null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:13:11 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-hancs/2hi0-1.5-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.ins Phases from ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.phi Native data from ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.hkl Listing output to ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.lst Phases output to ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.phs Poly-Ala trace output to ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.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-hancs/2hi0-1.5-parrot-hancs.phi 72257 Reflections read from file ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.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 = 0.358, Connect. = 0.771 for dens.mod. cycle 1 = 0.300, Contrast = 0.423, Connect. = 0.783 for dens.mod. cycle 2 = 0.300, Contrast = 0.496, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.518, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.529, Connect. = 0.808 for dens.mod. cycle 5 = 0.300, Contrast = 0.537, Connect. = 0.810 for dens.mod. cycle 6 = 0.300, Contrast = 0.543, Connect. = 0.811 for dens.mod. cycle 7 = 0.300, Contrast = 0.547, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.551, Connect. = 0.812 for dens.mod. cycle 9 = 0.300, Contrast = 0.553, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3266 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 623 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 37.848 2.346 1.052 0.897 1.000 0.833 CB 1.625 B: 14 39.872 2.317 0.793 0.930 1.000 1.000 CB 1.862 C: 12 37.610 2.367 0.885 0.925 1.000 0.909 CB 1.784 D: 12 43.084 2.326 1.177 0.934 1.000 0.727 CB 1.789 12 residues pruned to eliminate duplicates E: 17 46.897 2.305 0.969 0.925 1.000 0.875 CB 1.812 F: 45 44.390 2.263 0.970 0.568 0.932 0.591 CB 1.508 13 residues pruned to eliminate duplicates G: 15 41.696 2.178 1.007 0.920 1.000 0.857 C 1.795 14 residues pruned to eliminate duplicates H: 14 36.480 2.198 1.102 0.900 1.000 0.923 CB 1.564 14 residues pruned to eliminate duplicates I: 18 21.610 2.205 0.796 0.609 0.941 0.647 CB 1.268 7 residues pruned to eliminate duplicates J: 13 32.871 2.357 0.747 0.889 1.000 0.917 CB 1.660 13 residues pruned to eliminate duplicates K: 10 33.482 2.404 0.987 0.890 1.000 1.000 CB 1.680 10 residues pruned to eliminate duplicates L: 19 40.725 2.106 0.952 0.890 1.000 0.889 CA 1.681 18 residues pruned to eliminate duplicates M: 14 49.533 2.395 1.156 0.934 1.000 1.000 CB 1.855 N: 14 11.857 1.969 0.603 0.343 0.923 0.692 CB 1.339 O: 14 47.561 2.381 1.119 0.934 1.000 0.923 CB 1.822 14 residues pruned to eliminate duplicates P: 13 23.543 2.091 0.647 0.869 1.000 0.833 CB 1.442 14 residues pruned to eliminate duplicates Q: 15 35.685 2.220 0.806 0.917 1.000 0.929 CB 1.678 15 residues pruned to eliminate duplicates R: 59 51.167 2.239 0.983 0.567 0.966 0.655 CB 1.470 57 residues pruned to eliminate duplicates S: 18 44.971 2.330 0.867 0.927 1.000 0.882 CB 1.758 T: 14 41.393 2.306 0.887 0.938 1.000 1.000 CB 1.835 15 residues pruned to eliminate duplicates U: 11 36.789 2.428 0.831 0.935 1.000 1.000 CB 1.823 12 residues pruned to eliminate duplicates V: 13 33.424 2.322 0.843 0.902 1.000 1.000 CB 1.608 13 residues pruned to eliminate duplicates W: 17 50.537 2.293 1.318 0.870 1.000 0.625 CB 1.735 18 residues pruned to eliminate duplicates X: 21 35.915 2.155 0.748 0.831 0.950 0.700 CB 1.686 21 residues pruned to eliminate duplicates Y: 16 35.383 2.101 0.901 0.913 1.000 0.933 CA 1.619 16 residues pruned to eliminate duplicates Z: 15 36.244 2.189 0.788 0.908 1.000 1.000 CA 1.758 15 residues pruned to eliminate duplicates Z: 17 40.418 2.270 0.830 0.919 1.000 1.000 CB 1.713 17 residues pruned to eliminate duplicates Z: 20 33.602 2.213 0.632 0.867 0.947 0.737 CB 1.648 20 residues pruned to eliminate duplicates Z: 12 36.855 2.372 0.823 0.933 1.000 0.909 CB 1.793 11 residues pruned to eliminate duplicates Z: 10 11.024 2.043 0.816 0.352 0.889 0.667 CB 1.308 10 residues pruned to eliminate duplicates Z: 14 18.847 1.923 0.448 0.816 1.000 0.769 CB 1.426 Z: 19 36.065 2.237 0.654 0.901 1.000 0.778 CB 1.640 19 residues pruned to eliminate duplicates Z: 12 24.065 2.077 0.686 0.919 1.000 0.909 CB 1.460 14 residues pruned to eliminate duplicates Z: 10 10.852 1.994 0.318 0.807 0.778 0.667 CA 1.354 Z: 14 25.710 2.192 0.701 0.882 0.923 0.846 CB 1.498 14 residues pruned to eliminate duplicates Z: 21 38.378 2.252 0.779 0.859 0.950 0.650 CB 1.659 19 residues pruned to eliminate duplicates Z: 15 38.910 2.222 0.843 0.934 1.000 0.929 CA 1.771 14 residues pruned to eliminate duplicates Z: 14 29.315 2.211 0.799 0.883 1.000 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 12 31.450 2.131 0.969 0.909 1.000 0.818 CB 1.604 Z: 15 35.130 2.147 0.785 0.917 1.000 1.000 CA 1.728 15 residues pruned to eliminate duplicates Z: 13 18.892 2.023 0.555 0.830 1.000 0.750 CB 1.303 13 residues pruned to eliminate duplicates Z: 14 47.473 2.309 1.084 0.951 1.000 0.846 C 1.886 14 residues pruned to eliminate duplicates Z: 16 43.303 2.297 0.798 0.942 1.000 1.000 CA 1.878 Z: 18 44.809 2.281 0.955 0.896 1.000 0.824 CB 1.745 18 residues pruned to eliminate duplicates Z: 9 12.541 2.055 0.805 0.388 0.875 0.500 C 1.538 Z: 10 18.837 2.238 0.557 0.865 0.889 0.556 CA 1.486 10 residues pruned to eliminate duplicates Z: 17 41.564 2.272 0.802 0.939 1.000 0.938 CB 1.764 16 residues pruned to eliminate duplicates Z: 76 50.383 2.202 0.844 0.571 0.933 0.720 CB 1.434 58 residues pruned to eliminate duplicates Z: 18 36.370 2.061 0.960 0.901 0.941 0.824 CA 1.655 16 residues pruned to eliminate duplicates Z: 12 29.795 2.233 0.811 0.866 1.000 0.909 CB 1.626 12 residues pruned to eliminate duplicates Z: 12 28.915 2.239 0.738 0.885 1.000 1.000 CB 1.618 12 residues pruned to eliminate duplicates Z: 16 36.907 2.081 1.089 0.917 1.000 0.867 CB 1.546 16 residues pruned to eliminate duplicates Z: 18 42.398 2.298 0.805 0.882 1.000 0.647 CB 1.794 18 residues pruned to eliminate duplicates Z: 46 41.756 2.181 0.753 0.637 0.978 0.733 CB 1.465 12 residues pruned to eliminate duplicates Z: 13 34.903 2.248 0.897 0.929 1.000 0.917 CB 1.654 13 residues pruned to eliminate duplicates Z: 15 51.510 2.253 1.441 0.906 1.000 0.786 CA 1.780 15 residues pruned to eliminate duplicates Z: 10 15.978 1.972 0.348 0.805 1.000 0.778 CB 1.536 Z: 38 30.259 2.126 0.901 0.591 0.865 0.676 CB 1.305 19 residues pruned to eliminate duplicates Z: 13 19.501 2.032 0.527 0.828 0.917 0.833 CB 1.489 13 residues pruned to eliminate duplicates Z: 14 50.266 2.352 1.240 0.934 1.000 0.923 CA 1.846 14 residues pruned to eliminate duplicates Z: 17 43.494 2.181 0.950 0.942 1.000 0.938 CB 1.773 18 residues pruned to eliminate duplicates Z: 12 36.608 2.398 0.773 0.878 1.000 0.909 CB 1.885 12 residues pruned to eliminate duplicates Z: 12 26.534 2.213 0.719 0.893 1.000 0.818 CB 1.510 12 residues pruned to eliminate duplicates Z: 11 20.159 2.049 0.524 0.833 1.000 0.700 CA 1.531 10 residues pruned to eliminate duplicates Z: 44 41.583 2.184 0.767 0.646 0.977 0.767 CB 1.468 44 residues pruned to eliminate duplicates Z: 12 33.134 2.296 0.688 0.927 1.000 0.909 CB 1.806 12 residues pruned to eliminate duplicates Z: 14 45.973 2.330 1.030 0.933 1.000 0.923 CB 1.881 14 residues pruned to eliminate duplicates Z: 15 36.291 2.191 0.861 0.910 1.000 0.929 CB 1.687 15 residues pruned to eliminate duplicates Z: 10 23.686 2.212 0.795 0.877 1.000 0.444 CA 1.444 11 residues pruned to eliminate duplicates Z: 11 23.769 2.117 0.793 0.860 1.000 0.800 CA 1.456 10 residues pruned to eliminate duplicates Z: 40 28.896 2.123 0.701 0.473 0.872 0.590 CB 1.510 42 residues pruned to eliminate duplicates Z: 18 36.451 2.149 0.729 0.899 1.000 0.941 CA 1.701 17 residues pruned to eliminate duplicates Z: 12 24.890 2.038 0.766 0.920 1.000 0.909 CA 1.468 12 residues pruned to eliminate duplicates Z: 14 36.986 2.148 1.191 0.907 1.000 0.923 CB 1.550 14 residues pruned to eliminate duplicates Z: 11 24.707 2.171 0.517 0.929 1.000 1.000 CB 1.660 11 residues pruned to eliminate duplicates Z: 17 42.435 2.259 0.899 0.929 1.000 0.875 CB 1.731 17 residues pruned to eliminate duplicates Z: 11 21.136 2.037 0.632 0.904 1.000 0.900 CB 1.431 11 residues pruned to eliminate duplicates Z: 18 38.891 2.165 0.887 0.878 1.000 0.882 CB 1.675 18 residues pruned to eliminate duplicates Z: 11 31.143 2.426 0.630 0.932 1.000 1.000 CB 1.738 11 residues pruned to eliminate duplicates Z: 42 42.586 2.229 0.980 0.543 0.951 0.610 CB 1.518 42 residues pruned to eliminate duplicates Z: 17 46.510 2.179 1.108 0.901 1.000 0.875 CB 1.807 18 residues pruned to eliminate duplicates Z: 10 29.873 2.340 0.871 0.863 1.000 0.889 CB 1.669 10 residues pruned to eliminate duplicates Z: 14 34.470 2.298 0.577 0.928 1.000 1.000 CB 1.846 14 residues pruned to eliminate duplicates Z: 46 47.572 2.293 0.799 0.592 1.000 0.733 CB 1.574 46 residues pruned to eliminate duplicates Z: 12 41.244 2.365 1.127 0.929 1.000 0.818 CB 1.730 12 residues pruned to eliminate duplicates Z: 19 44.779 2.289 0.999 0.920 1.000 0.778 CB 1.625 21 residues pruned to eliminate duplicates Z: 13 31.714 2.247 0.810 0.893 0.917 0.917 CB 1.763 13 residues pruned to eliminate duplicates Z: 14 22.971 1.997 0.803 0.853 1.000 1.000 CB 1.308 Z: 14 38.327 2.353 0.732 0.934 1.000 1.000 CB 1.819 14 residues pruned to eliminate duplicates Z: 24 38.990 2.246 0.786 0.786 0.957 0.565 CB 1.648 24 residues pruned to eliminate duplicates Z: 76 57.291 2.171 0.824 0.652 0.933 0.680 CB 1.554 42 residues pruned to eliminate duplicates Z: 15 33.483 2.190 0.541 0.934 1.000 1.000 CA 1.850 15 residues pruned to eliminate duplicates Z: 15 44.571 2.210 1.259 0.901 0.929 0.857 C 1.835 15 residues pruned to eliminate duplicates Z: 58 36.418 2.120 0.688 0.577 0.930 0.684 CB 1.345 46 residues pruned to eliminate duplicates Z: 10 11.491 1.992 0.629 0.338 1.000 0.667 CB 1.408 10 residues pruned to eliminate duplicates Z: 18 35.618 2.142 0.942 0.835 0.941 0.882 CB 1.653 18 residues pruned to eliminate duplicates Z: 18 31.908 2.167 0.604 0.881 0.941 0.824 CA 1.712 17 residues pruned to eliminate duplicates Z: 21 37.347 2.240 0.797 0.851 0.950 0.650 CB 1.615 21 residues pruned to eliminate duplicates Z: 17 41.623 2.221 0.995 0.935 1.000 0.875 CB 1.637 17 residues pruned to eliminate duplicates Z: 9 19.225 2.014 0.624 0.859 1.000 0.875 CB 1.529 9 residues pruned to eliminate duplicates Z: 106 59.007 2.160 0.757 0.595 0.914 0.667 CB 1.516 65 residues pruned to eliminate duplicates Z: 14 36.605 2.350 0.657 0.941 1.000 1.000 CB 1.809 14 residues pruned to eliminate duplicates Z: 19 40.327 2.264 0.923 0.886 0.944 0.722 CB 1.667 19 residues pruned to eliminate duplicates Z: 14 25.582 2.209 0.758 0.809 1.000 0.846 CB 1.396 14 residues pruned to eliminate duplicates Z: 10 17.300 1.891 0.771 0.857 0.889 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 13 29.515 2.178 0.698 0.915 1.000 0.917 CB 1.628 13 residues pruned to eliminate duplicates Z: 18 51.082 2.187 1.303 0.888 1.000 0.765 C 1.773 18 residues pruned to eliminate duplicates Z: 8 14.556 2.258 0.217 0.845 0.857 0.857 CB 1.738 10 residues pruned to eliminate duplicates Z: 21 31.690 2.015 0.774 0.807 0.950 0.550 CB 1.596 21 residues pruned to eliminate duplicates Z: 9 11.105 2.039 0.089 0.812 1.000 0.750 CA 1.348 9 residues pruned to eliminate duplicates Z: 12 31.952 2.243 1.028 0.870 1.000 0.909 CB 1.545 12 residues pruned to eliminate duplicates Z: 52 47.166 2.230 0.899 0.566 0.941 0.706 CB 1.555 52 residues pruned to eliminate