726 CB 1.760 74 residues pruned to eliminate duplicates Z: 29 34.058 2.253 0.699 0.582 0.929 0.750 CB 1.674 29 residues pruned to eliminate duplicates Z: 28 30.074 2.220 0.537 0.567 0.926 0.667 CB 1.717 28 residues pruned to eliminate duplicates Z: 35 36.148 2.322 0.731 0.537 0.882 0.647 CB 1.686 35 residues pruned to eliminate duplicates Z: 29 37.090 2.278 0.849 0.562 0.929 0.679 CB 1.687 29 residues pruned to eliminate duplicates Z: 11 26.316 2.183 0.629 0.905 1.000 0.800 CB 1.666 11 residues pruned to eliminate duplicates Z: 58 39.178 2.232 0.642 0.531 0.860 0.649 CB 1.597 58 residues pruned to eliminate duplicates Z: 21 25.102 2.082 0.779 0.543 0.900 0.600 C 1.614 21 residues pruned to eliminate duplicates Z: 35 34.153 2.298 0.772 0.476 0.882 0.588 CB 1.669 35 residues pruned to eliminate duplicates Z: 35 36.559 2.263 0.827 0.513 0.882 0.647 CB 1.698 35 residues pruned to eliminate duplicates Z: 120 80.912 2.345 0.885 0.563 0.933 0.580 CB 1.692 74 residues pruned to eliminate duplicates Z: 6 9.435 2.092 0.612 0.429 1.000 0.800 CA 1.347 6 residues pruned to eliminate duplicates Z: 9 11.313 2.336 0.348 0.454 0.750 0.375 CB 1.776 9 residues pruned to eliminate duplicates Z: 82 60.753 2.337 0.795 0.537 0.914 0.630 CB 1.698 82 residues pruned to eliminate duplicates Z: 44 38.324 2.274 0.684 0.504 0.907 0.698 CB 1.677 44 residues pruned to eliminate duplicates Z: 194 87.898 2.299 0.715 0.563 0.917 0.632 CB 1.646 194 residues pruned to eliminate duplicates Z: 44 44.141 2.252 0.643 0.602 0.930 0.535 CB 1.774 44 residues pruned to eliminate duplicates Z: 7 3.654 1.718 0.689 0.398 0.500 0.500 CA 1.145 7 residues pruned to eliminate duplicates Z: 95 68.779 2.344 0.689 0.551 0.936 0.617 CB 1.820 65 residues pruned to eliminate duplicates Z: 22 47.523 2.312 0.912 0.792 1.000 0.857 CB 1.817 22 residues pruned to eliminate duplicates Z: 40 41.951 2.327 0.657 0.603 0.897 0.615 CB 1.759 40 residues pruned to eliminate duplicates Z: 49 47.094 2.210 0.900 0.594 0.938 0.667 CB 1.579 56 residues pruned to eliminate duplicates Z: 38 44.246 2.299 0.772 0.602 0.892 0.595 CB 1.816 38 residues pruned to eliminate duplicates Z: 41 46.835 2.323 0.803 0.592 0.925 0.550 CB 1.750 41 residues pruned to eliminate duplicates Z: 17 44.534 2.409 0.828 0.915 1.000 0.938 C 1.786 17 residues pruned to eliminate duplicates Z: 41 46.197 2.319 0.817 0.570 0.925 0.625 CB 1.752 41 residues pruned to eliminate duplicates Z: 42 46.807 2.323 0.803 0.576 0.951 0.610 CB 1.705 42 residues pruned to eliminate duplicates Z: 17 46.294 2.411 0.783 0.931 1.000 1.000 C 1.881 17 residues pruned to eliminate duplicates Z: 39 47.292 2.354 0.892 0.614 0.895 0.553 CB 1.728 39 residues pruned to eliminate duplicates Z: 43 41.591 2.352 0.696 0.549 0.905 0.595 CB 1.695 43 residues pruned to eliminate duplicates Z: 81 63.487 2.363 0.779 0.546 0.925 0.663 CB 1.746 81 residues pruned to eliminate duplicates Z: 19 38.118 2.221 0.713 0.862 1.000 0.889 CB 1.734 19 residues pruned to eliminate duplicates Z: 43 47.846 2.348 0.833 0.579 0.881 0.595 CB 1.804 43 residues pruned to eliminate duplicates Z: 39 54.940 2.389 1.000 0.618 0.947 0.579 CB 1.761 39 residues pruned to eliminate duplicates Z: 42 46.289 2.329 0.807 0.580 0.927 0.610 CB 1.716 42 residues pruned to eliminate duplicates Z: 39 50.079 2.339 0.934 0.629 0.895 0.658 CB 1.778 39 residues pruned to eliminate duplicates Z: 40 47.874 2.346 0.839 0.584 0.923 0.513 CB 1.776 40 residues pruned to eliminate duplicates Z: 43 48.184 2.293 0.851 0.564 0.929 0.595 CB 1.773 43 residues pruned to eliminate duplicates Z: 41 49.205 2.367 0.899 0.583 0.900 0.625 CB 1.776 41 residues pruned to eliminate duplicates Z: 12 9.837 2.127 0.056 0.551 0.818 0.455 CA 1.536 12 residues pruned to eliminate duplicates Z: 15 19.362 2.218 0.400 0.546 0.929 0.357 CA 1.716 15 residues pruned to eliminate duplicates Z: 8 13.745 2.213 0.588 0.785 0.714 0.429 CA 1.610 Z: 16 24.821 2.197 0.772 0.514 0.933 0.333 CB 1.740 24 residues pruned to eliminate duplicates Z: 42 50.751 2.382 0.891 0.575 0.927 0.610 CB 1.766 42 residues pruned to eliminate duplicates Z: 43 47.220 2.292 0.923 0.570 0.905 0.595 CB 1.709 43 residues pruned to eliminate duplicates Z: 37 52.910 2.329 0.977 0.638 0.944 0.694 CB 1.782 37 residues pruned to eliminate duplicates Z: 41 48.041 2.260 0.934 0.611 0.875 0.575 CB 1.788 41 residues pruned to eliminate duplicates Z: 18 20.994 2.043 0.562 0.587 1.000 0.412 CA 1.468 18 residues pruned to eliminate duplicates Z: 16 12.757 1.964 0.569 0.353 0.867 0.733 CB 1.446 16 residues pruned to eliminate duplicates Z: 19 18.805 2.077 0.931 0.281 0.889 0.556 CB 1.592 22 residues pruned to eliminate duplicates Z: 6 4.564 1.757 0.339 0.305 1.000 0.600 CB 1.077 6 residues pruned to eliminate duplicates Z: 11 19.393 2.315 0.943 0.417 0.900 0.700 CB 1.651 11 residues pruned to eliminate duplicates Z: 12 11.002 2.044 0.931 0.302 0.818 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 15 14.080 2.056 0.587 0.478 0.857 0.571 CB 1.376 15 residues pruned to eliminate duplicates Z: 11 15.041 2.150 0.816 0.294 0.900 0.600 CB 1.704 11 residues pruned to eliminate duplicates Z: 6 9.638 1.915 0.655 0.670 1.000 0.000 CB 1.162 6 residues pruned to eliminate duplicates Z: 42 36.635 2.170 0.680 0.567 0.902 0.512 CB 1.630 42 residues pruned to eliminate duplicates Z: 37 48.405 2.278 0.747 0.656 1.000 0.556 CB 1.754 37 residues pruned to eliminate duplicates Z: 48 48.684 2.274 0.870 0.552 0.915 0.638 CB 1.735 48 residues pruned to eliminate duplicates Z: 49 48.428 2.274 0.855 0.536 0.917 0.583 CB 1.745 49 residues pruned to eliminate duplicates Z: 48 52.935 2.293 0.864 0.582 0.957 0.660 CB 1.744 48 residues pruned to eliminate duplicates Z: 29 44.447 2.324 1.077 0.583 0.929 0.571 CB 1.732 29 residues pruned to eliminate duplicates Z: 40 45.439 2.321 0.790 0.614 0.897 0.615 CB 1.752 40 residues pruned to eliminate duplicates Z: 39 51.335 2.308 0.872 0.638 0.974 0.658 CB 1.739 39 residues pruned to eliminate duplicates Z: 56 55.321 2.299 0.809 0.634 0.927 0.673 CB 1.706 56 residues pruned to eliminate duplicates Z: 49 50.364 2.264 0.991 0.555 0.917 0.583 CB 1.668 49 residues pruned to eliminate duplicates Z: 48 49.274 2.299 0.865 0.559 0.957 0.660 CB 1.653 48 residues pruned to eliminate duplicates Z: 48 50.877 2.290 0.938 0.559 0.872 0.617 CB 1.811 48 residues pruned to eliminate duplicates Z: 38 54.574 2.340 0.986 0.640 0.973 0.622 CB 1.740 38 residues pruned to eliminate duplicates Z: 38 50.483 2.276 0.925 0.628 0.973 0.514 CB 1.726 38 residues pruned to eliminate duplicates Z: 40 48.432 2.288 0.892 0.592 0.923 0.538 CB 1.777 40 residues pruned to eliminate duplicates Z: 44 41.639 2.205 0.857 0.595 0.884 0.605 CB 1.602 44 residues pruned to eliminate duplicates Z: 49 48.080 2.279 0.944 0.529 0.938 0.479 CB 1.624 49 residues pruned to eliminate duplicates Z: 38 51.856 2.332 0.870 0.616 0.973 0.622 CB 1.801 38 residues pruned to eliminate duplicates Z: 49 48.621 2.264 0.911 0.560 0.958 0.479 CB 1.597 49 residues pruned to eliminate duplicates Z: 78 53.757 2.191 0.743 0.575 0.909 0.468 CB 1.642 78 residues pruned to eliminate duplicates Z: 38 48.401 2.240 0.978 0.632 0.919 0.595 CB 1.726 38 residues pruned to eliminate duplicates Z: 46 45.082 2.258 0.869 0.540 0.911 0.578 CB 1.680 46 residues pruned to eliminate duplicates Z: 49 49.534 2.270 0.999 0.557 0.896 0.583 CB 1.664 49 residues pruned to eliminate duplicates Z: 48 50.149 2.247 0.898 0.549 0.936 0.489 CB 1.746 48 residues pruned to eliminate duplicates Z: 48 46.972 2.246 0.896 0.556 0.915 0.596 CB 1.665 48 residues pruned to eliminate duplicates Z: 38 51.473 2.290 0.901 0.671 0.946 0.595 CB 1.755 38 residues pruned to eliminate duplicates Z: 37 53.088 2.317 0.849 0.652 1.000 0.583 CA 1.793 37 residues pruned to eliminate duplicates Z: 39 52.815 2.295 0.985 0.612 0.974 0.553 CB 1.738 39 residues pruned to eliminate duplicates Z: 37 49.677 2.285 0.894 0.652 0.944 0.500 CB 1.759 37 residues pruned to eliminate duplicates Z: 38 54.100 2.318 0.994 0.645 0.973 0.541 CB 1.728 38 residues pruned to eliminate duplicates Z: 48 52.340 2.287 0.942 0.581 0.936 0.660 CB 1.699 48 residues pruned to eliminate duplicates Z: 49 50.818 2.209 0.998 0.528 0.958 0.458 CB 1.688 49 residues pruned to eliminate duplicates Z: 145 72.862 2.232 0.684 0.601 0.910 0.639 CB 1.614 145 residues pruned to eliminate duplicates Z: 63 57.225 2.260 0.805 0.607 0.968 0.613 CB 1.663 63 residues pruned to eliminate duplicates Z: 113 73.823 2.275 0.683 0.644 0.929 0.625 CB 1.714 113 residues pruned to eliminate duplicates Z: 99 60.848 2.250 0.621 0.645 0.898 0.684 CB 1.638 99 residues pruned to eliminate duplicates Z: 41 40.382 2.295 0.714 0.564 0.900 0.700 CB 1.695 41 residues pruned to eliminate duplicates Z: 63 51.282 2.279 0.672 0.598 0.903 0.629 CB 1.722 63 residues pruned to eliminate duplicates Z: 77 53.328 2.267 0.547 0.637 0.895 0.645 CB 1.714 77 residues pruned to eliminate duplicates Z: 78 51.593 2.241 0.551 0.624 0.922 0.649 CB 1.632 78 residues pruned to eliminate duplicates Z: 61 52.082 2.298 0.586 0.630 0.950 0.617 CB 1.717 61 residues pruned to eliminate duplicates Z: 33 33.790 2.214 0.852 0.571 0.844 0.531 CB 1.613 33 residues pruned to eliminate duplicates Z: 98 65.833 2.268 0.687 0.634 0.938 0.598 CB 1.642 98 residues pruned to eliminate duplicates Z: 16 47.126 2.257 1.203 0.804 1.000 0.800 CB 1.877 16 residues pruned to eliminate duplicates Z: 61 53.070 2.304 0.671 0.619 0.917 0.633 CB 1.735 61 residues pruned to eliminate duplicates Z: 40 45.103 2.316 0.810 0.580 0.923 0.564 CB 1.728 40 residues pruned to eliminate duplicates Z: 100 61.797 2.209 0.660 0.640 0.899 0.657 CB 1.653 100 residues pruned to eliminate duplicates Z: 41 42.384 2.299 0.803 0.573 0.900 0.600 CB 1.675 41 residues pruned to eliminate duplicates Z: 68 49.494 2.229 0.666 0.584 0.925 0.537 CB 1.623 68 residues pruned to eliminate duplicates Z: 58 55.530 2.296 0.737 0.655 0.912 0.684 CB 1.751 58 residues pruned to eliminate duplicates Z: 30 39.494 2.295 1.122 0.602 0.828 0.621 CB 1.651 30 residues pruned to eliminate duplicates Z: 23 48.117 2.358 1.091 0.762 0.909 0.727 CB 1.814 23 residues pruned to eliminate duplicates Z: 39 39.328 2.294 0.823 0.570 0.842 0.632 CB 1.693 39 residues pruned to eliminate duplicates Z: 66 41.886 2.184 0.455 0.611 0.923 0.662 CB 1.595 66 residues pruned to eliminate duplicates Z: 77 59.739 2.275 0.658 0.651 0.934 0.697 CB 1.689 77 residues pruned to eliminate duplicates Z: 40 43.736 2.310 0.790 0.595 0.897 0.641 CB 1.723 40 residues pruned to eliminate duplicates Z: 44 35.316 2.256 0.519 0.592 0.837 0.628 CB 1.719 44 residues pruned to eliminate duplicates Z: 31 37.470 2.281 0.874 0.607 0.867 0.633 CB 1.668 31 residues pruned to eliminate duplicates Z: 26 21.805 2.240 0.508 0.446 0.840 0.600 CB 1.625 26 residues pruned to eliminate duplicates Z: 99 60.868 2.228 0.670 0.634 0.898 0.571 CB 1.623 99 residues pruned to eliminate duplicates Z: 64 52.995 2.274 0.633 0.621 0.952 0.603 CB 1.684 64 residues pruned to eliminate duplicates Z: 76 57.109 2.268 0.597 0.659 0.933 0.613 CB 1.683 76 residues pruned to eliminate duplicates Z: 77 55.905 2.263 0.620 0.639 0.921 0.658 CB 1.668 77 residues pruned to eliminate duplicates Z: 37 30.534 2.210 0.649 0.500 0.889 0.694 CB 1.571 37 residues pruned to eliminate duplicates Z: 98 68.129 2.269 0.670 0.663 0.948 0.691 CB 1.656 98 residues pruned to eliminate duplicates Z: 39 42.533 2.254 0.835 0.600 0.921 0.632 CB 1.646 39 residues pruned to eliminate duplicates Z: 99 63.131 2.256 0.663 0.643 0.918 0.663 CB 1.620 99 residues pruned to eliminate duplicates Z: 99 65.377 2.253 0.683 0.659 0.918 0.673 CB 1.637 99 residues pruned to eliminate duplicates Z: 76 47.562 2.161 0.595 0.599 0.893 0.600 CB 1.623 76 residues pruned to eliminate duplicates Z: 78 58.014 2.237 0.718 0.647 0.922 0.584 CB 1.626 78 residues pruned to eliminate duplicates Z: 39 42.098 2.246 0.750 0.598 0.947 0.632 CB 1.671 39 residues pruned to eliminate duplicates Z: 58 54.815 2.306 0.721 0.655 0.895 0.614 CB 1.771 58 residues pruned to eliminate duplicates Z: 78 58.141 2.247 0.663 0.648 0.948 0.675 CB 1.629 78 residues pruned to eliminate duplicates Z: 58 48.586 2.185 0.714 0.620 0.947 0.667 CB 1.620 58 residues pruned to eliminate duplicates Z: 63 52.579 2.260 0.689 0.623 0.935 0.726 CB 1.664 63 residues pruned to eliminate duplicates Z: 66 47.207 2.239 0.619 0.596 0.892 0.631 CB 1.652 66 residues pruned to eliminate duplicates Z: 76 57.794 2.238 0.682 0.652 0.933 0.653 CB 1.649 76 residues pruned to eliminate duplicates Z: 63 55.497 2.284 0.662 0.636 0.952 0.710 CB 1.718 63 residues pruned to eliminate duplicates Z: 60 51.427 2.214 0.776 0.647 0.898 0.644 CB 1.653 60 residues pruned to eliminate duplicates Z: 51 41.977 2.186 0.577 0.657 0.960 0.620 CB 1.550 51 residues pruned to eliminate duplicates Z: 105 70.105 2.202 0.803 0.598 0.933 0.481 CB 1.691 105 residues pruned to eliminate duplicates Z: 98 69.620 2.260 0.724 0.664 0.948 0.670 CB 1.644 98 residues pruned to eliminate duplicates Z: 66 54.317 2.262 0.733 0.618 0.923 0.569 CB 1.666 66 residues pruned to eliminate duplicates Z: 98 67.683 2.272 0.732 0.653 0.928 0.670 CB 1.633 98 residues pruned to eliminate duplicates Z: 86 52.089 2.219 0.579 0.625 0.906 0.647 CB 1.581 86 residues pruned to eliminate duplicates Z: 99 65.513 2.260 0.713 0.654 0.918 0.643 CB 1.613 99 residues pruned to eliminate duplicates Z: 51 39.568 2.201 0.559 0.577 0.920 0.480 CB 1.646 51 residues pruned to eliminate duplicates Z: 59 46.916 2.241 0.729 0.576 0.914 0.569 CB 1.617 59 residues pruned to eliminate duplicates Z: 63 47.630 2.253 0.654 0.627 0.887 0.629 CB 1.623 63 residues pruned to eliminate duplicates Z: 17 23.794 2.127 0.585 0.604 0.938 0.562 CB 1.706 17 residues pruned to eliminate duplicates Z: 65 52.239 2.277 0.685 0.632 0.922 0.672 CB 1.632 65 residues pruned to eliminate duplicates Z: 14 16.903 1.993 0.434 0.641 0.846 0.538 CA 1.699 14 residues pruned to eliminate duplicates Z: 59 49.014 2.219 0.677 0.640 0.897 0.638 CB 1.693 59 residues pruned to eliminate duplicates Z: 98 64.493 2.252 0.668 0.666 0.928 0.680 CB 1.611 98 residues pruned to eliminate duplicates Z: 65 49.905 2.271 0.652 0.618 0.906 0.656 CB 1.641 65 residues pruned to eliminate duplicates Z: 36 35.036 2.210 0.520 0.627 0.943 0.600 CB 1.658 36 residues pruned to eliminate duplicates Z: 76 62.221 2.280 0.730 0.662 0.933 0.613 CB 1.680 76 residues pruned to eliminate duplicates Z: 49 41.181 2.207 0.527 0.665 0.958 0.667 CB 1.580 49 residues pruned to eliminate duplicates Z: 79 57.169 2.238 0.658 0.646 0.923 0.667 CB 1.650 79 residues pruned to eliminate duplicates Z: 77 58.319 2.261 0.699 0.653 0.921 0.697 CB 1.639 77 residues pruned to eliminate duplicates Z: 77 57.453 2.247 0.719 0.655 0.908 0.671 CB 1.627 77 residues pruned to eliminate duplicates Z: 36 38.649 2.188 0.683 0.715 0.943 0.743 CB 1.548 36 residues pruned to eliminate duplicates Z: 77 57.276 2.244 0.675 0.658 0.921 0.684 CB 1.638 77 residues pruned to eliminate duplicates Z: 75 61.435 2.291 0.733 0.661 0.932 0.689 CB 1.662 75 residues pruned to eliminate duplicates Z: 31 28.323 2.133 0.524 0.696 0.900 0.633 CB 1.478 31 residues pruned to eliminate duplicates Z: 36 37.600 2.245 0.683 0.700 0.914 0.743 CB 1.533 36 residues pruned to eliminate duplicates Z: 97 61.818 2.211 0.744 0.650 0.906 0.646 CB 1.569 97 residues pruned to eliminate duplicates Z: 100 65.394 2.246 0.726 0.650 0.919 0.687 CB 1.604 100 residues pruned to eliminate duplicates Z: 36 35.884 2.210 0.677 0.692 0.886 0.686 CB 1.550 36 residues pruned to eliminate duplicates Z: 36 39.142 2.242 0.732 0.700 0.943 0.743 CB 1.505 36 residues pruned to eliminate duplicates Z: 36 40.176 2.172 0.880 0.693 0.886 0.629 CB 1.574 36 residues pruned to eliminate duplicates Z: 37 34.577 2.196 0.774 0.688 0.889 0.722 CB 1.400 37 residues pruned to eliminate duplicates Z: 85 53.649 2.167 0.613 0.639 0.952 0.631 CB 1.543 85 residues pruned to eliminate duplicates Z: 36 40.826 2.235 0.813 0.703 0.943 0.743 CB 1.502 36 residues pruned to eliminate duplicates Z: 98 66.114 2.263 0.705 0.675 0.918 0.670 CB 1.614 98 residues pruned to eliminate duplicates Z: 38 37.099 2.164 0.707 0.707 0.919 0.757 CB 1.488 38 residues pruned to eliminate duplicates Z: 86 49.985 2.211 0.629 0.621 0.882 0.729 CB 1.522 86 residues pruned to eliminate duplicates Z: 93 63.723 2.198 0.792 0.648 0.924 0.630 CB 1.590 93 residues pruned to eliminate duplicates Z: 99 65.747 2.255 0.736 0.655 0.918 0.704 CB 1.599 99 residues pruned to eliminate duplicates Z: 99 66.544 2.260 0.721 0.661 0.918 0.663 CB 1.621 99 residues pruned to eliminate duplicates Z: 36 38.888 2.173 0.843 0.688 0.914 0.771 CB 1.511 36 residues pruned to eliminate duplicates Z: 24 29.776 2.140 0.798 0.660 0.913 0.696 CB 1.523 24 residues pruned to eliminate duplicates Z: 17 28.623 2.186 0.764 0.684 0.938 0.750 CB 1.671 17 residues pruned to eliminate duplicates Z: 17 26.518 2.181 0.759 0.689 0.875 0.812 CB 1.662 17 residues pruned to eliminate duplicates Z: 35 45.190 2.251 0.850 0.747 0.941 0.765 CB 1.586 35 residues pruned to eliminate duplicates Z: 99 69.062 2.228 0.746 0.681 0.949 0.714 CB 1.600 99 residues pruned to eliminate duplicates Z: 19 25.483 2.123 0.672 0.702 0.944 0.778 CB 1.491 19 residues pruned to eliminate duplicates Z: 37 37.525 2.189 0.752 0.708 0.917 0.750 CB 1.473 37 residues pruned to eliminate duplicates Z: 17 31.415 2.254 0.688 0.747 1.000 0.750 CB 1.655 Z: 15 19.654 1.810 0.430 0.911 1.000 0.929 C 1.438 15 residues pruned to eliminate duplicates Z: 37 38.196 2.190 0.763 0.710 0.917 0.639 CB 1.486 54 residues pruned to eliminate duplicates Z: 26 24.957 2.064 0.633 0.609 0.920 0.640 CB 1.452 26 residues pruned to eliminate duplicates 449 residues left after pruning, divided into chains as follows: A: 11 B: 231 C: 207 CC for partial structure against native data = 39.66 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.389, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.436, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.516, Connect. = 0.802 for dens.mod. cycle 3 = 0.300, Contrast = 0.519, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 0.526, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.531, Connect. = 0.806 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.543, Connect. = 0.809 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3469 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 702 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 43.289 2.594 0.870 0.838 1.000 0.818 CB 2.011 B: 10 44.041 2.688 0.817 0.913 1.000 1.000 C 2.127 10 residues pruned to eliminate duplicates C: 13 35.036 2.460 0.612 0.871 1.000 0.667 CB 1.860 13 residues pruned to eliminate duplicates D: 13 40.213 2.493 0.833 0.869 1.000 0.917 CB 1.855 13 residues pruned to eliminate duplicates E: 16 44.195 2.259 0.941 0.896 1.000 0.933 CB 1.864 F: 14 30.657 2.343 0.638 0.829 1.000 0.846 CB 1.667 14 residues pruned to eliminate duplicates G: 72 52.708 2.381 0.620 0.569 0.901 0.690 CB 1.683 12 residues pruned to eliminate duplicates H: 12 41.613 2.600 0.794 0.841 1.000 0.818 CB 2.006 12 residues pruned to eliminate duplicates I: 14 35.311 2.272 0.645 0.900 1.000 1.000 CB 1.871 J: 75 55.442 2.295 0.717 0.553 0.932 0.676 CB 1.667 73 residues pruned to eliminate duplicates K: 14 34.412 2.292 0.560 0.892 1.000 0.923 CB 1.917 14 residues pruned to eliminate duplicates L: 10 16.578 2.119 0.335 0.865 0.889 0.778 C 1.610 M: 16 41.277 2.177 1.007 0.927 1.000 0.733 CB 1.708 16 residues pruned to eliminate duplicates N: 14 32.521 2.287 0.495 0.943 1.000 1.000 CB 1.829 15 residues pruned to eliminate duplicates O: 80 57.551 2.324 0.769 0.552 0.899 0.658 CB 1.665 79 residues pruned to eliminate duplicates P: 16 42.391 2.199 1.006 0.902 1.000 0.867 CA 1.770 16 residues pruned to eliminate duplicates Q: 20 38.248 2.259 0.547 0.886 1.000 0.789 CA 1.813 R: 9 17.598 2.139 0.176 0.864 1.000 0.625 CA 1.815 S: 16 46.577 2.229 1.053 0.924 1.000 0.800 CB 1.846 16 residues pruned to eliminate duplicates T: 13 23.661 2.188 0.519 0.837 0.917 0.917 CB 1.677 U: 8 17.736 2.372 0.317 0.843 0.857 0.714 CA 1.864 8 residues pruned to eliminate duplicates V: 17 48.185 2.453 0.776 0.894 1.000 0.938 CA 1.982 W: 17 44.078 2.430 0.635 0.915 1.000 0.938 CB 1.961 X: 12 36.411 2.445 0.706 0.922 1.000 0.909 CB 1.851 Y: 14 13.658 2.105 0.584 0.327 0.923 0.692 CB 1.487 Z: 17 45.652 2.416 0.827 0.936 1.000 1.000 CB 1.801 17 residues pruned to eliminate duplicates Z: 16 46.889 2.257 1.029 0.935 1.000 0.867 CA 1.842 16 residues pruned to eliminate duplicates Z: 10 14.155 2.039 0.207 0.881 1.000 0.778 CA 1.388 10 residues pruned to eliminate duplicates Z: 13 34.201 2.297 0.752 0.931 1.000 1.000 CB 1.715 13 residues pruned to eliminate duplicates Z: 12 27.467 2.426 0.222 0.913 1.000 0.909 CA 1.978 12 residues pruned to eliminate duplicates Z: 13 29.932 2.151 0.764 0.891 1.000 0.917 CB 1.637 Z: 14 28.886 2.352 0.466 0.889 1.000 0.846 CB 1.673 14 residues pruned to eliminate duplicates Z: 16 46.618 2.450 0.784 0.902 1.000 1.000 CB 1.965 16 residues pruned to eliminate duplicates Z: 11 19.449 2.293 0.093 0.925 1.000 1.000 CB 1.722 Z: 12 38.322 2.433 0.693 0.921 1.000 0.909 CA 1.975 12 residues pruned to eliminate duplicates Z: 10 12.522 1.983 0.340 0.805 0.889 0.556 CA 1.355 10 residues pruned to eliminate duplicates Z: 16 11.755 2.064 0.536 0.316 0.800 0.533 CB 1.466 15 residues pruned to eliminate duplicates Z: 16 49.507 2.484 0.844 0.899 1.000 0.800 C 1.996 17 residues pruned to eliminate duplicates Z: 17 42.521 2.408 0.657 0.923 1.000 1.000 C 1.872 17 residues pruned to eliminate duplicates Z: 15 46.222 2.367 0.847 0.933 1.000 0.929 CA 1.971 16 residues pruned to eliminate duplicates Z: 17 48.501 2.345 0.843 0.943 1.000 1.000 CA 1.945 16 residues pruned to eliminate duplicates Z: 14 32.563 2.251 0.599 0.892 1.000 1.000 CB 1.803 14 residues pruned to eliminate duplicates Z: 22 31.305 2.220 0.399 0.837 0.952 0.714 CB 1.726 11 residues pruned to eliminate duplicates Z: 13 30.074 2.195 0.655 0.910 1.000 0.917 CA 1.694 13 residues pruned to eliminate duplicates Z: 15 40.719 2.366 0.580 0.940 1.000 1.000 CA 2.021 15 residues pruned to eliminate duplicates Z: 19 31.634 2.146 0.612 0.877 0.944 0.889 CB 1.657 19 residues pruned to eliminate duplicates Z: 18 46.880 2.346 0.861 0.897 1.000 0.941 CA 1.864 18 residues pruned to eliminate duplicates Z: 18 48.394 2.468 0.718 0.888 1.000 0.765 CB 1.995 20 residues pruned to eliminate duplicates Z: 10 25.246 2.116 0.760 0.862 1.000 0.556 CA 1.659 10 residues pruned to eliminate duplicates Z: 17 47.792 2.424 0.938 0.921 0.938 0.812 C 1.909 17 residues pruned to eliminate duplicates Z: 12 49.580 2.440 1.212 0.932 1.000 0.636 CB 1.934 12 residues pruned to eliminate duplicates Z: 13 28.169 2.184 0.474 0.884 1.000 1.000 CA 1.825 14 residues pruned to eliminate duplicates Z: 16 40.164 2.238 0.784 0.936 1.000 0.933 CA 1.808 16 residues pruned to eliminate duplicates Z: 11 19.834 2.138 0.281 0.901 1.000 0.900 CA 1.634 12 residues pruned to eliminate duplicates Z: 18 39.151 2.332 0.569 0.899 1.000 0.941 CA 1.855 18 residues pruned to eliminate duplicates Z: 23 34.234 2.211 0.650 0.814 0.909 0.682 CA 1.674 23 residues pruned to eliminate duplicates Z: 13 23.157 2.163 0.285 0.897 1.000 1.000 CB 1.722 13 residues pruned to eliminate duplicates Z: 14 34.665 2.349 0.743 0.894 1.000 0.692 CB 1.685 14 residues pruned to eliminate duplicates Z: 97 68.293 2.309 0.597 0.661 0.917 0.698 CB 1.777 53 residues pruned to eliminate duplicates Z: 18 42.433 2.345 0.710 0.892 1.000 0.882 CA 1.843 18 residues pruned to eliminate duplicates Z: 11 20.854 2.141 0.290 0.933 1.000 0.900 CA 1.667 11 residues pruned to eliminate duplicates Z: 13 33.540 2.406 0.685 0.875 1.000 0.917 CB 1.737 13 residues pruned to eliminate duplicates Z: 13 23.424 2.146 0.661 0.845 0.833 0.667 CB 1.692 13 residues pruned to eliminate duplicates Z: 15 33.699 2.316 0.463 0.885 1.000 1.000 CA 1.919 15 residues pruned to eliminate duplicates Z: 8 15.908 2.281 0.745 0.454 1.000 0.857 CA 1.582 Z: 21 33.940 2.283 0.535 0.837 0.900 0.700 C 1.800 22 residues pruned to eliminate duplicates Z: 17 51.299 2.330 1.076 0.906 1.000 0.750 CB 1.886 18 residues pruned to eliminate duplicates Z: 19 36.881 2.240 0.787 0.827 0.944 0.833 CA 1.733 19 residues pruned to eliminate duplicates Z: 12 35.182 2.305 0.808 0.904 1.000 0.909 CB 1.812 12 residues pruned to eliminate duplicates Z: 100 76.747 2.279 0.802 0.651 0.929 0.657 CB 1.756 96 residues pruned to eliminate duplicates Z: 87 68.188 2.309 0.682 0.652 0.930 0.709 CB 1.766 87 residues pruned to eliminate duplicates Z: 17 47.004 2.425 0.897 0.900 1.000 0.875 CB 1.825 17 residues pruned to eliminate duplicates Z: 9 18.419 2.237 0.305 0.869 1.000 1.000 CA 1.630 9 residues pruned to eliminate duplicates Z: 10 22.631 2.044 0.695 0.868 1.000 0.889 CA 1.592 10 residues pruned to eliminate duplicates Z: 9 14.258 2.136 0.153 0.797 0.875 0.625 CA 1.805 9 residues pruned to eliminate duplicates Z: 12 24.128 2.266 0.183 0.916 1.000 0.909 CA 1.916 12 residues pruned to eliminate duplicates Z: 15 38.099 2.342 0.606 0.934 1.000 1.000 CA 1.888 15 residues pruned to eliminate duplicates Z: 18 46.138 2.371 0.847 0.877 1.000 0.882 CA 1.857 19 residues pruned to eliminate duplicates Z: 10 36.829 2.517 0.909 0.924 0.889 0.556 C 2.018 10 residues pruned to eliminate duplicates Z: 19 36.917 2.240 0.660 0.858 1.000 0.778 CA 1.723 19 residues pruned to eliminate duplicates Z: 17 51.980 2.407 1.061 0.900 1.000 0.750 CA 1.871 16 residues pruned to eliminate duplicates Z: 13 25.756 2.202 0.482 0.850 1.000 0.833 CB 1.687 15 residues pruned to eliminate duplicates Z: 12 41.986 2.592 0.746 0.859 1.000 0.909 CB 2.059 12 residues pruned to eliminate duplicates Z: 22 26.599 2.178 0.396 0.779 0.905 0.667 CB 1.649 22 residues pruned to eliminate duplicates Z: 18 30.949 2.377 0.429 0.847 0.941 0.824 CB 1.743 18 residues pruned to eliminate duplicates Z: 22 36.902 2.253 0.510 0.835 1.000 0.571 CA 1.774 22 residues pruned to eliminate duplicates Z: 12 30.930 2.279 0.507 0.880 1.000 0.818 CB 1.967 12 residues pruned to eliminate duplicates Z: 15 44.893 2.313 0.937 0.901 1.000 0.929 CA 1.912 15 residues pruned to eliminate duplicates Z: 10 22.366 2.253 0.308 0.919 1.000 0.889 CA 1.783 10 residues pruned to eliminate duplicates Z: 14 15.475 2.135 0.558 0.350 0.923 0.615 CB 1.644 15 residues pruned to eliminate duplicates Z: 14 29.224 2.268 0.369 0.911 1.000 1.000 CB 1.850 16 residues pruned to eliminate duplicates Z: 18 43.235 2.307 0.681 