duplicates Z: 22 35.545 2.174 0.784 0.828 0.952 0.810 CB 1.581 22 residues pruned to eliminate duplicates Z: 18 34.791 2.106 1.046 0.831 0.941 0.824 CB 1.564 18 residues pruned to eliminate duplicates Z: 9 16.652 2.168 0.599 0.864 1.000 0.750 CB 1.245 9 residues pruned to eliminate duplicates Z: 12 20.153 2.055 0.463 0.869 1.000 0.818 CB 1.476 12 residues pruned to eliminate duplicates Z: 10 11.072 1.946 0.322 0.873 0.889 0.667 CB 1.176 10 residues pruned to eliminate duplicates Z: 43 37.903 2.200 0.659 0.617 0.976 0.690 CB 1.470 43 residues pruned to eliminate duplicates Z: 17 46.296 2.182 1.320 0.879 0.938 0.875 CB 1.769 17 residues pruned to eliminate duplicates Z: 10 15.023 2.024 0.491 0.807 0.889 0.667 CB 1.428 10 residues pruned to eliminate duplicates Z: 10 11.576 1.944 0.466 0.757 0.778 0.444 CB 1.386 10 residues pruned to eliminate duplicates Z: 18 37.924 2.114 0.870 0.900 1.000 0.765 CB 1.662 18 residues pruned to eliminate duplicates Z: 14 33.387 2.265 0.588 0.940 1.000 0.923 CB 1.789 14 residues pruned to eliminate duplicates Z: 82 53.093 2.208 0.911 0.526 0.914 0.642 CB 1.492 73 residues pruned to eliminate duplicates Z: 66 37.958 2.054 0.663 0.613 0.892 0.585 CB 1.388 66 residues pruned to eliminate duplicates Z: 10 12.504 1.923 0.335 0.856 0.889 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 11 18.354 2.062 0.302 0.909 1.000 0.900 CA 1.534 11 residues pruned to eliminate duplicates Z: 12 30.475 2.212 0.843 0.867 1.000 0.727 CB 1.649 12 residues pruned to eliminate duplicates Z: 13 29.898 2.077 0.987 0.888 1.000 1.000 CB 1.506 13 residues pruned to eliminate duplicates Z: 12 17.388 2.122 0.348 0.870 0.909 0.909 CB 1.472 12 residues pruned to eliminate duplicates Z: 11 14.806 1.979 0.367 0.845 1.000 0.800 CB 1.287 Z: 13 21.647 1.901 0.743 0.876 1.000 0.917 CB 1.371 13 residues pruned to eliminate duplicates Z: 15 51.028 2.254 1.346 0.918 1.000 1.000 CA 1.819 15 residues pruned to eliminate duplicates Z: 22 35.916 2.100 0.819 0.860 0.952 0.619 CB 1.584 22 residues pruned to eliminate duplicates Z: 62 44.104 2.195 0.684 0.594 0.902 0.607 CB 1.548 62 residues pruned to eliminate duplicates Z: 17 37.476 2.188 0.887 0.876 0.938 0.875 CA 1.759 17 residues pruned to eliminate duplicates Z: 18 45.438 2.102 1.368 0.938 0.941 0.941 C 1.636 18 residues pruned to eliminate duplicates Z: 97 70.918 2.240 0.866 0.693 0.948 0.667 CB 1.531 104 residues pruned to eliminate duplicates Z: 16 36.956 2.050 1.031 0.907 1.000 0.800 CA 1.628 16 residues pruned to eliminate duplicates Z: 13 18.696 2.055 0.645 0.805 0.833 0.750 CB 1.469 13 residues pruned to eliminate duplicates Z: 8 16.088 2.219 0.192 0.894 1.000 1.000 CB 1.649 8 residues pruned to eliminate duplicates Z: 11 11.830 1.925 0.448 0.753 0.900 0.600 CB 1.190 11 residues pruned to eliminate duplicates Z: 62 47.921 2.197 0.891 0.531 0.951 0.639 CB 1.507 61 residues pruned to eliminate duplicates Z: 12 30.798 2.240 0.761 0.888 1.000 0.727 CA 1.696 12 residues pruned to eliminate duplicates Z: 13 25.802 2.045 0.954 0.860 0.917 0.750 CB 1.495 13 residues pruned to eliminate duplicates Z: 14 29.691 2.124 0.793 0.927 0.923 0.846 CB 1.641 14 residues pruned to eliminate duplicates Z: 16 40.560 2.318 0.800 0.901 1.000 0.933 CB 1.791 16 residues pruned to eliminate duplicates Z: 10 19.386 1.914 0.647 0.900 1.000 1.000 CB 1.464 10 residues pruned to eliminate duplicates Z: 15 45.541 2.153 1.265 0.932 1.000 0.714 C 1.743 15 residues pruned to eliminate duplicates Z: 13 24.012 2.028 0.805 0.870 1.000 0.833 CB 1.382 13 residues pruned to eliminate duplicates Z: 10 13.165 1.928 0.434 0.801 0.889 0.667 CB 1.372 10 residues pruned to eliminate duplicates Z: 11 16.844 2.018 0.288 0.921 1.000 0.900 CB 1.442 11 residues pruned to eliminate duplicates Z: 11 9.774 1.877 1.388 0.292 0.700 0.400 CB 1.245 11 residues pruned to eliminate duplicates Z: 10 15.242 2.082 0.203 0.857 1.000 0.778 CB 1.495 10 residues pruned to eliminate duplicates Z: 9 14.069 1.939 0.185 0.847 1.000 0.750 CB 1.608 9 residues pruned to eliminate duplicates Z: 12 32.733 2.224 0.991 0.850 1.000 0.727 CB 1.651 12 residues pruned to eliminate duplicates Z: 14 27.695 1.983 0.873 0.897 1.000 0.692 CB 1.480 14 residues pruned to eliminate duplicates Z: 19 36.462 2.174 0.874 0.878 0.944 0.667 CB 1.622 19 residues pruned to eliminate duplicates Z: 14 54.217 2.307 1.543 0.935 1.000 0.923 CA 1.786 14 residues pruned to eliminate duplicates Z: 14 36.227 2.356 0.623 0.939 1.000 1.000 CB 1.826 14 residues pruned to eliminate duplicates Z: 13 22.651 2.003 0.649 0.898 1.000 1.000 CB 1.415 13 residues pruned to eliminate duplicates Z: 15 38.546 2.132 0.941 0.919 1.000 0.929 C 1.755 15 residues pruned to eliminate duplicates Z: 13 30.442 2.246 0.567 0.901 1.000 0.917 CA 1.782 13 residues pruned to eliminate duplicates Z: 11 18.182 2.076 0.346 0.906 1.000 0.900 CB 1.464 11 residues pruned to eliminate duplicates Z: 8 24.061 2.278 0.763 0.782 1.000 0.714 CA 1.766 8 residues pruned to eliminate duplicates Z: 49 39.395 2.080 0.871 0.612 0.958 0.708 CB 1.372 35 residues pruned to eliminate duplicates Z: 13 41.949 2.365 0.978 0.937 1.000 1.000 C 1.801 13 residues pruned to eliminate duplicates Z: 17 49.284 2.235 1.095 0.940 1.000 1.000 CB 1.828 17 residues pruned to eliminate duplicates Z: 18 50.628 2.190 1.251 0.876 1.000 0.765 CA 1.811 18 residues pruned to eliminate duplicates Z: 49 42.084 2.166 0.928 0.566 0.958 0.667 CB 1.425 46 residues pruned to eliminate duplicates Z: 11 13.242 1.983 0.845 0.401 1.000 0.700 CB 1.271 14 residues pruned to eliminate duplicates Z: 22 35.319 2.094 0.894 0.835 0.952 0.619 CB 1.529 22 residues pruned to eliminate duplicates Z: 20 34.633 2.194 0.759 0.843 0.895 0.579 CB 1.714 20 residues pruned to eliminate duplicates Z: 18 35.474 2.254 0.705 0.880 1.000 0.882 CB 1.622 18 residues pruned to eliminate duplicates Z: 12 22.720 2.128 0.528 0.922 1.000 1.000 CB 1.481 12 residues pruned to eliminate duplicates Z: 8 9.391 1.925 0.039 0.871 0.857 0.714 CB 1.510 8 residues pruned to eliminate duplicates Z: 10 13.398 1.996 0.224 0.909 1.000 0.556 CA 1.298 10 residues pruned to eliminate duplicates Z: 9 17.358 1.902 0.937 0.887 1.000 0.750 CB 1.200 Z: 20 38.700 2.270 0.846 0.849 0.947 0.684 CB 1.658 20 residues pruned to eliminate duplicates Z: 8 12.745 2.151 0.263 0.893 1.000 1.000 CB 1.273 8 residues pruned to eliminate duplicates Z: 13 24.427 2.014 0.710 0.929 1.000 1.000 CB 1.433 13 residues pruned to eliminate duplicates Z: 60 53.080 2.229 0.866 0.648 0.915 0.627 CB 1.581 60 residues pruned to eliminate duplicates Z: 23 30.759 2.070 0.592 0.852 1.000 0.773 CB 1.472 23 residues pruned to eliminate duplicates Z: 13 27.052 2.185 0.868 0.874 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 11 18.124 1.828 1.207 0.924 0.900 0.900 CB 1.108 12 residues pruned to eliminate duplicates Z: 9 19.040 1.996 0.785 0.821 1.000 0.750 CB 1.431 9 residues pruned to eliminate duplicates Z: 18 36.700 2.248 0.767 0.890 1.000 0.882 CB 1.612 18 residues pruned to eliminate duplicates Z: 20 32.920 2.195 0.815 0.843 0.895 0.737 CB 1.577 20 residues pruned to eliminate duplicates Z: 19 32.843 2.274 0.603 0.859 0.944 0.833 CB 1.655 19 residues pruned to eliminate duplicates Z: 10 24.341 2.146 0.623 0.925 1.000 1.000 C 1.635 10 residues pruned to eliminate duplicates Z: 17 50.044 2.281 1.091 0.912 1.000 0.750 CA 1.858 18 residues pruned to eliminate duplicates Z: 10 19.748 2.131 0.331 0.915 1.000 1.000 CB 1.640 10 residues pruned to eliminate duplicates Z: 23 40.967 2.230 0.921 0.802 0.955 0.545 CB 1.640 23 residues pruned to eliminate duplicates Z: 14 56.758 2.368 1.481 0.943 1.000 0.923 CB 1.856 14 residues pruned to eliminate duplicates Z: 13 25.647 2.009 0.687 0.919 1.000 0.833 CB 1.540 13 residues pruned to eliminate duplicates Z: 10 14.353 1.930 0.548 0.905 0.889 0.778 CB 1.283 10 residues pruned to eliminate duplicates Z: 9 10.958 1.815 0.444 0.832 1.000 0.875 CB 1.110 9 residues pruned to eliminate duplicates Z: 9 14.477 2.012 0.269 0.908 1.000 0.875 CB 1.423 9 residues pruned to eliminate duplicates Z: 20 31.944 2.182 0.799 0.858 0.842 0.789 CB 1.633 20 residues pruned to eliminate duplicates Z: 12 25.675 2.169 0.591 0.874 1.000 0.818 CB 1.633 12 residues pruned to eliminate duplicates Z: 13 30.740 2.347 0.734 0.898 1.000 0.917 CB 1.560 13 residues pruned to eliminate duplicates Z: 99 61.893 2.177 0.858 0.656 0.918 0.592 CB 1.456 99 residues pruned to eliminate duplicates Z: 92 55.944 2.198 0.755 0.595 0.934 0.637 CB 1.487 92 residues pruned to eliminate duplicates Z: 13 34.678 2.204 1.175 0.883 1.000 0.917 CB 1.510 13 residues pruned to eliminate duplicates Z: 10 12.940 1.883 0.364 0.810 0.889 0.667 CA 1.442 10 residues pruned to eliminate duplicates Z: 10 24.649 2.140 0.619 0.928 1.000 1.000 CA 1.661 10 residues pruned to eliminate duplicates Z: 9 18.839 2.123 0.467 0.905 1.000 0.625 CB 1.522 9 residues pruned to eliminate duplicates Z: 86 64.593 2.256 0.833 0.628 0.929 0.635 CB 1.616 86 residues pruned to eliminate duplicates Z: 13 41.522 2.326 1.124 0.934 1.000 0.750 C 1.691 13 residues pruned to eliminate duplicates Z: 46 44.779 2.178 0.831 0.634 1.000 0.756 CB 1.476 49 residues pruned to eliminate duplicates Z: 11 16.398 1.883 0.589 0.891 1.000 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 12 17.723 1.772 0.913 0.875 1.000 0.727 CB 1.147 12 residues pruned to eliminate duplicates Z: 10 25.265 2.174 0.604 0.911 1.000 1.000 CA 1.711 10 residues pruned to eliminate duplicates Z: 14 6.446 1.915 0.517 0.355 0.846 0.538 CB 0.850 14 residues pruned to eliminate duplicates Z: 11 13.369 1.952 0.266 0.763 0.900 0.500 CA 1.505 11 residues pruned to eliminate duplicates Z: 16 49.100 2.254 1.273 0.948 1.000 0.400 C 1.709 16 residues pruned to eliminate duplicates Z: 18 23.080 2.098 0.669 0.804 0.765 0.647 CB 1.604 18 residues pruned to eliminate duplicates Z: 10 12.883 1.983 0.300 0.826 0.889 0.556 CA 1.414 10 residues pruned to eliminate duplicates Z: 14 26.148 1.968 0.784 0.873 1.000 0.615 CB 1.504 14 residues pruned to eliminate duplicates Z: 17 38.638 2.171 0.957 0.878 0.938 0.875 CA 1.760 17 residues pruned to eliminate duplicates Z: 12 28.022 2.235 0.721 0.856 1.000 0.636 CB 1.619 12 residues pruned to eliminate duplicates Z: 13 24.648 2.015 0.833 0.902 1.000 1.000 CB 1.374 13 residues pruned to eliminate duplicates Z: 22 32.593 2.091 0.645 0.855 1.000 0.762 CB 1.526 22 residues pruned to eliminate duplicates Z: 10 11.310 1.950 0.109 0.879 0.889 0.556 CA 1.422 10 residues pruned to eliminate duplicates Z: 11 18.673 2.119 0.449 0.899 1.000 1.000 CB 1.375 11 residues pruned to eliminate duplicates Z: 18 10.384 1.824 0.714 0.311 0.941 0.529 CB 1.055 13 residues pruned to eliminate duplicates Z: 14 16.164 1.823 0.497 0.905 1.000 0.923 CB 1.169 14 residues pruned to eliminate duplicates Z: 10 16.959 2.199 0.748 0.447 1.000 0.889 CB 1.553 11 residues pruned to eliminate duplicates Z: 14 43.329 2.296 1.080 0.923 1.000 0.769 CB 1.769 14 residues pruned to eliminate duplicates Z: 13 22.883 2.125 0.606 0.868 1.000 0.750 CB 1.415 13 residues pruned to eliminate duplicates Z: 13 21.316 2.055 0.643 0.857 0.917 0.750 CB 1.466 13 residues pruned to eliminate duplicates Z: 13 23.868 1.995 0.781 0.902 1.000 0.917 CB 1.382 13 residues pruned to eliminate duplicates Z: 10 15.432 1.845 0.749 0.884 1.000 0.889 CB 1.152 10 residues pruned to eliminate duplicates Z: 20 39.535 2.205 0.916 0.841 0.947 0.737 CB 1.690 20 residues pruned to eliminate duplicates Z: 8 19.381 2.313 0.521 0.896 1.000 1.000 CB 1.492 8 residues pruned to eliminate duplicates Z: 17 37.268 2.227 0.739 0.921 1.000 0.938 CB 1.693 17 residues pruned to eliminate duplicates Z: 14 17.925 1.774 0.506 0.915 1.000 0.769 CB 1.315 Z: 7 3.969 1.686 0.247 0.259 0.833 0.333 CB 1.219 7 residues pruned to eliminate duplicates Z: 19 41.519 2.141 0.992 0.896 1.000 0.889 CB 1.644 19 residues pruned to eliminate duplicates Z: 14 16.688 1.810 0.358 0.899 1.000 0.923 CB 1.346 15 residues pruned to eliminate duplicates Z: 106 68.156 2.195 0.837 0.633 0.933 0.619 CB 1.560 106 residues pruned to eliminate duplicates Z: 9 14.491 2.111 0.453 0.886 1.000 0.750 CB 1.205 9 residues pruned to eliminate duplicates Z: 14 13.353 1.785 0.435 0.881 0.923 0.846 CB 1.135 14 residues pruned to eliminate duplicates Z: 11 14.188 2.109 0.925 0.414 1.000 0.700 CB 1.209 11 residues pruned to eliminate duplicates Z: 23 31.076 1.999 0.820 0.819 0.955 0.727 CB 1.446 23 residues pruned to eliminate duplicates Z: 13 26.292 2.026 0.944 0.911 1.000 1.000 CB 1.365 13 residues pruned to eliminate duplicates Z: 9 12.506 2.033 0.429 0.725 0.875 0.500 CA 1.420 9 residues pruned to eliminate duplicates Z: 14 20.488 1.904 0.905 0.877 0.923 0.769 CB 1.232 14 residues pruned to eliminate duplicates Z: 21 35.754 2.046 0.933 0.826 0.950 0.550 CB 1.605 21 residues pruned to eliminate duplicates Z: 94 59.824 2.221 0.901 0.573 0.892 0.613 CB 1.534 94 residues pruned to eliminate duplicates Z: 14 25.436 1.949 0.827 0.860 1.000 0.692 CB 1.458 14 residues pruned to eliminate duplicates Z: 11 32.845 2.169 1.133 0.926 1.000 0.900 CB 1.575 11 residues pruned to eliminate duplicates Z: 89 48.422 2.067 0.934 0.610 0.909 0.648 CB 1.279 89 residues pruned to eliminate duplicates Z: 11 19.676 1.897 1.033 0.896 1.000 0.900 CB 1.155 11 residues pruned to eliminate duplicates Z: 12 21.475 2.089 0.487 0.854 1.000 0.818 CB 1.539 12 residues pruned to eliminate duplicates Z: 59 39.703 2.100 0.822 0.578 0.931 0.621 CB 1.357 57 residues pruned to eliminate duplicates Z: 18 39.085 2.269 0.775 0.877 1.000 0.824 CB 1.709 18 residues pruned to eliminate duplicates Z: 6 3.784 1.695 0.572 0.304 0.800 0.600 CB 0.988 6 residues pruned to eliminate duplicates Z: 9 15.256 2.106 0.374 0.878 1.000 0.500 CB 1.353 9 residues pruned to eliminate duplicates Z: 18 37.263 2.193 0.831 0.887 0.941 0.824 CB 1.725 18 residues pruned to eliminate duplicates Z: 82 48.595 2.076 0.772 0.644 0.938 0.704 CB 1.367 73 residues pruned to eliminate duplicates Z: 16 24.585 2.004 0.605 0.940 0.933 0.867 CB 1.469 16 residues pruned to eliminate duplicates Z: 46 38.709 2.162 0.696 0.616 0.978 0.711 CB 1.442 46 residues pruned to eliminate duplicates Z: 14 23.523 1.959 0.934 0.839 1.000 0.769 CB 1.286 14 residues pruned to eliminate duplicates Z: 22 32.557 2.057 0.750 0.793 0.952 0.714 CB 1.603 22 residues pruned to eliminate duplicates Z: 18 31.689 2.260 0.584 0.881 1.000 0.882 CB 1.555 18 residues pruned to eliminate duplicates Z: 13 20.850 2.114 0.553 0.889 1.000 0.917 CB 1.320 13 residues pruned to eliminate duplicates Z: 40 48.183 2.241 1.078 0.606 0.897 0.564 CB 1.670 40 residues pruned to eliminate duplicates Z: 11 20.618 2.066 0.507 0.922 1.000 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 15 30.096 2.156 0.617 0.897 1.000 0.929 CB 1.651 15 residues pruned to eliminate duplicates Z: 21 34.910 2.201 0.740 0.827 0.950 0.650 CB 1.616 21 residues pruned to eliminate duplicates Z: 11 15.796 1.911 0.542 0.910 1.000 0.900 CB 1.202 11 residues pruned to eliminate duplicates Z: 14 29.974 2.018 1.193 0.839 1.000 0.692 C 1.403 13 residues pruned to eliminate duplicates Z: 25 32.916 2.167 1.045 0.616 0.833 0.458 CB 1.630 25 residues pruned to eliminate duplicates Z: 14 38.245 2.258 0.943 0.913 1.000 0.692 C 1.711 15 residues pruned to eliminate duplicates Z: 12 28.132 2.138 0.850 0.929 1.000 1.000 CB 1.501 12 residues pruned to eliminate duplicates Z: 43 46.936 2.235 0.921 0.630 0.976 0.690 CB 1.529 43 residues pruned to eliminate duplicates Z: 13 22.702 2.103 0.642 0.840 1.000 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 7 11.704 2.050 0.622 0.857 0.833 0.667 CB 1.270 7 residues pruned to eliminate duplicates Z: 11 9.690 1.945 0.371 0.771 0.700 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 10 11.110 1.970 0.132 0.793 0.889 0.556 CA 1.445 10 residues pruned to eliminate duplicates Z: 14 15.872 1.780 0.427 0.903 1.000 0.769 CB 1.234 14 residues pruned to eliminate duplicates Z: 10 14.981 1.787 0.929 0.919 1.000 1.000 CB 1.021 10 residues pruned to eliminate duplicates Z: 14 20.238 1.985 0.693 0.838 1.000 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 10 24.111 2.094 1.037 0.915 1.000 0.889 CB 1.331 10 residues pruned to eliminate duplicates Z: 8 3.921 1.673 0.184 0.395 0.857 0.429 CB 0.975 8 residues pruned to eliminate duplicates Z: 10 19.710 2.129 0.371 0.908 1.000 1.000 CB 1.598 10 residues pruned to eliminate duplicates Z: 13 29.027 2.171 0.869 0.864 1.000 0.750 CB 1.514 13 residues pruned to eliminate duplicates Z: 10 13.375 2.000 0.319 0.815 1.000 0.667 CA 1.285 10 residues pruned to eliminate duplicates Z: 11 28.489 2.041 0.959 0.936 1.000 0.900 CA 1.569 11 residues pruned to eliminate duplicates Z: 6 4.677 1.583 0.560 0.292 1.000 0.600 N 1.070 Z: 9 21.424 2.182 0.938 0.880 0.875 0.375 CA 1.484 9 residues pruned to eliminate duplicates Z: 10 18.900 2.125 0.280 0.912 1.000 0.889 CB 1.640 10 residues pruned to eliminate duplicates Z: 32 27.957 2.080 0.619 0.571 0.968 0.645 CB 1.439 32 residues pruned to eliminate duplicates Z: 16 6.713 1.948 0.523 0.308 0.867 0.533 CB 0.834 16 residues pruned to eliminate duplicates Z: 13 14.874 1.872 0.491 0.908 1.000 0.833 CB 1.093 13 residues pruned to eliminate duplicates Z: 13 22.506 1.993 0.741 0.824 1.000 0.583 CB 1.414 13 residues pruned to eliminate duplicates Z: 11 11.680 2.099 1.310 0.351 0.900 0.500 CB 0.994 3 residues pruned to eliminate duplicates Z: 18 12.373 1.955 0.706 0.308 0.882 0.471 CB 1.263 18 residues pruned to eliminate duplicates Z: 18 42.047 2.122 1.135 0.856 1.000 0.765 CB 1.660 18 residues pruned to eliminate duplicates Z: 18 37.854 2.162 0.765 0.926 1.000 0.882 CA 1.687 18 residues pruned to eliminate duplicates Z: 10 14.419 2.005 0.718 0.917 0.889 0.889 CB 1.108 10 residues pruned to eliminate duplicates Z: 17 36.741 2.235 0.689 0.914 1.000 0.812 CB 1.721 17 residues pruned to eliminate duplicates Z: 9 5.288 1.486 0.721 0.425 0.875 0.375 CB 0.903 9 residues pruned to eliminate duplicates Z: 9 8.852 1.862 1.100 0.491 0.875 0.500 CB 0.923 9 residues pruned to eliminate duplicates Z: 12 13.578 1.809 0.323 0.888 0.909 0.818 CB 1.356 12 residues pruned to eliminate duplicates Z: 21 37.503 2.119 0.846 0.854 0.950 0.650 CB 1.667 21 residues pruned to eliminate duplicates Z: 10 14.381 1.974 0.659 0.833 0.778 0.556 C 1.412 10 residues pruned to eliminate duplicates Z: 18 50.745 2.163 1.333 0.879 1.000 0.882 CB 1.769 18 residues pruned to eliminate duplicates Z: 12 33.850 2.234 0.914 0.893 1.000 0.727 CB 1.714 15 residues pruned to eliminate duplicates Z: 9 14.182 1.868 0.628 0.887 1.000 0.750 CB 1.189 9 residues pruned to eliminate duplicates Z: 11 17.584 1.968 0.688 0.900 1.000 0.900 CB 1.196 11 residues pruned to eliminate duplicates Z: 69 41.931 2.098 0.689 0.622 0.926 0.676 CB 1.381 69 residues pruned to eliminate duplicates Z: 9 8.674 1.889 0.629 0.490 0.875 0.500 CB 1.151 7 residues pruned to eliminate duplicates Z: 9 9.494 1.874 0.520 0.528 0.875 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 13 24.119 2.199 0.736 0.689 0.917 0.917 C 1.673 13 residues pruned to eliminate duplicates Z: 6 4.614 1.347 0.451 0.626 1.000 0.600 CA 0.938 6 residues pruned to eliminate duplicates Z: 9 15.043 2.112 0.226 0.848 1.000 0.750 CA 1.525 9 residues pruned to eliminate duplicates Z: 8 9.582 1.849 0.123 0.896 1.000 0.857 CB 1.249 8 residues pruned to eliminate duplicates Z: 21 35.196 2.100 0.883 0.828 0.950 0.550 CB 1.577 21 residues pruned to eliminate duplicates Z: 10 23.312 2.126 0.743 0.767 1.000 0.778 CB 1.656 10 residues pruned to eliminate duplicates Z: 13 21.603 2.042 0.627 0.856 1.000 0.750 CB 1.384 13 residues pruned to eliminate duplicates Z: 9 16.116 1.907 0.788 0.846 1.000 0.875 CB 1.242 9 residues pruned to eliminate duplicates Z: 11 30.463 2.198 0.936 0.937 1.000 1.000 CB 1.575 11 residues pruned to eliminate duplicates Z: 13 19.174 1.911 0.675 0.906 1.000 1.000 CB 1.230 13 residues pruned to eliminate duplicates Z: 11 11.265 1.692 0.313 0.801 1.000 0.700 CB 1.232 11 residues pruned to eliminate duplicates Z: 21 40.482 2.194 0.928 0.881 0.950 0.800 CB 1.631 21 residues pruned to eliminate duplicates Z: 14 16.947 1.814 0.326 0.911 1.000 1.000 CB 1.385 14 residues pruned to eliminate duplicates Z: 18 31.073 2.103 0.633 0.926 1.000 1.000 CB 1.539 18 residues pruned to eliminate duplicates Z: 63 48.576 2.247 0.775 0.599 0.903 0.613 CB 1.559 63 residues pruned to eliminate duplicates Z: 14 14.693 1.785 0.275 0.907 1.000 1.000 CB 1.273 14 residues pruned to eliminate duplicates Z: 13 16.305 1.830 0.724 0.908 1.000 0.833 CB 1.060 13 residues pruned to eliminate duplicates Z: 14 45.475 2.298 1.195 0.923 1.000 0.692 CB 1.757 14 residues pruned to eliminate duplicates Z: 10 20.021 2.027 0.728 0.928 1.000 0.889 CB 1.334 10 residues pruned to eliminate duplicates Z: 21 34.397 2.091 0.935 0.838 0.900 0.750 CB 1.578 21 residues pruned to eliminate duplicates Z: 16 11.089 1.920 0.768 0.440 0.933 0.733 CB 0.962 16 residues pruned to eliminate duplicates Z: 13 30.031 2.228 0.956 0.835 1.000 0.917 CB 1.490 13 residues pruned to eliminate duplicates Z: 12 35.049 2.199 1.094 0.887 1.000 0.818 CB 1.654 12 residues pruned to eliminate duplicates Z: 105 69.376 2.194 0.862 0.646 0.942 0.644 CB 1.542 115 residues pruned to eliminate duplicates Z: 58 40.279 2.165 0.694 0.626 0.930 0.684 CB 1.389 58 residues pruned to eliminate duplicates Z: 9 6.143 1.747 0.375 0.404 0.750 0.625 C 1.334 9 residues pruned to eliminate duplicates Z: 10 16.486 2.076 0.565 0.919 0.889 0.889 CB 1.341 10 residues pruned to eliminate duplicates Z: 16 12.929 2.012 0.776 0.333 0.933 0.400 CB 1.202 7 residues pruned to eliminate duplicates Z: 14 21.002 1.957 0.503 0.921 1.000 0.923 CA 1.393 14 residues pruned to eliminate duplicates Z: 14 17.301 1.933 0.290 0.899 1.000 0.846 CB 1.375 14 residues pruned to eliminate duplicates Z: 13 16.667 1.993 0.619 0.583 0.917 0.750 CB 1.503 13 residues pruned to eliminate duplicates Z: 9 22.049 2.132 0.942 0.835 0.875 0.875 CB 1.612 9 residues pruned to eliminate duplicates Z: 13 13.661 1.845 0.177 0.887 1.000 0.833 CB 1.310 13 residues pruned to eliminate duplicates Z: 45 33.706 2.157 0.608 0.609 0.932 0.682 CB 1.417 45 residues pruned to eliminate duplicates Z: 12 23.276 2.068 0.918 0.896 1.000 0.818 CB 1.267 12 residues pruned to eliminate duplicates Z: 43 43.912 2.166 0.962 0.639 0.976 0.714 CB 1.434 43 residues pruned to eliminate duplicates Z: 84 49.730 2.112 0.762 0.643 0.928 0.663 CB 1.384 84 residues pruned to eliminate duplicates Z: 68 46.197 2.069 0.737 0.667 0.955 0.642 CB 1.409 68 residues pruned to eliminate duplicates Z: 13 22.395 2.011 0.655 0.879 1.000 0.833 CB 1.409 13 residues pruned to eliminate duplicates Z: 14 20.386 1.853 0.777 0.826 0.923 0.692 CA 1.403 13 residues pruned to eliminate duplicates Z: 67 45.217 2.152 0.957 0.520 0.879 0.636 CB 1.475 67 residues pruned to eliminate duplicates Z: 65 50.340 2.143 0.865 0.660 0.938 0.641 CB 1.449 65 residues pruned to eliminate duplicates Z: 34 29.459 2.162 0.654 0.564 0.879 0.576 CB 1.533 34 residues pruned to eliminate duplicates Z: 20 18.006 