0.905 1.000 0.941 CA 1.924 17 residues pruned to eliminate duplicates Z: 25 38.749 2.238 0.589 0.777 0.958 0.708 CB 1.818 21 residues pruned to eliminate duplicates Z: 15 32.060 2.159 0.603 0.906 1.000 0.929 CB 1.760 15 residues pruned to eliminate duplicates Z: 12 28.926 2.153 0.673 0.919 1.000 0.909 CB 1.706 12 residues pruned to eliminate duplicates Z: 21 32.407 2.236 0.618 0.847 0.900 0.700 CA 1.652 21 residues pruned to eliminate duplicates Z: 9 17.856 2.148 0.353 0.788 1.000 0.750 CB 1.687 9 residues pruned to eliminate duplicates Z: 7 8.567 1.802 0.516 0.805 0.833 0.667 CA 1.177 7 residues pruned to eliminate duplicates Z: 12 31.310 2.317 0.634 0.877 1.000 1.000 CB 1.811 12 residues pruned to eliminate duplicates Z: 18 35.895 2.317 0.774 0.828 0.941 0.824 CB 1.695 18 residues pruned to eliminate duplicates Z: 18 39.266 2.323 0.606 0.897 1.000 0.941 CA 1.828 18 residues pruned to eliminate duplicates Z: 72 60.518 2.373 0.687 0.574 0.944 0.704 CB 1.770 72 residues pruned to eliminate duplicates Z: 10 23.217 2.049 0.579 0.869 1.000 0.889 CA 1.747 10 residues pruned to eliminate duplicates Z: 10 13.510 2.124 1.057 0.371 0.778 0.444 CA 1.521 Z: 13 23.340 2.136 0.497 0.877 0.917 0.833 CB 1.670 13 residues pruned to eliminate duplicates Z: 12 25.309 2.218 0.510 0.888 1.000 0.909 CB 1.641 12 residues pruned to eliminate duplicates Z: 14 34.264 2.279 0.553 0.918 1.000 1.000 CB 1.893 14 residues pruned to eliminate duplicates Z: 13 27.486 2.161 0.664 0.839 1.000 0.833 CA 1.647 13 residues pruned to eliminate duplicates Z: 16 46.010 2.230 0.934 0.943 1.000 0.733 CA 1.909 16 residues pruned to eliminate duplicates Z: 8 22.613 2.359 0.406 0.859 1.000 0.857 CB 1.896 8 residues pruned to eliminate duplicates Z: 11 14.415 1.955 0.445 0.750 0.900 0.800 CA 1.434 11 residues pruned to eliminate duplicates Z: 19 41.899 2.407 0.482 0.884 1.000 0.778 CA 2.000 19 residues pruned to eliminate duplicates Z: 47 46.413 2.237 0.678 0.604 1.000 0.717 CB 1.652 35 residues pruned to eliminate duplicates Z: 17 32.069 2.382 0.312 0.917 1.000 0.938 CB 1.811 17 residues pruned to eliminate duplicates Z: 13 30.307 2.139 0.620 0.892 1.000 1.000 CB 1.814 13 residues pruned to eliminate duplicates Z: 14 25.305 2.088 0.634 0.842 1.000 0.923 CB 1.534 Z: 21 43.830 2.355 0.647 0.872 1.000 0.850 CB 1.841 21 residues pruned to eliminate duplicates Z: 20 31.614 2.272 0.506 0.852 0.895 0.737 CB 1.751 20 residues pruned to eliminate duplicates Z: 18 46.052 2.458 0.682 0.887 1.000 0.824 CA 1.948 18 residues pruned to eliminate duplicates Z: 25 38.431 2.210 0.626 0.785 0.958 0.708 CB 1.774 25 residues pruned to eliminate duplicates Z: 10 21.536 2.013 0.626 0.859 1.000 0.889 CA 1.614 10 residues pruned to eliminate duplicates Z: 12 32.112 2.352 0.673 0.859 1.000 0.909 CA 1.810 12 residues pruned to eliminate duplicates Z: 49 40.283 2.223 0.603 0.595 0.958 0.708 CB 1.555 49 residues pruned to eliminate duplicates Z: 13 27.981 2.214 0.599 0.881 0.917 0.833 CA 1.802 13 residues pruned to eliminate duplicates Z: 12 40.902 2.414 0.843 0.915 1.000 0.909 CA 1.960 12 residues pruned to eliminate duplicates Z: 9 10.344 1.906 0.129 0.858 1.000 0.500 CB 1.252 Z: 46 41.714 2.361 0.666 0.555 0.889 0.689 CB 1.687 46 residues pruned to eliminate duplicates Z: 13 28.016 2.137 0.727 0.887 1.000 0.917 CB 1.580 14 residues pruned to eliminate duplicates Z: 10 17.809 2.181 0.559 0.782 0.889 0.667 CA 1.532 10 residues pruned to eliminate duplicates Z: 9 14.564 1.982 0.217 0.812 1.000 0.750 C 1.627 Z: 13 19.323 2.094 0.424 0.911 0.833 0.667 CA 1.591 13 residues pruned to eliminate duplicates Z: 15 36.720 2.189 0.853 0.906 1.000 0.929 C 1.722 15 residues pruned to eliminate duplicates Z: 29 26.907 2.233 0.458 0.562 0.964 0.714 CB 1.525 29 residues pruned to eliminate duplicates Z: 11 19.673 2.142 0.253 0.924 1.000 0.900 CB 1.628 11 residues pruned to eliminate duplicates Z: 9 10.337 2.190 0.008 0.835 0.875 0.875 CA 1.417 Z: 18 48.471 2.308 1.025 0.865 1.000 0.588 CB 1.842 18 residues pruned to eliminate duplicates Z: 10 23.381 2.004 0.767 0.829 1.000 0.667 CA 1.656 10 residues pruned to eliminate duplicates Z: 22 36.744 2.288 0.567 0.818 0.952 0.762 CA 1.783 22 residues pruned to eliminate duplicates Z: 9 12.926 2.102 0.004 0.872 1.000 0.750 CB 1.578 9 residues pruned to eliminate duplicates Z: 15 34.042 2.277 0.479 0.911 1.000 1.000 CA 1.915 15 residues pruned to eliminate duplicates Z: 13 28.684 2.145 0.750 0.890 1.000 1.000 CB 1.587 13 residues pruned to eliminate duplicates Z: 26 38.070 2.261 0.622 0.767 0.960 0.640 CA 1.708 26 residues pruned to eliminate duplicates Z: 20 34.306 2.191 0.748 0.825 0.895 0.737 CB 1.734 20 residues pruned to eliminate duplicates Z: 13 21.912 2.166 0.365 0.856 1.000 0.917 CB 1.578 13 residues pruned to eliminate duplicates Z: 9 14.827 2.211 0.071 0.892 1.000 1.000 CB 1.590 9 residues pruned to eliminate duplicates Z: 19 39.603 2.234 0.667 0.908 1.000 0.889 CA 1.781 19 residues pruned to eliminate duplicates Z: 11 24.519 2.165 0.506 0.921 1.000 0.900 CA 1.674 11 residues pruned to eliminate duplicates Z: 11 23.530 2.103 0.712 0.924 1.000 0.700 CB 1.451 Z: 11 14.355 2.100 0.064 0.901 1.000 0.800 CB 1.450 11 residues pruned to eliminate duplicates Z: 9 15.567 2.149 0.161 0.868 1.000 1.000 CB 1.614 9 residues pruned to eliminate duplicates Z: 62 56.420 2.290 0.662 0.624 0.951 0.656 CB 1.776 50 residues pruned to eliminate duplicates Z: 14 38.748 2.279 0.825 0.896 1.000 0.769 C 1.851 14 residues pruned to eliminate duplicates Z: 9 19.266 2.086 0.501 0.919 1.000 1.000 CA 1.534 9 residues pruned to eliminate duplicates Z: 20 39.442 2.140 1.089 0.791 0.895 0.474 CB 1.753 20 residues pruned to eliminate duplicates Z: 18 42.370 2.281 0.900 0.912 1.000 0.824 C 1.679 18 residues pruned to eliminate duplicates Z: 12 18.775 2.039 0.255 0.885 1.000 0.636 CA 1.597 12 residues pruned to eliminate duplicates Z: 10 30.625 2.314 0.788 0.879 1.000 0.889 C 1.789 10 residues pruned to eliminate duplicates Z: 20 37.880 2.292 0.541 0.883 1.000 0.789 CA 1.780 20 residues pruned to eliminate duplicates Z: 10 11.809 2.034 0.891 0.360 0.778 0.667 CA 1.529 8 residues pruned to eliminate duplicates Z: 23 33.441 2.187 0.647 0.712 1.000 0.773 CB 1.632 23 residues pruned to eliminate duplicates Z: 42 49.434 2.307 0.874 0.564 0.902 0.610 CB 1.860 27 residues pruned to eliminate duplicates Z: 9 23.797 2.262 0.562 0.869 1.000 0.875 CA 1.740 10 residues pruned to eliminate duplicates Z: 13 27.078 2.060 0.736 0.891 1.000 0.917 C 1.571 13 residues pruned to eliminate duplicates Z: 8 19.315 2.293 0.243 0.869 1.000 0.571 CA 1.872 8 residues pruned to eliminate duplicates Z: 13 29.290 2.225 0.516 0.925 1.000 1.000 CB 1.759 13 residues pruned to eliminate duplicates Z: 18 45.627 2.310 0.836 0.895 1.000 0.941 CA 1.870 18 residues pruned to eliminate duplicates Z: 15 12.304 1.981 0.432 0.367 0.929 0.500 CB 1.440 15 residues pruned to eliminate duplicates Z: 9 15.494 2.018 0.260 0.896 1.000 1.000 C 1.544 9 residues pruned to eliminate duplicates Z: 12 23.831 2.058 0.477 0.921 1.000 1.000 CB 1.664 12 residues pruned to eliminate duplicates Z: 21 37.770 2.242 0.677 0.810 0.950 0.700 CB 1.805 21 residues pruned to eliminate duplicates Z: 73 62.774 2.345 0.810 0.552 0.917 0.611 CB 1.808 79 residues pruned to eliminate duplicates Z: 13 27.249 2.117 0.573 0.902 1.000 1.000 CB 1.685 13 residues pruned to eliminate duplicates Z: 11 23.830 2.054 0.689 0.910 1.000 0.700 CB 1.540 12 residues pruned to eliminate duplicates Z: 17 43.465 2.412 0.649 0.926 1.000 0.938 CB 1.917 17 residues pruned to eliminate duplicates Z: 20 39.709 2.341 0.603 0.861 0.947 0.474 CA 1.883 20 residues pruned to eliminate duplicates Z: 21 18.688 2.014 0.706 0.480 0.850 0.650 CB 1.460 19 residues pruned to eliminate duplicates Z: 13 30.615 2.171 0.729 0.888 1.000 0.833 CB 1.697 16 residues pruned to eliminate duplicates Z: 18 54.272 2.325 1.169 0.908 1.000 0.824 CA 1.854 17 residues pruned to eliminate duplicates Z: 19 41.337 2.357 0.552 0.894 1.000 0.889 CA 1.911 19 residues pruned to eliminate duplicates Z: 11 27.561 2.165 0.705 0.902 1.000 0.800 CA 1.685 11 residues pruned to eliminate duplicates Z: 12 26.298 2.261 0.308 0.892 1.000 1.000 CB 1.926 12 residues pruned to eliminate duplicates Z: 46 42.631 2.247 0.635 0.632 0.978 0.667 CB 1.563 46 residues pruned to eliminate duplicates Z: 69 55.336 2.337 0.535 0.615 0.926 0.632 CB 1.810 69 residues pruned to eliminate duplicates Z: 12 29.678 2.206 0.571 0.906 1.000 0.909 CB 1.836 12 residues pruned to eliminate duplicates Z: 85 48.268 2.178 0.471 0.632 0.940 0.702 CB 1.545 63 residues pruned to eliminate duplicates Z: 18 38.861 2.437 0.501 0.869 1.000 0.882 CB 1.883 18 residues pruned to eliminate duplicates Z: 10 17.393 2.211 0.048 0.912 1.000 1.000 CA 1.772 10 residues pruned to eliminate duplicates Z: 13 27.886 2.055 0.780 0.883 1.000 0.750 CB 1.591 13 residues pruned to eliminate duplicates Z: 9 29.373 2.237 0.829 0.860 1.000 0.750 CA 1.867 9 residues pruned to eliminate duplicates Z: 7 13.624 2.170 0.181 0.854 1.000 0.833 CA 1.603 7 residues pruned to eliminate duplicates Z: 9 11.276 1.908 0.513 0.871 1.000 0.875 CB 1.007 9 residues pruned to eliminate duplicates Z: 10 21.483 2.208 0.323 0.912 1.000 0.889 CB 1.736 10 residues pruned to eliminate duplicates Z: 13 28.964 2.334 0.508 0.854 1.000 0.583 CB 1.754 13 residues pruned to eliminate duplicates Z: 95 51.103 2.248 0.665 0.477 0.894 0.617 CB 1.613 95 residues pruned to eliminate duplicates Z: 20 37.037 2.161 0.687 0.834 1.000 0.684 C 1.747 20 residues pruned to eliminate duplicates Z: 9 25.203 2.262 0.569 0.837 1.000 0.750 C 1.878 9 residues pruned to eliminate duplicates Z: 11 23.902 2.157 0.509 0.918 1.000 0.900 CA 1.638 11 residues pruned to eliminate duplicates Z: 13 27.912 2.120 0.514 0.885 1.000 0.917 CA 1.813 13 residues pruned to eliminate duplicates Z: 10 17.881 2.016 0.632 0.857 0.889 0.667 CA 1.502 10 residues pruned to eliminate duplicates Z: 13 24.604 2.118 0.472 0.883 1.000 0.917 CB 1.647 13 residues pruned to eliminate duplicates Z: 10 19.354 2.214 0.202 0.929 1.000 1.000 CA 1.696 10 residues pruned to eliminate duplicates Z: 10 12.642 1.992 0.027 0.882 1.000 0.667 CB 1.491 9 residues pruned to eliminate duplicates Z: 19 41.310 2.333 0.624 0.884 1.000 0.889 CA 1.857 19 residues pruned to eliminate duplicates Z: 13 31.325 2.235 0.678 0.884 1.000 0.750 CA 1.742 13 residues pruned to eliminate duplicates Z: 14 30.809 2.113 0.799 0.896 1.000 0.923 CB 1.610 14 residues pruned to eliminate duplicates Z: 10 12.910 1.904 0.624 0.791 0.889 0.667 C 1.213 10 residues pruned to eliminate duplicates Z: 14 23.018 2.123 0.504 0.817 1.000 0.846 CB 1.518 14 residues pruned to eliminate duplicates Z: 6 3.545 1.754 0.255 0.330 0.800 0.600 C 1.085 Z: 17 48.530 2.275 1.138 0.916 0.938 0.750 CA 1.879 17 residues pruned to eliminate duplicates Z: 17 36.498 2.419 0.597 0.892 0.938 0.875 CB 1.810 17 residues pruned to eliminate duplicates Z: 11 24.244 2.136 0.528 0.916 1.000 0.800 CA 1.659 11 residues pruned to eliminate duplicates Z: 13 24.100 2.187 0.424 0.826 1.000 0.750 CA 1.684 12 residues pruned to eliminate duplicates Z: 13 24.328 2.137 0.500 0.895 1.000 1.000 CB 1.570 13 residues pruned to eliminate duplicates Z: 84 61.623 2.330 0.804 0.533 0.928 0.687 CB 1.679 83 residues pruned to eliminate duplicates Z: 11 16.596 1.813 0.427 0.855 1.000 0.700 CB 1.496 11 residues pruned to eliminate duplicates Z: 11 20.256 2.021 0.462 0.887 1.000 0.700 C 1.562 11 residues pruned to eliminate duplicates Z: 35 48.964 2.276 0.902 0.727 0.941 0.765 CB 1.680 35 residues pruned to eliminate duplicates Z: 9 10.788 2.120 0.093 0.861 1.000 0.500 CB 1.209 9 residues pruned to eliminate duplicates Z: 10 17.625 1.994 0.691 0.894 0.889 0.889 CA 1.406 10 residues pruned to eliminate duplicates Z: 54 38.757 2.301 0.645 0.501 0.887 0.585 CB 1.584 54 residues pruned to eliminate duplicates Z: 17 50.510 2.389 1.108 0.940 0.938 0.812 C 1.856 17 residues pruned to eliminate duplicates Z: 8 12.664 2.109 0.187 0.862 1.000 0.857 CB 1.404 8 residues pruned to eliminate duplicates Z: 97 65.634 2.308 0.539 0.655 0.917 0.667 CB 1.781 97 residues pruned to eliminate duplicates Z: 13 18.556 2.011 0.376 0.932 1.000 0.917 CB 1.351 13 residues pruned to eliminate duplicates Z: 14 24.436 1.966 0.800 0.915 1.000 1.000 C 1.354 14 residues pruned to eliminate duplicates Z: 15 41.853 2.166 1.103 0.903 1.000 0.786 C 1.750 15 residues pruned to eliminate duplicates Z: 15 40.422 2.168 0.947 0.914 1.000 0.857 CB 1.810 15 residues pruned to eliminate duplicates Z: 50 43.414 2.339 0.486 0.561 0.898 0.531 CB 1.873 50 residues pruned to eliminate duplicates Z: 9 13.721 1.977 0.371 0.891 1.000 0.875 CB 1.287 9 residues pruned to eliminate duplicates Z: 77 60.246 2.252 0.632 0.657 0.947 0.618 CB 1.716 77 residues pruned to eliminate duplicates Z: 15 16.683 2.051 0.160 0.809 0.929 0.714 CB 1.542 15 residues pruned to eliminate duplicates Z: 14 27.969 2.030 0.723 0.894 1.000 0.923 CB 1.591 14 residues pruned to eliminate duplicates Z: 108 73.075 2.300 0.671 0.615 0.935 0.729 CB 1.765 108 residues pruned to eliminate duplicates Z: 9 12.945 2.258 -0.042 0.875 1.000 0.875 CA 1.538 9 residues pruned to eliminate duplicates Z: 21 42.458 2.339 0.633 0.874 0.950 0.750 CA 1.904 21 residues pruned to eliminate duplicates Z: 14 31.686 1.998 0.994 0.889 1.000 0.923 CB 1.588 14 residues pruned to eliminate duplicates Z: 8 27.707 2.447 0.558 0.873 1.000 0.857 C 2.001 8 residues pruned to eliminate duplicates Z: 14 20.369 2.040 0.310 0.883 1.000 0.923 CB 1.529 14 residues pruned to eliminate duplicates Z: 10 16.134 2.042 0.418 0.833 0.889 0.667 C 1.567 10 residues pruned to eliminate duplicates Z: 14 39.003 2.301 0.742 0.905 1.000 1.000 CB 1.920 14 residues pruned to eliminate duplicates Z: 20 34.944 2.169 0.658 0.878 0.947 0.684 C 1.707 20 residues pruned to eliminate duplicates Z: 6 4.633 1.712 0.525 0.299 0.800 0.400 CB 1.242 6 residues pruned to eliminate duplicates Z: 75 59.622 2.376 0.702 0.575 0.959 0.703 CB 1.662 75 residues pruned to eliminate duplicates Z: 18 46.705 2.348 0.997 0.854 0.941 0.882 CB 1.896 18 residues pruned to eliminate duplicates Z: 37 26.823 2.099 0.709 0.440 0.889 0.583 CB 1.492 37 residues pruned to eliminate duplicates Z: 18 44.713 2.370 0.890 0.878 1.000 0.706 CB 1.757 18 residues pruned to eliminate duplicates Z: 15 36.795 2.178 0.761 0.905 1.000 0.929 CB 1.825 15 residues pruned to eliminate duplicates Z: 13 16.637 1.987 0.204 0.900 1.000 1.000 CB 1.434 13 residues pruned to eliminate duplicates Z: 12 28.884 2.242 0.653 0.877 0.909 0.727 C 1.877 12 residues pruned to eliminate duplicates Z: 89 61.808 2.298 0.560 0.634 0.943 0.670 CB 1.718 89 residues pruned to eliminate duplicates Z: 15 17.987 1.933 0.627 0.544 0.929 0.500 C 1.576 15 residues pruned to eliminate duplicates Z: 18 34.649 2.273 0.439 0.910 1.000 0.882 CA 1.821 18 residues pruned to eliminate duplicates Z: 12 28.819 2.254 0.458 0.933 1.000 1.000 CB 1.845 12 residues pruned to eliminate duplicates Z: 21 37.891 2.254 0.598 0.833 1.000 0.750 CB 1.765 21 residues pruned to eliminate duplicates Z: 10 14.889 2.038 0.126 0.915 1.000 1.000 CB 1.528 10 residues pruned to eliminate duplicates Z: 11 14.911 2.078 -0.016 0.904 1.000 0.900 CB 1.643 11 residues pruned to eliminate duplicates Z: 34 45.604 2.277 0.783 0.723 0.939 0.758 CB 1.701 34 residues pruned to eliminate duplicates Z: 18 50.701 2.329 1.238 0.842 1.000 0.647 CA 1.758 19 residues pruned to eliminate duplicates Z: 14 32.547 2.208 0.648 0.890 1.000 0.692 C 1.785 14 residues pruned to eliminate duplicates Z: 13 22.795 2.134 0.548 0.868 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 13 31.965 2.308 0.777 0.884 0.917 0.917 CA 1.774 13 residues pruned to eliminate duplicates Z: 12 21.210 2.179 0.564 0.902 0.909 0.818 CA 1.472 12 residues pruned to eliminate duplicates Z: 14 27.826 2.095 0.624 0.860 1.000 0.769 CB 1.667 14 residues pruned to eliminate duplicates Z: 17 47.179 2.304 1.087 0.889 0.938 0.750 CA 1.884 17 residues pruned to eliminate duplicates Z: 18 46.611 2.309 0.940 0.913 1.000 0.882 C 1.786 18 residues pruned to eliminate duplicates Z: 15 52.699 2.319 1.244 0.931 1.000 0.786 CB 1.893 15 residues pruned to eliminate duplicates Z: 10 14.034 2.098 0.096 0.844 1.000 0.778 CA 1.513 10 residues pruned to eliminate duplicates Z: 43 47.783 2.341 0.777 0.608 0.952 0.738 CB 1.680 43 residues pruned to eliminate duplicates Z: 12 30.552 2.342 0.648 0.827 1.000 0.727 CB 1.799 12 residues pruned to eliminate duplicates Z: 14 42.305 2.269 0.999 0.918 1.000 1.000 C 1.824 14 residues pruned to eliminate duplicates Z: 17 42.263 2.352 0.798 0.905 1.000 0.812 C 1.778 17 residues pruned to eliminate duplicates Z: 20 37.906 2.420 0.390 0.829 1.000 0.737 CA 1.946 20 residues pruned to eliminate duplicates Z: 45 44.837 2.284 0.696 0.615 0.977 0.727 CB 1.601 45 residues pruned to eliminate duplicates Z: 11 22.785 2.136 0.451 0.924 1.000 0.900 CA 1.633 11 residues pruned to eliminate duplicates Z: 12 28.395 2.241 0.539 0.911 1.000 0.727 CB 1.759 12 residues pruned to eliminate duplicates Z: 22 35.394 2.174 0.640 0.817 0.905 0.762 CA 1.819 22 residues pruned to eliminate duplicates Z: 15 16.466 1.966 0.245 0.739 1.000 0.643 CB 1.450 12 residues pruned to eliminate duplicates Z: 16 35.101 2.192 0.628 0.885 1.000 0.867 CA 1.834 16 residues pruned to eliminate duplicates Z: 13 32.981 2.152 0.941 0.903 1.000 0.833 CB 1.625 13 residues pruned to eliminate duplicates Z: 10 16.304 2.105 0.213 0.900 1.000 1.000 CA 1.520 10 residues pruned to eliminate duplicates Z: 16 20.989 2.063 0.962 0.474 0.867 0.600 CB 1.586 16 residues pruned to eliminate duplicates Z: 17 50.822 2.435 0.943 0.925 1.000 0.875 C 1.885 17 residues pruned to eliminate duplicates Z: 76 59.061 2.326 0.693 0.570 0.960 0.693 CB 1.687 76 residues pruned to eliminate duplicates Z: 10 17.906 1.994 0.517 0.788 1.000 0.667 CB 1.532 10 residues pruned to eliminate duplicates Z: 65 46.377 2.245 0.655 0.580 0.906 0.672 CB 1.595 65 residues pruned to eliminate duplicates Z: 12 14.093 1.690 0.432 0.899 1.000 0.818 CB 1.254 12 residues pruned to eliminate duplicates Z: 7 29.074 2.433 1.150 0.756 1.000 0.500 CB 1.807 7 residues pruned to eliminate duplicates Z: 13 25.984 2.167 0.682 0.877 0.917 0.833 CB 1.630 13 residues pruned to eliminate duplicates Z: 16 55.149 2.502 1.134 0.926 1.000 0.933 C 1.871 16 residues pruned to eliminate duplicates Z: 16 10.224 1.946 0.691 0.198 0.800 0.400 CB 1.436 6 residues pruned to eliminate duplicates Z: 14 19.728 2.005 0.281 0.891 1.000 0.923 CB 1.531 14 residues pruned to eliminate duplicates Z: 11 7.677 1.826 0.063 0.607 0.800 0.500 CB 1.413 11 residues pruned to eliminate duplicates Z: 13 34.288 2.226 0.891 0.927 1.000 0.917 CB 1.648 13 residues pruned to eliminate duplicates Z: 58 58.995 2.315 0.720 0.669 0.947 0.702 CB 1.772 58 residues pruned to eliminate duplicates Z: 25 38.011 2.241 0.658 0.765 0.958 0.792 CB 1.722 25 residues pruned to eliminate duplicates Z: 8 14.761 2.314 0.184 0.851 0.857 0.714 CA 1.758 8 residues pruned to eliminate duplicates Z: 22 11.731 2.027 0.628 0.336 0.857 0.571 CB 1.083 22 residues pruned to eliminate duplicates Z: 12 26.452 2.300 0.481 0.838 1.000 0.455 CA 1.750 12 residues pruned to eliminate duplicates Z: 13 24.126 2.112 0.496 0.888 1.000 0.917 CB 1.588 13 residues pruned to eliminate duplicates Z: 7 13.038 1.965 0.987 0.393 1.000 1.000 CA 1.528 7 residues pruned to eliminate duplicates Z: 6 2.530 1.471 0.040 0.307 0.800 0.400 CB 1.146 6 residues pruned to eliminate duplicates Z: 13 32.509 2.207 0.821 0.880 1.000 0.917 CB 1.692 13 residues pruned to eliminate duplicates Z: 18 8.088 1.978 0.434 0.326 0.824 0.588 CB 1.017 5 residues pruned to eliminate duplicates Z: 46 52.672 2.385 0.809 0.598 0.933 0.667 CB 1.777 46 residues pruned to eliminate duplicates Z: 13 22.909 2.025 0.566 0.932 1.000 0.833 CB 1.457 13 residues pruned to eliminate duplicates Z: 11 29.868 2.269 0.697 0.926 1.000 1.000 CA 1.720 11 residues pruned to eliminate duplicates Z: 20 38.409 2.239 0.646 0.901 0.947 0.842 CB 1.801 20 residues pruned to eliminate duplicates Z: 10 25.875 2.275 0.587 0.920 1.000 0.778 CB 1.683 10 residues pruned to eliminate duplicates Z: 80 63.826 2.353 0.750 0.539 0.962 0.658 CB 1.745 80 residues pruned to eliminate duplicates Z: 13 16.755 1.947 0.235 0.925 1.000 1.000 CB 1.411 13 residues pruned to eliminate duplicates Z: 12 27.662 2.215 0.522 0.916 1.000 0.909 CB 1.747 12 residues pruned to eliminate duplicates Z: 13 23.071 2.090 0.614 0.878 0.917 0.833 CB 1.563 13 residues pruned to eliminate duplicates Z: 8 3.616 2.052 0.387 0.171 0.571 0.429 CB 1.252 Z: 22 40.934 2.235 0.740 0.841 0.952 0.762 CB 1.798 22 residues pruned to eliminate duplicates Z: 10 15.905 1.927 0.582 0.902 0.889 0.333 CA 1.396 10 residues pruned to eliminate duplicates Z: 10 15.365 2.080 0.380 0.876 0.889 0.778 CA 1.459 10 residues pruned to eliminate duplicates Z: 21 46.616 2.334 0.772 0.851 1.000 0.700 CB 1.865 21 residues pruned to eliminate duplicates Z: 17 7.057 1.909 0.377 0.395 0.875 0.500 CB 0.858 15 residues pruned to eliminate duplicates Z: 42 25.274 2.136 0.534 0.490 0.927 0.634 CB 1.313 42 residues pruned to eliminate duplicates Z: 15 49.885 2.277 1.313 0.910 0.929 0.643 C 1.934 15 residues pruned to eliminate duplicates Z: 14 21.701 1.951 0.539 0.877 1.000 0.923 CB 1.455 14 residues pruned to eliminate duplicates Z: 11 11.169 2.007 0.643 0.312 0.800 0.400 CB 1.648 11 residues pruned to eliminate duplicates Z: 19 17.090 1.950 0.582 0.496 0.833 0.500 CB 1.573 19 residues pruned to eliminate duplicates Z: 13 29.075 2.104 0.879 0.885 1.000 0.833 CB 1.533 13 residues pruned to eliminate duplicates Z: 8 24.768 2.228 0.821 0.903 1.000 0.857 CB 1.645 8 residues pruned to eliminate duplicates Z: 10 20.756 2.249 0.228 0.919 1.000 1.000 CB 1.765 10 residues pruned to eliminate duplicates Z: 8 17.747 2.041 1.091 0.748 1.000 0.714 CB 1.260 8 residues pruned to eliminate duplicates Z: 136 71.359 2.299 0.764 0.522 0.904 0.556 CB 1.640 136 residues pruned to eliminate duplicates Z: 15 44.758 2.273 1.204 0.889 0.929 0.571 C 1.852 15 residues pruned to eliminate duplicates Z: 12 16.842 2.113 0.159 0.914 1.000 1.000 CB 1.467 12 residues pruned to eliminate duplicates Z: 14 20.140 1.979 0.394 0.933 1.000 1.000 CB 1.413 14 residues pruned to eliminate duplicates Z: 10 21.225 2.233 0.316 0.917 1.000 0.778 CB 1.700 10 residues pruned to eliminate duplicates Z: 12 12.162 1.811 0.384 0.773 0.909 0.636 CB 1.264 12 residues pruned to eliminate duplicates Z: 21 29.307 2.197 0.325 0.823 0.950 0.700 CB 1.792 21 residues pruned to eliminate duplicates Z: 13 10.911 2.049 0.457 0.375 0.917 0.583 CB 1.316 13 residues pruned to eliminate duplicates Z: 12 27.884 2.169 0.555 0.920 1.000 0.636 CA 1.756 12 residues pruned to eliminate duplicates Z: 6 7.306 2.201 0.229 0.441 1.000 0.400 CB 1.283 8 residues pruned to eliminate duplicates Z: 13 28.331 2.096 0.697 0.944 1.000 1.000 CA 1.593 13 residues pruned to eliminate duplicates Z: 13 29.667 2.252 0.705 0.896 0.917 0.833 CB 1.743 13 residues pruned to eliminate duplicates Z: 14 26.825 2.036 0.608 0.881 1.000 0.615 C 1.646 14 residues pruned to eliminate duplicates Z: 13 18.483 2.026 0.290 0.911 1.000 0.917 CB 1.446 13 residues pruned to eliminate duplicates Z: 49 26.480 2.049 0.678 0.441 0.854 0.521 CB 1.383 43 residues pruned to eliminate duplicates Z: 17 52.346 2.384 1.089 0.906 1.000 0.562 CA 1.868 17 residues pruned to eliminate duplicates Z: 13 25.263 2.099 0.608 0.897 1.000 0.833 CB 1.546 13 residues pruned to eliminate duplicates Z: 21 37.214 2.252 0.617 0.870 1.000 0.700 CB 1.669 21 residues pruned to eliminate duplicates Z: 22 18.834 1.941 0.609 0.655 0.905 0.667 CB 1.260 22 residues pruned to eliminate duplicates Z: 20 37.836 2.126 0.783 0.850 1.000 0.895 CA 1.695 20 residues pruned to eliminate duplicates Z: 23 34.507 2.231 0.376 0.831 1.000 0.773 CB 1.802 23 residues pruned to eliminate duplicates Z: 12 29.754 2.324 0.485 0.920 1.000 0.818 CB 1.830 12 residues pruned to eliminate duplicates Z: 97 59.547 2.288 0.535 0.582 0.927 0.615 CB 1.724 97 residues pruned to eliminate duplicates Z: 43 49.889 2.273 0.870 0.643 0.976 0.714 CB 1.623 43 residues pruned to eliminate duplicates Z: 97 62.236 2.237 0.652 0.654 0.938 0.635 CB 1.589 97 residues pruned to eliminate duplicates Z: 8 10.996 2.221 -0.126 0.855 1.000 0.714 CA 1.581 8 residues pruned to eliminate duplicates Z: 23 30.788 2.140 0.379 0.842 0.955 0.818 CB 1.736 23 residues pruned to eliminate duplicates Z: 16 15.882 2.279 0.827 0.282 0.867 0.533 CB 1.453 22 residues pruned to eliminate duplicates Z: 18 44.434 2.328 0.925 0.875 1.000 0.765 CB 1.749 18 residues pruned to eliminate duplicates Z: 74 59.907 2.378 0.652 0.595 0.959 0.685 CB 1.700 74 residues pruned to eliminate duplicates Z: 60 59.885 2.395 0.829 0.566 0.932 0.610 CB 1.791 60 residues pruned to eliminate duplicates Z: 11 28.858 2.388 0.616 0.826 1.000 0.900 CB 1.783 11 residues pruned to eliminate duplicates Z: 14 24.456 1.905 0.661 0.921 1.000 0.923 CB 1.508 14 residues pruned to eliminate duplicates Z: 14 28.377 1.911 0.905 0.899 1.000 0.615 C 1.544 14 residues pruned to eliminate duplicates Z: 13 27.285 2.164 0.685 0.875 1.000 0.750 CB 1.571 13 residues pruned to eliminate duplicates Z: 36 51.732 2.330 0.839 0.653 0.943 0.657 C 1.878 36 residues pruned to eliminate duplicates Z: 8 11.899 2.174 0.238 0.877 1.000 1.000 CB 1.213 8 residues pruned to eliminate duplicates Z: 13 26.230 2.053 0.761 0.905 1.000 1.000 C 1.490 13 residues pruned to eliminate duplicates Z: 23 28.322 2.174 0.312 0.796 0.955 0.636 CB 1.711 23 residues pruned to eliminate duplicates Z: 58 37.674 2.168 0.520 0.574 0.930 0.649 CB 1.517 58 residues pruned to eliminate duplicates Z: 6 4.848 1.905 0.327 0.444 0.800 0.400 CB 1.136 10 residues pruned to eliminate duplicates Z: 52 37.631 2.181 0.756 0.552 0.843 0.667 CB 1.550 52 residues pruned to eliminate duplicates Z: 12 17.228 2.129 0.128 0.925 1.000 1.000 CB 1.518 12 residues pruned to eliminate duplicates Z: 13 35.300 2.369 0.617 0.894 1.000 0.917 CA 1.909 13 residues pruned to eliminate duplicates Z: 14 20.786 2.071 0.419 0.868 0.923 0.769 CB 1.554 14 residues pruned to eliminate duplicates Z: 17 31.766 2.226 0.956 0.730 0.938 0.750 CB 1.582 17 residues pruned to eliminate duplicates Z: 14 18.341 2.004 0.319 0.781 1.000 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 12 28.666 2.173 0.840 0.896 1.000 0.909 CB 1.549 12 residues pruned to eliminate duplicates Z: 38 33.215 2.288 0.510 0.550 0.946 