2.102 0.415 0.565 0.947 0.789 CB 1.376 20 residues pruned to eliminate duplicates Z: 58 35.199 2.100 0.728 0.583 0.912 0.632 CB 1.301 58 residues pruned to eliminate duplicates Z: 19 42.558 2.257 0.789 0.869 1.000 0.778 CB 1.815 19 residues pruned to eliminate duplicates Z: 10 29.579 2.182 1.003 0.846 1.000 0.667 CB 1.677 10 residues pruned to eliminate duplicates Z: 37 33.407 2.180 0.545 0.690 0.944 0.778 CB 1.470 37 residues pruned to eliminate duplicates Z: 13 30.542 2.305 0.722 0.871 1.000 1.000 CB 1.620 13 residues pruned to eliminate duplicates Z: 12 16.707 1.747 0.894 0.726 0.909 0.455 CB 1.367 12 residues pruned to eliminate duplicates Z: 13 24.617 2.043 0.909 0.905 1.000 0.917 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 42.221 2.155 1.187 0.924 1.000 0.857 C 1.681 15 residues pruned to eliminate duplicates Z: 10 10.668 1.939 0.068 0.837 0.889 0.667 CA 1.444 10 residues pruned to eliminate duplicates Z: 15 21.230 2.082 0.383 0.903 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 13 23.743 1.963 0.735 0.812 1.000 0.750 CB 1.535 13 residues pruned to eliminate duplicates Z: 13 21.981 2.107 0.550 0.834 1.000 0.667 CB 1.457 13 residues pruned to eliminate duplicates Z: 15 9.142 2.036 0.543 0.325 0.786 0.500 CB 1.200 15 residues pruned to eliminate duplicates Z: 22 31.776 2.016 0.897 0.838 0.905 0.667 CB 1.498 22 residues pruned to eliminate duplicates Z: 36 40.207 2.097 1.065 0.748 0.943 0.829 CB 1.334 36 residues pruned to eliminate duplicates Z: 35 26.730 2.056 0.562 0.583 0.912 0.471 CB 1.446 35 residues pruned to eliminate duplicates Z: 8 7.492 2.010 0.344 0.470 0.857 0.429 CB 1.260 8 residues pruned to eliminate duplicates Z: 13 18.476 2.060 0.415 0.861 0.917 0.667 CB 1.466 13 residues pruned to eliminate duplicates Z: 10 8.803 1.866 0.136 0.887 1.000 0.889 CB 0.998 10 residues pruned to eliminate duplicates Z: 39 37.934 2.185 0.740 0.631 0.974 0.632 CB 1.470 39 residues pruned to eliminate duplicates Z: 36 39.454 2.157 0.955 0.558 0.943 0.571 CB 1.586 33 residues pruned to eliminate duplicates Z: 18 16.302 2.103 0.394 0.527 0.941 0.706 CB 1.396 18 residues pruned to eliminate duplicates Z: 11 17.146 1.914 0.517 0.867 1.000 0.700 CB 1.366 11 residues pruned to eliminate duplicates Z: 27 25.073 2.051 0.786 0.588 0.962 0.692 CB 1.284 27 residues pruned to eliminate duplicates Z: 9 22.131 2.115 0.761 0.920 1.000 1.000 CB 1.479 9 residues pruned to eliminate duplicates Z: 13 26.736 2.060 0.841 0.868 1.000 0.833 CB 1.488 13 residues pruned to eliminate duplicates Z: 14 36.371 2.280 0.648 0.940 1.000 1.000 C 1.864 14 residues pruned to eliminate duplicates Z: 40 40.396 2.209 0.799 0.606 0.923 0.564 CB 1.594 40 residues pruned to eliminate duplicates Z: 9 19.492 2.098 0.700 0.915 1.000 1.000 CB 1.366 9 residues pruned to eliminate duplicates Z: 12 13.865 1.773 0.519 0.905 1.000 0.727 CB 1.105 12 residues pruned to eliminate duplicates Z: 8 10.947 2.018 1.458 0.321 0.857 0.714 CB 1.186 8 residues pruned to eliminate duplicates Z: 8 18.620 1.861 0.851 0.889 1.000 0.857 C 1.471 8 residues pruned to eliminate duplicates Z: 60 48.112 2.229 0.900 0.580 0.932 0.661 CB 1.469 60 residues pruned to eliminate duplicates Z: 10 30.183 2.080 1.051 0.934 1.000 1.000 CB 1.645 10 residues pruned to eliminate duplicates Z: 23 23.063 2.012 0.635 0.674 0.909 0.682 CB 1.399 23 residues pruned to eliminate duplicates Z: 11 10.220 1.971 -0.063 0.908 1.000 1.000 CB 1.242 11 residues pruned to eliminate duplicates Z: 14 21.890 1.943 0.599 0.917 1.000 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 18 40.188 2.235 1.282 0.666 0.941 0.647 C 1.740 18 residues pruned to eliminate duplicates Z: 10 17.389 2.033 0.439 0.875 1.000 0.778 CA 1.442 10 residues pruned to eliminate duplicates Z: 44 43.155 2.150 0.850 0.597 0.953 0.721 CB 1.583 44 residues pruned to eliminate duplicates Z: 12 34.144 2.303 1.272 0.739 1.000 0.909 CB 1.588 12 residues pruned to eliminate duplicates Z: 7 9.155 1.922 0.329 0.876 1.000 0.833 CB 1.064 7 residues pruned to eliminate duplicates Z: 12 27.123 2.181 0.876 0.856 1.000 0.455 CB 1.474 12 residues pruned to eliminate duplicates Z: 7 6.471 1.663 0.671 0.647 1.000 1.000 C 0.829 7 residues pruned to eliminate duplicates Z: 17 8.795 1.754 0.198 0.569 0.938 0.625 CB 1.044 17 residues pruned to eliminate duplicates Z: 13 11.014 1.681 0.305 0.829 1.000 0.667 CB 1.091 13 residues pruned to eliminate duplicates Z: 8 14.950 1.991 0.733 0.863 1.000 0.571 CB 1.201 8 residues pruned to eliminate duplicates Z: 11 19.352 1.993 0.734 0.857 1.000 0.800 CB 1.304 11 residues pruned to eliminate duplicates Z: 9 17.117 2.081 0.425 0.906 1.000 1.000 CB 1.451 9 residues pruned to eliminate duplicates Z: 6 2.206 1.299 1.092 0.100 0.800 0.400 CB 0.756 Z: 19 45.685 2.082 1.203 0.887 1.000 0.778 CB 1.692 19 residues pruned to eliminate duplicates Z: 7 9.176 1.867 0.654 0.608 0.833 0.667 C 1.314 7 residues pruned to eliminate duplicates Z: 18 38.629 2.300 0.772 0.889 1.000 0.824 CB 1.655 18 residues pruned to eliminate duplicates Z: 6 3.467 1.586 0.333 0.171 1.000 0.400 N 1.093 Z: 10 24.663 2.078 0.725 0.908 1.000 1.000 C 1.629 10 residues pruned to eliminate duplicates Z: 65 51.284 2.221 0.795 0.601 0.906 0.625 CB 1.612 65 residues pruned to eliminate duplicates Z: 13 13.232 1.873 0.723 0.561 0.917 0.750 CB 1.216 13 residues pruned to eliminate duplicates Z: 8 10.791 1.762 0.500 0.868 1.000 0.714 CB 1.127 8 residues pruned to eliminate duplicates Z: 8 13.984 1.881 0.725 0.899 1.000 0.857 CB 1.165 8 residues pruned to eliminate duplicates Z: 50 38.933 2.172 0.726 0.563 0.959 0.694 CB 1.455 50 residues pruned to eliminate duplicates Z: 17 35.005 2.239 0.595 0.914 1.000 0.938 CB 1.733 17 residues pruned to eliminate duplicates Z: 13 23.916 2.010 0.760 0.882 1.000 0.750 CB 1.412 13 residues pruned to eliminate duplicates Z: 11 24.967 1.941 1.032 0.924 1.000 0.700 CB 1.406 11 residues pruned to eliminate duplicates Z: 13 23.169 2.056 0.993 0.636 1.000 0.750 CB 1.438 13 residues pruned to eliminate duplicates Z: 9 19.376 2.072 0.753 0.925 1.000 0.750 CB 1.324 9 residues pruned to eliminate duplicates Z: 11 40.139 2.391 1.217 0.857 1.000 0.900 CB 1.765 11 residues pruned to eliminate duplicates Z: 52 43.812 2.153 0.724 0.613 0.902 0.686 CB 1.647 52 residues pruned to eliminate duplicates Z: 18 33.907 2.193 0.809 0.866 1.000 0.706 CB 1.517 18 residues pruned to eliminate duplicates Z: 48 40.825 2.140 0.876 0.638 0.915 0.617 CB 1.425 48 residues pruned to eliminate duplicates Z: 20 37.210 2.216 0.831 0.889 0.947 0.684 CB 1.599 20 residues pruned to eliminate duplicates Z: 9 20.159 2.086 0.613 0.876 1.000 0.750 CA 1.540 9 residues pruned to eliminate duplicates Z: 17 57.135 2.295 1.340 0.904 1.000 0.812 CA 1.895 30 residues pruned to eliminate duplicates Z: 18 19.927 2.036 0.802 0.579 0.882 0.706 CB 1.383 18 residues pruned to eliminate duplicates Z: 27 30.669 2.075 1.092 0.630 0.885 0.577 CB 1.387 27 residues pruned to eliminate duplicates Z: 19 10.226 1.839 0.230 0.563 0.889 0.778 CB 1.128 11 residues pruned to eliminate duplicates Z: 14 17.640 1.796 0.508 0.881 1.000 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 10 4.695 1.776 0.406 0.336 0.889 0.556 CB 0.843 10 residues pruned to eliminate duplicates Z: 6 5.769 1.907 0.437 0.475 1.000 0.800 CB 0.966 7 residues pruned to eliminate duplicates Z: 7 6.459 1.448 0.844 0.461 1.000 0.667 CB 1.027 7 residues pruned to eliminate duplicates Z: 18 12.312 1.933 0.896 0.362 0.765 0.471 CB 1.236 18 residues pruned to eliminate duplicates Z: 12 21.399 2.057 0.904 0.910 0.909 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 10 18.602 2.060 0.587 0.918 1.000 0.889 CB 1.337 10 residues pruned to eliminate duplicates Z: 14 14.825 1.785 0.485 0.847 1.000 0.538 CB 1.151 14 residues pruned to eliminate duplicates Z: 16 30.223 2.138 0.574 0.926 1.000 1.000 CA 1.626 16 residues pruned to eliminate duplicates Z: 14 17.968 1.808 0.744 0.919 1.000 0.846 CB 1.114 14 residues pruned to eliminate duplicates Z: 11 7.489 1.846 0.243 0.326 0.900 0.600 CB 1.388 11 residues pruned to eliminate duplicates Z: 22 32.082 2.007 0.774 0.849 0.952 0.714 CB 1.531 22 residues pruned to eliminate duplicates Z: 11 33.712 2.482 0.682 0.908 1.000 1.000 CB 1.814 11 residues pruned to eliminate duplicates Z: 78 53.006 2.126 0.863 0.650 0.909 0.688 CB 1.460 78 residues pruned to eliminate duplicates Z: 9 11.840 1.914 0.804 0.619 0.875 0.625 C 1.238 9 residues pruned to eliminate duplicates Z: 41 42.587 2.187 0.881 0.611 0.950 0.650 CB 1.551 26 residues pruned to eliminate duplicates Z: 10 19.660 2.099 0.600 0.918 1.000 0.889 CB 1.376 10 residues pruned to eliminate duplicates Z: 7 7.279 1.407 0.437 0.701 1.000 0.500 C 1.224 7 residues pruned to eliminate duplicates Z: 10 11.197 1.912 -0.040 0.904 1.000 0.889 CB 1.447 10 residues pruned to eliminate duplicates Z: 12 29.917 2.125 1.096 0.862 1.000 0.818 CB 1.487 12 residues pruned to eliminate duplicates Z: 10 13.032 2.022 1.357 0.319 0.778 0.333 CB 1.432 10 residues pruned to eliminate duplicates Z: 12 13.120 1.942 0.407 0.912 1.000 1.000 CB 1.025 12 residues pruned to eliminate duplicates Z: 20 12.595 2.052 0.418 0.492 0.842 0.579 CB 1.188 20 residues pruned to eliminate duplicates Z: 48 39.420 2.109 0.801 0.566 0.979 0.681 CB 1.450 48 residues pruned to eliminate duplicates Z: 21 35.217 2.152 0.953 0.872 0.850 0.750 CB 1.607 21 residues pruned to eliminate duplicates Z: 11 17.325 1.964 0.529 0.907 1.000 0.800 CB 1.297 11 residues pruned to eliminate duplicates Z: 11 12.901 1.831 0.751 0.815 0.700 0.300 CB 1.382 11 residues pruned to eliminate duplicates Z: 8 15.219 1.765 0.990 0.824 1.000 0.714 CB 1.237 8 residues pruned to eliminate duplicates Z: 14 46.330 2.261 1.345 0.941 1.000 0.769 C 1.682 14 residues pruned to eliminate duplicates Z: 49 47.159 2.159 0.942 0.617 0.938 0.646 CB 1.550 48 residues pruned to eliminate duplicates Z: 21 24.448 2.105 0.711 0.708 0.950 0.750 CB 1.322 21 residues pruned to eliminate duplicates Z: 10 16.456 2.161 0.655 0.709 0.889 0.889 CB 1.428 10 residues pruned to eliminate duplicates Z: 13 25.355 1.962 1.090 0.900 1.000 0.917 CB 1.275 13 residues pruned to eliminate duplicates Z: 13 11.061 2.019 0.594 0.349 0.833 0.667 CB 1.403 13 residues pruned to eliminate duplicates Z: 13 14.560 2.080 0.445 0.557 0.917 0.750 CB 1.443 13 residues pruned to eliminate duplicates Z: 33 20.820 2.053 0.706 0.404 0.844 0.594 CB 1.377 33 residues pruned to eliminate duplicates Z: 30 29.275 2.116 0.782 0.559 0.966 0.621 CB 1.410 30 residues pruned to eliminate duplicates Z: 9 17.609 2.131 0.402 0.864 1.000 0.750 CA 1.527 10 residues pruned to eliminate duplicates Z: 7 20.289 2.297 0.825 0.628 1.000 0.833 CB 1.751 7 residues pruned to eliminate duplicates Z: 18 32.748 2.119 0.939 0.857 0.882 0.529 CB 1.614 18 residues pruned to eliminate duplicates Z: 9 7.486 1.790 -0.155 0.851 1.000 0.750 CB 1.295 9 residues pruned to eliminate duplicates Z: 27 14.300 1.916 0.629 0.457 0.846 0.577 CB 1.109 27 residues pruned to eliminate duplicates Z: 11 29.715 2.192 0.903 0.931 1.000 0.900 CB 1.574 11 residues pruned to eliminate duplicates Z: 8 10.114 1.922 0.325 0.768 0.857 0.714 CB 1.381 8 residues pruned to eliminate duplicates Z: 19 33.906 2.251 0.715 0.891 0.944 0.611 CB 1.575 19 residues pruned to eliminate duplicates Z: 8 15.409 1.865 0.931 0.903 1.000 0.857 CB 1.153 8 residues pruned to eliminate duplicates Z: 12 44.918 2.340 1.177 0.923 1.000 0.727 CB 1.867 12 residues pruned to eliminate duplicates Z: 10 27.047 2.161 0.881 0.900 1.000 0.889 C 1.584 10 residues