0.676 CB 1.591 38 residues pruned to eliminate duplicates Z: 13 36.730 2.373 0.670 0.918 1.000 0.917 CB 1.887 13 residues pruned to eliminate duplicates Z: 14 45.009 2.242 1.195 0.907 1.000 1.000 C 1.803 14 residues pruned to eliminate duplicates Z: 98 64.835 2.222 0.710 0.673 0.928 0.670 CB 1.591 98 residues pruned to eliminate duplicates Z: 11 18.197 2.069 0.319 0.892 1.000 0.800 CB 1.515 11 residues pruned to eliminate duplicates Z: 10 11.802 1.866 0.461 0.538 1.000 0.556 CB 1.390 10 residues pruned to eliminate duplicates Z: 12 17.686 1.857 0.661 0.844 0.909 0.727 C 1.415 12 residues pruned to eliminate duplicates Z: 7 8.254 2.018 0.674 0.322 0.833 0.333 CA 1.456 5 residues pruned to eliminate duplicates Z: 63 41.044 2.203 0.471 0.599 0.919 0.694 CB 1.592 63 residues pruned to eliminate duplicates Z: 12 16.133 2.069 0.252 0.925 1.000 1.000 CB 1.318 12 residues pruned to eliminate duplicates Z: 13 27.336 2.133 0.713 0.864 1.000 0.750 CB 1.583 13 residues pruned to eliminate duplicates Z: 45 43.192 2.313 0.491 0.629 1.000 0.705 CB 1.671 45 residues pruned to eliminate duplicates Z: 12 9.511 2.006 0.485 0.289 0.909 0.545 CB 1.341 12 residues pruned to eliminate duplicates Z: 12 10.998 2.070 0.401 0.422 0.818 0.545 CB 1.515 12 residues pruned to eliminate duplicates Z: 14 9.515 2.153 0.249 0.399 0.923 0.692 CB 1.183 14 residues pruned to eliminate duplicates Z: 12 45.382 2.388 1.169 0.929 1.000 0.818 CB 1.849 12 residues pruned to eliminate duplicates Z: 74 60.699 2.341 0.662 0.625 0.918 0.658 CB 1.767 74 residues pruned to eliminate duplicates Z: 43 51.603 2.359 0.865 0.604 0.952 0.619 CB 1.721 43 residues pruned to eliminate duplicates Z: 18 23.141 2.190 0.523 0.731 0.941 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 8 11.154 2.018 0.277 0.779 0.857 0.714 CB 1.493 8 residues pruned to eliminate duplicates Z: 36 37.563 2.198 0.792 0.598 0.886 0.600 CB 1.657 36 residues pruned to eliminate duplicates Z: 14 26.400 2.006 1.027 0.818 0.923 0.538 CB 1.480 14 residues pruned to eliminate duplicates Z: 18 16.062 2.031 0.220 0.580 1.000 0.941 CB 1.456 18 residues pruned to eliminate duplicates Z: 7 4.376 1.912 0.321 0.533 0.833 0.667 CB 0.822 7 residues pruned to eliminate duplicates Z: 40 26.802 2.155 0.620 0.470 0.897 0.667 CB 1.412 42 residues pruned to eliminate duplicates Z: 13 13.442 1.615 0.510 0.828 1.000 0.833 CB 1.199 13 residues pruned to eliminate duplicates Z: 98 63.523 2.216 0.761 0.643 0.918 0.691 CB 1.575 98 residues pruned to eliminate duplicates Z: 21 35.461 2.229 0.595 0.847 1.000 0.550 CB 1.656 21 residues pruned to eliminate duplicates Z: 12 14.961 1.711 0.545 0.897 1.000 0.727 CB 1.222 12 residues pruned to eliminate duplicates Z: 14 23.988 2.001 0.603 0.896 1.000 0.769 CB 1.485 14 residues pruned to eliminate duplicates Z: 86 65.215 2.282 0.620 0.632 0.929 0.600 CB 1.818 86 residues pruned to eliminate duplicates Z: 12 26.137 2.144 0.519 0.886 1.000 0.727 CA 1.745 12 residues pruned to eliminate duplicates Z: 33 27.579 2.244 0.472 0.540 0.875 0.656 CB 1.622 33 residues pruned to eliminate duplicates Z: 18 15.517 1.990 0.316 0.545 0.941 0.882 CB 1.461 18 residues pruned to eliminate duplicates Z: 9 15.463 2.076 0.512 0.835 0.875 0.375 CB 1.490 9 residues pruned to eliminate duplicates Z: 11 28.609 2.096 0.854 0.922 1.000 0.600 CB 1.637 11 residues pruned to eliminate duplicates Z: 18 27.169 2.170 0.528 0.682 1.000 0.706 CB 1.682 18 residues pruned to eliminate duplicates Z: 26 45.632 2.294 0.898 0.746 0.920 0.680 CB 1.829 26 residues pruned to eliminate duplicates Z: 22 34.166 2.167 0.592 0.837 1.000 0.476 CB 1.617 22 residues pruned to eliminate duplicates Z: 30 30.876 2.189 0.733 0.542 0.897 0.724 CB 1.618 30 residues pruned to eliminate duplicates Z: 74 42.999 2.193 0.494 0.582 0.932 0.685 CB 1.523 67 residues pruned to eliminate duplicates Z: 71 55.881 2.308 0.787 0.549 0.914 0.671 CB 1.688 71 residues pruned to eliminate duplicates Z: 12 12.861 2.118 0.646 0.402 0.909 0.727 CB 1.355 12 residues pruned to eliminate duplicates Z: 12 13.681 1.707 0.406 0.917 1.000 0.909 CB 1.213 12 residues pruned to eliminate duplicates Z: 11 12.689 2.100 0.472 0.431 0.900 0.700 CA 1.548 11 residues pruned to eliminate duplicates Z: 17 37.208 2.397 0.481 0.925 1.000 0.938 C 1.838 17 residues pruned to eliminate duplicates Z: 33 29.135 2.125 0.723 0.472 0.906 0.531 CB 1.598 33 residues pruned to eliminate duplicates Z: 6 11.370 1.995 0.303 0.869 1.000 1.000 C 1.429 6 residues pruned to eliminate duplicates Z: 13 14.230 1.671 0.494 0.914 1.000 0.917 CB 1.163 13 residues pruned to eliminate duplicates Z: 13 24.042 2.120 0.589 0.868 1.000 0.833 CB 1.507 13 residues pruned to eliminate duplicates Z: 9 13.950 1.900 0.527 0.886 1.000 0.625 CB 1.227 9 residues pruned to eliminate duplicates Z: 39 47.177 2.386 0.734 0.616 0.921 0.605 CB 1.800 39 residues pruned to eliminate duplicates Z: 14 25.998 2.034 0.794 0.887 1.000 1.000 CB 1.425 14 residues pruned to eliminate duplicates Z: 8 6.324 1.827 0.704 0.366 0.714 0.143 CB 1.241 8 residues pruned to eliminate duplicates Z: 38 47.384 2.343 0.659 0.754 0.946 0.757 CB 1.689 38 residues pruned to eliminate duplicates Z: 74 63.511 2.358 0.768 0.570 0.959 0.658 CB 1.738 74 residues pruned to eliminate duplicates Z: 13 30.992 2.306 0.613 0.840 1.000 0.833 CB 1.794 13 residues pruned to eliminate duplicates Z: 48 49.687 2.409 0.714 0.591 0.979 0.702 CB 1.644 48 residues pruned to eliminate duplicates Z: 19 36.299 2.213 0.752 0.837 0.944 0.833 CB 1.748 19 residues pruned to eliminate duplicates Z: 11 34.479 2.443 0.755 0.814 1.000 0.900 C 1.935 12 residues pruned to eliminate duplicates Z: 69 38.769 2.227 0.659 0.440 0.868 0.588 CB 1.560 69 residues pruned to eliminate duplicates Z: 78 53.858 2.283 0.683 0.552 0.935 0.662 CB 1.624 78 residues pruned to eliminate duplicates Z: 12 27.645 2.177 0.629 0.936 1.000 0.909 CB 1.636 12 residues pruned to eliminate duplicates Z: 12 22.811 2.231 0.365 0.881 1.000 0.909 CB 1.636 12 residues pruned to eliminate duplicates Z: 146 78.651 2.288 0.718 0.567 0.924 0.628 CB 1.685 146 residues pruned to eliminate duplicates Z: 8 11.651 2.001 0.255 0.763 1.000 0.714 CB 1.388 8 residues pruned to eliminate duplicates Z: 10 7.779 1.942 0.070 0.779 0.778 0.667 CA 1.254 10 residues pruned to eliminate duplicates Z: 42 32.169 2.220 0.425 0.574 0.902 0.683 CB 1.639 42 residues pruned to eliminate duplicates Z: 14 20.948 2.280 0.946 0.468 0.923 0.615 CB 1.465 14 residues pruned to eliminate duplicates Z: 13 19.532 2.090 0.623 0.658 0.917 0.667 CB 1.565 13 residues pruned to eliminate duplicates Z: 19 22.102 2.238 0.573 0.457 0.944 0.611 CB 1.637 19 residues pruned to eliminate duplicates Z: 44 47.327 2.352 0.899 0.556 0.930 0.605 CB 1.646 44 residues pruned to eliminate duplicates Z: 14 8.774 2.081 0.331 0.463 0.846 0.692 CB 1.078 14 residues pruned to eliminate duplicates Z: 16 22.215 2.118 0.355 0.730 1.000 0.867 CB 1.626 16 residues pruned to eliminate duplicates Z: 13 15.502 2.047 0.596 0.446 0.917 0.750 CB 1.579 14 residues pruned to eliminate duplicates Z: 10 14.510 1.844 0.602 0.908 1.000 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 9 16.492 2.085 0.581 0.657 1.000 1.000 C 1.528 9 residues pruned to eliminate duplicates Z: 9 9.127 2.047 0.731 0.327 0.875 0.375 CA 1.259 9 residues pruned to eliminate duplicates Z: 84 60.849 2.316 0.554 0.633 0.928 0.639 CB 1.764 84 residues pruned to eliminate duplicates Z: 13 8.333 2.088 0.348 0.451 0.917 0.500 CB 0.981 13 residues pruned to eliminate duplicates Z: 11 26.310 2.209 0.447 0.856 1.000 0.900 CA 1.920 11 residues pruned to eliminate duplicates Z: 13 29.900 2.120 1.043 0.831 1.000 0.583 CB 1.497 13 residues pruned to eliminate duplicates Z: 7 5.909 1.871 0.563 0.534 1.000 0.667 CB 0.798 7 residues pruned to eliminate duplicates Z: 6 3.508 1.905 0.391 0.166 0.800 0.800 CB 1.112 6 residues pruned to eliminate duplicates Z: 20 23.504 2.250 0.474 0.521 0.895 0.474 CB 1.778 20 residues pruned to eliminate duplicates Z: 8 7.405 1.575 0.115 0.841 1.000 0.714 CB 1.189 8 residues pruned to eliminate duplicates Z: 13 29.642 2.111 0.737 0.889 1.000 0.833 C 1.680 13 residues pruned to eliminate duplicates Z: 13 14.802 1.857 0.497 0.891 1.000 0.667 CB 1.105 13 residues pruned to eliminate duplicates Z: 6 10.463 1.758 0.609 0.760 1.000 0.600 CA 1.313 Z: 16 34.539 2.236 0.541 0.937 1.000 1.000 CA 1.801 16 residues pruned to eliminate duplicates Z: 7 3.456 1.853 0.008 0.406 0.833 0.500 CB 1.000 7 residues pruned to eliminate duplicates Z: 83 48.920 2.194 0.575 0.637 0.902 0.695 CB 1.524 83 residues pruned to eliminate duplicates Z: 8 18.013 2.097 0.750 0.601 1.000 0.571 CA 1.685 8 residues pruned to eliminate duplicates Z: 10 10.215 1.915 0.104 0.801 0.889 0.667 CA 1.393 10 residues pruned to eliminate duplicates Z: 11 19.881 2.047 0.487 0.898 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 6 6.186 1.843 0.276 0.395 1.000 0.400 CB 1.314 6 residues pruned to eliminate duplicates Z: 28 21.665 1.995 0.832 0.470 0.926 0.519 CB 1.270 28 residues pruned to eliminate duplicates Z: 11 19.447 1.979 0.674 0.780 1.000 0.900 CB 1.450 11 residues pruned to eliminate duplicates Z: 6 5.224 1.676 0.635 0.342 0.800 0.800 N 1.266 6 residues pruned to eliminate duplicates Z: 7 15.117 2.085 0.490 0.903 1.000 0.667 CB 1.416 7 residues pruned to eliminate duplicates Z: 13 24.412 2.131 0.428 0.931 1.000 1.000 CA 1.618 13 residues pruned to eliminate duplicates Z: 6 8.516 1.985 0.516 0.694 0.800 0.400 CB 1.324 6 residues pruned to eliminate duplicates Z: 18 26.579 2.372 0.681 0.551 0.882 0.706 CB 1.744 18 residues pruned to eliminate duplicates Z: 10 12.984 1.983 0.107 0.869 1.000 0.889 CA 1.440 10 residues pruned to eliminate duplicates Z: 10 12.213 2.091 0.008 0.818 1.000 0.667 CB 1.466 10 residues pruned to eliminate duplicates Z: 13 30.579 2.337 0.567 0.834 1.000 0.750 CB 1.807 13 residues pruned to eliminate duplicates Z: 12 19.302 1.943 0.608 0.835 0.909 0.636 CB 1.535 12 residues pruned to eliminate duplicates Z: 10 20.505 2.208 0.513 0.870 1.000 0.556 CA 1.493 10 residues pruned to eliminate duplicates Z: 13 37.886 2.365 0.746 0.937 1.000 1.000 CB 1.843 13 residues pruned to eliminate duplicates Z: 98 54.299 2.246 0.504 0.577 0.907 0.608 CB 1.671 98 residues pruned to eliminate duplicates Z: 27 40.495 2.309 0.877 0.664 0.885 0.769 CB 1.779 27 residues pruned to eliminate duplicates Z: 17 58.325 2.438 1.148 0.904 1.000 0.625 CA 1.982 17 residues pruned to eliminate duplicates Z: 10 14.378 2.013 0.223 0.768 1.000 0.556 CA 1.536 10 residues pruned to eliminate duplicates Z: 13 15.028 1.971 0.154 0.865 1.000 0.917 CB 1.396 13 residues pruned to eliminate duplicates Z: 12 12.826 1.667 0.308 0.918 1.000 0.909 CB 1.251 12 residues pruned to eliminate duplicates Z: 31 41.980 2.314 0.479 0.714 1.000 0.600 CA 1.845 31 residues pruned to eliminate duplicates Z: 13 9.922 1.941 0.560 0.363 0.833 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 23 26.309 2.295 0.439 0.611 0.955 0.727 CB 1.601 23 residues pruned to eliminate duplicates Z: 10 11.959 1.924 0.166 0.808 0.889 0.667 CA 1.529 10 residues pruned to eliminate duplicates Z: 85 61.961 2.309 0.532 0.644 0.964 0.631 CB 1.733 85 residues pruned to eliminate duplicates Z: 32 24.607 2.067 0.522 0.540 0.903 0.677 CB 1.495 32 residues pruned to eliminate duplicates Z: 15 33.945 2.196 0.987 0.834 0.929 0.786 CB 1.678 15 residues pruned to eliminate duplicates Z: 60 46.550 2.316 0.472 0.614 0.915 0.644 CB 1.744 60 residues pruned to eliminate duplicates Z: 11 19.210 1.954 0.617 0.883 1.000 0.700 CB 1.390 11 residues pruned to eliminate duplicates Z: 8 12.666 1.863 0.648 0.867 1.000 0.857 CB 1.140 8 residues pruned to eliminate duplicates Z: 37 40.896 2.377 0.476 0.595 0.944 0.694 CB 1.878 37 residues pruned to eliminate duplicates Z: 102 61.079 2.264 0.609 0.584 0.941 0.644 CB 1.636 102 residues pruned to eliminate duplicates Z: 27 17.714 2.098 0.338 0.464 0.923 0.808 CB 1.390 27 residues pruned to eliminate duplicates Z: 34 39.029 2.290 0.563 0.581 0.970 0.545 CB 1.812 34 residues pruned to eliminate duplicates Z: 29 30.209 2.167 0.770 0.472 0.964 0.571 CB 1.588 31 residues pruned to eliminate duplicates Z: 19 15.049 2.044 0.237 0.608 0.889 0.833 CB 1.424 19 residues pruned to eliminate duplicates Z: 14 14.937 2.187 0.432 0.463 0.846 0.538 CA 1.624 14 residues pruned to eliminate duplicates Z: 50 33.874 2.151 0.410 0.655 0.878 0.694 CB 1.573 50 residues pruned to eliminate duplicates Z: 35 52.606 2.304 0.895 0.692 0.941 0.706 CB 1.841 35 residues pruned to eliminate duplicates Z: 12 18.287 2.095 0.411 0.939 1.000 1.000 CB 1.297 12 residues pruned to eliminate duplicates Z: 21 20.581 1.957 0.663 0.567 0.900 0.600 CB 1.472 21 residues pruned to eliminate duplicates Z: 51 47.469 2.238 0.863 0.554 0.920 0.620 CB 1.661 51 residues pruned to eliminate duplicates Z: 9 12.863 2.084 1.121 0.342 0.750 0.375 CB 1.630 9 residues pruned to eliminate duplicates Z: 22 25.921 2.241 0.690 0.477 0.905 0.571 CB 1.690 22 residues pruned to eliminate duplicates Z: 23 36.273 2.153 0.962 0.646 0.909 0.727 C 1.757 23 residues pruned to eliminate duplicates Z: 18 42.618 2.319 1.022 0.847 0.882 0.824 CB 1.855 18 residues pruned to eliminate duplicates Z: 75 47.243 2.195 0.613 0.590 0.932 0.784 CB 1.526 88 residues pruned to eliminate duplicates Z: 10 18.161 2.245 0.686 0.457 1.000 0.667 CB 1.672 10 residues pruned to eliminate duplicates Z: 13 7.553 2.123 0.254 0.376 0.833 0.583 CB 1.122 Z: 80 47.747 2.245 0.573 0.563 0.848 0.608 CB 1.687 80 residues pruned to eliminate duplicates Z: 25 33.236 2.131 0.542 0.755 0.958 0.667 CB 1.716 25 residues pruned to eliminate duplicates Z: 39 44.080 2.331 0.725 0.576 0.947 0.658 CB 1.743 39 residues pruned to eliminate duplicates Z: 9 33.849 2.426 1.203 0.666 1.000 0.875 CB 1.920 9 residues pruned to eliminate duplicates Z: 104 55.033 2.246 0.517 0.580 0.893 0.621 CB 1.650 104 residues pruned to eliminate duplicates Z: 8 9.337 2.091 0.284 0.719 0.714 0.714 CA 1.509 8 residues pruned to eliminate duplicates Z: 52 45.994 2.309 0.683 0.540 0.922 0.686 CB 1.729 52 residues pruned to eliminate duplicates Z: 39 25.637 2.046 0.499 0.638 0.895 0.632 CB 1.332 39 residues pruned to eliminate duplicates Z: 114 71.720 2.228 0.763 0.623 0.938 0.637 CB 1.631 126 residues pruned to eliminate duplicates Z: 16 49.539 2.174 1.334 0.883 1.000 0.600 CA 1.823 16 residues pruned to eliminate duplicates Z: 36 35.673 2.253 0.704 0.552 0.914 0.600 CB 1.633 36 residues pruned to eliminate duplicates Z: 42 38.347 2.214 0.560 0.604 1.000 0.683 CB 1.570 42 residues pruned to eliminate duplicates Z: 39 46.589 2.228 0.685 0.684 0.947 0.711 CB 1.795 44 residues pruned to eliminate duplicates Z: 10 19.992 2.171 0.283 0.896 1.000 0.889 CA 1.714 10 residues pruned to eliminate duplicates Z: 17 5.227 1.628 0.198 0.290 0.875 0.312 CB 0.970 16 residues pruned to eliminate duplicates Z: 34 47.456 2.407 0.914 0.599 0.939 0.667 CB 1.737 34 residues pruned to eliminate duplicates Z: 10 20.127 2.071 0.484 0.859 1.000 0.778 CB 1.607 10 residues pruned to eliminate duplicates Z: 9 3.270 1.544 0.703 0.267 0.625 0.500 CB 0.917 9 residues pruned to eliminate duplicates Z: 15 16.567 2.155 0.500 0.362 0.929 0.500 CB 1.711 15 residues pruned to eliminate duplicates Z: 10 16.046 1.754 0.736 0.874 1.000 0.556 CB 1.279 10 residues pruned to eliminate duplicates Z: 41 46.087 2.303 0.688 0.582 0.950 0.725 C 1.825 41 residues pruned to eliminate duplicates Z: 11 18.769 1.938 0.494 0.900 1.000 0.600 CB 1.464 11 residues pruned to eliminate duplicates Z: 7 3.646 1.122 0.641 0.738 1.000 0.667 CB 0.653 Z: 17 12.782 1.839 0.310 0.506 0.875 0.500 CB 1.508 11 residues pruned to eliminate duplicates Z: 16 22.672 2.114 0.503 0.653 1.000 0.800 CB 1.598 16 residues pruned to eliminate duplicates Z: 95 64.502 2.306 0.590 0.620 0.947 0.660 CB 1.711 95 residues pruned to eliminate duplicates Z: 9 15.613 2.249 0.093 0.910 1.000 1.000 CA 1.593 9 residues pruned to eliminate duplicates Z: 67 56.701 2.256 0.605 0.646 0.955 0.682 CB 1.762 67 residues pruned to eliminate duplicates Z: 9 24.322 2.344 0.831 0.653 1.000 0.875 C 1.737 9 residues pruned to eliminate duplicates Z: 84 61.750 2.345 0.761 0.523 0.928 0.663 CB 1.728 84 residues pruned to eliminate duplicates Z: 17 9.919 1.774 0.363 0.556 0.938 0.500 CB 1.035 13 residues pruned to eliminate duplicates Z: 23 35.467 2.159 1.092 0.566 0.955 0.500 CA 1.646 23 residues pruned to eliminate duplicates Z: 6 11.557 1.710 0.884 0.787 1.000 0.400 CB 1.246 6 1.450 1.314 0.368 0.164 0.600 0.200 C 0.906 ? Z: 14 30.098 2.215 0.625 0.905 1.000 0.923 CB 1.650 14 residues pruned to eliminate duplicates Z: 12 12.927 2.124 0.388 0.437 0.909 0.727 CA 1.551 12 residues pruned to eliminate duplicates Z: 105 76.553 2.375 0.840 0.554 0.942 0.663 CB 1.729 105 residues pruned to eliminate duplicates Z: 97 60.884 2.191 0.681 0.661 0.938 0.646 CB 1.551 97 residues pruned to eliminate duplicates Z: 7 8.425 1.804 0.378 0.791 0.833 0.667 CB 1.286 7 residues pruned to eliminate duplicates Z: 47 45.242 2.269 0.677 0.602 0.913 0.609 CB 1.742 47 residues pruned to eliminate duplicates Z: 95 60.823 2.160 0.731 0.672 0.926 0.691 CB 1.548 95 residues pruned to eliminate duplicates Z: 38 40.109 2.287 0.815 0.517 0.946 0.541 CB 1.651 38 residues pruned to eliminate duplicates Z: 20 16.242 1.999 0.589 0.654 0.842 0.737 CB 1.207 20 residues pruned to eliminate duplicates Z: 21 38.575 2.331 0.476 0.841 1.000 0.800 CB 1.869 21 residues pruned to eliminate duplicates Z: 15 15.780 2.016 0.401 0.551 0.929 0.643 C 1.531 15 residues pruned to eliminate duplicates Z: 26 28.386 2.090 0.605 0.600 0.960 0.760 CB 1.603 26 residues pruned to eliminate duplicates Z: 32 47.591 2.336 0.925 0.621 0.968 0.645 CB 1.752 32 residues pruned to eliminate duplicates Z: 16 47.276 2.123 1.344 0.877 1.000 0.533 C 1.782 16 residues pruned to eliminate duplicates Z: 11 13.330 1.993 0.800 0.531 1.000 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 7 2.702 1.321 0.556 0.288 0.833 0.500 CB 0.817 Z: 76 46.017 2.134 0.617 0.552 0.893 0.587 CB 1.638 76 residues pruned to eliminate duplicates Z: 12 11.885 1.595 0.400 0.886 1.000 0.818 CB 1.157 Z: 6 7.605 2.028 0.461 0.299 1.000 0.600 CB 1.436 6 residues pruned to eliminate duplicates 7 1.466 1.517 -0.337 0.233 1.000 0.833 CB 0.811 ? Z: 10 7.998 2.093 0.178 0.496 0.889 0.778 CB 1.221 11 residues pruned to eliminate duplicates Z: 19 38.017 2.273 1.010 0.677 0.944 0.722 CA 1.764 19 residues pruned to eliminate duplicates Z: 37 53.050 2.322 0.821 0.650 0.972 0.667 CA 1.870 34 residues pruned to eliminate duplicates Z: 53 44.472 2.306 0.492 0.544 0.962 0.577 CB 1.786 53 residues pruned to eliminate duplicates Z: 29 31.314 2.216 0.735 0.554 1.000 0.750 CB 1.460 29 residues pruned to eliminate duplicates Z: 82 61.696 2.328 0.589 0.634 0.926 0.728 CB 1.766 82 residues pruned to eliminate duplicates Z: 29 17.152 2.086 0.369 0.445 0.857 0.679 CB 1.401 29 residues pruned to eliminate duplicates Z: 11 16.879 2.233 0.057 0.817 1.000 0.900 CB 1.717 11 residues pruned to eliminate duplicates Z: 6 3.686 2.042 0.456 0.345 0.600 0.400 CB 1.094 6 residues pruned to eliminate duplicates Z: 10 19.559 2.071 0.769 0.835 0.889 0.444 C 1.499 10 residues pruned to eliminate duplicates Z: 19 36.268 2.219 0.588 0.846 1.000 0.722 CA 1.803 19 residues pruned to eliminate duplicates Z: 28 44.325 2.326 1.103 0.608 0.926 0.667 CB 1.700 28 residues pruned to eliminate duplicates Z: 14 19.266 2.005 0.484 0.794 1.000 0.769 CB 1.388 14 residues pruned to eliminate duplicates Z: 6 7.102 1.747 0.373 0.701 1.000 0.600 CA 1.103 6 residues pruned to eliminate duplicates Z: 15 13.747 2.101 -0.052 0.711 1.000 0.857 CB 1.523 15 residues pruned to eliminate duplicates Z: 15 39.283 2.192 0.996 0.932 1.000 0.786 CB 1.676 15 residues pruned to eliminate duplicates Z: 12 19.298 1.902 0.477 0.831 1.000 0.727 CB 1.556 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.910 1.832 0.220 0.447 1.000 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 14 8.388 2.010 0.440 0.341 0.846 0.538 CB 1.130 14 residues pruned to eliminate duplicates Z: 15 9.661 2.112 0.499 0.380 0.857 0.643 CB 1.082 15 residues pruned to eliminate duplicates Z: 6 6.650 1.639 0.874 0.351 1.000 0.600 CA 1.137 6 residues pruned to eliminate duplicates Z: 15 8.858 2.119 0.349 0.399 0.857 0.571 CB 1.075 15 residues pruned to eliminate duplicates Z: 12 9.998 2.192 0.439 0.358 0.909 0.545 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 11.308 2.104 0.597 0.382 0.917 0.667 CB 1.203 13 residues pruned to eliminate duplicates Z: 17 8.282 1.939 0.362 0.399 0.938 0.562 CB 0.930 16 residues pruned to eliminate duplicates Z: 13 38.949 2.247 1.164 0.920 1.000 0.833 CB 1.628 13 residues pruned to eliminate duplicates Z: 84 61.517 2.334 0.564 0.636 0.916 0.675 CB 1.778 84 residues pruned to eliminate duplicates Z: 35 44.097 2.240 0.755 0.779 0.941 0.794 CB 1.598 35 residues pruned to eliminate duplicates Z: 97 61.354 2.322 0.570 0.589 0.906 0.677 CB 1.741 97 residues pruned to eliminate duplicates Z: 38 39.637 2.191 0.692 0.708 0.946 0.730 CB 1.538 38 residues pruned to eliminate duplicates Z: 84 63.250 2.332 0.591 0.653 0.916 0.723 CB 1.772 84 residues pruned to eliminate duplicates Z: 48 36.428 2.178 0.529 0.581 0.894 0.638 CB 1.651 48 residues pruned to eliminate duplicates Z: 85 61.839 2.291 0.589 0.633 0.929 0.690 CB 1.762 85 residues pruned to eliminate duplicates Z: 35 42.862 2.237 0.726 0.732 0.941 0.765 CB 1.641 35 residues pruned to eliminate duplicates Z: 114 72.423 2.268 0.696 0.605 0.929 0.628 CB 1.726 114 residues pruned to eliminate duplicates Z: 52 52.441 2.339 0.623 0.674 0.961 0.706 CB 1.715 52 residues pruned to eliminate duplicates Z: 85 63.323 2.312 0.674 0.645 0.905 0.690 CB 1.724 85 residues pruned to eliminate duplicates Z: 26 26.515 2.175 0.609 0.613 0.840 0.720 CB 1.620 26 residues pruned to eliminate duplicates Z: 54 43.725 2.207 0.685 0.654 0.906 0.660 CB 1.545 54 residues pruned to eliminate duplicates Z: 53 47.206 2.277 0.624 0.649 0.923 0.673 CB 1.669 53 residues pruned to eliminate duplicates Z: 27 17.868 1.896 0.477 0.467 0.923 0.615 CB 1.401 27 residues pruned to eliminate duplicates Z: 52 46.919 2.325 0.519 0.659 0.941 0.667 CB 1.706 52 residues pruned to eliminate duplicates Z: 102 60.400 2.308 0.605 0.574 0.891 0.634 CB 1.695 102 residues pruned to eliminate duplicates Z: 115 69.421 2.285 0.670 0.601 0.921 0.649 CB 1.681 115 residues pruned to eliminate duplicates Z: 97 71.795 2.320 0.658 0.652 0.917 0.698 CB 1.804 97 residues pruned to eliminate duplicates Z: 84 65.624 2.331 0.687 0.639 0.904 0.639 CB 1.779 84 residues pruned to eliminate duplicates Z: 97 71.726 2.304 0.685 0.652 0.927 0.698 CB 1.766 97 residues pruned to eliminate duplicates Z: 84 61.504 2.329 0.554 0.640 0.928 0.687 CB 1.764 84 residues pruned to eliminate duplicates Z: 99 71.298 2.319 0.639 0.677 0.918 0.653 CB 1.753 99 residues pruned to eliminate duplicates Z: 83 62.661 2.349 0.559 0.651 0.927 0.683 CB 1.772 83 residues pruned to eliminate duplicates Z: 100 71.149 2.263 0.716 0.656 0.939 0.697 CB 1.695 100 residues pruned to eliminate duplicates Z: 41 46.317 2.293 0.668 0.674 0.950 0.750 CB 1.717 41 residues pruned to eliminate duplicates Z: 88 61.718 2.319 0.611 0.583 0.954 0.609 CB 1.714 88 residues pruned to eliminate duplicates Z: 132 70.386 2.275 0.658 0.556 0.916 0.626 CB 1.685 132 residues pruned to eliminate duplicates Z: 48 42.100 2.247 0.647 0.592 0.894 0.723 CB 1.701 48 residues pruned to eliminate duplicates Z: 108 57.813 2.256 0.613 0.584 0.869 0.617 CB 1.630 108 residues pruned to eliminate duplicates Z: 14 11.945 1.964 0.759 0.274 0.846 0.538 CB 1.465 14 residues pruned to eliminate duplicates Z: 33 21.450 2.053 0.367 0.481 0.938 0.562 CB 1.468 33 residues pruned to eliminate duplicates Z: 17 15.085 2.039 0.766 0.374 1.000 0.500 CB 1.198 17 residues pruned to eliminate duplicates Z: 16 10.825 1.989 0.425 0.200 0.933 0.533 CB 1.509 16 residues pruned to eliminate duplicates Z: 97 60.403 2.290 0.552 0.582 0.917 0.677 CB 1.749 97 residues pruned to eliminate duplicates Z: 11 10.045 2.091 0.655 0.287 0.800 0.400 CB 1.457 11 residues pruned to eliminate duplicates Z: 13 10.639 2.062 0.509 0.258 0.833 0.583 CB 1.563 13 residues pruned to eliminate duplicates Z: 57 41.445 2.201 0.692 0.566 0.929 0.661 CB 1.502 57 residues pruned to eliminate duplicates Z: 53 43.830 2.247 0.723 0.590 0.942 0.654 CB 1.528 53 residues pruned to eliminate duplicates Z: 14 10.556 2.054 0.573 0.240 0.923 0.538 CB 1.327 14 residues pruned to eliminate duplicates Z: 100 59.846 2.315 0.565 0.584 0.919 0.646 CB 1.666 100 residues pruned to eliminate duplicates Z: 47 41.099 2.324 0.602 0.580 0.935 0.609 CB 1.611 47 residues pruned to eliminate duplicates Z: 80 54.479 2.321 0.639 0.541 0.924 0.633 CB 1.675 80 residues pruned to eliminate duplicates Z: 98 60.724 2.296 0.700 0.559 0.907 0.608 CB 1.644 98 residues pruned to eliminate duplicates Z: 60 50.471 2.372 0.684 0.547 0.915 0.559 CB 1.717 60 residues pruned to eliminate duplicates Z: 74 56.333 2.380 0.577 0.571 0.959 0.616 CB 1.712 74 residues pruned to eliminate duplicates Z: 75 57.217 2.357 0.600 0.573 0.946 0.689 CB 1.738 75 residues pruned to eliminate duplicates Z: 42 21.630 2.071 0.506 0.404 0.878 0.537 CB 1.364 42 residues pruned to eliminate duplicates Z: 61 47.959 2.326 0.624 0.543 0.950 0.583 CB 1.653 61 residues pruned to eliminate duplicates Z: 45 46.407 2.384 0.653 0.551 0.955 0.705 CB 1.769 45 residues pruned to eliminate duplicates Z: 75 59.299 2.355 0.744 0.552 0.932 0.622 CB 1.710 75 residues pruned to eliminate duplicates Z: 25 35.247 2.281 0.812 0.591 1.000 0.708 CB 1.595 25 residues pruned to eliminate duplicates Z: 46 44.972 2.433 0.643 0.577 0.911 0.667 CB 1.709 46 residues pruned to eliminate duplicates Z: 61 41.941 2.303 0.566 0.485 0.933 0.650 CB 1.634 61 residues pruned to eliminate duplicates Z: 61 58.119 2.379 0.832 0.547 0.933 0.583 CB 1.762 61 residues pruned to eliminate duplicates Z: 106 54.934 2.266 0.560 0.518 0.933 0.657 CB 1.596 106 residues pruned to eliminate duplicates Z: 60 50.935 2.370 0.662 0.550 0.932 0.627 CB 1.720 60 residues pruned to eliminate duplicates Z: 14 26.052 2.331 0.479 0.735 1.000 0.769 CB 1.698 14 residues pruned to eliminate duplicates Z: 74 55.025 2.340 0.589 0.574 0.959 0.699 CB 1.682 74 residues pruned to eliminate duplicates Z: 110 63.640 2.309 0.646 0.539 0.936 0.679 CB 1.650 110 residues pruned to eliminate duplicates Z: 50 46.533 2.322 0.755 0.548 0.959 0.653 CB 1.622 50 residues pruned to