pruned to eliminate duplicates Z: 14 18.993 1.802 0.515 0.917 1.000 0.846 CB 1.361 14 residues pruned to eliminate duplicates Z: 10 10.682 1.836 0.357 0.603 1.000 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 9 11.415 2.014 0.247 0.828 0.875 0.875 CB 1.383 9 residues pruned to eliminate duplicates Z: 8 8.651 1.662 0.589 0.422 1.000 0.857 CB 1.343 8 residues pruned to eliminate duplicates Z: 18 18.724 2.006 0.528 0.693 0.882 0.824 CB 1.407 18 residues pruned to eliminate duplicates Z: 11 16.499 1.997 0.559 0.626 1.000 0.800 C 1.488 11 residues pruned to eliminate duplicates Z: 15 17.396 1.713 0.605 0.918 1.000 0.929 CB 1.192 15 residues pruned to eliminate duplicates Z: 38 43.277 2.247 1.161 0.517 0.919 0.486 CB 1.568 38 residues pruned to eliminate duplicates Z: 41 37.958 2.137 0.950 0.579 0.925 0.650 CB 1.444 41 residues pruned to eliminate duplicates Z: 12 23.781 2.077 0.660 0.865 1.000 0.909 CB 1.524 12 residues pruned to eliminate duplicates Z: 53 34.595 2.015 0.664 0.567 0.923 0.500 CB 1.453 53 residues pruned to eliminate duplicates Z: 6 3.369 2.051 -0.123 0.285 0.800 0.400 C 1.333 6 residues pruned to eliminate duplicates Z: 12 23.113 2.031 0.973 0.670 0.909 0.909 CB 1.636 12 residues pruned to eliminate duplicates Z: 45 45.744 2.183 0.936 0.596 0.932 0.636 CB 1.597 45 residues pruned to eliminate duplicates Z: 7 16.604 2.008 1.543 0.707 1.000 0.833 CB 1.099 7 residues pruned to eliminate duplicates Z: 55 39.974 2.087 0.755 0.615 0.981 0.741 CB 1.358 55 residues pruned to eliminate duplicates Z: 12 12.899 2.199 1.364 0.205 0.727 0.273 CB 1.460 12 residues pruned to eliminate duplicates Z: 41 49.058 2.182 1.024 0.629 0.950 0.600 CB 1.637 41 residues pruned to eliminate duplicates Z: 23 31.125 2.299 0.963 0.562 0.909 0.682 CB 1.523 23 residues pruned to eliminate duplicates Z: 8 10.784 1.967 0.518 0.465 0.857 0.714 C 1.651 8 residues pruned to eliminate duplicates Z: 13 18.407 1.827 0.774 0.854 0.917 0.750 CB 1.321 13 residues pruned to eliminate duplicates Z: 11 15.972 1.917 0.985 0.714 0.800 0.800 CB 1.367 11 residues pruned to eliminate duplicates Z: 43 44.964 2.276 0.979 0.561 0.905 0.571 CB 1.604 43 residues pruned to eliminate duplicates Z: 40 35.808 2.152 0.759 0.629 0.949 0.692 CB 1.414 40 residues pruned to eliminate duplicates Z: 12 42.554 2.365 1.054 0.931 1.000 0.636 CB 1.845 12 residues pruned to eliminate duplicates Z: 22 22.541 2.113 0.694 0.697 0.810 0.714 CB 1.418 22 residues pruned to eliminate duplicates Z: 12 19.454 1.968 0.610 0.778 1.000 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 55 40.887 2.238 0.582 0.554 0.926 0.574 CB 1.610 55 residues pruned to eliminate duplicates Z: 35 20.418 1.910 0.591 0.522 0.941 0.647 CB 1.198 35 residues pruned to eliminate duplicates Z: 30 31.862 2.143 0.878 0.471 0.931 0.759 CB 1.627 30 residues pruned to eliminate duplicates Z: 19 22.746 1.979 0.613 0.650 1.000 0.667 CB 1.460 19 residues pruned to eliminate duplicates Z: 7 6.308 1.695 0.408 0.763 0.833 0.667 CB 1.025 7 residues pruned to eliminate duplicates 465 residues left after pruning, divided into chains as follows: A: 115 B: 97 C: 119 D: 16 E: 70 F: 48 CC for partial structure against native data = 41.63 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.376, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.425, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.508, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.806 for dens.mod. cycle 4 = 0.300, Contrast = 0.524, Connect. = 0.807 for dens.mod. cycle 5 = 0.300, Contrast = 0.529, Connect. = 0.809 for dens.mod. cycle 6 = 0.300, Contrast = 0.536, Connect. = 0.810 for dens.mod. cycle 7 = 0.300, Contrast = 0.540, Connect. = 0.811 for dens.mod. cycle 8 = 0.300, Contrast = 0.544, Connect. = 0.811 for dens.mod. cycle 9 = 0.300, Contrast = 0.547, Connect. = 0.812 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3368 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 700 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 40 32.519 2.242 0.544 0.548 0.897 0.744 CB 1.599 B: 12 46.114 2.534 0.943 0.916 1.000 0.909 CB 1.994 C: 15 36.811 2.315 0.524 0.941 1.000 1.000 CA 1.935 D: 13 40.665 2.443 0.901 0.869 1.000 0.917 CB 1.847 13 residues pruned to eliminate duplicates E: 7 18.356 2.479 0.681 0.690 1.000 0.667 CB 1.510 7 residues pruned to eliminate duplicates F: 97 51.071 2.235 0.639 0.501 0.906 0.583 CB 1.569 35 residues pruned to eliminate duplicates G: 10 34.721 2.529 0.743 0.848 1.000 0.889 CB 1.947 10 residues pruned to eliminate duplicates H: 15 39.668 2.321 0.709 0.886 1.000 0.786 CA 1.929 I: 17 45.657 2.398 0.838 0.904 1.000 0.938 CB 1.844 J: 12 46.628 2.522 0.990 0.890 1.000 1.000 CB 2.016 12 residues pruned to eliminate duplicates K: 13 45.873 2.461 1.034 0.891 1.000 0.917 CB 1.902 13 residues pruned to eliminate duplicates L: 18 43.481 2.379 0.893 0.845 1.000 0.647 CB 1.741 18 residues pruned to eliminate duplicates M: 15 35.105 2.306 0.487 0.913 1.000 0.929 CB 1.936 15 residues pruned to eliminate duplicates N: 16 43.456 2.154 1.156 0.859 1.000 0.800 CA 1.779 15 residues pruned to eliminate duplicates O: 15 43.272 2.338 0.799 0.942 1.000 0.929 CB 1.906 15 residues pruned to eliminate duplicates P: 14 29.769 2.302 0.536 0.903 1.000 1.000 CB 1.664 14 residues pruned to eliminate duplicates Q: 13 35.046 2.458 0.621 0.875 1.000 0.917 CB 1.846 13 residues pruned to eliminate duplicates R: 16 48.694 2.422 0.870 0.933 1.000 0.867 CB 1.937 16 residues pruned to eliminate duplicates S: 16 36.768 2.212 0.664 0.912 1.000 0.933 C 1.827 16 residues pruned to eliminate duplicates T: 13 35.556 2.309 0.779 0.891 1.000 0.833 CB 1.796 U: 10 13.403 1.987 0.218 0.846 0.889 0.889 CA 1.543 V: 14 58.192 2.478 1.214 0.932 1.000 0.923 CB 2.054 16 residues pruned to eliminate duplicates W: 15 51.752 2.374 1.036 0.920 1.000 0.929 CA 2.015 15 residues pruned to eliminate duplicates X: 17 44.916 2.417 0.675 0.909 1.000 1.000 CB 1.969 Y: 14 37.397 2.274 0.836 0.849 1.000 0.846 CB 1.843 13 residues pruned to eliminate duplicates Z: 15 37.784 2.299 0.585 0.916 1.000 1.000 CB 1.957 15 residues pruned to eliminate duplicates Z: 12 16.727 2.016 0.482 0.831 1.000 0.727 CB 1.267 Z: 138 75.269 2.342 0.607 0.574 0.964 0.672 CB 1.652 111 residues pruned to eliminate duplicates Z: 15 46.807 2.374 0.873 0.940 1.000 1.000 CA 1.953 15 residues pruned to eliminate duplicates Z: 24 31.158 2.056 0.541 0.773 0.957 0.565 CB 1.684 Z: 10 14.496 2.086 0.115 0.893 1.000 0.889 CA 1.491 Z: 15 38.587 2.320 0.581 0.907 1.000 0.929 CB 1.998 15 residues pruned to eliminate duplicates Z: 14 33.148 2.123 0.981 0.903 0.923 0.769 CB 1.687 14 residues pruned to eliminate duplicates Z: 13 21.867 1.950 0.754 0.915 1.000 0.917 CB 1.305 Z: 18 37.009 2.292 0.520 0.865 1.000 0.941 CB 1.887 18 residues pruned to eliminate duplicates Z: 17 50.425 2.378 1.000 0.931 1.000 0.875 CB 1.853 17 residues pruned to eliminate duplicates Z: 12 47.045 2.444 1.075 0.934 1.000 0.909 CB 1.949 12 residues pruned to eliminate duplicates Z: 18 40.677 2.386 0.746 0.871 1.000 0.882 CB 1.728 18 residues pruned to eliminate duplicates Z: 14 33.223 2.279 0.766 0.842 1.000 0.923 CB 1.707 14 residues pruned to eliminate duplicates Z: 16 37.269 2.193 0.880 0.876 0.933 0.867 CA 1.817 16 residues pruned to eliminate duplicates Z: 12 16.707 2.096 0.192 0.887 0.909 0.909 CB 1.599 12 residues pruned to eliminate duplicates Z: 11 12.897 2.170 0.657 0.302 0.900 0.500 CB 1.571 Z: 15 36.246 2.285 0.566 0.893 1.000 0.929 CB 1.943 15 residues pruned to eliminate duplicates Z: 16 41.800 2.241 0.904 0.938 1.000 0.867 CA 1.759 16 residues pruned to eliminate duplicates Z: 15 11.177 2.034 0.455 0.324 0.857 0.500 CB 1.428 12 residues pruned to eliminate duplicates Z: 18 40.497 2.285 0.702 0.863 1.000 0.824 CA 1.853 18 residues pruned to eliminate duplicates Z: 12 47.564 2.496 1.013 0.882 1.000 0.818 CB 2.065 12 residues pruned to eliminate duplicates Z: 22 44.616 2.324 0.704 0.839 1.000 0.667 CA 1.836 22 residues pruned to eliminate duplicates Z: 18 43.571 2.288 0.863 0.865 1.000 0.941 CB 1.817 18 residues pruned to eliminate duplicates Z: 87 60.773 2.297 0.633 0.621 0.919 0.651 CB 1.696 88 residues pruned to eliminate duplicates Z: 12 26.285 2.168 0.564 0.925 1.000 1.000 CA 1.640 12 residues pruned to eliminate duplicates Z: 17 46.091 2.390 0.847 0.918 1.000 0.875 CB 1.841 17 residues pruned to eliminate duplicates Z: 18 37.122 2.292 0.589 0.905 0.941 0.941 CA 1.870 18 residues pruned to eliminate duplicates Z: 12 24.189 2.247 0.262 0.915 1.000 1.000 CB 1.818 Z: 13 28.853 2.053 0.727 0.920 1.000 0.917 CB 1.654 13 residues pruned to eliminate duplicates Z: 19 43.867 2.354 0.687 0.878 1.000 0.889 CA 1.889 19 residues pruned to eliminate duplicates Z: 22 46.133 2.363 0.715 0.832 0.952 0.714 C 1.958 22 residues pruned to eliminate duplicates Z: 13 45.371 2.489 0.814 0.926 1.000 0.833 C 2.034 14 residues pruned to eliminate duplicates Z: 11 21.802 2.178 0.397 0.909 1.000 0.700 CA 1.609 10 residues pruned to eliminate duplicates Z: 25 44.125 2.342 0.697 0.757 1.000 0.625 CA 1.803 25 residues pruned to eliminate duplicates Z: 15 28.333 2.162 0.663 0.872 0.929 0.786 CA 1.653 15 residues pruned to eliminate duplicates Z: 18 38.201 2.256 0.686 0.875 1.000 0.882 CB 1.772 18 residues pruned to eliminate duplicates Z: 10 24.385 2.300 0.653 0.833 1.000 0.667 CA 1.605 11 residues pruned to eliminate duplicates Z: 15 40.003 2.346 0.661 0.922 1.000 1.000 CA 1.929 15 residues pruned to eliminate duplicates Z: 16 39.238 2.172 0.882 0.901 1.000 0.933 C 1.769 16 residues pruned to eliminate duplicates Z: 13 37.836 2.302 0.858 0.891 1.000 0.833 CB 1.836 13 residues pruned to eliminate duplicates Z: 18 42.308 2.251 0.808 0.902 1.000 0.882 CB 1.798 18 residues pruned to eliminate duplicates Z: 14 50.075 2.442 0.944 0.940 1.000 1.000 C 2.032 14 residues pruned to eliminate duplicates Z: 9 17.903 2.189 0.540 0.864 0.875 0.500 CA 1.574 9 residues pruned to eliminate duplicates Z: 9 12.284 2.088 0.117 0.831 0.875 0.625 CB 1.599 9 residues pruned to eliminate duplicates Z: 99 77.661 2.345 0.747 0.671 0.939 0.714 CB 1.742 100 residues pruned to eliminate duplicates Z: 19 41.515 2.229 0.835 0.877 1.000 0.833 CA 1.737 19 residues pruned to eliminate duplicates Z: 17 47.945 2.369 0.986 0.926 1.000 0.875 CB 1.787 17 residues pruned to eliminate duplicates Z: 62 53.753 2.359 0.637 0.632 0.885 0.639 CB 1.780 62 residues pruned to eliminate duplicates Z: 10 30.131 2.489 0.472 0.916 1.000 0.889 CA 1.935 10 residues pruned to eliminate duplicates Z: 9 12.491 2.106 0.059 0.816 0.875 0.625 C 1.720 Z: 10 14.750 2.101 0.911 0.366 1.000 0.889 CB 1.414 14 residues pruned to eliminate duplicates Z: 16 45.908 2.180 1.176 0.881 1.000 0.667 CA 1.809 16 residues pruned to eliminate duplicates Z: 10 13.702 2.135 0.146 0.784 0.889 0.556 CA 1.636 10 residues pruned to eliminate duplicates Z: 18 37.577 2.209 0.697 0.923 0.941 0.941 CB 1.815 18 residues pruned to eliminate duplicates Z: 9 16.913 2.279 0.134 0.892 1.000 0.750 CA 1.662 9 residues pruned to eliminate duplicates Z: 14 58.241 2.523 1.126 0.942 1.000 1.000 CA 2.088 14 residues pruned to eliminate duplicates Z: 9 14.150 2.182 0.001 0.876 1.000 0.875 CB 1.664 8 residues pruned to eliminate duplicates Z: 15 39.864 2.342 0.627 0.925 1.000 0.929 CA 1.962 15 residues pruned to eliminate duplicates Z: 19 37.192 2.181 0.669 0.859 1.000 0.889 CA 1.771 19 residues pruned to eliminate duplicates Z: 13 26.892 2.144 0.539 0.853 1.000 0.750 CB 1.739 12 residues pruned to eliminate duplicates Z: 19 42.768 2.455 0.540 0.867 1.000 0.778 CA 1.950 19 residues pruned to eliminate duplicates Z: 8 16.362 2.236 0.810 0.573 0.857 0.857 CA 1.662 Z: 11 19.825 2.164 0.189 0.924 1.000 0.900 CB 1.713 11 residues pruned to eliminate duplicates Z: 13 34.298 2.291 0.785 0.887 1.000 0.833 C 1.746 13 residues pruned to eliminate duplicates Z: 13 24.431 2.125 0.504 0.884 1.000 0.833 CB 1.595 13 residues pruned to eliminate duplicates Z: 18 40.500 2.226 0.884 0.835 1.000 0.765 CA 1.754 18 residues pruned to eliminate duplicates Z: 9 26.146 2.204 0.673 0.834 1.000 1.000 CA 1.880 9 residues pruned to eliminate duplicates Z: 10 16.222 2.038 0.207 0.824 1.000 0.556 C 1.661 10 residues pruned to eliminate duplicates Z: 14 27.695 2.131 0.482 0.919 1.000 0.923 CA 1.713 14 residues pruned to eliminate duplicates Z: 13 28.209 2.119 0.734 0.870 1.000 0.917 CB 1.617 13 residues pruned to eliminate duplicates Z: 13 38.290 2.306 0.905 0.876 1.000 0.833 CB 1.828 13 residues pruned to eliminate duplicates Z: 11 17.259 1.810 0.405 0.881 1.000 1.000 CB 1.554 11 residues pruned to eliminate duplicates Z: 70 43.998 2.197 0.574 0.582 0.942 0.638 CB 1.503 26 residues pruned to eliminate duplicates Z: 22 40.207 2.245 0.783 0.820 0.952 0.619 CA 1.744 22 residues pruned to eliminate duplicates Z: 12 29.648 2.258 0.632 0.880 1.000 0.818 CA 1.758 12 residues pruned to eliminate duplicates Z: 21 39.775 2.157 0.687 0.893 1.000 0.750 CB 1.754 24 residues pruned to eliminate duplicates Z: 14 25.616 2.062 0.577 0.888 0.923 0.923 C 1.706 14 residues pruned to eliminate duplicates Z: 18 38.131 2.155 0.828 0.892 0.941 0.824 CB 1.792 18 residues pruned to eliminate duplicates Z: 16 39.901 2.181 0.918 0.878 1.000 0.800 CA 1.787 16 residues pruned to eliminate duplicates Z: 11 29.987 2.314 0.601 0.927 1.000 1.000 CA 1.794 11 residues pruned to eliminate duplicates Z: 12 34.125 2.375 0.700 0.865 1.000 0.818 CB 1.867 12 residues pruned to eliminate duplicates Z: 18 42.125 2.274 0.804 0.852 1.000 0.706 CA 1.843 18 residues pruned to eliminate duplicates Z: 25 34.450 2.306 0.398 0.769 0.958 0.667 CA 1.794 25 residues pruned to eliminate duplicates Z: 7 14.305 2.407 0.182 0.809 0.833 0.500 CA 1.881 7 residues pruned to eliminate duplicates Z: 12 26.502 2.177 0.580 0.843 1.000 0.727 CB 1.730 12 residues pruned to eliminate duplicates Z: 13 30.235 2.119 0.779 0.884 1.000 0.917 CB 1.673 13 residues pruned to eliminate duplicates Z: 13 26.648 2.148 0.431 0.941 1.000 0.917 CA 1.737 13 residues pruned to eliminate duplicates Z: 25 42.878 2.341 0.612 0.819 1.000 0.542 CA 1.758 25 residues pruned to eliminate duplicates Z: 10 16.861 2.084 0.508 0.795 0.889 0.556 CA 1.553 10 residues pruned to eliminate duplicates Z: 76 39.920 2.178 0.393 0.586 0.947 0.773 CB 1.477 58 residues pruned to eliminate duplicates Z: 12 21.637 2.253 0.279 0.824 0.909 0.727 CB 1.881 12 residues pruned to eliminate duplicates Z: 11 20.834 2.282 0.380 0.921 0.900 0.800 CA 1.636 11 residues pruned to eliminate duplicates Z: 14 37.798 2.370 0.576 0.915 1.000 1.000 C 1.983 14 residues pruned to eliminate duplicates Z: 15 35.136 2.113 1.023 0.816 1.000 0.857 C 1.669 15 residues pruned to eliminate duplicates Z: 45 44.434 2.202 0.799 0.614 0.955 0.568 CB 1.590 45 residues pruned to eliminate duplicates Z: 13 30.177 2.233 0.769 0.876 1.000 0.833 CB 1.604 13 residues pruned to eliminate duplicates Z: 17 36.540 2.333 0.555 0.924 1.000 0.938 CB 1.769 17 residues pruned to eliminate duplicates Z: 18 45.557 2.349 0.833 0.896 1.000 0.941 CA 1.838 17 residues pruned to eliminate duplicates Z: 8 24.691 2.334 0.499 0.891 1.000 1.000 CA 1.917 10 residues pruned to eliminate duplicates Z: 9 11.631 2.094 0.100 0.751 0.875 0.500 CA 1.631 9 residues pruned to eliminate duplicates Z: 14 24.356 1.936 0.604 0.921 1.000 0.923 C 1.530 Z: 15 52.043 2.364 1.081 0.932 1.000 0.929 CA 1.974 15 residues pruned to eliminate duplicates Z: 16 35.124 2.190 0.685 0.890 1.000 0.800 CA 1.767 16 residues pruned to eliminate duplicates Z: 10 19.233 2.055 0.367 0.830 1.000 0.778 CA 1.717 10 residues pruned to eliminate duplicates Z: 15 15.344 2.035 0.667 0.357 0.929 0.714 CB 1.519 10 residues pruned to eliminate duplicates Z: 18 41.799 2.307 0.687 0.888 1.000 0.765 CA 1.877 18 residues pruned to eliminate duplicates Z: 13 33.278 2.232 0.881 0.909 0.917 0.750 CB 1.771 13 residues pruned to eliminate duplicates Z: 10 24.090 2.046 0.633 0.880 1.000 0.889 CA 1.742 10 residues pruned to eliminate duplicates Z: 22 36.151 2.306 0.569 0.821 0.905 0.667 CB 1.825 22 residues pruned to eliminate duplicates Z: 9 21.566 2.117 0.506 0.917 1.000 1.000 CA 1.688 10 residues pruned to eliminate duplicates Z: 21 26.112 1.908 0.701 0.840 0.950 0.600 CB 1.413 21 residues pruned to eliminate duplicates Z: 10 17.153 2.226 0.033 0.924 1.000 1.000 CB 1.747 11 residues pruned to eliminate duplicates Z: 14 40.839 2.242 1.003 0.869 1.000 0.846 CA 1.842 14 residues pruned to eliminate duplicates Z: 13 31.488 2.217 0.689 0.874 1.000 0.917 CB 1.766 13 residues pruned to eliminate duplicates Z: 10 11.470 1.989 0.145 0.668 0.889 0.778 CA 1.618 10 residues pruned to eliminate duplicates Z: 13 31.533 2.287 0.685 0.813 1.000 0.833 CB 1.799 13 residues pruned to eliminate duplicates Z: 10 16.944 2.091 0.180 0.876 1.000 0.778 CA 1.664 10 residues pruned to eliminate duplicates Z: 14 19.012 2.000 0.335 0.858 0.923 0.846 CB 1.575 15 residues pruned to eliminate duplicates Z: 13 24.747 2.020 0.614 0.880 1.000 0.750 C 1.588 13 residues pruned to eliminate duplicates Z: 17 29.493 2.217 0.435 0.886 0.938 0.938 CB 1.784 17 residues pruned to eliminate duplicates Z: 9 23.815 2.430 0.472 0.892 1.000 0.750 CA 1.691 9 residues pruned to eliminate duplicates Z: 74 56.651 2.353 0.663 0.599 0.918 0.726 CB 1.680 74 residues pruned to eliminate duplicates Z: 11 29.978 2.259 0.723 0.901 1.000 1.000 CA 1.738 11 residues pruned to eliminate duplicates Z: 11 18.552 2.115 0.245 0.904 1.000 0.900 CB 1.586 11 residues pruned to eliminate duplicates Z: 40 39.774 2.306 0.815 0.555 0.846 0.641 CB 1.704 20 residues pruned to eliminate duplicates Z: 18 45.629 2.449 0.729 0.846 1.000 0.765 CA 1.942 18 residues pruned to eliminate duplicates Z: 15 27.034 2.196 0.508 0.876 0.929 0.786 CB 1.708 15 residues pruned to eliminate duplicates Z: 13 23.654 2.204 0.583 0.794 0.917 0.667 CB 1.651 13 residues pruned to eliminate duplicates Z: 15 46.216 2.345 0.961 0.916 1.000 0.929 CA 1.897 15 residues pruned to eliminate duplicates Z: 6 8.599 2.008 1.215 0.463 0.600 0.600 CB 1.496 6 residues pruned to eliminate duplicates Z: 10 23.207 2.033 0.588 0.872 1.000 1.000 CA 1.747 10 residues pruned to eliminate duplicates Z: 19 33.395 2.333 0.581 0.750 1.000 0.833 CB 1.706 19 residues pruned to eliminate duplicates Z: 59 42.473 2.233 0.639 0.579 0.931 0.759 CB 1.516 59 residues pruned to eliminate duplicates Z: 14 22.150 2.092 0.566 0.839 1.000 0.692 CB 1.401 Z: 13 24.520 2.124 0.463 0.892 1.000 1.000 CB 1.637 13 residues pruned to eliminate duplicates Z: 13 30.283 2.187 0.836 0.883 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 22 29.301 2.182 0.483 0.803 0.905 0.619 CA 1.676 22 residues pruned to eliminate duplicates Z: 9 14.594 2.020 0.412 0.865 1.000 0.750 CB 1.325 9 residues pruned to eliminate duplicates Z: 25 39.410 2.226 0.615 0.780 0.958 0.667 CB 1.823 21 residues pruned to eliminate duplicates Z: 67 54.240 2.343 0.833 0.512 0.924 0.606 CB 1.663 68 residues pruned to eliminate duplicates Z: 8 10.424 2.198 0.107 0.831 0.857 0.714 CB 1.419 8 residues pruned to eliminate duplicates Z: 11 18.913 2.113 0.256 0.921 1.000 1.000 CA 1.587 11 residues pruned to eliminate duplicates Z: 18 50.909 2.303 1.068 0.899 1.000 0.941 CB 1.853 19 residues pruned to eliminate duplicates Z: 17 43.616 2.373 0.827 0.920 1.000 0.938 CB 1.771 17 residues pruned to eliminate duplicates Z: 16 35.544 2.145 0.765 0.849 1.000 0.867 C 1.797 15 residues pruned to eliminate duplicates Z: 18 38.435 2.284 0.732 0.847 1.000 0.882 CB 1.749 18 residues pruned to eliminate duplicates Z: 68 53.496 2.348 0.613 0.622 0.866 0.612 CB 1.776 68 residues pruned to eliminate duplicates Z: 11 11.780 1.999 0.087 0.920 1.000 0.900 CB 1.207 11 residues pruned to eliminate duplicates Z: 11 13.782 1.991 0.174 0.788 0.900 0.700 CA 1.608 11 residues pruned to eliminate duplicates Z: 18 38.969 2.252 0.991 0.909 0.941 0.941 C 1.590 18 residues pruned to eliminate duplicates Z: 18 31.127 2.354 0.399 0.892 1.000 0.882 CB 1.647 18 residues pruned to eliminate duplicates Z: 11 21.740 2.095 0.617 0.923 1.000 0.700 CA 1.427 10 residues pruned to eliminate duplicates Z: 13 21.887 2.036 0.730 0.834 0.917 0.833 CB 1.468 13 residues pruned to eliminate duplicates Z: 14 21.321 1.985 0.360 0.886 1.000 0.923 CB 1.581 14 residues pruned to eliminate duplicates Z: 14 19.139 2.043 0.381 0.846 1.000 0.846 CB 1.398 14 residues pruned to eliminate duplicates Z: 13 23.595 2.077 0.401 0.896 1.000 0.917 CB 1.677 13 residues pruned to eliminate duplicates Z: 103 72.799 2.338 0.667 0.640 0.922 0.627 CB 1.760 103 residues pruned to eliminate duplicates Z: 74 43.795 2.196 0.534 0.591 0.932 0.726 CB 1.498 74 residues pruned to eliminate duplicates Z: 59 53.288 2.302 0.799 0.541 0.948 0.690 CB 1.711 59 residues pruned to eliminate duplicates Z: 13 31.263 2.265 0.853 0.860 1.000 0.583 CB 1.582 13 residues pruned to eliminate duplicates Z: 12 21.426 2.222 0.288 0.916 1.000 0.909 CA 1.594 12 residues pruned to eliminate duplicates Z: 11 21.283 1.959 0.864 0.916 1.000 0.800 CB 1.302 10 residues pruned to eliminate duplicates Z: 59 42.300 2.189 0.590 0.584 0.948 0.741 CB 1.552 59 residues pruned to eliminate duplicates Z: 10 24.594 2.021 0.893 0.845 1.000 0.889 C 1.594 10 residues pruned to eliminate duplicates Z: 37 34.862 2.239 0.809 0.479 0.944 0.722 CB 1.552 37 residues pruned to eliminate duplicates Z: 13 30.862 2.256 0.613 0.904 1.000 0.833 CA 1.744 13 residues pruned to eliminate duplicates Z: 13 25.486 2.109 0.726 0.872 0.917 0.917 CB 1.607 13 residues pruned to eliminate duplicates Z: 40 53.750 2.318 1.080 0.601 0.923 0.538 CB 1.757 27 residues pruned to eliminate duplicates Z: 11 19.920 2.255 0.228 0.864 1.000 0.800 CB 1.669 11 residues pruned to eliminate duplicates Z: 22 41.813 2.286 0.575 0.857 1.000 0.714 CB 1.867 25 residues pruned to eliminate duplicates Z: 10 17.630 1.922 0.495 0.821 1.000 0.778 CA 1.549 10 residues pruned to eliminate duplicates Z: 13 29.375 2.215 0.712 0.881 1.000 0.667 CB 1.619 13 residues pruned to eliminate duplicates Z: 36 36.206 2.189 0.488 0.636 0.971 0.571 CB 1.702 36 residues pruned to eliminate duplicates Z: 13 24.699 2.114 0.673 0.885 1.000 1.000 CB 1.455 13 residues pruned to eliminate duplicates Z: 9 22.946 2.172 0.490 0.889 1.000 0.875 CB 1.805 9 residues pruned to eliminate duplicates Z: 14 21.564 2.002 0.619 0.755 0.923 0.692 CB 1.593 14 residues pruned to eliminate duplicates Z: 12 32.699 2.190 0.782 0.901 1.000 0.818 CB 1.803 12 residues pruned to eliminate duplicates Z: 12 16.848 2.062 0.320 0.695 0.909 0.727 CA 1.717 12 residues pruned to eliminate duplicates Z: 10 14.794 2.009 0.186 0.870 1.000 0.667 C 1.511 10 residues pruned to eliminate duplicates Z: 10 15.399 1.975 0.323 0.927 1.000 1.000 CB 1.376 10 residues pruned to eliminate duplicates Z: 10 20.341 2.104 0.549 0.886 1.000 0.889 CA 1.501 10 residues pruned to eliminate duplicates Z: 9 28.929 2.240 0.730 0.911 1.000 1.000 CA 1.870 9 residues pruned to eliminate duplicates Z: 8 19.066 2.192 0.539 0.827 1.000 0.857 CB 1.609 8 residues pruned to eliminate duplicates Z: 15 54.213 2.309 1.286 0.952 1.000 0.786 CB 1.890 15 