eliminate duplicates Z: 63 44.614 2.322 0.762 0.476 0.903 0.613 CB 1.571 63 residues pruned to eliminate duplicates Z: 41 48.266 2.447 0.666 0.614 0.950 0.725 CB 1.768 41 residues pruned to eliminate duplicates Z: 76 56.401 2.336 0.637 0.557 0.947 0.720 CB 1.702 76 residues pruned to eliminate duplicates Z: 64 47.380 2.339 0.672 0.546 0.905 0.667 CB 1.613 64 residues pruned to eliminate duplicates Z: 46 47.379 2.428 0.640 0.585 0.933 0.756 CB 1.752 46 residues pruned to eliminate duplicates Z: 39 34.400 2.334 0.717 0.455 0.921 0.553 CB 1.582 39 residues pruned to eliminate duplicates Z: 47 50.713 2.420 0.687 0.580 0.978 0.674 CB 1.733 47 residues pruned to eliminate duplicates Z: 73 61.112 2.384 0.688 0.567 0.972 0.653 CB 1.725 73 residues pruned to eliminate duplicates Z: 78 53.914 2.347 0.611 0.537 0.922 0.662 CB 1.699 78 residues pruned to eliminate duplicates Z: 74 61.343 2.361 0.739 0.548 0.959 0.603 CB 1.739 74 residues pruned to eliminate duplicates Z: 47 49.249 2.371 0.858 0.559 0.935 0.565 CB 1.665 47 residues pruned to eliminate duplicates Z: 46 54.051 2.442 0.773 0.572 0.978 0.689 CB 1.776 46 residues pruned to eliminate duplicates Z: 77 56.287 2.328 0.721 0.536 0.921 0.645 CB 1.689 77 residues pruned to eliminate duplicates Z: 89 56.560 2.331 0.696 0.504 0.920 0.648 CB 1.650 89 residues pruned to eliminate duplicates Z: 26 38.007 2.349 0.920 0.605 0.920 0.640 CB 1.659 26 residues pruned to eliminate duplicates Z: 48 48.850 2.365 0.675 0.561 0.979 0.660 CB 1.732 48 residues pruned to eliminate duplicates Z: 75 56.054 2.332 0.659 0.556 0.946 0.635 CB 1.686 75 residues pruned to eliminate duplicates Z: 175 83.333 2.327 0.595 0.559 0.943 0.672 CB 1.705 175 residues pruned to eliminate duplicates Z: 61 43.279 2.276 0.728 0.482 0.883 0.533 CB 1.638 61 residues pruned to eliminate duplicates Z: 47 55.208 2.388 0.864 0.566 1.000 0.674 CB 1.715 47 residues pruned to eliminate duplicates Z: 59 59.275 2.431 0.734 0.569 0.966 0.724 CB 1.789 59 residues pruned to eliminate duplicates Z: 48 47.673 2.341 0.769 0.549 0.957 0.617 CB 1.673 48 residues pruned to eliminate duplicates Z: 60 54.161 2.353 0.795 0.558 0.898 0.627 CB 1.756 60 residues pruned to eliminate duplicates Z: 33 45.178 2.433 0.911 0.515 0.938 0.594 CB 1.805 33 residues pruned to eliminate duplicates Z: 48 45.944 2.347 0.709 0.556 0.915 0.723 CB 1.728 48 residues pruned to eliminate duplicates Z: 46 58.992 2.422 0.868 0.609 1.000 0.689 CB 1.752 46 residues pruned to eliminate duplicates Z: 75 59.661 2.365 0.722 0.581 0.946 0.649 CB 1.665 75 residues pruned to eliminate duplicates Z: 45 44.592 2.405 0.871 0.522 0.886 0.659 CB 1.649 45 residues pruned to eliminate duplicates Z: 76 51.495 2.320 0.642 0.548 0.920 0.653 CB 1.618 76 residues pruned to eliminate duplicates Z: 17 22.294 2.192 0.691 0.543 0.875 0.812 CB 1.647 17 residues pruned to eliminate duplicates Z: 75 60.387 2.337 0.695 0.577 0.959 0.689 CB 1.715 75 residues pruned to eliminate duplicates Z: 35 35.190 2.291 0.690 0.537 0.882 0.676 CB 1.703 35 residues pruned to eliminate duplicates Z: 36 37.775 2.294 0.727 0.547 0.914 0.743 CB 1.683 36 residues pruned to eliminate duplicates Z: 57 60.017 2.423 0.873 0.585 0.946 0.589 CB 1.722 57 residues pruned to eliminate duplicates Z: 34 39.388 2.364 0.610 0.581 0.939 0.758 CB 1.774 34 residues pruned to eliminate duplicates Z: 29 39.188 2.279 0.817 0.575 0.964 0.750 CB 1.726 29 residues pruned to eliminate duplicates Z: 21 26.129 2.274 0.672 0.483 0.850 0.650 CB 1.839 21 residues pruned to eliminate duplicates Z: 87 56.340 2.314 0.723 0.504 0.942 0.605 CB 1.611 87 residues pruned to eliminate duplicates Z: 33 33.445 2.257 0.717 0.512 0.906 0.688 CB 1.663 33 residues pruned to eliminate duplicates Z: 35 39.797 2.331 0.752 0.541 0.941 0.706 CB 1.706 35 residues pruned to eliminate duplicates Z: 19 23.960 2.143 0.460 0.563 1.000 0.778 CB 1.698 19 residues pruned to eliminate duplicates Z: 28 28.249 2.224 0.523 0.546 0.889 0.704 CB 1.725 28 residues pruned to eliminate duplicates Z: 19 24.367 2.161 0.578 0.556 0.944 0.722 CB 1.688 19 residues pruned to eliminate duplicates Z: 74 63.562 2.383 0.803 0.567 0.932 0.616 CB 1.741 74 residues pruned to eliminate duplicates Z: 60 57.092 2.390 0.766 0.558 0.966 0.661 CB 1.722 60 residues pruned to eliminate duplicates Z: 35 38.805 2.357 0.720 0.558 0.941 0.794 CB 1.650 35 residues pruned to eliminate duplicates Z: 36 37.661 2.360 0.744 0.542 0.886 0.686 CB 1.676 36 residues pruned to eliminate duplicates Z: 18 23.054 2.230 0.454 0.584 0.941 0.765 CB 1.691 18 residues pruned to eliminate duplicates Z: 62 55.898 2.345 0.834 0.544 0.967 0.639 CB 1.648 62 residues pruned to eliminate duplicates Z: 176 81.931 2.313 0.624 0.569 0.914 0.651 CB 1.686 176 residues pruned to eliminate duplicates Z: 29 35.776 2.339 0.694 0.549 0.929 0.714 CB 1.752 29 residues pruned to eliminate duplicates Z: 29 35.125 2.291 0.741 0.549 0.929 0.714 CB 1.708 29 residues pruned to eliminate duplicates Z: 75 60.571 2.339 0.745 0.586 0.932 0.649 CB 1.703 75 residues pruned to eliminate duplicates Z: 37 34.890 2.304 0.751 0.531 0.861 0.611 CB 1.624 37 residues pruned to eliminate duplicates Z: 25 28.976 2.261 0.786 0.442 0.917 0.625 CB 1.696 25 residues pruned to eliminate duplicates Z: 82 62.553 2.354 0.735 0.548 0.963 0.654 CB 1.686 82 residues pruned to eliminate duplicates Z: 82 63.384 2.377 0.738 0.542 0.951 0.691 CB 1.722 82 residues pruned to eliminate duplicates Z: 119 79.067 2.355 0.790 0.551 0.949 0.619 CB 1.730 119 residues pruned to eliminate duplicates Z: 48 51.384 2.301 0.848 0.555 0.936 0.617 CB 1.784 48 residues pruned to eliminate duplicates Z: 48 48.251 2.307 0.764 0.554 0.915 0.617 CB 1.792 48 residues pruned to eliminate duplicates Z: 81 63.964 2.364 0.797 0.543 0.938 0.700 CB 1.722 81 residues pruned to eliminate duplicates Z: 14 18.269 2.112 1.089 0.297 0.846 0.692 CA 1.704 14 residues pruned to eliminate duplicates Z: 70 53.759 2.357 0.709 0.488 0.928 0.609 CB 1.752 70 residues pruned to eliminate duplicates Z: 43 48.005 2.349 0.742 0.558 0.929 0.571 CB 1.844 43 residues pruned to eliminate duplicates Z: 48 47.551 2.285 0.781 0.520 0.915 0.574 CB 1.826 48 residues pruned to eliminate duplicates Z: 79 64.234 2.365 0.791 0.529 0.936 0.615 CB 1.782 79 residues pruned to eliminate duplicates Z: 40 51.404 2.347 0.818 0.593 0.949 0.564 CB 1.860 40 residues pruned to eliminate duplicates Z: 39 49.040 2.350 0.751 0.624 0.947 0.684 CB 1.816 39 residues pruned to eliminate duplicates Z: 40 51.199 2.308 0.979 0.598 0.923 0.564 CB 1.771 40 residues pruned to eliminate duplicates Z: 35 53.285 2.452 0.776 0.652 0.941 0.676 CB 1.935 35 residues pruned to eliminate duplicates Z: 41 55.486 2.397 1.020 0.593 0.925 0.650 CB 1.793 41 residues pruned to eliminate duplicates Z: 136 72.511 2.336 0.791 0.513 0.896 0.615 CB 1.643 136 residues pruned to eliminate duplicates Z: 41 46.345 2.290 0.820 0.589 0.925 0.625 CB 1.746 41 residues pruned to eliminate duplicates Z: 40 39.650 2.253 0.927 0.498 0.872 0.487 CB 1.681 40 residues pruned to eliminate duplicates Z: 148 87.167 2.346 0.701 0.603 0.912 0.633 CB 1.792 37 residues pruned to eliminate duplicates Z: 17 56.134 2.543 1.092 0.866 1.000 0.812 CB 1.931 17 residues pruned to eliminate duplicates Z: 137 86.347 2.328 0.651 0.644 0.949 0.676 CB 1.775 98 residues pruned to eliminate duplicates Z: 18 53.132 2.443 1.046 0.867 1.000 0.882 CB 1.886 18 residues pruned to eliminate duplicates Z: 42 49.428 2.298 0.932 0.559 0.951 0.512 CB 1.726 42 residues pruned to eliminate duplicates Z: 38 56.663 2.314 0.939 0.657 1.000 0.622 CB 1.795 38 residues pruned to eliminate duplicates Z: 41 53.113 2.395 0.916 0.580 0.950 0.600 CB 1.783 38 residues pruned to eliminate duplicates Z: 18 53.734 2.426 1.045 0.886 1.000 0.824 CB 1.896 18 residues pruned to eliminate duplicates Z: 95 71.624 2.352 0.699 0.605 0.936 0.606 CB 1.787 95 residues pruned to eliminate duplicates Z: 42 52.229 2.336 0.951 0.576 0.902 0.610 CB 1.844 42 residues pruned to eliminate duplicates Z: 120 77.747 2.370 0.760 0.540 0.933 0.605 CB 1.761 120 residues pruned to eliminate duplicates Z: 77 56.109 2.278 0.858 0.468 0.921 0.566 CB 1.706 38 residues pruned to eliminate duplicates Z: 6 2.335 1.393 0.321 0.276 1.000 0.400 CB 0.731 6 residues pruned to eliminate duplicates Z: 39 53.689 2.382 0.985 0.593 0.921 0.526 CB 1.830 39 residues pruned to eliminate duplicates Z: 47 61.711 2.392 0.929 0.573 0.978 0.630 CB 1.878 47 residues pruned to eliminate duplicates Z: 39 52.020 2.378 0.984 0.598 0.895 0.605 CB 1.820 39 residues pruned to eliminate duplicates Z: 46 61.717 2.402 1.106 0.586 0.911 0.600 CB 1.838 46 residues pruned to eliminate duplicates Z: 47 46.160 2.303 0.875 0.557 0.891 0.543 CB 1.673 47 residues pruned to eliminate duplicates Z: 30 26.082 2.043 0.733 0.562 0.862 0.448 CB 1.493 30 residues pruned to eliminate duplicates Z: 39 55.428 2.375 1.073 0.592 0.921 0.526 CB 1.816 39 residues pruned to eliminate duplicates Z: 39 57.034 2.392 0.998 0.600 0.947 0.605 CB 1.858 39 residues pruned to eliminate duplicates Z: 84 60.866 2.327 0.817 0.516 0.916 0.602 CB 1.697 80 residues pruned to eliminate duplicates Z: 9 17.831 2.322 0.384 0.839 0.875 0.750 CA 1.674 9 residues pruned to eliminate duplicates Z: 42 47.462 2.298 1.034 0.563 0.878 0.537 CB 1.699 42 residues pruned to eliminate duplicates Z: 40 47.015 2.317 0.951 0.583 0.897 0.513 CB 1.714 40 residues pruned to eliminate duplicates Z: 189 94.104 2.329 0.675 0.589 0.931 0.654 CB 1.735 193 residues pruned to eliminate duplicates Z: 14 27.630 2.293 0.363 0.856 1.000 1.000 C 1.809 14 residues pruned to eliminate duplicates Z: 16 28.182 2.141 0.620 0.816 0.933 0.800 C 1.709 16 residues pruned to eliminate duplicates Z: 76 63.673 2.372 0.559 0.656 0.933 0.680 CB 1.842 76 residues pruned to eliminate duplicates Z: 16 31.560 2.124 0.962 0.820 0.933 0.800 C 1.587 16 residues pruned to eliminate duplicates Z: 100 69.286 2.320 0.574 0.645 0.960 0.657 CB 1.734 100 residues pruned to eliminate duplicates Z: 17 30.671 2.067 0.917 0.761 0.938 0.688 C 1.637 17 residues pruned to eliminate duplicates Z: 15 37.433 2.193 1.029 0.851 1.000 0.714 C 1.665 15 residues pruned to eliminate duplicates Z: 16 32.822 2.133 0.924 0.790 1.000 0.733 C 1.600 16 residues pruned to eliminate duplicates Z: 28 31.783 2.181 0.708 0.641 0.889 0.593 CB 1.618 28 residues pruned to eliminate duplicates Z: 68 48.557 2.250 0.506 0.572 0.925 0.522 CB 1.765 68 residues pruned to eliminate duplicates Z: 96 72.750 2.311 0.699 0.638 0.947 0.642 CB 1.764 96 residues pruned to eliminate duplicates Z: 97 74.042 2.324 0.668 0.645 0.948 0.667 CB 1.796 97 residues pruned to eliminate duplicates Z: 45 41.422 2.308 0.439 0.600 0.955 0.614 CB 1.792 45 residues pruned to eliminate duplicates Z: 97 72.002 2.313 0.643 0.648 0.948 0.677 CB 1.777 97 residues pruned to eliminate duplicates Z: 25 37.300 2.122 0.800 0.703 0.958 0.542 C 1.730 25 residues pruned to eliminate duplicates Z: 14 17.495 2.000 0.327 0.682 1.000 0.692 CB 1.547 14 residues pruned to eliminate duplicates Z: 106 76.336 2.338 0.686 0.639 0.943 0.667 CB 1.760 106 residues pruned to eliminate duplicates Z: 24 36.782 2.162 0.879 0.720 0.913 0.739 C 1.694 24 residues pruned to eliminate duplicates Z: 59 56.694 2.323 0.651 0.605 0.931 0.569 CB 1.887 59 residues pruned to eliminate duplicates Z: 50 43.214 2.366 0.421 0.558 0.918 0.592 CB 1.889 50 residues pruned to eliminate duplicates Z: 49 45.838 2.348 0.530 0.558 0.958 0.604 CB 1.816 49 residues pruned to eliminate duplicates Z: 66 53.642 2.355 0.550 0.590 0.908 0.631 CB 1.842 66 residues pruned to eliminate duplicates Z: 84 62.453 2.332 0.537 0.646 0.952 0.590 CB 1.754 84 residues pruned to eliminate duplicates Z: 84 62.856 2.327 0.556 0.647 0.952 0.639 CB 1.746 84 residues pruned to eliminate duplicates Z: 85 63.210 2.333 0.574 0.630 0.940 0.631 CB 1.768 85 residues pruned to eliminate duplicates Z: 98 70.864 2.280 0.704 0.641 0.938 0.629 CB 1.730 98 residues pruned to eliminate duplicates Z: 98 61.663 2.256 0.570 0.611 0.918 0.619 CB 1.734 98 residues pruned to eliminate duplicates Z: 63 59.842 2.336 0.684 0.622 0.952 0.565 CB 1.810 63 residues pruned to eliminate duplicates Z: 84 67.972 2.331 0.660 0.648 0.952 0.699 CB 1.765 84 residues pruned to eliminate duplicates Z: 50 41.592 2.310 0.491 0.563 0.898 0.551 CB 1.806 50 residues pruned to eliminate duplicates Z: 86 58.036 2.337 0.547 0.623 0.871 0.624 CB 1.780 86 residues pruned to eliminate duplicates Z: 88 57.886 2.294 0.519 0.632 0.931 0.655 CB 1.690 88 residues pruned to eliminate duplicates Z: 152 84.223 2.294 0.740 0.594 0.914 0.609 CB 1.718 152 residues pruned to eliminate duplicates Z: 86 60.778 2.278 0.544 0.636 0.941 0.635 CB 1.752 86 residues pruned to eliminate duplicates Z: 49 48.148 2.392 0.490 0.608 0.938 0.542 CB 1.878 49 residues pruned to eliminate duplicates Z: 117 67.974 2.259 0.635 0.593 0.922 0.612 CB 1.695 117 residues pruned to eliminate duplicates Z: 95 63.363 2.307 0.597 0.601 0.915 0.628 CB 1.760 97 residues pruned to eliminate duplicates Z: 22 36.991 2.296 0.550 0.835 0.952 0.714 CA 1.785 22 residues pruned to eliminate duplicates Z: 62 58.064 2.348 0.583 0.630 0.984 0.639 CB 1.799 62 residues pruned to eliminate duplicates Z: 86 59.772 2.324 0.532 0.634 0.906 0.659 CB 1.772 86 residues pruned to eliminate duplicates Z: 97 63.209 2.316 0.578 0.586 0.927 0.625 CB 1.753 97 residues pruned to eliminate duplicates Z: 85 65.276 2.288 0.645 0.644 0.952 0.607 CB 1.737 85 residues pruned to eliminate duplicates Z: 96 74.335 2.331 0.689 0.654 0.937 0.684 CB 1.792 96 residues pruned to eliminate duplicates Z: 84 65.132 2.329 0.604 0.635 0.940 0.614 CB 1.793 84 residues pruned to eliminate duplicates Z: 85 59.936 2.320 0.554 0.640 0.905 0.631 CB 1.759 85 residues pruned to eliminate duplicates Z: 171 86.081 2.316 0.644 0.588 0.935 0.671 CB 1.704 95 residues pruned to eliminate duplicates Z: 25 38.406 2.332 0.568 0.771 0.958 0.833 CA 1.761 25 residues pruned to eliminate duplicates Z: 96 62.174 2.315 0.606 0.578 0.916 0.632 CB 1.738 96 residues pruned to eliminate duplicates Z: 103 71.907 2.315 0.695 0.622 0.902 0.676 CB 1.794 103 residues pruned to eliminate duplicates Z: 51 44.700 2.320 0.464 0.568 0.980 0.620 CB 1.778 51 residues pruned to eliminate duplicates Z: 85 62.873 2.342 0.552 0.646 0.929 0.667 CB 1.773 85 residues pruned to eliminate duplicates Z: 109 67.188 2.305 0.565 0.616 0.917 0.648 CB 1.751 109 residues pruned to eliminate duplicates Z: 88 60.410 2.302 0.538 0.626 0.931 0.598 CB 1.744 88 residues pruned to eliminate duplicates Z: 99 68.825 2.298 0.680 0.644 0.908 0.663 CB 1.733 99 residues pruned to eliminate duplicates Z: 87 56.796 2.236 0.534 0.611 0.953 0.616 CB 1.685 87 residues pruned to eliminate duplicates Z: 86 60.439 2.302 0.531 0.647 0.929 0.682 CB 1.746 86 residues pruned to eliminate duplicates Z: 85 58.084 2.320 0.516 0.627 0.917 0.655 CB 1.744 85 residues pruned to eliminate duplicates Z: 97 61.950 2.294 0.554 0.599 0.917 0.667 CB 1.761 97 residues pruned to eliminate duplicates Z: 85 58.759 2.324 0.533 0.628 0.917 0.655 CB 1.741 85 residues pruned to eliminate duplicates Z: 62 56.683 2.342 0.612 0.612 0.918 0.590 CB 1.883 62 residues pruned to eliminate duplicates Z: 83 66.624 2.343 0.580 0.664 0.963 0.707 CB 1.773 83 residues pruned to eliminate duplicates Z: 53 48.153 2.291 0.622 0.643 0.942 0.692 CB 1.669 53 residues pruned to eliminate duplicates Z: 67 53.611 2.330 0.549 0.614 0.909 0.652 CB 1.805 67 residues pruned to eliminate duplicates Z: 73 56.869 2.346 0.532 0.621 0.931 0.653 CB 1.787 73 residues pruned to eliminate duplicates Z: 35 46.643 2.268 0.716 0.739 0.971 0.794 CB 1.709 35 residues pruned to eliminate duplicates Z: 11 10.238 2.114 0.719 0.292 0.800 0.500 CB 1.406 11 residues pruned to eliminate duplicates Z: 15 15.133 2.052 0.562 0.317 0.929 0.429 CB 1.663 15 residues pruned to eliminate duplicates Z: 10 16.508 2.181 1.008 0.406 1.000 0.667 CB 1.387 10 residues pruned to eliminate duplicates Z: 15 12.005 2.058 0.644 0.292 0.857 0.571 CB 1.397 15 residues pruned to eliminate duplicates Z: 11 11.061 2.130 0.661 0.288 0.800 0.600 CB 1.568 11 residues pruned to eliminate duplicates Z: 10 16.908 2.263 0.768 0.422 1.000 0.889 CB 1.528 10 residues pruned to eliminate duplicates Z: 10 16.533 2.259 0.692 0.422 1.000 0.778 CB 1.564 10 residues pruned to eliminate duplicates Z: 10 18.872 2.273 0.744 0.346 1.000 0.778 CB 1.874 10 residues pruned to eliminate duplicates Z: 19 17.755 2.307 0.729 0.291 0.778 0.389 CB 1.705 19 residues pruned to eliminate duplicates Z: 48 43.014 2.329 0.633 0.561 0.894 0.681 CB 1.740 48 residues pruned to eliminate duplicates Z: 41 41.925 2.231 0.710 0.619 0.950 0.550 CB 1.634 41 residues pruned to eliminate duplicates Z: 38 50.865 2.332 0.929 0.655 0.919 0.568 CB 1.752 38 residues pruned to eliminate duplicates Z: 38 38.254 2.217 0.657 0.602 0.919 0.541 CB 1.691 43 residues pruned to eliminate duplicates Z: 23 51.547 2.233 1.218 0.794 0.955 0.591 CB 1.797 23 residues pruned to eliminate duplicates Z: 38 50.441 2.298 0.802 0.658 0.973 0.649 CB 1.778 38 residues pruned to eliminate duplicates Z: 37 47.341 2.227 0.792 0.676 0.972 0.750 CB 1.729 37 residues pruned to eliminate duplicates Z: 37 44.554 2.195 0.775 0.651 0.944 0.611 CA 1.754 37 residues pruned to eliminate duplicates Z: 49 49.914 2.301 0.829 0.533 0.958 0.625 CB 1.730 49 residues pruned to eliminate duplicates Z: 49 45.073 2.277 0.789 0.554 0.896 0.625 CB 1.692 49 residues pruned to eliminate duplicates Z: 37 34.535 2.198 0.865 0.558 0.806 0.611 CB 1.647 37 residues pruned to eliminate duplicates Z: 48 48.277 2.282 0.873 0.566 0.915 0.638 CB 1.689 48 residues pruned to eliminate duplicates Z: 37 49.516 2.307 0.811 0.639 0.944 0.556 CB 1.836 37 residues pruned to eliminate duplicates Z: 38 48.213 2.322 0.825 0.643 0.919 0.676 CB 1.781 38 residues pruned to eliminate duplicates Z: 39 50.912 2.251 0.882 0.641 1.000 0.553 CB 1.709 39 residues pruned to eliminate duplicates Z: 37 55.304 2.313 0.929 0.679 0.972 0.583 CA 1.803 37 residues pruned to eliminate duplicates Z: 18 48.896 2.308 1.029 0.901 1.000 0.941 CB 1.807 18 residues pruned to eliminate duplicates Z: 39 51.140 2.283 1.034 0.614 0.947 0.553 CB 1.693 39 residues pruned to eliminate duplicates Z: 17 54.302 2.359 1.110 0.930 1.000 0.875 C 1.906 17 residues pruned to eliminate duplicates Z: 50 48.065 2.231 0.865 0.533 0.939 0.510 CB 1.702 50 residues pruned to eliminate duplicates Z: 39 49.235 2.249 0.980 0.641 0.868 0.605 CB 1.811 39 residues pruned to eliminate duplicates Z: 38 48.957 2.284 0.989 0.625 0.892 0.459 CB 1.765 38 residues pruned to eliminate duplicates Z: 38 50.351 2.308 0.927 0.603 0.946 0.514 CB 1.784 38 residues pruned to eliminate duplicates Z: 39 45.892 2.305 0.847 0.629 0.921 0.605 CB 1.682 39 residues pruned to eliminate duplicates Z: 49 46.537 2.246 0.879 0.526 0.917 0.583 CB 1.692 49 residues pruned to eliminate duplicates Z: 40 46.009 2.252 0.970 0.608 0.897 0.590 CB 1.670 40 residues pruned to eliminate duplicates Z: 39 48.982 2.279 0.931 0.627 0.921 0.605 CB 1.740 39 residues pruned to eliminate duplicates Z: 50 49.214 2.274 0.801 0.567 0.939 0.633 CB 1.714 50 residues pruned to eliminate duplicates Z: 113 63.217 2.161 0.646 0.633 0.938 0.545 CB 1.582 133 residues pruned to eliminate duplicates Z: 9 18.614 2.155 0.422 0.875 1.000 0.625 CA 1.562 9 residues pruned to eliminate duplicates Z: 38 32.276 2.113 0.745 0.518 0.919 0.432 CB 1.537 38 residues pruned to eliminate duplicates Z: 40 44.703 2.230 0.926 0.633 0.897 0.513 CB 1.640 40 residues pruned to eliminate duplicates Z: 37 54.161 2.290 0.978 0.674 0.972 0.611 CB 1.747 37 residues pruned to eliminate duplicates Z: 15 16.165 2.099 0.468 0.572 0.857 0.571 CB 1.526 15 residues pruned to eliminate duplicates Z: 49 47.830 2.229 0.882 0.557 0.938 0.625 CB 1.660 49 residues pruned to eliminate duplicates Z: 108 65.201 2.260 0.659 0.584 0.907 0.617 CB 1.710 92 residues pruned to eliminate duplicates Z: 17 41.223 2.219 1.059 0.815 0.938 0.875 CA 1.830 17 residues pruned to eliminate duplicates Z: 16 39.436 2.341 0.759 0.791 1.000 0.733 CB 1.914 16 residues pruned to eliminate duplicates Z: 66 48.912 2.269 0.522 0.608 0.938 0.662 CB 1.690 66 residues pruned to eliminate duplicates Z: 17 35.284 2.246 0.906 0.742 0.938 0.750 CA 1.770 17 residues pruned to eliminate duplicates Z: 99 58.885 2.223 0.587 0.646 0.929 0.673 CB 1.584 99 residues pruned to eliminate duplicates Z: 63 55.034 2.309 0.640 0.619 0.919 0.613 CB 1.794 63 residues pruned to eliminate duplicates Z: 95 57.413 2.257 0.656 0.586 0.915 0.660 CB 1.595 95 residues pruned to eliminate duplicates Z: 64 55.813 2.306 0.671 0.624 0.921 0.603 CB 1.764 64 residues pruned to eliminate duplicates Z: 30 43.830 2.353 0.925 0.635 0.897 0.759 CB 1.767 30 residues pruned to eliminate duplicates Z: 111 57.665 2.180 0.631 0.603 0.900 0.618 CB 1.557 111 residues pruned to eliminate duplicates Z: 80 57.920 2.260 0.680 0.619 0.899 0.620 CB 1.707 80 residues pruned to eliminate duplicates Z: 113 75.881 2.285 0.718 0.643 0.920 0.634 CB 1.738 118 residues pruned to eliminate duplicates Z: 16 49.737 2.168 1.330 0.889 1.000 0.533 C 1.830 16 residues pruned to eliminate duplicates Z: 97 63.861 2.245 0.664 0.650 0.938 0.615 CB 1.618 97 residues pruned to eliminate duplicates Z: 97 59.572 2.212 0.670 0.643 0.896 0.625 CB 1.607 97 residues pruned to eliminate duplicates Z: 97 61.585 2.239 0.633 0.660 0.917 0.719 CB 1.617 97 residues pruned to eliminate duplicates Z: 56 51.208 2.302 0.648 0.641 0.909 0.655 CB 1.755 56 residues pruned to eliminate duplicates Z: 58 53.307 2.300 0.642 0.650 0.912 0.632 CB 1.782 58 residues pruned to eliminate duplicates Z: 76 57.830 2.288 0.599 0.655 0.920 0.667 CB 1.718 76 residues pruned to eliminate duplicates Z: 97 57.551 2.181 0.619 0.626 0.938 0.646 CB 1.576 97 residues pruned to eliminate duplicates Z: 99 60.218 2.223 0.634 0.637 0.918 0.684 CB 1.603 99 residues pruned to eliminate duplicates Z: 76 59.118 2.294 0.638 0.651 0.920 0.653 CB 1.716 76 residues pruned to eliminate duplicates Z: 83 48.095 2.210 0.518 0.621 0.902 0.707 CB 1.565 83 residues pruned to eliminate duplicates Z: 98 64.616 2.228 0.659 0.648 0.959 0.629 CB 1.612 98 residues pruned to eliminate duplicates Z: 79 54.962 2.247 0.590 0.618 0.923 0.641 CB 1.688 79 residues pruned to eliminate duplicates Z: 57 56.072 2.339 0.663 0.671 0.911 0.714 CB 1.807 57 residues pruned to eliminate duplicates Z: 97 63.408 2.242 0.666 0.647 0.948 0.646 CB 1.592 97 residues pruned to eliminate duplicates Z: 55 43.969 2.232 0.547 0.608 0.907 0.667 CB 1.724 55 residues pruned to eliminate duplicates Z: 58 56.615 2.321 0.674 0.649 0.930 0.702 CB 1.807 58 residues pruned to eliminate duplicates Z: 97 65.059 2.239 0.681 0.661 0.938 0.677 CB 1.620 97 residues pruned to eliminate duplicates Z: 98 62.292 2.212 0.655 0.641 0.938 0.639 CB 1.614 98 residues pruned to eliminate duplicates Z: 98 65.669 2.227 0.676 0.644 0.959 0.680 CB 1.629 98 residues pruned to eliminate duplicates Z: 97 64.606 2.226 0.673 0.656 0.958 0.635 CB 1.598 97 residues pruned to eliminate duplicates Z: 26 23.338 2.252 0.381 0.489 0.880 0.640 CB 1.724 26 residues pruned to eliminate duplicates Z: 39 48.321 2.363 0.737 0.622 0.921 0.553 CB 1.848 39 residues pruned to eliminate duplicates Z: 67 53.540 2.276 0.609 0.612 0.939 0.561 CB 1.723 67 residues pruned to eliminate duplicates Z: 97 60.804 2.211 0.647 0.664 0.938 0.646 CB 1.562 97 residues pruned to eliminate duplicates Z: 62 50.799 2.281 0.635 0.630 0.885 0.639 CB 1.743 62 residues pruned to eliminate duplicates Z: 83 51.629 2.192 0.575 0.638 0.939 0.671 CB 1.545 83 residues pruned to eliminate duplicates Z: 76 60.579 2.277 0.643 0.640 0.947 0.600 CB 1.732 76 residues pruned to eliminate duplicates Z: 99 61.617 2.211 0.668 0.654 0.918 0.653 CB 1.593 99 residues pruned to eliminate duplicates Z: 99 64.382 2.219 0.716 0.649 0.929 0.663 CB 1.601 99 residues pruned to eliminate duplicates Z: 77 63.005 2.259 0.725 0.658 0.961 0.645 CB 1.667 77 residues pruned to eliminate duplicates Z: 98 67.148 2.225 0.756 0.662 0.938 0.670 CB 1.601 98 residues pruned to eliminate duplicates Z: 51 36.792 2.216 0.442 0.542 0.920 0.580 CB 1.698 51 residues pruned to eliminate duplicates Z: 99 61.374 2.211 0.684 0.649 0.918 0.694 CB 1.579 99 residues pruned to eliminate duplicates Z: 78 50.267 2.166 0.580 0.635 0.935 0.688 CB 1.577 78 residues pruned to eliminate duplicates Z: 103 71.900 2.249 0.797 0.603 0.922 0.608 CB 1.732 102 residues pruned to eliminate duplicates Z: 23 31.435 2.218 0.494 0.784 0.909 0.636 CB 1.732 23 residues pruned to eliminate duplicates Z: 83 50.460 2.171 0.573 0.630 0.939 0.671 CB 1.537 83 residues pruned to eliminate duplicates Z: 58 57.326 2.312 0.681 0.680 0.930 0.684 CB 1.780 58 residues pruned to eliminate duplicates Z: 99 62.897 2.220 0.674 0.651 0.939 0.633 CB 1.582 99 residues pruned to eliminate duplicates Z: 53 35.816 2.081 0.553 0.644 0.923 0.712 CB 1.455 65 residues pruned to eliminate duplicates Z: 76 60.845 2.302 0.666 0.668 0.920 0.720 CB 1.705 76 residues pruned to eliminate duplicates Z: 98 64.281 2.224 0.717 0.660 0.938 0.608 CB 1.571 98 residues pruned to eliminate duplicates Z: 67 52.693 2.259 0.670 0.599 0.909 0.652 CB 1.721 67 residues pruned to eliminate duplicates Z: 78 61.662 2.235 0.757 0.659 0.922 0.623 CB 1.674 78 residues pruned to eliminate duplicates Z: 77 59.034 2.250 0.710 0.660 0.908 0.711 CB 1.671 77 residues pruned to eliminate duplicates Z: 97 61.184 2.236 0.656 0.666 0.906 0.729 CB 1.596 97 residues pruned to eliminate duplicates Z: 83 51.779 2.197 0.582 0.635 0.939 0.622 CB 1.544 83 residues pruned to eliminate duplicates Z: 65 45.983 2.208 0.540 0.636 0.922 0.578 CB 1.615 65 residues pruned to eliminate duplicates Z: 97 62.911 2.236 0.704 0.658 0.917 0.646 CB 1.588 97 residues pruned to eliminate duplicates Z: 99 63.865 2.211 0.727 0.651 0.929 0.714 CB 1.581 99 residues pruned to eliminate duplicates Z: 98 60.713 2.221 0.696 0.647 0.907 0.722 CB 1.573 98 residues pruned to eliminate duplicates Z: 98 63.800 2.230 0.732 0.648 0.918 0.691 CB 1.592 98 residues pruned to eliminate duplicates Z: 138 76.177 2.238 0.768 0.616 0.905 0.620 CB 1.629 138 residues pruned to eliminate duplicates Z: 97 65.322 2.217 0.774 0.657 0.938 0.688 CB 1.563 97 residues pruned to eliminate duplicates Z: 97 67.125 2.247 0.716 0.674 0.938 0.677 CB 1.614 97 residues pruned to eliminate duplicates Z: 78 61.721 2.262 0.726 0.654 0.935 0.675 CB 1.669 78 residues pruned to eliminate duplicates Z: 45 23.541 1.965 0.517 0.486 0.864 0.477 CB 1.399 45 residues pruned to eliminate duplicates Z: 78 59.983 2.270 0.708 0.649 0.922 0.675 CB 1.664 78 residues pruned to eliminate duplicates Z: 34 32.469 2.137 0.721 0.680 0.909 0.636 CB 1.434 34 residues pruned to eliminate duplicates Z: 75 45.461 2.144 0.630 0.629 0.892 0.676 CB 1.502 75 residues pruned to eliminate duplicates Z: 79 55.174 2.248 0.707 0.637 0.872 0.615 CB 1.642 79 residues pruned to eliminate duplicates Z: 99 66.449 2.214 0.758 0.660 0.939 0.622 CB 1.583 99 residues pruned to eliminate duplicates Z: 98 62.069 2.222 0.708 0.656 0.918 0.567 CB 1.565 98 residues pruned to eliminate duplicates Z: 35 33.734 2.103 0.964 0.692 0.912 0.588 CB 1.289 35 residues pruned to eliminate duplicates Z: 98 58.870 2.215 0.715 0.644 0.876 0.629 CB 1.570 98 residues pruned to eliminate duplicates Z: 82 53.808 2.204 0.650 0.639 0.926 0.667 CB 1.560 82 residues pruned to eliminate duplicates Z: 98 61.131 2.199 0.685 0.658 0.907 0.660 CB 1.594 98 residues pruned to eliminate duplicates Z: 21 22.627 2.020 0.765 0.698 0.950 0.600 CB 1.247 21 residues pruned to eliminate duplicates Z: 56 45.893 2.198 0.664 0.651 0.927 0.655 CB 1.585 56 residues pruned to eliminate duplicates Z: 85 62.224 2.271 0.723 0.655 0.905 0.643 CB 1.660 85 residues pruned to eliminate duplicates Z: 66 45.478 2.196 0.641 0.609 0.892 0.600 CB 1.582 66 residues pruned to eliminate duplicates Z: 142 66.506 2.191 0.593 0.590 0.929 0.695 CB 1.584 142 residues pruned to eliminate duplicates Z: 131 74.704 2.272 0.642 0.630 0.946 0.615 CB 1.642 131 residues pruned to eliminate duplicates Z: 17 19.711 2.130 0.352 0.593 0.938 0.625 CB 1.670 17 residues pruned to eliminate duplicates Z: 46 42.743 2.262 0.599 0.596 1.000 0.667 CB 1.608 46 residues pruned to eliminate duplicates Z: 46 48.003 2.291 0.682 0.631 1.000 0.756 CB 1.642 46 residues pruned to eliminate duplicates Z: 46 41.301 2.281 0.470 0.607 1.000 0.733 CB 1.658 46 residues pruned to eliminate duplicates Z: 29 33.182 2.278 0.619 0.583 1.000 0.679 CB 1.570 29 residues pruned to eliminate duplicates Z: 29 30.558 2.258 0.547 0.571 1.000 0.607 CB 1.543 29 residues pruned to eliminate duplicates Z: 46 45.516 2.270 0.630 0.622 1.000 0.667 CB 1.635 46 residues pruned to eliminate duplicates Z: 57 47.886 2.271 0.648 0.619 0.964 0.714 CB 1.584 57 residues pruned to eliminate duplicates Z: 46 44.375 2.274 0.611 0.606 1.000 0.689 CB 1.632 46 residues pruned to eliminate duplicates Z: 45 42.046 2.286 0.556 0.613 0.977 0.682 CB 1.639 45 residues pruned to eliminate duplicates Z: 45 40.695 2.266 0.500 0.585 1.000 0.705 CB 1.663 45 residues pruned to eliminate duplicates Z: 48 41.009 2.249 0.596 0.581 0.979 0.681 CB 1.575 48 residues pruned to eliminate duplicates Z: 46 45.895 2.289 0.599 0.613 1.000 0.689 CB 1.678 46 residues pruned to eliminate duplicates Z: 45 41.940 2.275 0.620 0.615 0.932 0.682 CB 1.651 45 residues pruned to eliminate duplicates Z: 51 40.823 2.249 0.574 0.558 0.960 0.740 CB 1.607 51 residues pruned to eliminate duplicates Z: 45 46.219 2.311 0.679 0.620 0.977 0.727 CB 1.641 45 residues pruned to eliminate duplicates Z: 47 45.047 2.226 0.687 0.605 1.000 0.717 CB 1.600 47 residues pruned to eliminate duplicates Z: 57 45.658 2.213 0.672 0.588 0.964 0.696 CB 1.572 57 residues pruned to eliminate duplicates Z: 45 45.782 2.263 0.694 0.629 0.977 0.750 CB 1.631 45 residues pruned to eliminate duplicates Z: 56 44.640 2.242 0.573 0.592 0.982 0.764 CB 1.593 56 residues pruned to eliminate duplicates Z: 46 46.087 2.296 0.762 0.610 0.933 0.711 CB 1.640 46 residues pruned to eliminate duplicates Z: 46 45.253 2.299 0.626 0.622 0.978 0.778 CB 1.645 46 residues pruned to eliminate duplicates Z: 46 47.456 2.320 0.628 0.621 1.000 0.667 CB 1.671 46 residues pruned to eliminate duplicates Z: 28 30.996 2.298 0.566 0.602 0.963 0.741 CB 1.561 28 residues pruned to eliminate duplicates Z: 75 45.434 2.189 0.553 0.581 0.959 0.784 CB 1.499 75 residues pruned to eliminate duplicates Z: 56 47.375 2.270 0.601 0.623 0.964 0.818 CB 1.625 56 residues pruned to eliminate duplicates Z: 60 42.464 2.201 0.553 0.591 0.949 0.712 CB 1.562 60 residues pruned to eliminate duplicates Z: 46 42.411 2.276 0.599 0.602 0.978 0.756 CB 1.613 46 residues pruned to eliminate duplicates Z: 22 30.568 2.196 0.642 0.658 0.952 0.762 CB 1.677 22 residues pruned to eliminate duplicates Z: 47 44.860 2.268 0.703 0.592 0.957 0.674 CB 1.640 47 residues pruned to eliminate duplicates Z: 46 48.776 2.285 0.758 0.606 0.978 0.689 CB 1.673 46 residues pruned to eliminate duplicates Z: 57 49.236 2.262 0.653 0.620 0.964 0.768 CB 1.630 57 residues pruned to eliminate duplicates Z: 46 44.943 2.244 0.659 0.618 0.956 0.667 CB 1.685 46 residues pruned to eliminate duplicates Z: 58 46.801 2.228 0.672 0.589 0.965 0.737 CB 1.584 58 residues pruned to eliminate duplicates Z: 23 28.430 2.215 0.591 0.595 0.909 0.727 CB 1.728 23 residues pruned to eliminate duplicates Z: 57 49.628 2.255 0.692 0.603 0.982 0.750 CB 1.605 57 residues pruned to eliminate duplicates Z: 31 28.774 2.189 0.384 0.595 0.967 0.667 CB 1.638 31 residues pruned to eliminate duplicates Z: 55 49.595 2.269 0.685 0.607 0.981 0.741 CB 1.624 55 residues pruned to eliminate duplicates Z: 34 34.299 2.207 0.592 0.589 0.939 0.667 CB 1.661 34 residues pruned to eliminate duplicates Z: 57 47.668 2.261 0.683 0.596 0.946 0.714 CB 1.614 57 residues pruned to eliminate duplicates Z: 55 47.085 2.282 0.648 0.614 0.944 0.704 CB 1.620 55 residues pruned to eliminate duplicates Z: 57 42.373 2.240 0.561 0.585 0.929 0.679 CB 1.607 57 residues pruned to eliminate duplicates Z: 58 44.685 2.227 0.691 0.584 0.947 0.614 CB 1.532 58 residues pruned to eliminate duplicates Z: 59 40.794 2.241 0.539 0.578 0.931 0.621 CB 1.548 59 residues pruned to eliminate duplicates Z: 57 41.793 2.251 0.495 0.596 0.946 0.696 CB 1.601 57 residues pruned to eliminate duplicates Z: 33 28.923 2.209 0.490 0.585 0.938 0.656 CB 1.528 33 residues pruned to eliminate duplicates Z: 58 41.361 2.240 0.585 0.583 0.895 0.702 CB 1.592 58 residues pruned to eliminate duplicates Z: 37 21.863 2.076 0.353 0.542 0.917 0.667 CB 1.358 37 residues pruned to eliminate duplicates Z: 22 14.132 2.041 0.429 0.486 0.857 0.524 CB 1.251 22 residues pruned to eliminate duplicates Z: 52 27.789 2.121 0.309 0.550 0.941 0.588 CB 1.418 52 residues pruned to eliminate duplicates Z: 57 48.457 2.269 0.699 0.596 0.946 0.679 CB 1.620 57 residues pruned to eliminate duplicates Z: 28 20.847 2.121 0.282 0.604 0.926 0.815 CB 1.444 28 residues pruned to eliminate duplicates Z: 30 19.176 2.080 0.321 0.574 0.931 0.793 CB 1.296 30 residues pruned to eliminate duplicates Z: 29 19.627 2.073 0.332 0.599 0.929 0.857 CB 1.316 29 residues pruned to eliminate duplicates Z: 74 49.532 2.229 0.595 0.590 0.959 0.699 CB 1.561 75 residues pruned to eliminate duplicates Z: 10 12.223 1.848 0.585 0.898 1.000 0.778 CB 0.994 10 residues pruned to eliminate duplicates Z: 66 30.425 2.094 0.527 0.444 0.892 0.615 CB 1.400 66 residues pruned to eliminate duplicates Z: 31 19.093 2.065 0.404 0.544 0.867 0.733 CB 1.328 31 residues pruned to eliminate duplicates Z: 56 29.903 2.053 0.396 0.587 0.927 0.727 CB 1.396 56 residues pruned to eliminate duplicates Z: 18 12.393 1.990 -0.070 0.597 1.000 0.824 CB 1.481 18 residues pruned to eliminate duplicates Z: 74 44.353 2.208 0.561 0.582 0.945 0.726 CB 1.473 74 residues pruned to eliminate duplicates Z: 36 19.571 2.084 0.352 0.546 0.886 0.657 CB 1.267 36 residues pruned to eliminate duplicates Z: 19 13.463 2.031 0.202 0.552 0.889 0.833 CB 1.391 19 residues pruned to eliminate duplicates Z: 18 14.247 2.069 0.101 0.578 1.000 0.882 CB 1.407 17 residues pruned to eliminate duplicates Z: 11 15.634 2.051 0.083 0.900 1.000 0.700 CB 1.590 11 residues pruned to eliminate duplicates Z: 74 46.581 2.203 0.628 0.585 0.918 0.671 CB 1.527 74 residues pruned to eliminate duplicates Z: 20 16.307 1.944 0.573 0.569 0.895 0.632 CB 1.279 20 residues pruned to eliminate duplicates Z: 11 22.228 2.061 0.572 0.913 1.000 0.800 CB 1.536 11 residues pruned to eliminate duplicates Z: 13 14.468 2.040 0.535 0.679 0.833 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 17 17.592 2.062 0.405 0.621 1.000 0.625 CB 1.354 17 residues pruned to eliminate duplicates Z: 74 47.145 2.181 0.689 0.558 0.918 0.603 CB 1.543 74 residues pruned to eliminate duplicates Z: 50 35.849 2.157 0.615 0.560 0.939 0.653 CB 1.477 50 residues pruned to eliminate duplicates 443 residues left after pruning, divided into chains as follows: A: 11 B: 198 C: 234 CC for partial structure against native data = 39.61 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.387, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.434, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.516, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.525, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.535, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.538, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.542, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 0.545, Connect. = 0.809 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3471 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 707 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 36.029 2.390 0.784 0.857 1.000 0.769 CB 1.728 B: 13 37.328 2.497 0.597 0.866 1.000 0.750 CB 1.978 14 residues pruned to eliminate duplicates C: 14 33.957 2.351 0.753 0.827 1.000 0.769 CB 1.723 14 residues pruned to eliminate duplicates D: 13 32.935 2.500 0.507 0.877 1.000 0.833 CB 1.833 13 residues pruned to eliminate duplicates E: 14 30.695 2.324 0.569 0.839 0.923 0.923 CB 1.889 F: 13 26.576 2.285 0.414 0.818 1.000 0.917 C 1.802 13 residues pruned to eliminate duplicates G: 14 38.554 2.337 0.758 0.903 1.000 0.846 CB 1.856 13 residues pruned to eliminate duplicates H: 75 57.764 2.386 0.594 0.583 0.946 0.716 CB 1.723 14 residues pruned to eliminate duplicates I: 13 32.332 2.398 0.609 0.924 1.000 0.917 CB 1.699 13 residues pruned to eliminate duplicates J: 14 37.614 2.362 0.815 0.899 1.000 0.923 CB 1.739 14 residues pruned to eliminate duplicates K: 16 33.153 2.232 0.539 0.879 1.000 0.933 CA 1.807 L: 37 39.536 2.438 0.727 0.494 0.917 0.639 CB 1.718 37 residues pruned to eliminate duplicates M: 11 24.053 2.206 0.626 0.841 0.900 0.800 CA 1.757 11 residues pruned to eliminate duplicates N: 10 11.250 2.437 0.479 0.439 0.778 0.556 CB 1.425 10 residues pruned to eliminate duplicates O: 8 21.018 2.393 0.218 0.882 1.000 0.857 CA 1.973 P: 13 34.863 2.306 0.683 0.917 1.000 0.917 CB 1.831 Q: 10 26.023 2.323 0.583 0.842 1.000 0.889 CA 1.759 R: 13 22.846 2.151 0.270 0.903 1.000 1.000 CB 1.721 S: 13 33.268 2.300 0.882 0.878 0.917 0.750 CA 1.757 13 residues pruned to eliminate duplicates T: 14 30.761 2.355 0.482 0.907 1.000 1.000 CB 1.738 14 residues pruned to eliminate duplicates U: 17 42.387 2.333 0.728 0.922 1.000 0.938 CA 1.849 V: 8 21.039 2.322 0.261 0.875 1.000 0.857 CA 1.975 8 residues pruned to eliminate duplicates W: 13 34.465 2.277 0.686 0.931 1.000 0.917 CB 1.812 13 residues pruned to eliminate duplicates X: 16 45.418 2.245 0.976 0.897 1.000 0.867 CA 1.892 16 residues pruned to eliminate duplicates Y: 15 34.966 2.394 0.441 0.934 1.000 0.857 CA 1.889 15 residues pruned to eliminate duplicates Z: 15 41.479 2.377 0.714 0.928 1.000 0.929 CA 1.905 15 residues pruned to eliminate duplicates Z: 17 50.481 2.423 0.888 0.939 1.000 0.938 C 1.918 Z: 13 31.645 2.184 0.658 0.868 1.000 0.833 CA 1.844 13 residues pruned to eliminate duplicates Z: 10 13.916 2.095 0.343 0.887 0.778 0.667 CB 1.528 10 residues pruned to eliminate duplicates Z: 14 21.793 1.953 0.506 0.820 0.923 0.846 C 1.686 Z: 17 44.476 2.408 0.915 0.919 0.938 0.875 C 1.813 18 residues pruned to eliminate duplicates Z: 10 22.864 2.310 0.472 0.839 1.000 0.889 C 1.674 10 residues pruned to eliminate duplicates Z: 15 37.160 2.381 0.564 0.925 1.000 0.857 CA 1.873 15 residues pruned to eliminate duplicates Z: 18 44.970 2.280 0.889 0.883 1.000 0.941 CB 1.832 18 residues pruned to eliminate duplicates Z: 16 28.703 2.108 0.478 0.900 1.000 1.000 C 1.699 14 residues pruned to eliminate duplicates Z: 15 49.722 2.380 1.015 0.931 1.000 0.857 CA 1.937 15 residues pruned to eliminate duplicates Z: 16 39.868 2.245 0.803 0.906 1.000 0.867 CA 1.808 16 residues pruned to eliminate duplicates Z: 17 46.775 2.443 0.774 0.930 1.000 0.938 C 1.887 17 residues pruned to eliminate duplicates Z: 19 37.665 2.255 0.642 0.834 1.000 0.778 CA 1.797 19 residues pruned to eliminate duplicates Z: 8 12.379 2.302 -0.093 0.883 1.000 0.857 CA 1.620 8 residues pruned to eliminate duplicates Z: 19 36.353 2.313 0.512 0.875 1.000 0.667 CB 1.782 Z: 10 13.062 2.099 0.082 0.879 0.889 0.778 CA 1.565 9 residues pruned to eliminate duplicates Z: 19 33.565 2.208 0.753 0.812 0.889 0.833 CA 1.753 19 residues pruned to eliminate duplicates Z: 10 18.989 2.172 0.686 0.827 0.889 0.556 CA 1.466 9 residues pruned to eliminate duplicates Z: 15 48.586 2.369 0.950 0.926 1.000 0.929 CB 1.971 15 residues pruned to eliminate duplicates Z: 16 32.583 2.163 0.659 0.907 1.000 0.933 C 1.666 16 residues pruned to eliminate duplicates Z: 21 39.080 2.270 0.612 0.818 1.000 0.600 CB 1.811 19 residues pruned to eliminate duplicates Z: 16 31.580 2.217 0.451 0.908 1.000 0.867 CA 1.799 16 residues pruned to eliminate duplicates Z: 20 38.064 2.243 0.624 0.863 1.000 0.737 CA 1.760 Z: 24 35.006 2.260 0.566 0.829 0.870 0.696 CB 1.786 20 residues pruned to eliminate duplicates Z: 18 49.837 2.415 1.034 0.866 1.000 0.824 CB 1.801 17 residues pruned to eliminate duplicates Z: 18 41.220 2.324 0.746 0.922 1.000 0.882 C 1.732 18 residues pruned to eliminate duplicates Z: 13 27.333 2.155 0.531 0.875 1.000 0.833 CA 1.738 13 residues pruned to eliminate duplicates Z: 11 19.791 2.161 0.235 0.922 1.000 0.900 CA 1.649 11 residues pruned to eliminate duplicates Z: 11 15.427 2.136 0.334 0.797 0.900 0.600 CA 1.466 11 residues pruned to eliminate duplicates Z: 10 14.640 2.080 0.554 0.761 0.778 0.444 CA 1.539 10 residues pruned to eliminate duplicates Z: 11 18.406 1.933 0.388 0.899 1.000 1.000 CA 1.550 9 residues pruned to eliminate duplicates Z: 9 24.471 2.159 0.629 0.896 1.000 1.000 CA 1.762 9 residues pruned to eliminate duplicates Z: 13 34.217 2.444 0.684 0.883 0.917 0.833 CB 1.894 13 residues pruned to eliminate duplicates Z: 11 46.649 2.685 0.804 0.931 1.000 0.800 C 2.129 11 residues pruned to eliminate duplicates Z: 15 40.298 2.260 0.766 0.906 1.000 0.929 C 1.919 16 residues pruned to eliminate duplicates Z: 18 41.076 2.290 0.723 0.901 1.000 0.882 CA 1.803 17 residues pruned to eliminate duplicates Z: 13 26.880 2.178 0.399 0.896 1.000 1.000 CB 1.824 13 residues pruned to eliminate duplicates Z: 16 45.579 2.233 0.969 0.943 1.000 0.733 CA 1.855 16 residues pruned to eliminate duplicates Z: 16 32.532 2.130 0.622 0.907 1.000 0.933 C 1.727 16 residues pruned to eliminate duplicates Z: 13 25.547 2.098 0.477 0.887 1.000 0.750 CA 1.716 13 residues pruned to eliminate duplicates Z: 16 46.215 2.445 0.747 0.925 1.000 0.933 CA 1.961 17 residues pruned to eliminate duplicates Z: 17 43.114 2.461 0.598 0.893 1.000 0.875 CA 1.968 16 residues pruned to eliminate duplicates Z: 10 19.152 2.055 0.360 0.843 1.000 0.889 CA 1.701 10 residues pruned to eliminate duplicates Z: 18 40.705 2.289 0.639 0.922 1.000 0.882 C 1.850 18 residues pruned to eliminate duplicates Z: 11 19.254 2.180 0.409 0.862 0.900 0.900 CA 1.616 11 residues pruned to eliminate duplicates Z: 12 19.945 2.182 0.247 0.916 1.000 0.818 CA 1.560 12 residues pruned to eliminate duplicates Z: 79 60.944 2.381 0.750 0.553 0.910 0.679 CB 1.729 75 residues pruned to eliminate duplicates Z: 12 31.890 2.296 0.594 0.918 1.000 0.818 CA 1.852 12 residues pruned to eliminate duplicates Z: 15 33.921 2.369 0.433 0.931 1.000 0.929 CA 1.865 15 residues pruned to eliminate duplicates Z: 12 23.767 2.122 0.502 0.916 1.000 0.909 CB 1.588 14 residues pruned to eliminate duplicates Z: 18 37.543 2.304 0.541 0.923 1.000 0.941 CB 1.803 18 residues pruned to eliminate duplicates Z: 11 13.814 1.880 0.278 0.773 0.900 0.500 C 1.587 11 residues pruned to eliminate duplicates Z: 12 25.234 2.184 0.665 0.861 0.909 0.727 C 1.691 12 residues pruned to eliminate duplicates Z: 19 39.697 2.221 0.897 0.789 0.944 0.722 CB 1.825 19 residues pruned to eliminate duplicates Z: 16 32.805 2.259 0.462 0.925 1.000 0.867 CA 1.800 16 residues pruned to eliminate duplicates Z: 20 37.903 2.242 0.853 0.867 0.895 0.789 CB 1.711 19 residues pruned to eliminate duplicates Z: 44 45.214 2.311 0.615 0.641 0.977 0.721 CB 1.658 25 residues pruned to eliminate duplicates Z: 10 19.157 2.015 0.343 0.868 1.000 0.889 CB 1.724 10 residues pruned to eliminate duplicates Z: 13 33.443 2.312 0.569 0.926 1.000 0.833 CA 1.867 13 residues pruned to eliminate duplicates Z: 19 34.795 2.257 0.644 0.836 0.944 0.833 CA 1.752 19 residues pruned to eliminate duplicates Z: 117 79.887 2.323 0.703 0.621 0.948 0.672 CB 1.763 64 residues pruned to eliminate duplicates Z: 34 28.176 2.277 0.480 0.536 0.939 0.697 CB 1.496 34 residues pruned to eliminate duplicates Z: 17 41.471 2.388 0.672 0.931 1.000 1.000 CB 1.815 17 residues pruned to eliminate duplicates Z: 55 48.939 2.282 0.641 0.636 0.981 0.722 CB 1.594 44 residues pruned to eliminate duplicates Z: 13 25.458 2.163 0.577 0.845 0.917 0.750 C 1.747 13 residues pruned to eliminate duplicates Z: 18 46.762 2.386 0.904 0.849 1.000 0.824 CA 1.851 19 residues pruned to eliminate duplicates Z: 21 36.150 2.241 0.524 0.846 0.950 0.850 CA 1.850 21 residues pruned to eliminate duplicates Z: 21 42.102 2.385 0.526 0.839 1.000 0.850 CB 1.933 21 residues pruned to eliminate duplicates Z: 11 22.633 2.180 0.413 0.910 1.000 0.900 CA 1.648 11 residues pruned to eliminate duplicates Z: 22 34.321 2.249 0.494 0.852 0.952 0.619 CA 1.731 22 residues pruned to eliminate duplicates Z: 22 19.997 2.093 0.429 0.593 0.857 0.667 CB 1.558 22 residues pruned to eliminate duplicates Z: 13 26.666 2.184 0.398 0.885 1.000 0.833 CA 1.821 13 residues pruned to eliminate duplicates Z: 14 36.758 2.398 0.531 0.937 1.000 1.000 C 1.933 14 residues pruned to eliminate duplicates Z: 19 43.079 2.268 0.860 0.891 1.000 0.833 CA 1.730 19 residues pruned to eliminate duplicates Z: 19 40.903 2.381 0.652 0.893 0.944 0.778 CB 1.863 19 residues pruned to eliminate duplicates Z: 19 41.114 2.225 0.841 0.828 1.000 0.833 CB 1.782 19 residues pruned to eliminate duplicates Z: 17 38.530 2.315 0.682 0.883 0.938 0.875 CB 1.908 17 residues pruned to eliminate duplicates Z: 14 37.862 2.348 0.738 0.900 1.000 1.000 C 1.839 14 residues pruned to eliminate duplicates Z: 13 19.297 2.128 0.395 0.804 0.917 0.833 CB 1.571 13 residues pruned to eliminate duplicates Z: 21 32.911 2.247 0.557 0.810 0.900 0.750 CA 1.784 21 residues pruned to eliminate duplicates Z: 15 34.490 2.287 0.532 0.909 1.000 0.929 C 1.867 15 residues pruned to eliminate duplicates Z: 13 25.426 2.041 0.604 0.917 1.000 1.000 CA 1.582 13 residues pruned to eliminate duplicates Z: 18 44.362 2.387 0.804 0.875 1.000 0.941 CA 1.817 18 residues pruned to eliminate duplicates Z: 13 28.174 2.078 0.799 0.903 1.000 0.833 C 1.550 13 residues pruned to eliminate duplicates Z: 10 16.093 1.977 0.270 0.804 1.000 0.667 C 1.638 10 residues pruned to eliminate duplicates Z: 13 23.557 2.049 0.546 0.906 1.000 0.917 CA 1.527 13 residues pruned to eliminate duplicates Z: 15 41.591 2.297 0.823 0.917 1.000 1.000 C 1.873 15 residues pruned to eliminate duplicates Z: 15 47.047 2.316 1.041 0.896 1.000 0.857 C 1.906 15 residues pruned to eliminate duplicates Z: 16 40.504 2.394 0.591 0.911 1.000 0.933 C 1.946 16 residues pruned to eliminate duplicates Z: 56 45.444 2.249 0.606 0.621 0.964 0.655 CB 1.570 55 residues pruned to eliminate duplicates Z: 9 15.126 2.113 0.159 0.873 1.000 0.875 CB 1.590 Z: 11 27.918 2.227 0.791 0.872 0.900 0.800 C 1.794 11 residues pruned to eliminate duplicates Z: 10 13.609 1.978 0.052 0.868 1.000 0.667 CA 1.594 10 residues pruned to eliminate duplicates Z: 10 10.236 1.913 0.280 0.768 0.889 0.556 CB 1.236 Z: 10 21.156 2.055 0.537 0.867 1.000 1.000 CA 1.632 10 residues pruned to eliminate duplicates Z: 13 28.022 2.229 0.537 0.860 1.000 0.833 CB 1.736 13 residues pruned to eliminate duplicates Z: 11 25.430 2.153 0.571 0.929 1.000 0.900 CA 1.664 11 residues pruned to eliminate duplicates Z: 56 49.417 2.240 0.768 0.607 0.964 0.691 CB 1.577 56 residues pruned to eliminate duplicates Z: 25 35.319 2.273 0.497 0.725 0.958 0.667 CB 1.804 22 residues pruned to eliminate duplicates Z: 13 22.481 2.071 0.562 0.879 0.917 0.917 CA 1.588 13 residues pruned to eliminate duplicates Z: 21 38.367 2.348 0.592 0.815 0.900 0.800 CA 1.939 21 residues pruned to eliminate duplicates Z: 17 37.470 2.413 0.441 0.930 1.000 1.000 CB 1.883 17 residues pruned to eliminate duplicates Z: 112 78.812 2.330 0.687 0.623 0.946 0.649 CB 1.791 112 residues pruned to eliminate duplicates Z: 16 32.072 2.148 0.584 0.912 1.000 0.933 CB 1.724 16 residues pruned to eliminate duplicates Z: 16 51.682 2.524 0.876 0.911 1.000 0.933 C 1.998 16 residues pruned to eliminate duplicates Z: 10 24.124 2.253 0.538 0.860 1.000 0.778 CA 1.706 11 residues pruned to eliminate duplicates Z: 9 13.608 1.998 0.494 0.898 1.000 0.750 CB 1.153 9 residues pruned to eliminate duplicates Z: 12 29.572 2.296 0.459 0.902 1.000 0.909 CA 1.899 12 residues pruned to eliminate duplicates Z: 9 16.725 2.111 0.308 0.887 1.000 0.750 CB 1.544 9 residues pruned to eliminate duplicates Z: 15 21.670 1.952 0.713 0.790 0.929 0.786 CB 1.446 Z: 43 39.866 2.278 0.579 0.605 0.952 0.714 CB 1.624 43 residues pruned to eliminate duplicates Z: 44 36.812 2.213 0.658 0.493 0.930 0.651 CB 1.656 41 residues pruned to eliminate duplicates Z: 13 38.098 2.314 0.892 0.863 1.000 0.917 CB 1.844 13 residues pruned to eliminate duplicates Z: 13 29.639 2.059 0.791 0.857 1.000 0.833 CB 1.710 15 residues pruned to eliminate duplicates Z: 41 48.958 2.312 0.875 0.568 0.925 0.575 CB 1.807 36 residues pruned to eliminate duplicates Z: 75 44.781 2.188 0.548 0.573 0.932 0.716 CB 1.536 56 residues pruned to eliminate duplicates Z: 13 27.263 2.158 0.514 0.923 1.000 1.000 CA 1.693 13 residues pruned to eliminate duplicates Z: 21 28.509 2.289 0.116 0.846 1.000 0.750 CA 1.854 21 residues pruned to eliminate duplicates Z: 11 26.347 2.197 0.599 0.907 1.000 0.800 CA 1.686 11 residues pruned to eliminate duplicates Z: 10 20.938 2.110 0.694 0.882 1.000 0.667 CA 1.413 10 residues pruned to eliminate duplicates Z: 13 30.644 2.142 0.735 0.903 1.000 0.833 CB 1.696 13 residues pruned to eliminate duplicates Z: 149 79.756 2.338 0.629 0.576 0.926 0.635 CB 1.728 148 residues pruned to eliminate duplicates Z: 13 31.968 2.334 0.675 0.887 0.917 0.833 CB 1.857 13 residues pruned to eliminate duplicates Z: 37 44.706 2.290 0.648 0.723 0.917 0.778 CB 1.761 37 residues pruned to eliminate duplicates Z: 11 24.168 2.014 0.757 0.934 1.000 0.700 CB 1.506 11 residues pruned to eliminate duplicates Z: 11 19.515 2.071 0.275 0.918 1.000 1.000 CB 1.649 11 residues pruned to eliminate duplicates Z: 10 13.265 2.012 0.120 0.829 1.000 0.778 CB 1.477 10 residues pruned to eliminate duplicates Z: 12 23.123 2.224 0.299 0.926 1.000 1.000 CB 1.693 12 residues pruned to eliminate duplicates Z: 12 37.689 2.446 0.636 0.916 1.000 0.818 C 2.006 12 residues pruned to eliminate duplicates Z: 23 36.239 2.309 0.484 0.777 0.955 0.636 CB 1.851 23 residues pruned to eliminate duplicates Z: 16 45.219 2.178 1.070 0.904 1.000 0.533 C 1.845 16 residues pruned to eliminate duplicates Z: 13 26.681 2.133 0.611 0.898 1.000 1.000 CB 1.603 14 residues pruned to eliminate duplicates Z: 21 37.127 2.229 0.635 0.817 0.950 0.700 CA 1.822 21 residues pruned to eliminate duplicates Z: 31 22.792 2.097 0.453 0.489 0.933 0.833 CB 1.479 31 residues pruned to eliminate duplicates Z: 13 24.073 2.118 0.477 0.926 1.000 0.833 CB 1.558 13 residues pruned to eliminate duplicates Z: 16 32.823 2.129 0.655 0.886 1.000 0.867 C 1.736 15 residues pruned to eliminate duplicates Z: 12 23.927 2.098 0.504 0.920 1.000 0.909 CB 1.610 12 residues pruned to eliminate duplicates Z: 19 41.360 2.259 0.946 0.825 0.944 0.889 CA 1.772 19 residues pruned to eliminate duplicates Z: 10 15.237 2.019 0.337 0.837 0.889 0.778 CA 1.583 10 residues pruned to eliminate duplicates Z: 19 49.590 2.285 0.980 0.883 1.000 0.889 C 1.868 18 residues pruned to eliminate duplicates Z: 22 35.186 2.237 0.585 0.839 0.905 0.571 C 1.787 22 residues pruned to eliminate duplicates Z: 14 42.308 2.314 1.042 0.864 1.000 0.846 CA 1.821 14 residues pruned to eliminate duplicates Z: 19 39.209 2.442 0.525 0.848 0.944 0.722 CB 1.949 19 residues pruned to eliminate duplicates Z: 18 46.657 2.325 1.058 0.856 0.941 0.824 CA 1.853 18 residues pruned to eliminate duplicates Z: 19 37.878 2.201 0.735 0.811 1.000 0.778 CA 1.783 19 residues pruned to eliminate duplicates Z: 8 15.208 2.224 0.247 0.796 0.857 0.714 C 1.865 8 residues pruned to eliminate duplicates Z: 9 22.321 2.408 0.497 0.897 1.000 0.500 CA 1.567 9 residues pruned to eliminate duplicates Z: 9 24.146 2.237 0.502 0.903 1.000 0.875 CA 1.812 9 residues pruned to eliminate duplicates Z: 69 48.969 2.261 0.604 0.573 0.912 0.676 CB 1.674 69 residues pruned to eliminate duplicates Z: 98 60.852 2.209 0.639 0.659 0.928 0.598 CB 1.587 64 residues pruned to eliminate duplicates Z: 9 12.323 2.122 -0.083 0.880 1.000 0.750 CB 1.622 9 residues pruned to eliminate duplicates Z: 11 27.249 2.192 0.686 0.912 1.000 0.800 CA 1.652 11 residues pruned to eliminate duplicates Z: 23 29.192 2.105 0.646 0.801 0.864 0.682 CB 1.599 23 residues pruned to eliminate duplicates Z: 13 29.383 2.076 0.863 0.923 0.917 0.750 CB 1.682 13 residues pruned to eliminate duplicates Z: 159 85.675 2.355 0.662 0.574 0.930 0.620 CB 1.743 159 residues pruned to eliminate duplicates Z: 12 28.730 2.138 0.793 0.934 1.000 1.000 C 1.576 12 residues pruned to eliminate duplicates Z: 13 15.163 2.034 0.328 0.799 0.833 0.833 CA 1.497 13 residues pruned to eliminate duplicates Z: 12 30.643 2.267 0.645 0.913 1.000 0.909 CB 1.753 12 residues pruned to eliminate duplicates Z: 11 15.312 2.041 0.070 0.906 1.000 1.000 CB 1.577 11 residues pruned to eliminate duplicates Z: 9 13.142 2.030 0.399 0.868 1.000 0.750 CB 1.196 9 residues pruned to eliminate duplicates Z: 14 39.677 2.280 1.030 0.909 1.000 0.692 C 1.688 14 residues pruned to eliminate duplicates Z: 13 30.013 2.101 0.926 0.873 1.000 0.750 CB 1.559 13 residues pruned to eliminate duplicates Z: 13 39.943 2.389 0.835 0.929 1.000 0.750 CB 1.841 13 residues pruned to eliminate duplicates Z: 13 9.922 