residues pruned to eliminate duplicates Z: 12 17.167 1.840 0.576 0.840 0.909 0.818 C 1.465 12 residues pruned to eliminate duplicates Z: 18 46.296 2.312 0.866 0.894 1.000 0.882 CA 1.867 18 residues pruned to eliminate duplicates Z: 10 22.131 2.021 0.618 0.834 1.000 0.667 CB 1.692 10 residues pruned to eliminate duplicates Z: 13 24.746 1.984 0.708 0.913 1.000 0.833 CA 1.492 13 residues pruned to eliminate duplicates Z: 13 26.187 2.160 0.478 0.912 1.000 0.833 CB 1.677 13 residues pruned to eliminate duplicates Z: 11 23.634 2.158 0.475 0.920 1.000 0.900 CB 1.653 11 residues pruned to eliminate duplicates Z: 22 40.163 2.295 0.629 0.856 0.952 0.714 CA 1.815 22 residues pruned to eliminate duplicates Z: 76 43.863 2.200 0.550 0.592 0.933 0.733 CB 1.457 76 residues pruned to eliminate duplicates Z: 13 27.663 2.300 0.359 0.909 1.000 0.833 CA 1.814 13 residues pruned to eliminate duplicates Z: 87 51.707 2.288 0.608 0.528 0.930 0.698 CB 1.585 87 residues pruned to eliminate duplicates Z: 40 44.169 2.311 0.782 0.592 0.923 0.615 CB 1.703 40 residues pruned to eliminate duplicates Z: 14 23.856 1.987 0.609 0.870 1.000 0.846 CB 1.510 13 residues pruned to eliminate duplicates Z: 14 25.081 2.025 0.545 0.869 1.000 0.846 CB 1.623 14 residues pruned to eliminate duplicates Z: 10 13.942 2.165 0.009 0.909 1.000 0.889 CB 1.509 10 residues pruned to eliminate duplicates Z: 13 23.411 2.144 0.597 0.818 0.917 0.750 CB 1.634 13 residues pruned to eliminate duplicates Z: 9 11.450 2.011 0.159 0.869 1.000 0.875 CB 1.268 9 residues pruned to eliminate duplicates Z: 9 17.845 2.136 0.327 0.912 1.000 1.000 CB 1.576 8 residues pruned to eliminate duplicates Z: 11 19.265 2.111 0.379 0.878 1.000 0.700 CB 1.519 11 residues pruned to eliminate duplicates Z: 22 35.547 2.256 0.486 0.845 1.000 0.810 CA 1.721 22 residues pruned to eliminate duplicates Z: 10 14.858 1.993 0.208 0.834 1.000 0.667 CA 1.543 10 residues pruned to eliminate duplicates Z: 18 44.649 2.343 0.934 0.876 1.000 0.882 CB 1.737 18 residues pruned to eliminate duplicates Z: 13 32.138 2.133 0.987 0.899 1.000 0.583 CB 1.565 13 residues pruned to eliminate duplicates Z: 6 6.380 1.802 0.941 0.500 0.800 0.600 CB 1.020 9 residues pruned to eliminate duplicates Z: 17 40.742 2.357 0.748 0.921 1.000 0.875 CB 1.739 17 residues pruned to eliminate duplicates Z: 11 23.341 2.147 0.429 0.922 1.000 0.800 CB 1.691 11 residues pruned to eliminate duplicates Z: 99 66.653 2.302 0.698 0.608 0.929 0.602 CB 1.675 99 residues pruned to eliminate duplicates Z: 9 12.447 1.928 0.330 0.882 1.000 0.750 CB 1.242 9 residues pruned to eliminate duplicates Z: 18 44.504 2.344 0.777 0.877 1.000 0.882 CB 1.881 18 residues pruned to eliminate duplicates Z: 11 22.903 2.052 0.585 0.906 1.000 0.600 CA 1.584 11 residues pruned to eliminate duplicates Z: 19 32.052 2.282 0.434 0.867 0.944 0.833 CB 1.788 19 residues pruned to eliminate duplicates Z: 51 43.440 2.350 0.506 0.571 0.900 0.560 CB 1.801 51 residues pruned to eliminate duplicates Z: 13 15.683 2.020 0.217 0.920 1.000 0.833 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 21.597 1.864 0.492 0.881 1.000 0.714 C 1.503 15 residues pruned to eliminate duplicates Z: 9 13.604 2.207 0.235 0.861 0.875 0.750 CB 1.482 9 residues pruned to eliminate duplicates Z: 18 54.342 2.273 1.206 0.920 1.000 0.882 CA 1.851 17 residues pruned to eliminate duplicates Z: 17 38.321 2.358 0.653 0.890 1.000 0.875 CB 1.768 17 residues pruned to eliminate duplicates Z: 13 24.720 2.084 0.732 0.862 0.917 0.917 CA 1.584 13 residues pruned to eliminate duplicates Z: 11 27.471 2.352 0.373 0.886 1.000 0.800 CB 1.940 11 residues pruned to eliminate duplicates Z: 15 37.036 2.207 0.906 0.834 1.000 0.786 CA 1.764 15 residues pruned to eliminate duplicates Z: 21 38.018 2.238 0.749 0.833 0.900 0.700 CB 1.811 21 residues pruned to eliminate duplicates Z: 6 8.711 1.911 0.809 0.651 0.800 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 18 47.293 2.283 0.913 0.878 1.000 0.941 CB 1.905 18 residues pruned to eliminate duplicates Z: 12 40.442 2.370 0.891 0.924 1.000 0.818 C 1.911 12 residues pruned to eliminate duplicates Z: 11 23.775 2.060 0.697 0.923 1.000 0.700 CB 1.511 11 residues pruned to eliminate duplicates Z: 10 22.765 2.008 0.689 0.858 1.000 0.667 CB 1.648 10 residues pruned to eliminate duplicates Z: 19 44.494 2.403 0.719 0.881 1.000 0.722 CB 1.838 19 residues pruned to eliminate duplicates Z: 16 17.397 1.797 0.464 0.859 0.933 0.800 CB 1.347 16 residues pruned to eliminate duplicates Z: 8 12.602 2.123 0.192 0.848 1.000 0.857 CB 1.396 8 residues pruned to eliminate duplicates Z: 14 58.336 2.477 1.191 0.951 1.000 0.846 CA 2.055 14 residues pruned to eliminate duplicates Z: 54 47.318 2.257 0.774 0.634 0.887 0.698 CB 1.614 54 residues pruned to eliminate duplicates Z: 7 5.062 1.605 0.266 0.390 1.000 0.333 CB 1.143 Z: 10 24.287 2.101 0.634 0.912 1.000 0.889 CA 1.671 10 residues pruned to eliminate duplicates Z: 12 30.018 2.245 0.599 0.925 1.000 1.000 CB 1.769 12 residues pruned to eliminate duplicates Z: 11 28.512 2.155 0.714 0.924 1.000 0.800 CB 1.714 11 residues pruned to eliminate duplicates Z: 76 54.034 2.219 0.648 0.631 0.920 0.640 CB 1.639 73 residues pruned to eliminate duplicates Z: 16 38.943 2.421 0.519 0.923 1.000 0.933 C 1.921 16 residues pruned to eliminate duplicates Z: 24 46.565 2.316 0.756 0.772 1.000 0.739 CA 1.877 24 residues pruned to eliminate duplicates Z: 7 5.315 1.720 0.420 0.246 0.833 0.667 CB 1.428 7 residues pruned to eliminate duplicates Z: 13 23.578 2.076 0.520 0.904 1.000 0.917 CB 1.536 13 residues pruned to eliminate duplicates Z: 14 40.909 2.461 0.611 0.936 1.000 1.000 CA 1.993 14 residues pruned to eliminate duplicates Z: 20 31.599 2.130 0.726 0.846 0.895 0.632 CB 1.637 20 residues pruned to eliminate duplicates Z: 14 28.494 2.071 0.679 0.870 1.000 0.615 CB 1.659 14 residues pruned to eliminate duplicates Z: 18 42.350 2.341 0.827 0.882 1.000 0.882 CB 1.738 18 residues pruned to eliminate duplicates Z: 14 24.487 1.943 0.581 0.911 1.000 0.846 CB 1.567 14 residues pruned to eliminate duplicates Z: 9 17.323 2.146 0.385 0.921 1.000 0.875 CB 1.450 9 residues pruned to eliminate duplicates Z: 17 53.311 2.399 0.996 0.903 1.000 0.875 CB 1.984 17 residues pruned to eliminate duplicates Z: 13 22.549 2.130 0.519 0.870 1.000 0.833 CB 1.469 13 residues pruned to eliminate duplicates Z: 11 17.806 2.047 0.496 0.927 1.000 1.000 CB 1.288 11 residues pruned to eliminate duplicates Z: 54 41.556 2.199 0.671 0.574 0.962 0.660 CB 1.504 54 residues pruned to eliminate duplicates Z: 14 23.259 1.955 0.669 0.926 1.000 0.846 CB 1.387 14 residues pruned to eliminate duplicates Z: 47 48.170 2.332 1.019 0.574 0.848 0.543 CB 1.656 49 residues pruned to eliminate duplicates Z: 15 44.473 2.287 1.050 0.919 1.000 0.929 C 1.786 15 residues pruned to eliminate duplicates Z: 13 25.586 2.002 0.766 0.916 1.000 0.917 CA 1.475 13 residues pruned to eliminate duplicates Z: 13 25.611 2.174 0.732 0.829 0.917 0.833 CB 1.612 13 residues pruned to eliminate duplicates Z: 25 36.459 2.275 0.473 0.780 0.958 0.708 CB 1.811 25 residues pruned to eliminate duplicates Z: 22 36.609 2.171 0.520 0.844 1.000 0.762 CA 1.802 22 residues pruned to eliminate duplicates Z: 10 25.307 2.311 0.389 0.829 1.000 0.778 C 1.977 10 residues pruned to eliminate duplicates Z: 14 16.918 2.109 0.643 0.403 1.000 0.692 CB 1.500 14 residues pruned to eliminate duplicates Z: 11 22.635 2.133 0.522 0.900 1.000 0.700 CB 1.575 11 residues pruned to eliminate duplicates Z: 9 23.508 2.183 0.521 0.879 1.000 1.000 CB 1.815 9 residues pruned to eliminate duplicates Z: 17 35.468 2.301 0.499 0.938 1.000 1.000 CB 1.788 17 residues pruned to eliminate duplicates Z: 8 11.727 2.041 0.922 0.328 0.857 0.714 C 1.591 8 residues pruned to eliminate duplicates Z: 14 21.555 2.058 0.570 0.819 1.000 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 12 14.658 2.115 0.110 0.921 1.000 0.909 CB 1.324 12 residues pruned to eliminate duplicates Z: 13 26.772 2.086 0.665 0.887 1.000 0.833 CB 1.605 13 residues pruned to eliminate duplicates Z: 11 19.932 2.108 0.350 0.891 1.000 0.800 CB 1.592 11 residues pruned to eliminate duplicates Z: 15 20.812 1.827 0.455 0.889 1.000 0.929 CB 1.506 15 residues pruned to eliminate duplicates Z: 44 54.458 2.399 0.804 0.622 0.953 0.698 CB 1.793 44 residues pruned to eliminate duplicates Z: 35 39.358 2.197 0.861 0.720 0.912 0.706 CB 1.483 26 residues pruned to eliminate duplicates Z: 15 15.659 1.825 0.303 0.890 1.000 0.786 CB 1.265 15 residues pruned to eliminate duplicates Z: 10 10.019 2.133 0.070 0.862 0.778 0.667 CA 1.381 10 residues pruned to eliminate duplicates Z: 17 47.793 2.365 0.930 0.932 1.000 1.000 CB 1.828 17 residues pruned to eliminate duplicates Z: 20 17.192 2.094 0.596 0.523 0.842 0.526 CB 1.370 20 residues pruned to eliminate duplicates Z: 13 22.947 2.059 0.451 0.904 1.000 0.833 CB 1.578 13 residues pruned to eliminate duplicates Z: 14 9.871 2.048 0.495 0.358 0.846 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 21 39.507 2.237 0.610 0.841 1.000 0.800 CB 1.830 21 residues pruned to eliminate duplicates Z: 52 46.620 2.344 0.505 0.566 0.961 0.569 CB 1.806 52 residues pruned to eliminate duplicates Z: 22 39.406 2.218 0.660 0.872 1.000 0.762 CB 1.702 22 residues pruned to eliminate duplicates Z: 22 35.330 2.266 0.567 0.836 0.952 0.667 CA 1.707 22 residues pruned to eliminate duplicates Z: 11 15.754 2.010 0.312 0.905 1.000 1.000 CB 1.345 11 residues pruned to eliminate duplicates Z: 8 11.506 2.052 0.194 0.891 1.000 0.857 CB 1.276 8 residues pruned to eliminate duplicates Z: 23 40.131 2.265 0.619 0.809 1.000 0.773 CB 1.783 23 residues pruned to eliminate duplicates Z: 18 35.124 2.210 0.687 0.850 1.000 0.824 CB 1.691 18 residues pruned to eliminate duplicates Z: 14 23.877 2.020 0.562 0.880 0.923 0.769 CB 1.647 14 residues pruned to eliminate duplicates Z: 10 11.269 2.054 0.367 0.846 0.667 0.444 CA 1.491 10 residues pruned to eliminate duplicates Z: 41 50.228 2.357 0.820 0.627 0.950 0.650 CB 1.729 41 residues pruned to eliminate duplicates Z: 23 40.383 2.254 0.699 0.796 0.955 0.500 CB 1.817 23 residues pruned to eliminate duplicates Z: 17 45.890 2.352 0.934 0.906 1.000 0.938 CB 1.793 17 residues pruned to eliminate duplicates Z: 7 4.842 2.025 0.125 0.399 0.833 0.333 CB 1.158 7 residues pruned to eliminate duplicates Z: 10 12.204 2.087 0.168 0.875 0.778 0.778 CA 1.560 10 residues pruned to eliminate duplicates Z: 15 17.046 1.868 0.558 0.876 0.929 0.786 CB 1.226 15 residues pruned to eliminate duplicates Z: 42 39.658 2.131 0.750 0.610 0.902 0.634 CB 1.657 37 residues pruned to eliminate duplicates Z: 14 17.670 1.897 0.630 0.900 0.923 0.846 CB 1.226 14 residues pruned to eliminate duplicates Z: 12 9.963 2.123 0.699 0.281 0.818 0.545 CB 1.303 12 residues pruned to eliminate duplicates Z: 12 18.397 2.102 0.369 0.928 1.000 0.909 CB 1.350 12 residues pruned to eliminate duplicates Z: 16 9.089 2.039 0.554 0.373 0.867 0.533 CB 0.979 16 residues pruned to eliminate duplicates Z: 39 53.095 2.346 0.976 0.624 0.947 0.658 CB 1.745 39 residues pruned to eliminate duplicates Z: 13 18.338 2.000 0.342 0.901 1.000 0.917 CB 1.408 13 residues pruned to eliminate duplicates Z: 18 13.532 2.116 0.677 0.274 0.824 0.588 CB 1.452 18 residues pruned to eliminate duplicates Z: 37 44.388 2.225 0.772 0.733 0.917 0.667 CB 1.661 37 residues pruned to eliminate duplicates Z: 8 3.922 1.931 0.209 0.290 0.857 0.714 CB 0.937 8 residues pruned to eliminate duplicates Z: 11 13.757 1.942 0.202 0.904 1.000 0.900 CB 1.327 11 residues pruned to eliminate duplicates Z: 18 39.192 2.352 