1.857 0.593 0.314 0.833 0.667 CB 1.427 Z: 14 17.204 2.108 0.269 0.667 0.923 0.769 CB 1.655 14 residues pruned to eliminate duplicates Z: 11 19.576 2.126 0.273 0.919 1.000 1.000 CA 1.613 11 residues pruned to eliminate duplicates Z: 15 34.698 2.273 0.752 0.854 0.929 0.786 CA 1.853 15 residues pruned to eliminate duplicates Z: 13 27.533 2.086 0.646 0.924 1.000 1.000 CB 1.626 13 residues pruned to eliminate duplicates Z: 10 17.331 2.210 0.067 0.912 1.000 1.000 CA 1.735 10 residues pruned to eliminate duplicates Z: 11 20.663 2.066 0.334 0.882 1.000 0.800 CB 1.716 11 residues pruned to eliminate duplicates Z: 12 27.416 2.234 0.472 0.934 1.000 1.000 CA 1.752 12 residues pruned to eliminate duplicates Z: 12 19.283 1.928 0.818 0.871 0.909 0.818 CA 1.331 12 residues pruned to eliminate duplicates Z: 18 47.681 2.388 0.983 0.896 1.000 0.941 CB 1.750 18 residues pruned to eliminate duplicates Z: 80 65.956 2.323 0.628 0.660 0.937 0.671 CB 1.805 80 residues pruned to eliminate duplicates Z: 11 22.933 2.136 0.531 0.922 1.000 0.900 CA 1.559 11 residues pruned to eliminate duplicates Z: 9 16.103 2.120 0.479 0.870 0.875 0.750 C 1.515 9 residues pruned to eliminate duplicates Z: 12 19.187 2.040 0.280 0.793 1.000 0.727 CA 1.714 12 residues pruned to eliminate duplicates Z: 11 23.537 2.064 0.563 0.893 1.000 0.700 CB 1.657 11 residues pruned to eliminate duplicates Z: 9 11.895 2.115 0.051 0.844 0.875 0.750 CB 1.608 8 residues pruned to eliminate duplicates Z: 18 25.793 2.163 0.537 0.829 0.941 0.824 CB 1.505 18 residues pruned to eliminate duplicates Z: 15 35.827 2.302 0.573 0.935 1.000 0.929 C 1.842 15 residues pruned to eliminate duplicates Z: 100 63.626 2.303 0.580 0.598 0.919 0.687 CB 1.740 100 residues pruned to eliminate duplicates Z: 13 23.981 2.205 0.363 0.879 1.000 0.833 CB 1.670 13 residues pruned to eliminate duplicates Z: 19 41.427 2.339 0.546 0.913 1.000 0.778 CB 1.911 19 residues pruned to eliminate duplicates Z: 11 31.255 2.541 0.485 0.820 1.000 0.900 CB 1.983 11 residues pruned to eliminate duplicates Z: 20 43.851 2.273 0.719 0.905 1.000 0.789 CB 1.832 20 residues pruned to eliminate duplicates Z: 13 25.540 1.975 0.666 0.884 1.000 0.833 CB 1.618 13 residues pruned to eliminate duplicates Z: 14 24.515 2.068 0.563 0.863 1.000 0.923 CB 1.544 14 residues pruned to eliminate duplicates Z: 20 36.150 2.307 0.427 0.894 1.000 0.842 CB 1.807 20 residues pruned to eliminate duplicates Z: 98 61.437 2.214 0.648 0.640 0.928 0.660 CB 1.616 98 residues pruned to eliminate duplicates Z: 10 27.717 2.226 0.701 0.923 1.000 0.778 CB 1.715 11 residues pruned to eliminate duplicates Z: 14 27.014 2.056 0.793 0.858 1.000 0.615 CB 1.497 14 residues pruned to eliminate duplicates Z: 9 14.425 2.263 0.071 0.877 1.000 0.750 CA 1.529 9 residues pruned to eliminate duplicates Z: 12 6.368 2.189 0.465 0.181 0.727 0.273 CB 1.209 2 residues pruned to eliminate duplicates Z: 87 63.626 2.344 0.492 0.630 0.953 0.640 CB 1.820 87 residues pruned to eliminate duplicates Z: 97 62.503 2.290 0.632 0.587 0.917 0.667 CB 1.713 97 residues pruned to eliminate duplicates Z: 13 29.472 2.127 0.699 0.867 1.000 0.917 CB 1.723 13 residues pruned to eliminate duplicates Z: 67 42.183 2.225 0.619 0.497 0.894 0.621 CB 1.618 73 residues pruned to eliminate duplicates Z: 11 22.025 2.109 0.680 0.898 0.900 0.700 CA 1.562 11 residues pruned to eliminate duplicates Z: 10 14.582 2.070 0.082 0.852 1.000 0.667 CA 1.606 10 residues pruned to eliminate duplicates Z: 13 27.980 2.065 0.604 0.915 1.000 0.750 CA 1.723 13 residues pruned to eliminate duplicates Z: 12 37.983 2.442 0.869 0.882 0.909 0.818 CA 1.996 12 residues pruned to eliminate duplicates Z: 25 37.445 2.244 0.496 0.771 1.000 0.708 CB 1.791 25 residues pruned to eliminate duplicates Z: 13 24.341 2.078 0.601 0.865 1.000 0.833 CA 1.547 13 residues pruned to eliminate duplicates Z: 19 36.077 2.209 0.663 0.866 1.000 0.944 CA 1.696 19 residues pruned to eliminate duplicates Z: 13 21.675 2.068 0.385 0.917 1.000 0.917 CB 1.541 13 residues pruned to eliminate duplicates Z: 64 57.609 2.371 0.594 0.630 0.905 0.651 CB 1.878 64 residues pruned to eliminate duplicates Z: 20 38.622 2.357 0.493 0.872 1.000 0.737 CB 1.835 20 residues pruned to eliminate duplicates Z: 17 34.952 2.283 0.474 0.904 1.000 0.875 CA 1.850 17 residues pruned to eliminate duplicates Z: 6 3.012 1.818 0.288 0.320 0.600 0.400 C 1.168 6 residues pruned to eliminate duplicates Z: 14 17.408 1.939 0.323 0.898 1.000 0.769 CB 1.347 14 residues pruned to eliminate duplicates Z: 10 23.322 2.229 0.481 0.910 1.000 1.000 CA 1.670 10 residues pruned to eliminate duplicates Z: 10 19.311 2.090 0.475 0.894 1.000 0.556 C 1.498 10 residues pruned to eliminate duplicates Z: 14 17.080 2.085 0.319 0.756 0.769 0.615 C 1.784 14 residues pruned to eliminate duplicates Z: 110 77.093 2.329 0.738 0.609 0.908 0.670 CB 1.812 110 residues pruned to eliminate duplicates Z: 17 48.581 2.384 0.903 0.934 1.000 0.875 C 1.867 17 residues pruned to eliminate duplicates Z: 19 40.612 2.376 0.470 0.889 1.000 0.778 CA 1.973 19 residues pruned to eliminate duplicates Z: 11 8.728 1.746 0.804 0.269 0.900 0.500 CB 1.266 14 residues pruned to eliminate duplicates Z: 8 13.413 2.015 0.264 0.760 1.000 0.714 C 1.580 8 residues pruned to eliminate duplicates Z: 11 21.210 2.088 0.501 0.898 1.000 0.800 CA 1.531 11 residues pruned to eliminate duplicates Z: 13 23.199 2.150 0.610 0.801 0.917 0.583 CB 1.622 13 residues pruned to eliminate duplicates Z: 14 11.616 1.963 0.470 0.303 0.846 0.615 C 1.644 14 residues pruned to eliminate duplicates Z: 10 3.674 1.554 0.484 0.184 0.667 0.444 CB 1.165 10 residues pruned to eliminate duplicates Z: 9 14.832 2.183 0.254 0.857 0.875 0.875 CA 1.614 9 residues pruned to eliminate duplicates Z: 6 3.413 1.882 0.348 0.364 0.800 0.600 CB 0.871 6 residues pruned to eliminate duplicates Z: 9 17.645 2.199 0.206 0.909 1.000 1.000 CB 1.670 9 residues pruned to eliminate duplicates Z: 10 15.047 2.165 0.039 0.899 1.000 1.000 CB 1.595 10 residues pruned to eliminate duplicates Z: 19 41.015 2.244 0.841 0.865 1.000 0.722 CA 1.714 19 residues pruned to eliminate duplicates Z: 11 18.116 1.977 0.629 0.838 1.000 0.800 CA 1.330 11 residues pruned to eliminate duplicates Z: 14 26.978 2.120 0.658 0.861 1.000 0.846 CB 1.564 14 residues pruned to eliminate duplicates Z: 24 38.485 2.265 0.653 0.761 0.957 0.652 CB 1.777 24 residues pruned to eliminate duplicates Z: 8 14.726 2.136 0.348 0.849 1.000 0.857 CB 1.433 8 residues pruned to eliminate duplicates Z: 10 12.531 2.049 0.197 0.880 0.889 0.667 CB 1.388 10 residues pruned to eliminate duplicates Z: 13 29.355 2.106 0.821 0.928 1.000 0.917 C 1.548 13 residues pruned to eliminate duplicates Z: 9 27.271 2.179 0.743 0.889 1.000 0.875 CA 1.827 9 residues pruned to eliminate duplicates Z: 10 23.253 2.237 0.392 0.899 1.000 0.889 CB 1.779 10 residues pruned to eliminate duplicates Z: 14 16.553 2.063 0.192 0.823 0.923 0.769 CB 1.529 14 residues pruned to eliminate duplicates Z: 18 47.325 2.264 1.092 0.895 1.000 0.824 CA 1.737 18 residues pruned to eliminate duplicates Z: 12 11.590 1.844 0.776 0.413 1.000 0.636 CB 1.169 11 residues pruned to eliminate duplicates Z: 13 26.268 2.054 0.741 0.900 1.000 0.917 CB 1.514 13 residues pruned to eliminate duplicates Z: 15 11.240 2.033 0.787 0.218 0.857 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 11 22.859 1.899 0.771 0.830 1.000 0.800 CA 1.616 11 residues pruned to eliminate duplicates Z: 7 17.587 2.227 0.404 0.883 1.000 1.000 CA 1.660 7 residues pruned to eliminate duplicates Z: 21 38.686 2.205 0.862 0.805 0.900 0.750 CB 1.794 21 residues pruned to eliminate duplicates Z: 82 51.259 2.183 0.540 0.647 0.963 0.630 CB 1.533 82 residues pruned to eliminate duplicates Z: 13 27.635 2.129 0.701 0.876 1.000 0.833 CB 1.601 13 residues pruned to eliminate duplicates Z: 17 31.843 2.314 0.382 0.918 1.000 0.938 CB 1.756 17 residues pruned to eliminate duplicates Z: 16 47.745 2.189 1.167 0.915 1.000 0.933 CA 1.837 16 residues pruned to eliminate duplicates Z: 12 20.315 1.943 0.587 0.907 1.000 0.727 CB 1.412 12 residues pruned to eliminate duplicates Z: 23 39.257 2.187 0.834 0.808 0.955 0.727 CB 1.671 23 residues pruned to eliminate duplicates Z: 159 89.066 2.317 0.686 0.610 0.943 0.646 CB 1.733 159 residues pruned to eliminate duplicates Z: 9 12.563 2.098 0.416 0.746 0.750 0.625 C 1.600 9 residues pruned to eliminate duplicates Z: 12 21.310 2.116 0.288 0.923 1.000 1.000 CB 1.657 12 residues pruned to eliminate duplicates Z: 13 30.020 2.150 0.930 0.866 1.000 0.750 CB 1.530 13 residues pruned to eliminate duplicates Z: 15 51.739 2.306 1.219 0.906 1.000 0.786 CA 1.922 15 residues pruned to eliminate duplicates Z: 20 38.696 2.211 0.846 0.883 0.947 0.789 C 1.660 20 residues pruned to eliminate duplicates Z: 112 69.277 2.321 0.595 0.590 0.910 0.649 CB 1.791 112 residues pruned to eliminate duplicates Z: 22 22.722 2.074 0.453 0.723 0.857 0.619 CB 1.569 22 residues pruned to eliminate duplicates Z: 13 22.506 2.033 0.684 0.705 1.000 0.667 C 1.576 13 residues pruned to eliminate duplicates Z: 19 47.126 2.336 1.088 0.771 0.944 0.722 CB 1.896 19 residues pruned to eliminate duplicates Z: 15 38.785 2.286 0.813 0.897 1.000 1.000 C 1.790 15 residues pruned to eliminate duplicates Z: 12 19.325 2.058 0.403 0.885 1.000 0.818 CB 1.457 12 residues pruned to eliminate duplicates Z: 25 49.131 2.315 0.983 0.758 0.958 0.708 C 1.813 25 residues pruned to eliminate duplicates Z: 13 20.564 2.084 0.289 0.896 1.000 0.917 CB 1.583 13 residues pruned to eliminate duplicates Z: 10 11.345 2.107 -0.046 0.865 0.889 0.667 CB 1.550 10 residues pruned to eliminate duplicates Z: 10 17.707 2.024 0.634 0.778 1.000 0.667 CA 1.396 10 residues pruned to eliminate duplicates Z: 100 70.201 2.348 0.619 0.629 0.909 0.677 CB 1.808 100 residues pruned to eliminate duplicates Z: 12 27.918 2.163 0.684 0.931 1.000 1.000 C 1.615 12 residues pruned to eliminate duplicates Z: 24 40.739 2.356 0.535 0.778 1.000 0.522 CA 1.838 24 residues pruned to eliminate duplicates Z: 14 30.702 2.017 0.846 0.871 1.000 0.846 C 1.667 14 residues pruned to eliminate duplicates Z: 22 33.152 2.228 0.386 0.859 0.952 0.857 CB 1.810 22 residues pruned to eliminate duplicates Z: 16 18.162 1.948 0.316 0.771 0.933 0.600 CB 1.542 16 residues pruned to eliminate duplicates Z: 19 32.260 2.266 0.526 0.865 0.944 0.833 CB 1.704 19 residues pruned to eliminate duplicates Z: 11 22.636 2.054 0.454 0.919 1.000 0.700 CB 1.689 11 residues pruned to eliminate duplicates Z: 56 50.127 2.271 0.699 0.628 0.964 0.727 CB 1.613 56 residues pruned to eliminate duplicates Z: 8 10.853 2.173 0.340 0.482 1.000 0.714 CB 1.435 Z: 35 33.781 2.331 0.575 0.528 0.912 0.735 CB 1.684 35 residues pruned to eliminate duplicates Z: 6 5.043 1.728 0.675 0.275 0.800 0.400 CB 1.258 6 residues pruned to eliminate duplicates Z: 98 62.270 2.212 0.714 0.656 0.928 0.660 CB 1.554 98 residues pruned to eliminate duplicates Z: 19 35.752 2.317 0.497 0.864 0.944 0.833 CA 1.886 19 residues pruned to eliminate duplicates Z: 13 27.707 2.089 0.731 0.886 1.000 0.833 CA 1.596 13 residues pruned to eliminate duplicates Z: 64 53.290 2.358 0.772 0.533 0.889 0.635 CB 1.749 64 residues pruned to eliminate duplicates Z: 22 40.277 2.160 0.777 0.897 0.952 0.810 CB 1.721 22 residues pruned to eliminate duplicates Z: 11 18.302 2.099 0.463 0.873 0.900 0.900 CA 1.526 11 residues pruned to eliminate duplicates Z: 11 19.151 1.980 0.290 0.915 1.000 0.800 CB 1.675 11 residues pruned to eliminate duplicates Z: 21 31.000 2.223 0.555 0.855 0.850 0.650 C 1.740 21 residues pruned to eliminate duplicates Z: 8 13.764 2.278 0.030 0.885 1.000 1.000 CA 1.600 8 residues pruned to eliminate duplicates Z: 13 21.009 2.054 0.520 0.884 1.000 0.750 C 1.404 13 residues pruned to eliminate duplicates Z: 35 29.015 2.037 0.817 0.707 0.882 0.735 CB 1.263 35 residues pruned to eliminate duplicates Z: 12 9.068 1.936 0.406 0.520 0.909 0.636 CB 1.083 8 residues pruned to eliminate duplicates Z: 14 42.487 2.236 1.178 0.832 1.000 0.462 CA 1.816 14 residues pruned to eliminate duplicates Z: 13 19.755 2.043 0.309 0.889 1.000 0.917 CB 1.535 13 residues pruned to eliminate duplicates Z: 14 19.137 1.984 0.260 0.894 1.000 0.615 CB 1.523 14 residues pruned to eliminate duplicates Z: 7 2.983 1.490 0.571 0.248 0.667 0.667 C 1.043 7 residues pruned to eliminate duplicates Z: 12 44.148 2.434 0.936 0.932 1.000 0.727 CB 1.973 12 residues pruned to eliminate duplicates Z: 18 36.549 2.278 0.746 0.866 0.941 0.647 CB 1.734 18 residues pruned to eliminate duplicates Z: 72 63.049 2.397 0.662 0.606 0.944 0.634 CB 1.801 72 residues pruned to eliminate duplicates Z: 12 17.837 2.091 0.387 0.715 0.909 0.909 CA 1.679 12 residues pruned to eliminate duplicates Z: 16 55.979 2.463 1.141 0.942 1.000 1.000 C 1.901 16 residues pruned to eliminate duplicates Z: 35 51.193 2.395 0.786 0.657 0.912 0.676 CB 1.944 35 residues pruned to eliminate duplicates Z: 22 30.115 2.258 0.327 0.815 0.952 0.714 CB 1.752 22 residues pruned to eliminate duplicates Z: 74 49.597 2.219 0.637 0.592 0.945 0.685 CB 1.549 73 residues pruned to eliminate duplicates Z: 98 63.631 2.208 0.737 0.662 0.928 0.732 CB 1.562 98 residues pruned to eliminate duplicates Z: 13 24.816 2.095 0.595 0.863 1.000 0.667 CB 1.573 13 residues pruned to eliminate duplicates Z: 104 59.347 2.253 0.614 0.570 0.903 0.680 CB 1.665 104 residues pruned to eliminate duplicates Z: 44 43.343 2.261 0.647 0.601 0.953 0.605 CB 1.691 44 residues pruned to eliminate duplicates Z: 10 24.110 2.321 0.287 0.882 1.000 1.000 C 1.946 10 residues pruned to eliminate duplicates Z: 14 11.323 1.831 0.715 0.356 0.923 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 13 29.595 2.109 0.979 0.900 1.000 0.667 CB 1.462 13 residues pruned to eliminate duplicates Z: 69 49.048 2.134 0.737 0.674 0.926 0.603 CB 1.475 69 residues pruned to eliminate duplicates Z: 13 9.310 1.986 0.462 0.347 0.917 0.583 CB 1.191 12 residues pruned to eliminate duplicates Z: 73 56.483 2.310 0.606 0.617 0.917 0.653 CB 1.752 73 residues pruned to eliminate duplicates Z: 13 25.557 2.100 0.603 0.881 1.000 1.000 CB 1.587 13 residues pruned to eliminate duplicates Z: 44 50.580 2.291 0.786 0.654 1.000 0.721 CB 1.633 46 residues pruned to eliminate duplicates Z: 14 24.648 2.266 0.696 0.599 0.923 0.538 CA 1.754 14 residues pruned to eliminate duplicates Z: 19 22.531 2.158 0.491 0.621 1.000 0.611 CB 1.473 19 residues pruned to eliminate duplicates Z: 15 13.382 1.818 0.780 0.391 0.929 0.714 CB 1.336 11 residues pruned to eliminate duplicates Z: 12 9.894 1.518 0.366 0.880 1.000 0.909 CB 1.043 12 residues pruned to eliminate duplicates Z: 49 49.871 2.333 0.757 0.579 0.896 0.625 CB 1.817 49 residues pruned to eliminate duplicates Z: 12 24.737 2.205 0.437 0.923 1.000 0.909 CB 1.654 12 residues pruned to eliminate duplicates Z: 14 16.973 1.935 0.265 0.882 1.000 0.846 CB 1.392 14 residues pruned to eliminate duplicates Z: 19 24.268 2.114 0.494 0.641 0.944 0.667 CB 1.680 17 residues pruned to eliminate duplicates Z: 23 40.628 2.190 0.677 0.878 0.955 0.636 C 1.794 23 residues pruned to eliminate duplicates Z: 8 13.594 2.294 -0.003 0.915 1.000 1.000 CA 1.588 8 residues pruned to eliminate duplicates Z: 13 30.103 2.142 0.628 0.879 1.000 0.750 CA 1.808 13 residues pruned to eliminate duplicates Z: 13 24.994 2.062 0.537 0.922 1.000 1.000 CB 1.601 13 residues pruned to eliminate duplicates Z: 6 5.950 1.699 0.012 0.767 1.000 0.800 CA 1.222 6 residues pruned to eliminate duplicates Z: 22 39.843 2.191 0.698 0.853 1.000 0.667 C 1.727 22 residues pruned to eliminate duplicates Z: 15 32.169 2.254 0.582 0.872 1.000 0.786 CB 1.757 15 residues pruned to eliminate duplicates Z: 9 10.984 2.230 0.028 0.867 0.875 0.750 CA 1.417 9 residues pruned to eliminate duplicates Z: 13 9.273 2.033 0.557 0.440 0.833 0.583 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 11.496 1.780 0.346 0.820 1.000 0.778 CB 1.212 10 residues pruned to eliminate duplicates Z: 9 15.011 1.902 0.457 0.870 1.000 1.000 CA 1.398 9 residues pruned to eliminate duplicates Z: 14 25.032 2.092 0.543 0.843 1.000 0.846 C 1.601 14 residues pruned to eliminate duplicates Z: 19 20.604 2.151 0.491 0.513 0.944 0.778 CB 1.582 19 residues pruned to eliminate duplicates Z: 12 29.309 2.143 0.822 0.920 1.000 1.000 CB 1.594 12 residues pruned to eliminate duplicates Z: 6 9.013 1.950 0.674 0.484 0.800 0.400 CA 1.569 Z: 30 26.898 2.193 0.479 0.603 0.966 0.655 CB 1.446 30 residues pruned to eliminate duplicates Z: 16 9.879 1.823 0.651 0.275 0.867 0.667 CB 1.261 16 residues pruned to eliminate duplicates Z: 8 9.087 1.983 0.194 0.801 1.000 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 20 30.974 2.316 0.337 0.808 0.947 0.789 CB 1.852 20 residues pruned to eliminate duplicates Z: 20 31.038 2.137 0.738 0.808 0.947 0.474 C 1.547 20 residues pruned to eliminate duplicates Z: 12 24.014 2.160 0.497 0.923 1.000 0.909 CB 1.574 12 residues pruned to eliminate duplicates Z: 12 10.173 1.545 0.414 0.864 1.000 0.909 CB 1.030 12 residues pruned to eliminate duplicates Z: 14 24.472 2.078 0.609 0.819 1.000 0.692 CB 1.540 14 residues pruned to eliminate duplicates Z: 10 11.784 2.081 0.436 0.428 0.889 0.667 CB 1.594 10 residues pruned to eliminate duplicates Z: 13 27.359 2.099 0.601 0.864 1.000 1.000 CB 1.723 13 residues pruned to eliminate duplicates Z: 18 36.978 2.342 0.670 0.874 0.941 0.941 CB 1.773 18 residues pruned to eliminate duplicates Z: 46 41.799 2.337 0.639 0.557 0.911 0.711 CB 1.690 46 residues pruned to eliminate duplicates Z: 10 10.444 1.946 0.318 0.807 0.889 0.556 CB 1.168 9 residues pruned to eliminate duplicates Z: 9 10.984 2.011 0.176 0.773 0.875 0.625 CA 1.474 9 residues pruned to eliminate duplicates Z: 44 43.021 2.296 0.667 0.605 0.953 0.674 CB 1.626 44 residues pruned to eliminate duplicates Z: 19 45.248 2.219 1.024 0.883 1.000 0.833 CA 1.717 19 residues pruned to eliminate duplicates Z: 10 35.829 2.261 1.048 0.916 1.000 0.556 CB 1.822 10 residues pruned to eliminate duplicates Z: 50 43.696 2.279 0.679 0.576 0.918 0.633 CB 1.651 50 residues pruned to eliminate duplicates Z: 15 36.341 2.280 0.854 0.905 0.929 0.714 CB 1.761 15 residues pruned to eliminate duplicates Z: 10 9.616 1.969 -0.122 0.851 1.000 0.889 CB 1.373 10 residues pruned to eliminate duplicates Z: 21 20.767 2.091 0.528 0.586 0.900 0.850 CB 1.488 21 residues pruned to eliminate duplicates Z: 73 63.722 2.390 0.649 0.635 0.917 0.681 CB 1.831 73 residues pruned to eliminate duplicates Z: 11 18.741 1.914 0.494 0.862 1.000 0.500 CB 1.522 11 residues pruned to eliminate duplicates Z: 12 21.107 2.035 0.357 0.899 1.000 0.909 CB 1.648 12 residues pruned to eliminate duplicates Z: 13 33.308 2.453 0.412 0.929 1.000 0.917 CB 1.943 13 residues pruned to eliminate duplicates Z: 17 30.616 2.119 0.678 0.805 0.938 0.750 CB 1.760 17 residues pruned to eliminate duplicates Z: 13 22.420 2.101 0.344 0.924 1.000 0.917 CA 1.609 13 residues pruned to eliminate duplicates Z: 21 26.001 2.277 0.609 0.559 0.900 0.600 CB 1.665 21 residues pruned to eliminate duplicates Z: 64 50.679 2.199 0.558 0.685 0.937 0.683 CB 1.679 64 residues pruned to eliminate duplicates Z: 62 51.055 2.337 0.697 0.558 0.918 0.672 CB 1.696 62 residues pruned to eliminate duplicates Z: 24 16.808 1.975 0.586 0.399 0.826 0.565 C 1.507 24 residues pruned to eliminate duplicates Z: 13 22.663 2.071 0.444 0.907 1.000 1.000 CB 1.555 13 residues pruned to eliminate duplicates Z: 13 23.429 2.043 0.820 0.880 0.917 0.833 C 1.438 13 residues pruned to eliminate duplicates Z: 16 51.173 2.450 1.022 0.945 1.000 0.933 C 1.847 16 residues pruned to eliminate duplicates Z: 22 18.326 1.882 0.740 0.687 0.905 0.762 CB 1.137 22 residues pruned to eliminate duplicates Z: 11 32.753 2.307 0.794 0.919 1.000 1.000 C 1.764 11 residues pruned to eliminate duplicates Z: 23 38.863 2.190 0.642 0.870 0.955 0.818 CB 1.762 23 residues pruned to eliminate duplicates Z: 14 7.660 1.982 0.319 0.352 0.923 0.538 CB 1.033 14 residues pruned to eliminate duplicates Z: 19 35.420 2.235 0.695 0.874 0.944 0.500 CB 1.698 19 residues pruned to eliminate duplicates Z: 83 48.983 2.128 0.689 0.650 0.890 0.720 CB 1.471 83 residues pruned to eliminate duplicates Z: 8 14.755 2.323 0.570 0.423 1.000 0.857 CB 1.657 8 residues pruned to eliminate duplicates Z: 98 64.926 2.208 0.760 0.656 0.928 0.639 CB 1.581 98 residues pruned to eliminate duplicates Z: 9 12.118 2.007 0.424 0.911 1.000 1.000 CB 1.063 9 residues pruned to eliminate duplicates Z: 26 30.771 2.101 0.820 0.577 0.840 0.680 CB 1.779 26 residues pruned to eliminate duplicates Z: 27 21.179 2.071 0.707 0.492 1.000 0.577 CB 1.184 27 residues pruned to eliminate duplicates Z: 19 10.956 1.975 0.580 0.311 0.833 0.500 CB 1.224 19 residues pruned to eliminate duplicates Z: 27 24.865 2.116 0.635 0.597 0.923 0.692 CB 1.393 27 residues pruned to eliminate duplicates Z: 17 48.381 2.286 1.044 0.889 1.000 0.625 CA 1.864 17 residues pruned to eliminate duplicates Z: 17 43.025 2.412 0.639 0.921 1.000 0.875 CB 1.915 17 residues pruned to eliminate duplicates Z: 10 17.692 2.172 0.170 0.887 1.000 0.889 CA 1.674 10 residues pruned to eliminate duplicates Z: 19 34.428 2.244 0.587 0.909 1.000 0.667 CB 1.618 19 residues pruned to eliminate duplicates Z: 18 25.846 2.277 0.514 0.581 0.941 0.765 CB 1.787 18 residues pruned to eliminate duplicates Z: 118 67.923 2.282 0.668 0.599 0.872 0.632 CB 1.722 118 residues pruned to eliminate duplicates Z: 70 41.774 2.189 0.538 0.568 0.899 0.609 CB 1.556 70 residues pruned to eliminate duplicates Z: 30 29.493 2.194 0.400 0.626 0.931 0.759 CB 1.701 30 residues pruned to eliminate duplicates Z: 13 23.907 2.112 0.684 0.825 1.000 0.667 CB 1.465 13 residues pruned to eliminate duplicates Z: 35 40.459 2.187 0.858 0.601 0.912 0.618 CB 1.702 35 residues pruned to eliminate duplicates Z: 14 27.811 2.159 0.630 0.918 0.923 0.692 CB 1.675 14 residues pruned to eliminate duplicates Z: 20 38.806 2.328 0.570 0.818 1.000 0.684 C 1.848 20 residues pruned to eliminate duplicates Z: 15 44.865 2.273 1.081 0.913 1.000 0.857 C 1.794 16 residues pruned to eliminate duplicates Z: 12 22.665 2.133 0.665 0.925 0.909 0.818 CB 1.485 12 residues pruned to eliminate duplicates Z: 16 26.336 2.184 0.439 0.724 1.000 0.933 CA 1.767 16 residues pruned to eliminate duplicates Z: 11 17.304 2.078 0.681 0.797 0.800 0.400 CA 1.509 11 residues pruned to eliminate duplicates Z: 11 10.598 1.614 0.340 0.895 1.000 1.000 CB 1.111 11 residues pruned to eliminate duplicates Z: 35 39.067 2.128 0.846 0.650 0.912 0.765 CB 1.626 35 residues pruned to eliminate duplicates Z: 11 13.811 1.828 0.260 0.867 1.000 0.800 CA 1.387 11 residues pruned to eliminate duplicates Z: 14 15.371 2.164 0.450 0.480 0.846 0.462 CA 1.639 14 residues pruned to eliminate duplicates Z: 33 33.771 2.002 0.929 0.744 0.938 0.531 CB 1.325 33 residues pruned to eliminate duplicates Z: 15 30.137 2.186 0.569 0.893 1.000 0.786 C 1.686 15 residues pruned to eliminate duplicates Z: 39 45.133 2.360 0.593 0.713 0.895 0.789 CB 1.795 39 residues pruned to eliminate duplicates Z: 18 41.990 2.248 0.835 0.906 1.000 0.941 CA 1.756 18 residues pruned to eliminate duplicates Z: 44 38.942 2.293 0.716 0.472 0.930 0.698 CB 1.669 44 residues pruned to eliminate duplicates Z: 8 14.881 2.042 0.452 0.862 1.000 0.714 CB 1.392 8 residues pruned to eliminate duplicates Z: 8 16.209 2.212 0.399 0.840 0.857 0.714 CB 1.723 8 residues pruned to eliminate duplicates Z: 74 57.318 2.323 0.586 0.615 0.918 0.685 CB 1.778 74 residues pruned to eliminate duplicates Z: 8 16.082 2.102 0.565 0.863 1.000 0.714 CB 1.355 8 residues pruned to eliminate duplicates Z: 12 24.332 2.023 0.768 0.854 1.000 0.636 CA 1.515 12 residues pruned to eliminate duplicates Z: 19 42.502 2.346 0.696 0.882 1.000 0.778 CB 1.821 19 residues pruned to eliminate duplicates Z: 24 26.607 2.101 0.617 0.621 0.957 0.739 CB 1.523 24 residues pruned to eliminate duplicates Z: 43 45.521 2.244 0.742 0.595 1.000 0.762 CB 1.642 43 residues pruned to eliminate duplicates Z: 9 17.206 2.097 0.263 0.892 1.000 0.750 CA 1.651 9 residues pruned to eliminate duplicates Z: 6 3.966 1.538 0.278 0.338 1.000 0.800 CB 1.077 6 residues pruned to eliminate duplicates Z: 7 11.830 2.025 0.957 0.648 0.833 0.833 C 1.274 7 residues pruned to eliminate duplicates Z: 11 3.926 1.592 -0.059 0.275 0.900 0.500 CB 1.189 11 residues pruned to eliminate duplicates Z: 28 28.427 2.187 0.607 0.587 0.889 0.741 CB 1.611 28 residues pruned to eliminate duplicates Z: 40 40.695 2.271 0.605 0.598 0.974 0.641 CB 1.671 40 residues pruned to eliminate duplicates Z: 22 20.124 2.135 0.408 0.499 0.857 0.619 C 1.706 22 residues pruned to eliminate duplicates Z: 14 39.456 2.338 0.884 0.889 1.000 0.846 CB 1.789 14 residues pruned to eliminate duplicates Z: 12 19.527 2.096 0.371 0.916 1.000 0.909 CB 1.447 12 residues pruned to eliminate duplicates Z: 9 4.873 1.603 0.906 0.369 0.875 0.625 CB 0.741 9 residues pruned to eliminate duplicates Z: 66 56.505 2.276 0.610 0.686 0.923 0.692 CB 1.748 66 residues pruned to eliminate duplicates Z: 32 25.929 2.128 0.597 0.550 0.935 0.581 CB 1.396 32 residues pruned to eliminate duplicates Z: 17 54.634 2.413 1.116 0.897 1.000 0.688 CA 1.915 17 residues pruned to eliminate duplicates Z: 12 17.878 1.914 0.684 0.576 1.000 0.727 CA 1.555 12 residues pruned to eliminate duplicates Z: 13 13.289 2.205 0.708 0.306 0.750 0.333 CB 1.684 13 residues pruned to eliminate duplicates Z: 11 23.896 2.023 0.726 0.929 1.000 0.900 CB 1.514 11 residues pruned to eliminate duplicates Z: 40 29.542 2.015 0.602 0.682 0.923 0.692 CB 1.343 40 residues pruned to eliminate duplicates Z: 35 31.806 2.201 0.449 0.634 0.882 0.647 CB 1.711 31 residues pruned to eliminate duplicates Z: 16 38.922 2.087 1.052 0.880 1.000 0.667 CA 1.701 16 residues pruned to eliminate duplicates Z: 6 7.803 2.080 0.069 0.649 1.000 0.800 CB 1.366 6 residues pruned to eliminate duplicates Z: 107 74.956 2.359 0.643 0.626 0.925 0.717 CB 1.805 107 residues pruned to eliminate duplicates Z: 46 45.893 2.188 0.850 0.593 0.867 0.511 CB 1.784 76 residues pruned to eliminate duplicates Z: 48 40.010 2.266 0.487 0.573 0.936 0.638 CB 1.724 48 residues pruned to eliminate duplicates Z: 9 13.802 2.153 0.643 0.533 0.875 0.875 C 1.526 9 residues pruned to eliminate duplicates Z: 14 33.231 2.042 1.006 0.909 1.000 0.923 C 1.596 14 residues pruned to eliminate duplicates Z: 13 8.796 1.752 0.647 0.413 0.750 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 7 2.115 1.467 0.332 0.255 0.833 0.500 CB 0.702 7 residues pruned to eliminate duplicates Z: 13 22.593 1.989 0.545 0.837 1.000 0.833 C 1.587 13 residues pruned to eliminate duplicates Z: 47 54.410 2.267 0.950 0.625 0.913 0.500 CB 1.767 47 residues pruned to eliminate duplicates Z: 10 18.184 2.232 0.385 0.887 1.000 0.889 CA 1.414 10 residues pruned to eliminate duplicates Z: 13 12.084 1.480 0.649 0.919 1.000 0.917 CB 1.007 13 residues pruned to eliminate duplicates Z: 10 10.962 2.057 0.597 0.395 0.778 0.444 CB 1.598 10 residues pruned to eliminate duplicates Z: 84 65.053 2.357 0.633 0.584 0.928 0.590 CB 1.844 72 residues pruned to eliminate duplicates Z: 70 44.377 2.199 0.633 0.528 0.884 0.594 CB 1.637 70 residues pruned to eliminate duplicates Z: 9 15.118 2.117 0.088 0.854 1.000 0.750 CA 1.715 9 residues pruned to eliminate duplicates Z: 42 40.461 2.306 0.684 0.514 0.951 0.659 CB 1.686 42 residues pruned to eliminate duplicates Z: 31 43.554 2.404 0.804 0.591 0.933 0.633 CB 1.801 31 residues pruned to eliminate duplicates Z: 14 10.268 1.920 0.181 0.607 0.846 0.462 CB 1.340 14 residues pruned to eliminate duplicates Z: 12 14.942 1.741 0.761 0.800 0.909 0.636 CB 1.243 12 residues pruned to eliminate duplicates Z: 14 31.215 2.312 0.513 0.925 1.000 1.000 CB 1.738 14 residues pruned to eliminate duplicates Z: 38 28.132 1.998 0.695 0.685 0.892 0.703 CB 1.292 38 residues pruned to eliminate duplicates Z: 76 62.827 2.278 0.719 0.641 0.920 0.640 CB 1.765 76 residues pruned to eliminate duplicates Z: 15 18.321 1.990 0.151 0.860 0.929 0.929 CB 1.693 15 residues pruned to eliminate duplicates Z: 69 48.296 2.255 0.703 0.586 0.868 0.632 CB 1.618 69 residues pruned to eliminate duplicates Z: 10 20.324 2.269 0.726 0.580 0.889 0.667 CA 1.802 10 residues pruned to eliminate duplicates Z: 6 10.922 2.043 0.327 0.658 1.000 0.800 CA 1.556 6 residues pruned to eliminate duplicates Z: 22 33.191 2.427 0.794 0.595 0.857 0.714 CB 1.772 22 residues pruned to eliminate duplicates Z: 14 25.403 2.249 0.378 0.879 1.000 0.846 C 1.649 14 residues pruned to eliminate duplicates Z: 13 7.080 1.737 0.362 0.301 0.833 0.500 CB 1.295 13 residues pruned to eliminate duplicates Z: 39 43.794 2.322 0.733 0.585 0.947 0.632 CB 1.718 39 residues pruned to eliminate duplicates Z: 38 36.626 2.269 0.635 0.479 0.973 0.676 CB 1.703 38 residues pruned to eliminate duplicates Z: 14 12.561 1.979 0.345 0.549 0.846 0.692 CB 1.476 14 residues pruned to eliminate duplicates Z: 84 45.303 2.177 0.539 0.609 0.867 0.651 CB 1.544 84 residues pruned to eliminate duplicates Z: 39 37.019 2.318 0.448 0.562 0.921 0.632 CB 1.828 39 residues pruned to eliminate duplicates Z: 16 46.821 2.403 0.933 0.910 1.000 0.800 CB 1.846 16 residues pruned to eliminate duplicates Z: 6 4.671 1.974 0.193 0.302 0.800 0.800 CA 1.382 6 residues pruned to eliminate duplicates Z: 34 44.468 2.243 0.995 0.588 0.909 0.667 CB 1.748 34 residues pruned to eliminate duplicates 9 1.714 1.341 0.187 0.267 0.625 0.500 CB 0.795 ? Z: 43 38.777 2.347 0.500 0.505 0.929 0.714 CB 1.821 43 residues pruned to eliminate duplicates Z: 17 19.956 2.016 0.365 0.833 0.875 0.750 CA 1.555 17 residues pruned to eliminate duplicates Z: 13 13.177 2.149 0.346 0.425 0.917 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 9 24.282 2.300 0.888 0.743 0.875 0.625 CB 1.818 9 residues pruned to eliminate duplicates Z: 18 34.244 2.249 0.814 0.847 1.000 0.765 CB 1.511 18 residues pruned to eliminate duplicates Z: 13 9.361 1.457 0.563 0.921 1.000 0.917 CB 0.835 13 residues pruned to eliminate duplicates Z: 7 6.702 1.670 0.608 0.613 0.833 0.667 CB 1.098 6 residues pruned to eliminate duplicates Z: 19 19.751 2.155 0.288 0.571 0.944 0.556 CB 1.658 19 residues pruned to eliminate duplicates Z: 17 22.131 2.424 0.647 0.428 0.875 0.625 CB 1.707 17 residues pruned to eliminate duplicates Z: 12 46.992 2.438 1.063 0.919 1.000 0.636 C 1.984 12 residues pruned to eliminate duplicates Z: 13 18.495 1.980 0.454 0.925 1.000 0.917 CB 1.302 13 residues pruned to eliminate duplicates Z: 29 34.692 2.198 0.821 0.535 0.964 0.714 CB 1.642 29 residues pruned to eliminate duplicates Z: 13 11.670 1.502 0.530 0.905 1.000 0.917 CB 1.043 12 residues pruned to eliminate duplicates Z: 36 24.538 2.102 0.543 0.434 0.943 0.629 CB 1.451 36 residues pruned to eliminate duplicates Z: 42 52.852 2.384 0.711 0.633 0.927 0.707 C 1.926 42 residues pruned to eliminate duplicates Z: 8 17.300 2.366 0.728 0.438 1.000 1.000 CA 1.704 8 residues pruned to eliminate duplicates Z: 33 30.739 2.220 0.575 0.537 0.938 0.688 CB 1.599 33 residues pruned to eliminate duplicates Z: 18 50.213 2.289 1.152 0.836 1.000 0.471 CA 1.850 18 residues pruned to eliminate duplicates Z: 11 9.270 1.820 0.911 0.320 0.900 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 17 38.312 2.348 0.641 0.883 1.000 0.938 CB 1.798 17 residues pruned to eliminate duplicates Z: 28 25.415 2.160 0.418 0.586 0.926 0.630 CB 1.588 28 residues pruned to eliminate duplicates Z: 9 15.180 1.947 0.609 0.890 1.000 0.750 CB 1.233 Z: 20 20.695 2.060 0.744 0.623 0.895 0.632 CB 1.315 20 residues pruned to eliminate duplicates Z: 6 6.644 2.089 0.449 0.299 0.800 0.600 CB 1.535 6 residues pruned to eliminate duplicates Z: 24 25.593 2.232 0.573 0.506 0.870 0.565 CB 1.738 24 residues pruned to eliminate duplicates Z: 6 8.330 1.833 0.316 0.727 1.000 0.400 CA 1.259 6 residues pruned to eliminate duplicates Z: 10 16.120 1.815 0.537 0.859 1.000 0.778 CA 1.418 10 residues pruned to eliminate duplicates Z: 89 54.336 2.270 0.719 0.485 0.920 0.568 CB 1.638 89 residues pruned to eliminate duplicates Z: 17 59.528 2.473 1.269 0.890 1.000 0.875 CB 1.908 17 residues pruned to eliminate duplicates Z: 38 48.549 2.362 0.901 0.557 0.919 0.541 CB 1.831 38 residues pruned to eliminate duplicates Z: 14 17.327 1.939 0.268 0.902 1.000 0.923 CB 1.393 14 residues pruned to eliminate duplicates Z: 12 10.177 2.050 0.587 0.367 0.909 0.364 CB 1.197 12 residues pruned to eliminate duplicates Z: 9 15.128 2.202 0.363 0.823 0.875 0.750 CA 1.540 9 residues pruned to eliminate duplicates Z: 148 79.858 2.291 0.607 0.599 0.939 0.646 CB 1.735 148 residues pruned to eliminate duplicates Z: 18 42.924 2.267 0.882 0.931 1.000 0.824 C 1.705 18 residues pruned to eliminate duplicates Z: 15 15.691 1.962 0.366 0.543 0.929 0.643 CA 1.615 15 residues pruned to eliminate duplicates Z: 12 15.093 2.022 0.171 0.918 1.000 0.636 CB 1.355 12 residues pruned to eliminate duplicates Z: 12 10.061 1.513 0.410 0.905 1.000 0.909 CB 1.012 12 residues pruned to eliminate duplicates Z: 19 40.976 2.202 1.030 0.829 0.944 0.667 CA 1.722 19 residues pruned to eliminate duplicates Z: 7 5.922 1.571 0.744 0.453 1.000 0.500 CB 0.925 7 residues pruned to eliminate duplicates Z: 73 39.404 2.156 0.542 0.559 0.917 0.694 CB 1.439 73 residues pruned to eliminate duplicates Z: 21 26.538 2.112 0.785 0.528 0.950 0.650 CB 1.611 21 residues pruned to eliminate duplicates Z: 9 16.262 1.934 0.824 0.800 1.000 0.875 C 1.253 9 residues pruned to eliminate duplicates Z: 37 22.656 2.058 0.343 0.577 0.917 0.750 CB 1.384 37 residues pruned to eliminate duplicates Z: 10 9.301 1.638 0.486 0.677 1.000 0.444 CB 1.082 10 residues pruned to eliminate duplicates Z: 88 63.435 2.232 0.728 0.656 0.931 0.724 CB 1.638 88 residues pruned to eliminate duplicates Z: 7 8.188 2.138 0.192 0.582 0.833 0.667 CB 1.455 7 residues pruned to eliminate duplicates Z: 41 34.563 2.264 0.644 0.426 0.925 0.625 CB 1.715 41 residues pruned to eliminate duplicates Z: 24 19.436 2.216 0.468 0.444 0.826 0.565 CB 1.597 24 residues pruned to eliminate duplicates Z: 16 49.093 2.127 1.401 0.890 1.000 0.400 CA 1.786 16 residues pruned to eliminate duplicates Z: 14 14.290 2.306 0.545 0.363 0.846 0.462 CB 1.524 14 residues pruned to eliminate duplicates Z: 6 2.727 1.734 0.185 0.430 0.600 0.400 CA 1.064 6 residues pruned to eliminate duplicates Z: 13 10.604 1.456 0.426 0.900 1.000 0.917 CB 1.052 13 residues pruned to eliminate duplicates Z: 12 33.893 2.544 0.356 0.867 1.000 0.909 C 2.168 12 residues pruned to eliminate duplicates Z: 19 34.200 2.152 0.930 0.861 0.833 0.611 CA 1.711 19 residues pruned to eliminate duplicates Z: 9 11.926 2.154 0.159 0.557 0.875 0.750 CB 1.826 9 residues pruned to eliminate duplicates Z: 23 33.103 2.258 0.509 0.798 0.909 0.682 CA 1.756 23 residues pruned to eliminate duplicates Z: 94 72.344 2.346 0.718 0.586 0.957 0.624 CB 1.791 94 residues pruned to eliminate duplicates Z: 32 34.225 2.282 0.579 0.576 0.968 0.645 CB 1.639 32 residues pruned to eliminate duplicates Z: 9 17.597 2.452 0.818 0.508 0.875 0.500 CB 1.582 9 residues pruned to eliminate duplicates Z: 13 11.758 1.879 0.636 0.440 0.917 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 10 26.296 2.327 0.551 0.877 1.000 0.778 CB 1.763 10 residues pruned to eliminate duplicates Z: 37 38.518 2.230 0.871 0.542 0.861 0.611 CB 1.715 37 residues pruned to eliminate duplicates Z: 11 10.636 1.909 0.115 0.824 0.900 0.700 CB 1.326 11 residues pruned to eliminate duplicates Z: 18 26.130 2.235 0.639 0.681 0.824 0.529 CB 1.778 18 residues pruned to eliminate duplicates Z: 38 51.447 2.271 0.955 0.631 0.946 0.622 CB 1.780 39 residues pruned to eliminate duplicates Z: 17 14.383 2.147 0.761 0.333 0.812 0.500 CB 1.405 17 residues pruned to eliminate duplicates Z: 16 40.350 2.347 0.617 0.923 1.000 0.933 C 1.928 16 residues pruned to eliminate duplicates Z: 13 46.108 2.413 0.925 0.935 1.000 0.833 CB 1.997 13 residues pruned to eliminate duplicates Z: 35 38.048 2.141 0.838 0.632 0.912 0.618 CB 1.606 48 residues pruned to eliminate duplicates Z: 7 8.529 1.879 0.757 0.384 1.000 0.500 C 1.193 7 residues pruned to eliminate duplicates Z: 22 20.859 1.873 0.778 0.675 1.000 0.762 CB 1.163 22 residues pruned to eliminate duplicates Z: 14 37.733 2.445 0.514 0.937 1.000 1.000 CA 1.967 14 residues pruned to eliminate duplicates Z: 10 12.159 2.067 0.162 0.770 0.889 0.667 CA 1.494 10 residues pruned to eliminate duplicates Z: 31 22.974 2.119 0.519 0.467 0.900 0.700 CB 1.497 31 residues pruned to eliminate duplicates Z: 8 5.055 1.354 0.255 0.759 0.857 0.714 C 1.042 8 residues pruned to eliminate duplicates Z: 75 59.698 2.367 0.694 0.563 0.959 0.608 CB 1.697 75 residues pruned to eliminate duplicates Z: 18 39.088 2.182 0.879 0.882 1.000 0.765 CA 1.673 18 residues pruned to eliminate duplicates Z: 72 51.553 2.299 0.632 0.544 0.930 0.732 CB 1.680 72 residues pruned to eliminate duplicates Z: 33 34.365 2.243 0.415 0.644 0.938 0.719 CB 1.783 33 residues pruned to eliminate duplicates Z: 37 42.400 2.250 0.813 0.640 0.861 0.472 CB 1.765 37 residues pruned to eliminate duplicates Z: 11 11.354 1.609 0.428 0.897 1.000 1.000 CB 1.118 Z: 13 24.203 2.253 0.894 0.609 0.917 0.500 CA 1.611 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 10.856 2.163 0.367 0.404 0.917 0.583 CB 1.280 13 residues pruned to eliminate duplicates Z: 6 5.793 1.748 0.339 0.480 1.000 0.800 C 1.130 6 residues pruned to eliminate duplicates Z: 13 9.930 2.147 0.375 0.370 0.917 0.583 CB 1.218 13 residues pruned to eliminate duplicates Z: 7 3.586 1.497 0.309 0.421 0.833 0.167 CB 0.974 7 residues pruned to eliminate duplicates Z: 13 11.689 1.917 0.659 0.409 0.917 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 14 9.928 1.880 0.496 0.418 1.000 0.615 CB 1.067 14 residues pruned to eliminate duplicates Z: 6 3.251 1.824 0.499 0.292 0.800 0.200 CB 0.839 6 residues pruned to eliminate duplicates Z: 48 45.097 2.239 0.718 0.563 0.936 0.596 CB 1.720 63 residues pruned to eliminate duplicates Z: 39 52.832 2.338 0.793 0.623 1.000 0.658 CB 1.821 40 residues pruned to eliminate duplicates Z: 7 6.578 1.187 0.953 0.758 1.000 0.500 CB 0.921 7 residues pruned to eliminate duplicates Z: 35 39.345 2.233 0.758 0.611 0.912 0.529 CB 1.696 35 residues pruned to eliminate duplicates Z: 49 43.015 2.191 0.762 0.566 0.938 0.604 CB 1.609 49 residues pruned to eliminate duplicates Z: 38 46.613 2.289 0.818 0.632 0.919 0.622 CB 1.770 38 residues pruned to eliminate duplicates Z: 38 45.953 2.252 0.847 0.619 0.946 0.486 CB 1.716 38 residues pruned to eliminate duplicates Z: 39 42.770 2.274 0.687 0.617 0.947 0.605 CB 1.709 39 residues pruned to eliminate duplicates Z: 38 48.274 2.258 0.847 0.652 0.946 0.622 CB 1.747 38 residues pruned to eliminate duplicates Z: 40 47.512 2.257 0.903 0.586 0.949 0.462 CB 1.719 40 residues pruned to eliminate duplicates Z: 38 53.175 2.261 0.976 0.639 0.973 0.568 CA 1.765 38 residues pruned to eliminate duplicates Z: 41 44.072 2.293 0.809 0.614 0.900 0.600 CB 1.676 41 residues pruned to eliminate duplicates Z: 49 45.154 2.198 0.871 0.519 0.938 0.542 CB 1.659 49 residues pruned to eliminate duplicates Z: 37 53.142 2.295 0.899 0.658 0.972 0.556 CA 1.805 36 residues pruned to eliminate duplicates Z: 17 50.663 2.329 1.055 0.907 1.000 0.562 C 1.881 17 residues pruned to eliminate duplicates Z: 36 52.689 2.360 0.820 0.666 0.943 0.514 CB 1.885 36 residues pruned to eliminate duplicates Z: 49 46.170 2.170 0.871 0.550 0.958 0.625 CB 1.632 49 residues pruned to eliminate duplicates Z: 39 47.463 2.264 0.874 0.601 0.947 0.421 CB 1.741 39 residues pruned to eliminate duplicates Z: 49 43.123 2.198 0.907 0.546 0.896 0.521 CB 1.584 49 residues pruned to eliminate duplicates Z: 38 52.272 2.291 0.899 0.644 0.946 0.514 CB 1.825 38 residues pruned to eliminate duplicates Z: 46 43.765 2.169 0.773 0.570 0.933 0.489 CB 1.699 46 residues pruned to eliminate duplicates Z: 48 48.408 2.237 0.850 0.575 0.957 0.596 CB 1.658 48 residues pruned to eliminate duplicates Z: 40 47.157 2.222 0.884 0.610 0.949 0.487 CB 1.714 40 residues pruned to eliminate duplicates Z: 40 46.942 2.269 0.892 0.613 0.923 0.564 CB 1.704 40 residues pruned to eliminate duplicates Z: 50 42.976 2.173 0.746 0.564 0.959 0.633 CB 1.585 50 residues pruned to eliminate duplicates Z: 38 48.842 2.251 0.838 0.658 0.946 0.595 CA 1.772 38 residues pruned to eliminate duplicates Z: 38 48.547 2.279 0.875 0.629 0.946 0.595 CB 1.749 38 residues pruned to eliminate duplicates Z: 49 45.206 2.218 0.836 0.562 0.958 0.625 CB 1.574 49 residues pruned to eliminate duplicates Z: 38 48.276 2.282 0.913 0.627 0.946 0.622 CB 1.705 38 residues pruned to eliminate duplicates Z: 38 50.743 2.247 0.873 0.659 0.973 0.514 CB 1.758 38 residues pruned to eliminate duplicates Z: 18 19.802 2.071 0.510 0.551 1.000 0.412 CB 1.461 18 residues pruned to eliminate duplicates Z: 42 42.754 2.251 0.786 0.605 0.902 0.585 CB 1.665 42 residues pruned to eliminate duplicates Z: 39 44.183 2.297 0.825 0.612 0.895 0.632 CB 1.720 39 residues pruned to eliminate duplicates Z: 39 49.183 2.288 0.930 0.637 0.921 0.553 CB 1.726 39 residues pruned to eliminate duplicates Z: 47 44.798 2.220 0.856 0.575 0.891 0.565 CB 1.674 47 residues pruned to eliminate duplicates Z: 116 73.224 2.309 0.670 0.625 0.904 0.687 CB 1.740 40 residues pruned to eliminate duplicates Z: 16 35.094 2.311 0.456 0.873 1.000 0.933 CB 1.961 16 residues pruned to eliminate duplicates Z: 98 56.108 2.192 0.593 0.638 0.897 0.608 CB 1.599 88 residues pruned to eliminate duplicates Z: 15 41.354 2.373 0.771 0.911 1.000 0.857 CA 1.864 15 residues pruned to eliminate duplicates Z: 16 36.131 2.288 0.752 0.797 1.000 0.867 CA 1.794 16 residues pruned to eliminate duplicates Z: 99 57.984 2.207 0.636 0.630 0.918 0.653 CB 1.563 99 residues pruned to eliminate duplicates Z: 16 33.616 2.233 0.462 0.931 1.000 0.933 CA 1.859 16 residues pruned to eliminate duplicates Z: 15 40.609 2.396 0.678 0.855 1.000 0.857 CA 1.992 15 residues pruned to eliminate duplicates Z: 15 41.964 2.434 0.723 0.848 1.000 0.929 CB 1.984 15 residues pruned to eliminate duplicates Z: 27 38.446 2.372 0.719 0.664 0.885 0.692 CB 1.795 27 residues pruned to eliminate duplicates Z: 41 40.100 2.338 0.652 0.559 0.875 0.700 CB 1.771 41 residues pruned to eliminate duplicates Z: 98 60.313 2.221 0.620 0.641 0.928 0.701 CB 1.607 98 residues pruned to eliminate duplicates Z: 16 46.527 2.211 1.129 0.913 1.000 0.867 CA 1.807 16 residues pruned to eliminate duplicates Z: 97 58.147 2.209 0.633 0.628 0.906 0.646 CB 1.609 97 residues pruned to eliminate duplicates Z: 46 46.345 2.333 0.603 0.630 0.933 0.711 CB 1.752 46 residues pruned to eliminate duplicates Z: 60 57.929 2.338 0.640 0.643 0.949 0.712 CB 1.813 60 residues pruned to eliminate duplicates Z: 97 56.528 2.227 0.560 0.643 0.906 0.688 CB 1.604 97 residues pruned to eliminate duplicates Z: 93 56.353 2.219 0.579 0.597 0.902 0.565 CB 1.694 93 residues pruned to eliminate duplicates Z: 80 55.311 2.259 0.592 0.632 0.911 0.595 CB 1.678 80 residues pruned to eliminate duplicates Z: 97 59.423 2.201 0.696 0.623 0.896 0.625 CB 1.616 97 residues pruned to eliminate duplicates Z: 26 43.693 2.349 0.924 0.731 0.880 0.680 CB 1.785 26 residues pruned to eliminate duplicates Z: 96 61.542 2.232 0.702 0.630 0.905 0.632 CB 1.624 97 residues pruned to eliminate duplicates Z: 11 10.574 2.024 0.056 0.795 0.800 0.700 CB 1.510 11 residues pruned to eliminate duplicates Z: 77 60.823 2.288 0.648 0.647 0.934 0.645 CB 1.726 77 residues pruned to eliminate duplicates Z: 83 49.840 2.171 0.567 0.619 0.939 0.646 CB 1.539 82 residues pruned to eliminate duplicates Z: 11 17.988 2.293 0.519 0.611 0.900 0.700 CB 1.632 11 residues pruned to eliminate duplicates Z: 97 58.690 2.208 0.618 0.642 0.896 0.688 CB 1.638 97 residues pruned to eliminate duplicates Z: 45 36.097 2.168 0.448 0.614 0.932 0.591 CB 1.670 45 residues pruned to eliminate duplicates Z: 86 63.123 2.261 0.677 0.632 0.941 0.635 CB 1.694 86 residues pruned to eliminate duplicates Z: 98 59.918 2.208 0.661 0.645 0.907 0.691 CB 1.596 98 residues pruned to eliminate duplicates Z: 34 36.926 2.260 0.774 0.578 0.848 0.667 CB 1.754 34 residues pruned to eliminate duplicates Z: 97 60.714 2.230 0.633 0.652 0.917 0.656 CB 1.611 97 residues pruned to eliminate duplicates Z: 85 45.067 2.136 0.561 0.594 0.881 0.643 CB 1.530 85 residues pruned to eliminate duplicates Z: 77 59.230 2.281 0.619 0.666 0.921 0.645 CB 1.713 77 residues pruned to eliminate duplicates Z: 98 63.213 2.221 0.683 0.649 0.938 0.701 CB 1.593 97 residues pruned to eliminate duplicates Z: 6 8.040 1.934 0.396 0.431 1.000 0.600 CA 1.431 Z: 17 28.301 2.149 0.509 0.792 1.000 0.812 CA 1.689 17 residues pruned to eliminate duplicates Z: 76 56.952 2.298 0.518 0.669 0.933 0.760 CB 1.728 83 residues pruned to eliminate duplicates Z: 12 21.035 2.133 0.207 0.886 1.000 0.818 CA 1.776 12 residues pruned to eliminate duplicates Z: 40 48.666 2.355 0.746 0.621 0.949 0.718 CB 1.782 40 residues pruned to eliminate duplicates Z: 12 27.889 2.251 0.449 0.919 1.000 0.909 CA 1.816 12 residues pruned to eliminate duplicates Z: 98 63.008 2.229 0.697 0.647 0.918 0.680 CB 1.608 98 residues pruned to eliminate duplicates Z: 35 33.203 2.214 0.394 0.576 0.971 0.559 CB 1.767 35 residues pruned to eliminate duplicates Z: 70 47.591 2.157 0.542 0.658 0.957 0.652 CB 1.555 70 residues pruned to eliminate duplicates Z: 64 54.213 2.292 0.580 0.652 0.952 0.714 CB 1.719 64 residues pruned to eliminate duplicates Z: 51 34.135 2.185 0.459 0.553 0.900 0.560 CB 1.597 51 residues pruned to eliminate duplicates Z: 97 63.322 2.211 0.704 0.669 0.938 0.667 CB 1.565 97 residues pruned to eliminate duplicates Z: 65 60.813 2.314 0.717 0.637 0.969 0.609 CB 1.736 65 residues pruned to eliminate duplicates Z: 98 63.828 2.208 0.715 0.663 0.918 0.711 CB 1.604 98 residues pruned to eliminate duplicates Z: 63 58.749 2.294 0.823 0.616 0.919 0.565 CB 1.739 63 residues pruned to eliminate duplicates Z: 97 64.442 2.220 0.722 0.661 0.927 0.708 CB 1.599 97 residues pruned to eliminate duplicates Z: 97 61.622 2.205 0.697 0.661 0.917 0.677 CB 1.579 97 residues pruned to eliminate duplicates Z: 50 38.385 2.245 0.516 0.561 0.939 0.612 CB 1.618 50 residues pruned to eliminate duplicates Z: 98 66.082 2.208 0.761 0.660 0.928 0.691 CB 1.603 98 residues pruned to eliminate duplicates Z: 79 57.716 2.256 0.694 0.628 0.910 0.603 CB 1.665 79 residues pruned to eliminate duplicates Z: 65 52.262 2.252 0.680 0.608 0.922 0.594 CB 1.690 65 residues pruned to eliminate duplicates Z: 49 39.905 2.292 0.508 0.597 0.917 0.729 CB 1.657 49 residues pruned to eliminate duplicates Z: 65 56.589 2.273 0.745 0.620 0.938 0.641 CB 1.699 65 residues pruned to eliminate duplicates Z: 79 50.744 2.192 0.585 0.599 0.910 0.603 CB 1.652 79 residues pruned to eliminate duplicates Z: 70 44.974 2.131 0.559 0.666 0.942 0.754 CB 1.484 70 residues pruned to eliminate duplicates Z: 65 56.527 2.277 0.726 0.643 0.906 0.688 CB 1.735 65 residues pruned to eliminate duplicates Z: 99 61.664 2.209 0.662 0.636 0.939 0.602 CB 1.591 99 residues pruned to eliminate duplicates Z: 67 53.526 2.269 0.775 0.602 0.909 0.591 CB 1.633 67 residues pruned to eliminate duplicates Z: 48 41.092 2.215 0.521 0.669 0.936 0.617 CB 1.625 48 residues pruned to eliminate duplicates Z: 68 45.420 2.167 0.617 0.658 0.910 0.701 CB 1.501 68 residues pruned to eliminate duplicates Z: 37 26.876 2.018 0.650 0.683 0.889 0.694 CB 1.279 37 residues pruned to eliminate duplicates Z: 98 62.474 2.209 0.716 0.658 0.928 0.722 CB 1.557 98 residues pruned to eliminate duplicates Z: 96 63.850 2.222 0.736 0.666 0.926 0.684 CB 1.572 96 residues pruned to eliminate duplicates Z: 13 26.866 2.113 0.662 0.889 1.000 0.917 CB 1.589 13 residues pruned to eliminate duplicates Z: 33 30.786 2.071 0.788 0.702 0.906 0.656 CB 1.349 33 residues pruned to eliminate duplicates Z: 97 66.670 2.219 0.756 0.670 0.938 0.708 CB 1.592 97 residues pruned to eliminate duplicates Z: 32 32.222 2.146 0.540 0.694 0.935 0.742 CB 1.568 32 residues pruned to eliminate duplicates Z: 99 62.137 2.170 0.786 0.646 0.898 0.633 CB 1.574 99 residues pruned to eliminate duplicates Z: 77 63.101 2.274 0.781 0.661 0.921 0.724 CB 1.671 77 residues pruned to eliminate duplicates Z: 68 48.847 2.150 0.708 0.666 0.940 0.627 CB 1.483 68 residues pruned to eliminate duplicates Z: 35 29.607 2.052 0.727 0.698 0.912 0.735 CB 1.311 35 residues pruned to eliminate duplicates Z: 33 32.489 2.081 0.792 0.717 0.938 0.688 CB 1.351 33 residues pruned to eliminate duplicates Z: 97 66.463 2.205 0.771 0.670 0.938 0.729 CB 1.584 97 residues pruned to eliminate duplicates Z: 44 30.817 2.028 0.717 0.650 0.884 0.651 CB 1.328 44 residues pruned to eliminate duplicates Z: 35 28.032 2.030 0.723 0.691 0.912 0.647 CB 1.266 35 residues pruned to eliminate duplicates Z: 134 76.875 2.250 0.767 0.629 0.917 0.654 CB 1.619 134 residues pruned to eliminate duplicates Z: 85 57.620 2.255 0.778 0.622 0.869 0.643 CB 1.608 85 residues pruned to eliminate duplicates Z: 85 63.084 2.262 0.750 0.635 0.940 0.667 CB 1.628 85 residues pruned to eliminate duplicates Z: 84 62.618 2.284 0.685 0.649 0.940 0.675 CB 1.655 84 residues pruned to eliminate duplicates Z: 56 42.349 2.207 0.596 0.596 0.945 0.582 CB 1.564 56 residues pruned to eliminate duplicates Z: 102 61.318 2.247 0.579 0.629 0.931 0.644 CB 1.637 102 residues pruned to eliminate duplicates Z: 142 74.020 2.237 0.663 0.619 0.929 0.652 CB 1.612 106 residues pruned to eliminate duplicates Z: 15 26.940 2.105 0.613 0.764 1.000 0.714 CB 1.678 15 residues pruned to eliminate duplicates Z: 29 28.959 2.287 0.456 0.571 1.000 0.679 CB 1.534 29 residues pruned to eliminate duplicates Z: 45 42.142 2.291 0.547 0.625 1.000 0.750 CB 1.594 45 residues pruned to eliminate duplicates Z: 46 40.067 2.268 0.574 0.590 0.956 0.667 CB 1.607 46 residues pruned to eliminate duplicates Z: 84 59.249 2.260 0.625 0.598 0.952 0.675 CB 1.695 84 residues pruned to eliminate duplicates Z: 14 30.787 2.251 0.860 0.656 1.000 0.692 CB 1.764 14 residues pruned to eliminate duplicates Z: 57 46.682 2.240 0.596 0.618 0.964 0.679 CB 1.618 57 residues pruned to eliminate duplicates Z: 56 49.571 2.260 0.688 0.600 0.982 0.709 CB 1.623 57 residues pruned to eliminate duplicates Z: 13 31.250 2.164 1.102 0.857 0.917 0.833 CB 1.593 13 residues pruned to eliminate duplicates Z: 29 27.857 2.180 0.707 0.552 0.929 0.643 CB 1.448 29 residues pruned to eliminate duplicates Z: 73 48.273 2.212 0.540 0.614 0.958 0.736 CB 1.565 54 residues pruned to eliminate duplicates Z: 14 35.150 2.030 1.085 0.891 1.000 0.615 C 1.656 14 residues pruned to eliminate duplicates Z: 46 50.721 2.283 0.786 0.616 1.000 0.689 CB 1.662 46 residues pruned to eliminate duplicates Z: 45 46.902 2.276 0.686 0.625 0.977 0.773 CB 1.676 45 residues pruned to eliminate duplicates Z: 46 46.800 2.295 0.667 0.640 0.956 0.778 CB 1.674 46 residues pruned to eliminate duplicates Z: 56 45.725 2.276 0.501 0.612 0.982 0.764 CB 1.653 56 residues pruned to eliminate duplicates Z: 33 32.314 2.243 0.521 0.575 0.969 0.750 CB 1.608 33 residues pruned to eliminate duplicates Z: 58 47.529 2.207 0.687 0.595 0.982 0.667 CB 1.572 58 residues pruned to eliminate duplicates Z: 56 45.509 2.257 0.552 0.614 0.964 0.764 CB 1.631 56 residues pruned to eliminate duplicates Z: 47 44.227 2.264 0.632 0.608 0.957 0.761 CB 1.665 47 residues pruned to eliminate duplicates Z: 75 44.613 2.214 0.480 0.586 0.946 0.730 CB 1.541 75 residues pruned to eliminate duplicates Z: 38 36.202 2.212 0.668 0.572 0.946 0.622 CB 1.590 38 residues pruned to eliminate duplicates Z: 56 49.120 2.261 0.636 0.614 1.000 0.745 CB 1.607 56 residues pruned to eliminate duplicates Z: 55 42.426 2.200 0.625 0.577 0.963 0.648 CB 1.558 55 residues pruned to eliminate duplicates Z: 56 47.449 2.279 0.664 0.613 0.927 0.673 CB 1.634 56 residues pruned to eliminate duplicates Z: 29 31.418 2.254 0.599 0.557 1.000 0.607 CB 1.559 29 residues pruned to eliminate duplicates Z: 75 46.685 2.215 0.495 0.584 0.973 0.716 CB 1.554 75 residues pruned to eliminate duplicates Z: 56 43.753 2.235 0.664 0.593 0.927 0.673 CB 1.566 56 residues pruned to eliminate duplicates Z: 47 45.476 2.283 0.718 0.587 0.957 0.696 CB 1.644 47 residues pruned to eliminate duplicates Z: 57 48.307 2.234 0.741 0.610 0.946 0.661 CB 1.579 57 residues pruned to eliminate duplicates Z: 45 48.615 2.267 0.757 0.618 1.000 0.682 CB 1.645 45 residues pruned to eliminate duplicates Z: 57 44.933 2.216 0.665 0.597 0.946 0.625 CB 1.567 57 residues pruned to eliminate duplicates Z: 56 47.714 2.272 0.669 0.610 0.945 0.618 CB 1.617 56 residues pruned to eliminate duplicates Z: 74 48.614 2.244 0.530 0.606 0.945 0.740 CB 1.585 74 residues pruned to eliminate duplicates Z: 75 46.041 2.209 0.505 0.589 0.973 0.730 CB 1.519 75 residues pruned to eliminate duplicates Z: 57 50.213 2.267 0.722 0.609 0.964 0.679 CB 1.608 57 residues pruned to eliminate duplicates Z: 56 48.407 2.263 0.673 0.601 0.964 0.673 CB 1.625 56 residues pruned to eliminate duplicates Z: 58 46.302 2.234 0.645 0.583 0.965 0.632 CB 1.597 58 residues pruned to eliminate duplicates Z: 50 35.380 2.173 0.536 0.577 0.939 0.776 CB 1.497 50 residues pruned to eliminate duplicates Z: 43 38.668 2.251 0.551 0.572 0.976 0.619 CB 1.633 43 residues pruned to eliminate duplicates Z: 57 48.021 2.257 0.690 0.590 0.946 0.679 CB 1.632 57 residues pruned to eliminate duplicates Z: 17 20.862 2.145 0.594 0.564 0.938 0.562 CB 1.529 17 residues pruned to eliminate duplicates Z: 19 15.598 2.117 0.383 0.530 0.889 0.611 CB 1.371 19 residues pruned to eliminate duplicates Z: 35 23.529 2.133 0.310 0.556 0.912 0.765 CB 1.500 35 residues pruned to eliminate duplicates Z: 74 44.271 2.208 0.544 0.581 0.918 0.671 CB 1.532 74 residues pruned to eliminate duplicates Z: 58 41.990 2.239 0.595 0.584 0.912 0.649 CB 1.574 58 residues pruned to eliminate duplicates Z: 58 48.523 2.249 0.750 0.580 0.930 0.614 CB 1.625 58 residues pruned to eliminate duplicates Z: 13 16.369 1.965 0.715 0.641 0.917 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 19 18.620 2.145 0.567 0.519 0.833 0.667 CB 1.538 19 residues pruned to eliminate duplicates Z: 56 43.519 2.260 0.605 0.580 0.927 0.655 CB 1.615 56 residues pruned to eliminate duplicates Z: 19 23.714 2.086 0.654 0.583 0.944 0.667 CB 1.584 19 residues pruned to eliminate duplicates Z: 68 46.518 2.172 0.719 0.562 0.940 0.567 CB 1.524 68 residues pruned to eliminate duplicates Z: 58 44.347 2.221 0.676 0.587 0.930 0.667 CB 1.561 58 residues pruned to eliminate duplicates Z: 18 17.060 2.077 0.639 0.518 0.824 0.471 CB 1.450 18 residues pruned to eliminate duplicates Z: 73 44.842 2.197 0.560 0.576 0.958 0.639 CB 1.497 73 residues pruned to eliminate duplicates Z: 75 43.145 2.210 0.548 0.575 0.919 0.649 CB 1.485 75 residues pruned to eliminate duplicates Z: 18 14.745 2.133 0.107 0.585 0.941 0.824 CB 1.484 18 residues pruned to eliminate duplicates Z: 35 22.124 2.112 0.278 0.558 0.912 0.794 CB 1.456 35 residues pruned to eliminate duplicates Z: 74 45.729 2.204 0.582 0.581 0.945 0.699 CB 1.502 74 residues pruned to eliminate duplicates Z: 73 50.240 2.244 0.577 0.594 0.958 0.681 CB 1.597 73 residues pruned to eliminate duplicates Z: 37 24.147 2.061 0.352 0.547 0.917 0.722 CB 1.505 37 residues pruned to eliminate duplicates Z: 12 14.617 2.013 0.209 0.817 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 12 20.681 2.083 0.385 0.825 1.000 0.818 CB 1.631 12 residues pruned to eliminate duplicates Z: 11 23.876 2.060 0.551 0.936 1.000 0.900 CB 1.646 11 residues pruned to eliminate duplicates Z: 11 16.282 2.110 0.235 0.901 1.000 0.900 CB 1.410 11 residues pruned to eliminate duplicates Z: 18 19.252 2.110 0.497 0.577 0.941 0.647 CB 1.458 19 residues pruned to eliminate duplicates Z: 10 27.326 2.244 0.656 0.907 1.000 0.556 CB 1.742 10 residues pruned to eliminate duplicates Z: 36 24.335 2.109 0.500 0.546 0.914 0.686 CB 1.360 36 residues pruned to eliminate duplicates Z: 75 47.519 2.211 0.633 0.574 0.973 0.676 CB 1.465 75 residues pruned to eliminate duplicates Z: 72 47.468 2.218 0.610 0.598 0.944 0.676 CB 1.523 72 residues pruned to eliminate duplicates Z: 74 46.651 2.209 0.649 0.583 0.932 0.616 CB 1.487 74 residues pruned to eliminate duplicates Z: 73 51.473 2.213 0.686 0.562 0.958 0.625 CB 1.598 73 residues pruned to eliminate duplicates Z: 75 58.426 2.315 0.490 0.656 0.946 0.703 CB 1.801 75 residues pruned to eliminate duplicates Z: 67 62.305 2.369 0.715 0.617 0.924 0.561 CB 1.829 67 residues pruned to eliminate duplicates Z: 53 48.167 2.334 0.524 0.585 0.962 0.596 CB 1.800 53 residues pruned to eliminate duplicates Z: 44 44.061 2.370 0.469 0.655 0.907 0.698 CB 1.841 44 residues pruned to eliminate duplicates Z: 52 45.560 2.378 0.495 0.585 0.922 0.569 CB 1.796 52 residues pruned to eliminate duplicates Z: 112 70.826 2.286 0.642 0.617 0.919 0.694 CB 1.745 112 residues pruned to eliminate duplicates Z: 86 65.325 2.343 0.565 0.643 0.929 0.612 CB 1.817 86 residues pruned to eliminate duplicates Z: 75 63.550 2.355 0.585 0.662 0.946 0.649 CB 1.800 75 residues pruned to eliminate duplicates Z: 56 46.623 2.282 0.553 0.613 0.891 0.509 CB 1.790 56 residues pruned to eliminate duplicates Z: 78 62.517 2.321 0.560 0.649 0.935 0.714 CB 1.831 78 residues pruned to eliminate duplicates Z: 49 31.087 2.169 0.436 0.545 0.833 0.646 CB 1.655 49 residues pruned to eliminate duplicates Z: 116 70.278 2.327 0.573 0.616 0.904 0.696 CB 1.773 116 residues pruned to eliminate duplicates Z: 101 73.244 2.325 0.612 0.656 0.910 0.730 CB 1.857 101 residues pruned to eliminate duplicates Z: 86 61.925 2.328 0.448 0.646 0.941 0.682 CB 1.848 86 residues pruned to eliminate duplicates Z: 87 61.957 2.331 0.528 0.604 0.965 0.628 CB 1.760 87 residues pruned to eliminate duplicates Z: 97 66.055 2.304 0.604 0.596 0.927 0.698 CB 1.796 97 residues pruned to eliminate duplicates Z: 75 54.464 2.339 0.467 0.609 0.932 0.676 CB 1.784 75 residues pruned to eliminate duplicates Z: 87 71.387 2.366 0.681 0.660 0.919 0.674 CB 1.816 87 residues pruned to eliminate duplicates Z: 149 90.819 2.368 0.713 0.614 0.912 0.635 CB 1.810 123 residues pruned to eliminate duplicates Z: 13 42.864 2.273 1.133 0.905 1.000 0.750 CA 1.817 13 residues pruned to eliminate duplicates Z: 103 63.394 2.313 0.592 0.589 0.892 0.657 CB 1.754 103 residues pruned to eliminate duplicates Z: 39 38.495 2.252 0.612 0.658 0.868 0.711 CB 1.711 39 residues pruned to eliminate duplicates Z: 83 61.034 2.358 0.507 0.644 0.915 0.683 CB 1.813 83 residues pruned to eliminate duplicates Z: 73 62.238 2.340 0.597 0.677 0.944 0.639 CB 1.765 73 residues pruned to eliminate duplicates Z: 84 62.856 2.304 0.579 0.643 0.916 0.651 CB 1.812 84 residues pruned to eliminate duplicates Z: 66 57.343 2.374 0.631 0.623 0.908 0.646 CB 1.803 66 residues pruned to eliminate duplicates Z: 103 67.575 2.309 0.619 0.596 0.941 0.608 CB 1.735 103 residues pruned to eliminate duplicates Z: 59 52.578 2.287 0.638 0.619 0.948 0.672 CB 1.737 59 residues pruned to eliminate duplicates Z: 85 62.424 2.326 0.568 0.646 0.905 0.655 CB 1.802 85 residues pruned to eliminate duplicates Z: 102 68.140 2.276 0.672 0.608 0.960 0.634 CB 1.674 102 residues pruned to eliminate duplicates Z: 43 32.061 2.115 0.725 0.492 0.905 0.643 CB 1.510 43 residues pruned to eliminate duplicates Z: 55 35.818 2.081 0.762 0.503 0.870 0.556 CB 1.523 55 residues pruned to eliminate duplicates Z: 85 67.625 2.345 0.615 0.642 0.929 0.702 CB 1.838 85 residues pruned to eliminate duplicates Z: 86 66.163 2.317 0.633 0.642 0.941 0.647 CB 1.764 86 residues pruned to eliminate duplicates Z: 111 74.565 2.304 0.718 0.598 0.945 0.645 CB 1.731 111 residues pruned to eliminate duplicates Z: 55 45.561 2.296 0.682 0.548 0.907 0.667 CB 1.688 55 residues pruned to eliminate duplicates Z: 102 74.604 2.296 0.630 0.671 0.960 0.673 CB 1.763 102 residues pruned to eliminate duplicates Z: 66 53.412 2.340 0.637 0.601 0.923 0.692 CB 1.702 66 residues pruned to eliminate duplicates Z: 36 46.676 2.232 0.755 0.723 0.943 0.829 CB 1.747 36 residues pruned to eliminate duplicates Z: 85 67.655 2.361 0.606 0.660 0.929 0.690 CB 1.807 85 residues pruned to eliminate duplicates Z: 39 48.103 2.320 0.737 0.730 0.947 0.737 CB 1.661 39 residues pruned to eliminate duplicates Z: 85 60.667 2.316 0.589 0.637 0.905 0.655 CB 1.749 85 residues pruned to eliminate duplicates Z: 35 45.194 2.308 0.725 0.721 0.912 0.824 CB 1.748 35 residues pruned to eliminate duplicates Z: 98 67.335 2.325 0.634 0.602 0.938 0.670 CB 1.741 98 residues pruned to eliminate duplicates Z: 86 62.044 2.311 0.596 0.643 0.906 0.647 CB 1.762 86 residues pruned to eliminate duplicates Z: 87 65.925 2.316 0.589 0.649 0.942 0.709 CB 1.784 87 residues pruned to eliminate duplicates Z: 52 37.655 2.196 0.551 0.559 0.922 0.608 CB 1.587 52 residues pruned to eliminate duplicates Z: 14 12.422 2.201 0.577 0.242 0.846 0.462 CB 1.582 14 residues pruned to eliminate duplicates Z: 21 10.338 1.943 0.716 0.306 0.650 0.450 CB 1.324 21 residues pruned to eliminate duplicates Z: 18 15.576 2.178 0.711 0.331 0.882 0.529 CB 1.382 18 residues pruned to eliminate duplicates Z: 97 65.338 2.352 0.549 0.601 0.927 0.635 CB 1.793 97 residues pruned to eliminate duplicates Z: 21 12.338 2.087 0.603 0.280 0.800 0.450 CB 1.322 21 residues pruned to eliminate duplicates Z: 102 61.069 2.319 0.552 0.587 0.911 0.683 CB 1.706 102 residues pruned to eliminate duplicates Z: 11 11.877 2.132 0.556 0.313 0.900 0.400 CA 1.547 11 residues pruned to eliminate duplicates Z: 117 72.338 2.313 0.643 0.600 0.914 0.681 CB 1.759 117 residues pruned to eliminate duplicates Z: 14 13.173 2.228 0.369 0.356 1.000 0.615 CB 1.399 14 residues pruned to eliminate duplicates Z: 14 14.104 2.225 0.517 0.320 1.000 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 15 9.857 2.092 0.490 0.228 0.857 0.429 CB 1.353 15 residues pruned to eliminate duplicates Z: 113 67.120 2.308 0.569 0.583 0.938 0.643 CB 1.725 113 residues pruned to eliminate duplicates Z: 16 6.971 1.911 0.340 0.289 0.800 0.333 CB 1.114 16 residues pruned to eliminate duplicates Z: 18 13.436 2.055 0.525 0.352 0.882 0.353 CB 1.383 18 residues pruned to eliminate duplicates Z: 11 8.003 2.029 0.501 0.308 0.800 0.300 CB 1.286 11 residues pruned to eliminate duplicates Z: 51 43.552 2.350 0.626 0.534 0.920 0.560 CB 1.694 51 residues pruned to eliminate duplicates Z: 63 54.977 2.354 0.810 0.568 0.919 0.629 CB 1.670 63 residues pruned to eliminate duplicates Z: 130 72.012 2.313 0.706 0.545 0.899 0.605 CB 1.711 130 residues pruned to eliminate duplicates Z: 48 45.606 2.363 0.615 0.558 0.957 0.638 CB 1.721 48 residues pruned to eliminate duplicates Z: 43 46.610 2.308 0.759 0.597 0.929 0.714 CB 1.739 43 residues pruned to eliminate duplicates Z: 46 49.961 2.405 0.671 0.565 0.978 0.667 CB 1.780 46 residues pruned to eliminate duplicates Z: 17 21.281 2.227 0.447 0.603 0.938 0.688 CB 1.597 17 residues pruned to eliminate duplicates Z: 67 46.737 2.269 0.545 0.592 0.924 0.697 CB 1.626 67 residues pruned to eliminate duplicates Z: 50 45.453 2.355 0.646 0.540 0.918 0.571 CB 1.753 50 residues pruned to eliminate duplicates Z: 17 16.177 2.098 0.351 0.597 0.812 0.625 CB 1.602 17 residues pruned to eliminate duplicates Z: 114 65.566 2.307 0.560 0.575 0.938 0.664 CB 1.700 114 residues pruned to eliminate duplicates Z: 42 51.766 2.375 0.707 0.624 1.000 0.732 CB 1.773 42 residues pruned to eliminate duplicates Z: 47 43.874 2.377 0.576 0.544 0.957 0.674 CB 1.729 47 residues pruned to eliminate duplicates Z: 49 44.770 2.348 0.695 0.552 0.938 0.667 CB 1.647 49 residues pruned to eliminate duplicates Z: 47 48.797 2.429 0.683 0.584 0.935 0.804 CB 1.737 47 residues pruned to eliminate duplicates Z: 45 52.570 2.453 0.664 0.617 0.977 0.795 CB 1.780 45 residues pruned to eliminate duplicates Z: 16 19.085 2.160 0.415 0.643 0.933 0.733 CB 1.511 16 residues pruned to eliminate duplicates Z: 54 38.145 2.249 0.650 0.480 0.887 0.642 CB 1.625 54 residues pruned to eliminate duplicates Z: 26 48.656 2.532 0.829 0.600 1.000 0.640 CB 1.911 26 residues pruned to eliminate duplicates Z: 94 54.580 2.305 0.622 0.512 0.914 0.688 CB 1.636 94 residues pruned to eliminate duplicates Z: 144 78.449 2.333 0.572 0.583 0.951 0.643 CB 1.737 144 residues pruned to eliminate duplicates Z: 12 11.582 2.068 0.708 0.397 0.909 0.455 CB 1.212 12 residues pruned to eliminate duplicates Z: 61 49.700 2.338 0.627 0.522 0.950 0.683 CB 1.737 61 residues pruned to eliminate duplicates Z: 47 45.573 2.412 0.565 0.576 0.957 0.652 CB 1.730 47 residues pruned to eliminate duplicates Z: 73 59.808 2.372 0.668 0.587 0.944 0.667 CB 1.735 73 residues pruned to eliminate duplicates Z: 47 50.074 2.408 0.709 0.574 0.957 0.674 CB 1.746 47 residues pruned to eliminate duplicates Z: 58 52.143 2.378 0.658 0.562 0.965 0.684 CB 1.710 58 residues pruned to eliminate duplicates Z: 45 49.023 2.413 0.632 0.567 0.955 0.705 CB 1.842 45 residues pruned to eliminate duplicates Z: 45 50.239 2.450 0.630 0.617 0.955 0.682 CB 1.779 45 residues pruned to eliminate duplicates Z: 47 44.165 2.409 0.633 0.567 0.913 0.609 CB 1.699 47 residues pruned to eliminate duplicates Z: 114 66.079 2.340 0.587 0.552 0.947 0.664 CB 1.681 114 residues pruned to eliminate duplicates Z: 51 46.399 2.402 0.684 0.522 0.940 0.640 CB 1.688 51 residues pruned to eliminate duplicates Z: 40 52.482 2.413 0.816 0.630 0.949 0.744 CB 1.788 40 residues pruned to eliminate duplicates Z: 46 49.177 2.356 0.711 0.550 0.978 0.667 CB 1.772 46 residues pruned to eliminate duplicates Z: 54 41.971 2.298 0.711 0.513 0.868 0.585 CB 1.668 54 residues pruned to eliminate duplicates Z: 42 46.053 2.378 0.685 0.619 0.927 0.634 CB 1.731 42 residues pruned to eliminate duplicates Z: 80 52.326 2.297 0.619 0.542 0.899 0.582 CB 1.691 80 residues pruned to eliminate duplicates Z: 47 45.596 2.311 0.739 0.545 0.935 0.609 CB 1.712 47 residues pruned to eliminate duplicates Z: 61 54.506 2.337 0.707 0.577 0.933 0.700 CB 1.755 61 residues pruned to eliminate duplicates Z: 48 49.307 2.405 0.758 0.553 0.936 0.596 CB 1.726 48 residues pruned to eliminate duplicates Z: 47 49.107 2.364 0.841 0.559 0.935 0.717 CB 1.681 47 residues pruned to eliminate duplicates Z: 45 46.111 2.381 0.682 0.557 0.955 0.636 CB 1.721 45 residues pruned to eliminate duplicates Z: 49 43.769 2.390 0.662 0.577 0.917 0.625 CB 1.611 49 residues pruned to eliminate duplicates Z: 74 59.616 2.390 0.624 0.586 0.959 0.699 CB 1.727 74 residues pruned to eliminate duplicates Z: 72 59.742 2.396 0.690 0.594 0.915 0.704 CB 1.747 72 residues pruned to eliminate duplicates Z: 59 49.039 2.392 0.655 0.567 0.897 0.569 CB 1.701 59 residues pruned to eliminate duplicates Z: 75 52.226 2.347 0.539 0.564 0.932 0.676 CB 1.694 75 residues pruned to eliminate duplicates Z: 38 30.912 2.282 0.458 0.499 0.919 0.676 CB 1.664 38 residues pruned to eliminate duplicates Z: 76 54.450 2.360 0.625 0.562 0.920 0.653 CB 1.678 76 residues pruned to eliminate duplicates Z: 12 25.346 2.431 0.828 0.610 0.909 0.636 CB 1.705 12 residues pruned to eliminate duplicates Z: 28 36.898 2.335 0.597 0.607 0.963 0.778 CB 1.787 28 residues pruned to eliminate duplicates Z: 47 41.230 2.362 0.671 0.512 0.891 0.500 CB 1.706 47 residues pruned to eliminate duplicates Z: 142 66.843 2.257 0.571 0.555 0.908 0.638 CB 1.658 142 residues pruned to eliminate duplicates Z: 74 60.386 2.383 0.683 0.578 0.918 0.658 CB 1.781 74 residues pruned to eliminate duplicates Z: 19 26.645 2.393 0.745 0.534 0.833 0.611 CB 1.745 19 residues pruned to eliminate duplicates Z: 20 23.147 2.350 0.650 0.538 0.842 0.684 CB 1.567 20 residues pruned to eliminate duplicates Z: 35 38.684 2.311 0.685 0.518 0.912 0.618 CB 1.834 35 residues pruned to eliminate duplicates Z: 28 33.286 2.329 0.578 0.570 0.926 0.741 CB 1.760 28 residues pruned to eliminate duplicates Z: 29 33.799 2.296 0.571 0.582 0.929 0.714 CB 1.764 29 residues pruned to eliminate duplicates Z: 36 35.209 2.306 0.653 0.553 0.914 0.657 CB 1.621 36 residues pruned to eliminate duplicates Z: 28 36.164 2.348 0.604 0.568 0.963 0.741 CB 1.796 28 residues pruned to eliminate duplicates Z: 27 30.276 2.273 0.591 0.524 0.923 0.769 CB 1.737 27 residues pruned to eliminate duplicates Z: 20 21.943 2.049 0.522 0.499 0.947 0.684 CB 1.706 20 residues pruned to eliminate duplicates Z: 36 32.275 2.239 0.578 0.490 0.914 0.686 CB 1.707 36 residues pruned to eliminate duplicates Z: 18 25.295 2.227 0.431 0.579 1.000 0.765 CB 1.784 18 residues pruned to eliminate duplicates Z: 34 29.126 2.193 0.520 0.533 0.939 0.667 CB 1.567 34 residues pruned to eliminate duplicates Z: 34 39.969 2.387 0.627 0.565 0.939 0.697 CB 1.791 34 residues pruned to eliminate duplicates Z: 36 41.414 2.391 0.661 0.574 0.914 0.800 CB 1.796 36 residues pruned to eliminate duplicates Z: 35 40.492 2.365 0.680 0.580 0.941 0.676 CB 1.719 35 residues pruned to eliminate duplicates Z: 39 33.778 2.274 0.595 0.517 0.868 0.605 CB 1.710 39 residues pruned to eliminate duplicates Z: 34 42.609 2.389 0.753 0.554 0.939 0.697 CB 1.789 34 residues pruned to eliminate duplicates Z: 47 41.574 2.256 0.752 0.493 0.935 0.543 CB 1.671 47 residues pruned to eliminate duplicates Z: 35 41.319 2.344 0.711 0.576 0.941 0.647 CB 1.745 35 residues pruned to eliminate duplicates Z: 83 58.154 2.372 0.707 0.542 0.866 0.598 CB 1.758 83 residues pruned to eliminate duplicates Z: 80 61.667 2.327 0.805 0.514 0.924 0.570 CB 1.763 80 residues pruned to eliminate duplicates Z: 44 41.158 2.350 0.688 0.513 0.907 0.651 CB 1.723 44 residues pruned to eliminate duplicates Z: 81 64.779 2.390 0.731 0.542 0.925 0.663 CB 1.816 81 residues pruned to eliminate duplicates Z: 6 5.686 1.715 0.292 0.384 1.000 0.800 C 1.297 6 residues pruned to eliminate duplicates Z: 9 15.408 2.311 0.759 0.396 0.875 0.875 CA 1.711 9 residues pruned to eliminate duplicates Z: 46 29.291 2.211 0.568 0.394 0.911 0.600 CB 1.547 46 residues pruned to eliminate duplicates Z: 82 59.508 2.341 0.680 0.525 0.914 0.642 CB 1.795 82 residues pruned to eliminate duplicates Z: 6 7.340 1.712 0.607 0.446 1.000 0.800 C 1.262 6 residues pruned to eliminate duplicates Z: 51 48.364 2.376 0.765 0.538 0.860 0.600 CB 1.828 51 residues pruned to eliminate duplicates Z: 76 55.255 2.362 0.753 0.533 0.867 0.613 CB 1.721 76 residues pruned to eliminate duplicates Z: 38 41.081 2.346 0.686 0.605 0.865 0.622 CB 1.787 38 residues pruned to eliminate duplicates Z: 44 44.194 2.358 0.763 0.575 0.837 0.628 CB 1.801 44 residues pruned to eliminate duplicates Z: 43 49.797 2.402 0.814 0.563 0.881 0.548 CB 1.884 43 residues pruned to eliminate duplicates Z: 80 61.710 2.376 0.759 0.528 0.899 0.620 CB 1.798 81 residues pruned to eliminate duplicates Z: 22 46.803 2.408 0.750 0.796 1.000 0.714 C 1.869 22 residues pruned to eliminate duplicates Z: 45 46.311 2.404 0.798 0.547 0.841 0.545 CB 1.834 45 residues pruned to eliminate duplicates Z: 39 55.759 2.420 0.858 0.620 0.947 0.605 CB 1.896 39 residues pruned to eliminate duplicates Z: 42 51.097 2.383 0.864 0.559 0.878 0.610 CA 1.932 42 residues pruned to eliminate duplicates Z: 39 50.745 2.441 0.875 0.593 0.895 0.632 CB 1.839 39 residues pruned to eliminate duplicates Z: 39 51.442 2.381 0.869 0.601 0.921 0.605 CB 1.848 39 residues pruned to eliminate duplicates Z: 76 64.151 2.371 0.878 0.541 0.893 0.640 CB 1.789 76 residues pruned to eliminate duplicates Z: 40 44.559 2.339 0.723 0.593 0.897 0.641 CB 1.804 40 residues pruned to eliminate duplicates Z: 40 48.097 2.415 0.877 0.574 0.846 0.564 CB 1.869 40 residues pruned to eliminate duplicates Z: 40 52.841 2.333 0.939 0.617 0.923 0.590 CB 1.814 40 residues pruned to eliminate duplicates Z: 39 53.596 2.417 0.907 0.590 0.921 0.579 CB 1.879 39 residues pruned to eliminate duplicates Z: 18 46.040 2.307 0.852 0.924 1.000 0.941 C 1.835 18 residues pruned to eliminate duplicates Z: 41 55.654 2.422 0.865 0.579 0.950 0.575 CB 1.902 39 residues pruned to eliminate duplicates Z: 18 41.731 2.276 0.764 0.906 1.000 0.882 CB 1.792 18 residues pruned to eliminate duplicates Z: 39 52.671 2.429 0.949 0.614 0.895 0.605 CB 1.812 39 residues pruned to eliminate duplicates Z: 37 49.451 2.352 0.967 0.622 0.889 0.639 CB 1.786 37 residues pruned to eliminate duplicates Z: 46 39.728 2.235 0.797 0.533 0.844 0.556 CB 1.690 46 residues pruned to eliminate duplicates Z: 65 60.530 2.338 0.912 0.521 0.922 0.547 CB 1.798 41 residues pruned to eliminate duplicates Z: 19 47.447 2.370 1.166 0.764 0.944 0.778 CB 1.826 19 residues pruned to eliminate duplicates Z: 48 56.560 2.342 0.968 0.568 0.915 0.617 CB 1.832 48 residues pruned to eliminate duplicates Z: 38 56.128 2.472 0.851 0.618 0.946 0.595 CB 1.907 38 residues pruned to eliminate duplicates Z: 45 54.862 2.358 0.883 0.594 0.909 0.659 C 1.874 45 residues pruned to eliminate duplicates Z: 125 79.681 2.366 0.839 0.540 0.919 0.629 CB 1.719 65 residues pruned to eliminate duplicates Z: 14 18.835 2.214 0.353 0.633 0.923 0.462 CA 1.669 14 residues pruned to eliminate duplicates Z: 41 44.204 2.323 0.972 0.557 0.850 0.550 CB 1.698 41 residues pruned to eliminate duplicates Z: 38 49.908 2.403 0.876 0.605 0.892 0.568 CB 1.847 38 residues pruned to eliminate duplicates Z: 81 64.783 2.369 0.819 0.525 0.913 0.562 CB 1.797 81 residues pruned to eliminate duplicates Z: 40 55.502 2.383 1.029 0.590 0.923 0.538 C 1.827 40 residues pruned to eliminate duplicates Z: 118 84.854 2.392 0.844 0.560 0.940 0.581 CB 1.785 125 residues pruned to eliminate duplicates Z: 10 22.133 2.111 0.652 0.852 1.000 0.889 CA 1.566 10 residues pruned to eliminate duplicates Z: 43 53.984 2.386 0.957 0.547 0.905 0.548 CB 1.883 43 residues pruned to eliminate duplicates Z: 47 49.965 2.379 0.776 0.559 0.913 0.652 CB 1.803 47 residues pruned to eliminate duplicates Z: 19 19.450 2.200 0.506 0.406 0.889 0.333 CB 1.719 19 residues pruned to eliminate duplicates Z: 101 69.124 2.351 0.739 0.569 0.890 0.610 CB 1.776 101 residues pruned to eliminate duplicates Z: 16 28.897 2.301 0.448 0.775 0.933 0.867 CB 1.881 16 residues pruned to eliminate duplicates Z: 18 31.607 2.198 0.732 0.721 0.941 0.647 C 1.752 18 residues pruned to eliminate duplicates Z: 69 61.395 2.353 0.727 0.620 0.897 0.632 CB 1.824 69 residues pruned to eliminate duplicates Z: 14 37.890 2.412 0.576 0.895 1.000 0.923 CB 1.982 14 residues pruned to eliminate duplicates Z: 61 54.435 2.364 0.495 0.627 0.950 0.633 CB 1.858 61 residues pruned to eliminate duplicates Z: 25 40.600 2.382 0.574 0.778 0.917 0.750 CB 1.887 25 residues pruned to eliminate duplicates Z: 64 53.352 2.387 0.439 0.611 0.937 0.667 CB 1.881 64 residues pruned to eliminate duplicates Z: 98 69.120 2.353 0.516 0.647 0.938 0.649 CB 1.828 98 residues pruned to eliminate duplicates Z: 16 34.140 2.276 0.810 0.783 0.933 0.867 C 1.787 16 residues pruned to eliminate duplicates Z: 16 38.760 2.258 0.868 0.808 1.000 0.800 CB 1.813 16 residues pruned to eliminate duplicates Z: 103 77.847 2.421 0.679 0.597 0.912 0.598 CB 1.895 103 residues pruned to eliminate duplicates Z: 99 69.464 2.351 0.538 0.657 0.929 0.653 CB 1.806 99 residues pruned to eliminate duplicates Z: 107 69.412 2.344 0.539 0.618 0.925 0.660 CB 1.808 107 residues pruned to eliminate duplicates Z: 17 29.948 2.055 1.102 0.745 0.938 0.562 C 1.485 17 residues pruned to eliminate duplicates Z: 99 75.337 2.358 0.634 0.645 0.939 0.653 CB 1.838 99 residues pruned to eliminate duplicates Z: 81 68.750 2.381 0.617 0.634 0.938 0.637 CB 1.878 81 residues pruned to eliminate duplicates Z: 29 39.833 2.092 0.933 0.676 0.964 0.607 CB 1.642 29 residues pruned to eliminate duplicates Z: 15 15.723 1.983 0.393 0.633 0.857 0.714 C 1.567 15 residues pruned to eliminate duplicates Z: 68 45.720 2.272 0.407 0.591 0.881 0.552 CB 1.820 68 residues pruned to eliminate duplicates Z: 54 41.115 2.353 0.483 0.521 0.887 0.491 CB 1.788 54 residues pruned to eliminate duplicates Z: 12 18.848 2.152 0.534 0.628 0.909 0.636 CB 1.679 12 residues pruned to eliminate duplicates Z: 87 64.286 2.324 0.589 0.633 0.919 0.593 CB 1.803 87 residues pruned to eliminate duplicates Z: 12 15.448 2.046 0.498 0.612 0.909 0.636 CA 1.504 12 residues pruned to eliminate duplicates Z: 87 68.942 2.328 0.695 0.632 0.930 0.616 CB 1.790 87 residues pruned to eliminate duplicates Z: 85 63.008 2.353 0.546 0.647 0.917 0.643 CB 1.798 85 residues pruned to eliminate duplicates Z: 65 55.454 2.352 0.594 0.601 0.906 0.625 CB 1.853 65 residues pruned to eliminate duplicates Z: 112 75.814 2.326 0.687 0.607 0.937 0.622 CB 1.768 112 residues pruned to eliminate duplicates Z: 98 66.935 2.303 0.549 0.622 0.948 0.629 CB 1.791 98 residues pruned to eliminate duplicates Z: 47 41.152 2.319 0.368 0.571 0.978 0.630 CB 1.827 47 residues pruned to eliminate duplicates Z: 52 42.375 2.328 0.451 0.560 0.922 0.549 CB 1.798 52 residues pruned to eliminate duplicates Z: 100 73.986 2.320 0.652 0.650 0.929 0.596 CB 1.815 100 residues pruned to eliminate duplicates Z: 102 64.883 2.337 0.591 0.586 0.921 0.624 CB 1.736 102 residues pruned to eliminate duplicates Z: 44 44.074 2.344 0.526 0.600 0.907 0.605 CB 1.882 44 residues pruned to eliminate duplicates Z: 133 75.015 2.315 0.602 0.588 0.909 0.583 CB 1.779 133 residues pruned to eliminate duplicates Z: 84 64.396 2.348 0.584 0.636 0.916 0.639 CB 1.826 84 residues pruned to eliminate duplicates Z: 85 58.050 2.282 0.559 0.609 0.905 0.571 CB 1.774 85 residues pruned to eliminate duplicates Z: 86 58.725 2.322 0.476 0.638 0.918 0.635 CB 1.781 86 residues pruned to eliminate duplicates Z: 49 45.486 2.348 0.523 0.577 0.917 0.667 CB 1.860 49 residues pruned to eliminate duplicates Z: 63 58.887 2.360 0.698 0.618 0.903 0.581 CB 1.847 63 residues pruned to eliminate duplicates Z: 101 62.025 2.304 0.595 0.577 0.920 0.590 CB 1.702 101 residues pruned to eliminate duplicates Z: 65 60.688 2.357 0.638 0.636 0.938 0.641 CB 1.846 65 residues pruned to eliminate duplicates Z: 73 62.490 2.339 0.591 0.645 0.944 0.681 CB 1.830 73 residues pruned to eliminate duplicates Z: 89 55.424 2.259 0.518 0.587 0.943 0.625 CB 1.680 89 residues pruned to eliminate duplicates Z: 47 44.139 2.311 0.524 0.593 0.913 0.543 CB 1.853 47 residues pruned to eliminate duplicates Z: 102 61.057 2.276 0.526 0.587 0.941 0.653 CB 1.711 102 residues pruned to eliminate duplicates Z: 100 74.837 2.328 0.612 0.666 0.939 0.646 CB 1.830 100 residues pruned to eliminate duplicates Z: 110 70.751 2.329 0.617 0.616 0.899 0.679 CB 1.793 110 residues pruned to eliminate duplicates Z: 97 63.955 2.331 0.537 0.594 0.927 0.677 CB 1.796 97 residues pruned to eliminate duplicates 438 residues left after pruning, divided into chains as follows: A: 11 B: 167 C: 27 D: 233 CC for partial structure against native data = 38.92 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.386, Connect. = 0.752 for dens.mod. cycle 1 = 0.300, Contrast = 0.434, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 0.516, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 0.526, Connect. = 0.803 for dens.mod. cycle 5 = 0.300, Contrast = 0.530, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.807 for dens.mod. cycle 8 = 0.300, Contrast = 0.544, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 0.546, Connect. = 0.808 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.30 - 2.61 - 2.28 - 2.07 - 1.92 - 1.80 - 1.71 - 1.64 - 1.57 - 1.51 0.659 0.688 0.729 0.716 0.680 0.641 0.626 0.620 0.582 0.540 0.844 0.853 0.888 0.874 0.836 0.789 0.766 0.745 0.700 0.644 N 7274 7261 7153 7268 7291 7685 7258 6812 8052 6203 Estimated mean FOM = 0.649 Pseudo-free CC = 67.12 % Best trace (cycle 1 with CC 40.72%) was saved as ./2hi0-1.5-parrot-mrncs/2hi0-1.5-parrot-mrncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 8.7 - FFTs and peak-searches 27.5 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 2374.9 - Tripeptide search 14546.0 - Chain tracing 0.0 - NCS analysis 47.6 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 01:31:05 Total time: 17006.21 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 285.06 Used memory is bytes: 8920048