0.644 0.866 1.000 0.882 CB 1.799 18 residues pruned to eliminate duplicates Z: 38 32.061 2.238 0.622 0.467 0.892 0.622 CB 1.683 38 residues pruned to eliminate duplicates Z: 13 27.912 2.081 0.771 0.940 1.000 1.000 CA 1.518 13 residues pruned to eliminate duplicates Z: 18 44.269 2.236 1.039 0.880 1.000 0.706 CA 1.708 18 residues pruned to eliminate duplicates Z: 11 18.906 1.894 0.726 0.893 1.000 0.500 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 29.024 2.169 0.764 0.885 1.000 0.917 CB 1.581 13 residues pruned to eliminate duplicates Z: 40 40.751 2.281 0.716 0.649 0.897 0.744 CB 1.618 40 residues pruned to eliminate duplicates Z: 12 30.197 2.177 0.755 0.898 1.000 0.818 CB 1.705 12 residues pruned to eliminate duplicates Z: 14 19.584 2.066 0.390 0.833 1.000 0.846 CB 1.418 14 residues pruned to eliminate duplicates Z: 7 5.101 1.701 0.451 0.247 1.000 0.500 CB 1.129 7 residues pruned to eliminate duplicates Z: 12 13.939 1.897 0.366 0.886 1.000 0.909 CB 1.170 12 residues pruned to eliminate duplicates Z: 23 39.565 2.263 0.591 0.842 1.000 0.727 CA 1.746 23 residues pruned to eliminate duplicates Z: 11 20.449 1.944 0.747 0.910 1.000 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 56 50.340 2.255 0.743 0.641 0.964 0.727 CB 1.570 72 residues pruned to eliminate duplicates Z: 79 63.542 2.297 0.621 0.660 0.936 0.641 CB 1.780 79 residues pruned to eliminate duplicates Z: 46 46.714 2.268 0.696 0.628 1.000 0.644 CB 1.604 46 residues pruned to eliminate duplicates Z: 7 12.611 2.101 0.233 0.901 1.000 1.000 CB 1.419 7 residues pruned to eliminate duplicates Z: 11 32.669 2.267 0.778 0.901 1.000 0.700 CA 1.829 11 residues pruned to eliminate duplicates Z: 9 17.906 2.180 0.501 0.742 0.875 0.625 CB 1.779 9 residues pruned to eliminate duplicates Z: 55 41.881 2.247 0.541 0.614 0.944 0.722 CB 1.564 55 residues pruned to eliminate duplicates Z: 10 6.426 1.939 0.288 0.330 0.778 0.556 CB 1.328 Z: 8 5.008 1.665 0.269 0.209 0.857 0.429 CB 1.472 8 residues pruned to eliminate duplicates Z: 9 29.730 2.431 0.607 0.910 1.000 1.000 CA 1.908 9 residues pruned to eliminate duplicates Z: 66 52.387 2.295 0.701 0.598 0.877 0.631 CB 1.729 66 residues pruned to eliminate duplicates Z: 15 48.669 2.301 1.024 0.942 1.000 0.857 CB 1.938 15 residues pruned to eliminate duplicates Z: 12 29.119 2.218 0.579 0.914 1.000 0.818 CB 1.773 12 residues pruned to eliminate duplicates Z: 11 12.976 2.028 -0.068 0.924 1.000 0.900 CB 1.526 11 residues pruned to eliminate duplicates Z: 36 41.580 2.223 0.852 0.736 0.943 0.657 CB 1.465 37 residues pruned to eliminate duplicates Z: 20 25.741 2.085 0.729 0.824 0.789 0.632 CB 1.566 20 residues pruned to eliminate duplicates Z: 18 8.019 1.872 0.257 0.310 0.882 0.353 CB 1.156 18 residues pruned to eliminate duplicates Z: 6 5.661 1.784 0.631 0.286 0.800 0.800 CB 1.383 6 residues pruned to eliminate duplicates Z: 20 33.328 2.112 0.663 0.856 0.947 0.579 C 1.696 20 residues pruned to eliminate duplicates Z: 18 38.521 2.207 0.881 0.847 0.941 0.765 CB 1.775 18 residues pruned to eliminate duplicates Z: 40 35.441 2.147 0.703 0.621 0.897 0.667 CB 1.542 40 residues pruned to eliminate duplicates Z: 13 14.785 2.071 0.328 0.868 0.833 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 86 56.741 2.201 0.729 0.650 0.929 0.647 CB 1.513 86 residues pruned to eliminate duplicates Z: 18 29.498 2.313 0.445 0.858 1.000 0.882 CB 1.576 18 residues pruned to eliminate duplicates Z: 44 42.522 2.259 0.570 0.635 1.000 0.767 CB 1.611 44 residues pruned to eliminate duplicates Z: 10 18.200 2.074 0.634 0.853 0.889 0.556 CB 1.489 10 residues pruned to eliminate duplicates Z: 102 63.072 2.330 0.577 0.588 0.941 0.604 CB 1.668 102 residues pruned to eliminate duplicates Z: 10 19.082 1.998 0.644 0.907 1.000 1.000 CB 1.377 10 residues pruned to eliminate duplicates Z: 41 44.731 2.287 0.824 0.599 0.900 0.725 CB 1.714 41 residues pruned to eliminate duplicates Z: 9 27.307 2.214 0.643 0.888 1.000 1.000 CB 1.913 9 residues pruned to eliminate duplicates Z: 35 59.004 2.382 0.945 0.673 1.000 0.676 CB 1.861 35 residues pruned to eliminate duplicates Z: 11 13.760 2.192 0.457 0.419 0.900 0.700 CB 1.647 11 residues pruned to eliminate duplicates Z: 21 37.924 2.215 0.689 0.843 0.950 0.650 CA 1.776 21 residues pruned to eliminate duplicates Z: 7 10.305 1.645 0.527 0.768 1.000 0.333 CB 1.320 Z: 43 39.115 2.278 0.741 0.536 0.952 0.762 CB 1.543 43 residues pruned to eliminate duplicates Z: 36 35.267 2.226 0.671 0.722 0.914 0.829 CB 1.434 36 residues pruned to eliminate duplicates Z: 16 48.523 2.416 0.820 0.955 1.000 1.000 C 1.959 16 residues pruned to eliminate duplicates Z: 19 10.103 1.938 0.586 0.317 0.833 0.500 CB 1.138 19 residues pruned to eliminate duplicates Z: 20 15.066 2.126 0.397 0.442 0.895 0.579 CB 1.381 20 residues pruned to eliminate duplicates Z: 14 21.149 2.031 0.441 0.872 1.000 0.923 CB 1.461 14 residues pruned to eliminate duplicates Z: 12 13.942 2.076 0.104 0.925 1.000 1.000 CB 1.287 12 residues pruned to eliminate duplicates Z: 11 9.454 1.961 0.400 0.525 1.000 0.500 CB 1.063 5 residues pruned to eliminate duplicates Z: 16 6.169 1.944 0.297 0.280 0.867 0.533 CB 0.934 16 residues pruned to eliminate duplicates Z: 39 29.065 2.221 0.484 0.520 0.868 0.658 CB 1.614 39 residues pruned to eliminate duplicates Z: 24 44.685 2.388 0.577 0.820 1.000 0.826 CA 1.875 24 residues pruned to eliminate duplicates Z: 9 22.208 2.219 0.608 0.918 1.000 0.875 CB 1.552 9 residues pruned to eliminate duplicates Z: 62 51.785 2.344 0.680 0.571 0.934 0.738 CB 1.682 69 residues pruned to eliminate duplicates Z: 13 23.922 2.075 0.485 0.897 1.000 0.833 CB 1.604 13 residues pruned to eliminate duplicates Z: 74 59.780 2.357 0.674 0.596 0.918 0.603 CB 1.763 74 residues pruned to eliminate duplicates Z: 43 44.479 2.276 0.669 0.622 1.000 0.786 CB 1.610 43 residues pruned to eliminate duplicates Z: 13 20.377 2.083 0.375 0.882 0.917 0.917 CA 1.621 13 residues pruned to eliminate duplicates Z: 14 19.498 1.970 0.429 0.880 0.923 0.769 CB 1.508 13 residues pruned to eliminate duplicates Z: 14 13.599 2.043 0.067 0.776 1.000 0.769 CB 1.356 14 residues pruned to eliminate duplicates Z: 11 25.005 2.150 0.581 0.901 1.000 0.800 CA 1.660 11 residues pruned to eliminate duplicates Z: 13 30.084 2.384 0.648 0.842 1.000 0.917 CB 1.647 13 residues pruned to eliminate duplicates Z: 12 23.709 2.345 0.386 0.845 0.909 0.727 CB 1.798 12 residues pruned to eliminate duplicates Z: 6 4.725 1.494 0.303 0.625 1.000 0.400 CA 0.965 6 residues pruned to eliminate duplicates Z: 6 12.901 2.160 0.359 0.844 1.000 1.000 CB 1.462 6 residues pruned to eliminate duplicates Z: 77 58.971 2.253 0.608 0.652 0.947 0.658 CB 1.711 77 residues pruned to eliminate duplicates Z: 9 14.752 2.057 0.263 0.826 1.000 0.750 CA 1.513 9 residues pruned to eliminate duplicates Z: 11 27.474 2.225 0.614 0.887 1.000 0.800 C 1.744 11 residues pruned to eliminate duplicates Z: 116 72.671 2.316 0.659 0.610 0.930 0.678 CB 1.709 116 residues pruned to eliminate duplicates Z: 13 28.203 2.082 0.875 0.897 1.000 0.833 CB 1.493 13 residues pruned to eliminate duplicates Z: 13 17.928 2.025 0.396 0.912 1.000 0.917 CB 1.296 13 residues pruned to eliminate duplicates Z: 17 12.227 2.110 0.349 0.354 0.875 0.625 CB 1.436 17 residues pruned to eliminate duplicates Z: 12 19.774 2.106 0.258 0.939 1.000 1.000 CB 1.563 12 residues pruned to eliminate duplicates Z: 98 64.621 2.272 0.703 0.654 0.918 0.629 CB 1.602 99 residues pruned to eliminate duplicates Z: 14 27.749 2.200 0.534 0.861 0.923 0.846 CB 1.816 14 residues pruned to eliminate duplicates Z: 12 17.281 2.007 0.353 0.915 1.000 0.909 CB 1.356 12 residues pruned to eliminate duplicates Z: 10 16.481 1.945 0.326 0.825 1.000 0.667 CA 1.608 10 residues pruned to eliminate duplicates Z: 13 22.177 1.996 0.494 0.924 1.000 1.000 CB 1.507 13 residues pruned to eliminate duplicates Z: 15 50.105 2.290 1.160 0.922 1.000 0.786 C 1.904 15 residues pruned to eliminate duplicates Z: 12 21.336 2.092 0.520 0.881 1.000 1.000 CB 1.466 12 residues pruned to eliminate duplicates Z: 75 43.783 2.154 0.583 0.571 0.946 0.689 CB 1.473 75 residues pruned to eliminate duplicates Z: 99 68.334 2.285 0.659 0.635 0.929 0.653 CB 1.727 99 residues pruned to eliminate duplicates Z: 29 28.184 2.242 0.504 0.584 0.893 0.786 CB 1.633 29 residues pruned to eliminate duplicates Z: 11 27.457 2.251 0.717 0.857 0.900 0.500 C 1.841 11 residues pruned to eliminate duplicates Z: 14 19.118 1.908 0.646 0.868 0.846 0.692 C 1.459 14 residues pruned to eliminate duplicates Z: 75 58.152 2.343 0.689 0.574 0.946 0.743 CB 1.681 75 residues pruned to eliminate duplicates Z: 11 15.636 2.088 0.262 0.913 1.000 0.900 CB 1.328 11 residues pruned to eliminate duplicates Z: 18 41.836 2.457 0.467 0.925 1.000 0.824 CB 1.974 18 residues pruned to eliminate duplicates Z: 11 21.126 1.930 0.664 0.884 1.000 0.800 CB 1.503 11 residues pruned to eliminate duplicates Z: 39 40.066 2.235 0.843 0.607 0.895 0.789 CB 1.593 36 residues pruned to eliminate duplicates Z: 14 26.152 2.022 0.602 0.940 1.000 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 34.471 2.188 1.036 0.829 1.000 0.769 CB 1.614 14 residues pruned to eliminate duplicates Z: 13 28.072 2.093 0.703 0.919 1.000 0.833 CB 1.602 13 residues pruned to eliminate duplicates Z: 8 13.381 2.277 0.057 0.897 1.000 1.000 CB 1.504 8 residues pruned to eliminate duplicates Z: 9 11.831 1.991 0.272 0.903 1.000 0.875 CB 1.177 9 residues pruned to eliminate duplicates Z: 14 46.945 2.451 0.800 0.936 1.000 0.923 CB 2.055 14 residues pruned to eliminate duplicates Z: 50 31.321 2.255 0.689 0.405 0.898 0.571 CB 1.446 50 residues pruned to eliminate duplicates Z: 14 34.783 2.403 0.404 0.937 1.000 1.000 CB 1.990 14 residues pruned to eliminate duplicates Z: 18 19.188 2.151 0.305 0.597 0.941 0.824 CB 1.607 18 residues pruned to eliminate duplicates Z: 16 24.361 2.259 0.525 0.707 0.933 0.667 CB 1.620 16 residues pruned to eliminate duplicates Z: 12 12.401 1.966 0.423 0.661 0.818 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 10 18.359 2.091 0.462 0.771 1.000 0.556 CA 1.575 10 residues pruned to eliminate duplicates Z: 9 13.066 2.004 0.259 0.882 1.000 0.875 CB 1.325 9 residues pruned to eliminate duplicates Z: 39 40.473 2.243 0.608 0.617 1.000 0.632 CB 1.630 39 residues pruned to eliminate duplicates Z: 18 15.656 1.989 0.595 0.390 0.941 0.647 CB 1.429 18 residues pruned to eliminate duplicates Z: 65 56.621 2.319 0.801 0.551 0.969 0.625 CB 1.664 65 residues pruned to eliminate duplicates Z: 14 26.178 1.981 0.646 0.885 1.000 0.846 C 1.608 13 residues pruned to eliminate duplicates Z: 99 69.568 2.269 0.769 0.657 0.939 0.694 CB 1.612 98 residues pruned to eliminate duplicates Z: 82 67.838 2.321 0.773 0.660 0.889 0.580 CB 1.776 82 residues pruned to eliminate duplicates Z: 11 42.222 2.451 1.073 0.858 1.000 0.900 CB 1.935 11 residues pruned to eliminate duplicates Z: 21 17.167 2.086 0.648 0.473 0.800 0.600 CB 1.435 21 residues pruned to eliminate duplicates Z: 7 15.790 2.465 0.040 0.872 1.000 0.833 CB 1.832 7 residues pruned to eliminate duplicates Z: 14 6.366 1.924 0.302 0.350 0.692 0.538 CB 1.198 15 residues pruned to eliminate duplicates Z: 28 30.246 2.240 0.446 0.645 0.963 0.778 CB 1.630 28 residues pruned to eliminate duplicates Z: 44 23.030 2.141 0.586 0.402 0.814 0.465 CB 1.409 44 residues pruned to eliminate duplicates Z: 18 14.657 1.987 0.204 0.589 1.000 0.941 CB 1.365 18 residues pruned to eliminate duplicates Z: 13 19.560 2.040 0.467 0.901 0.917 0.917 CB 1.469 13 residues pruned to eliminate duplicates Z: 12 29.112 2.261 0.599 0.946 1.000 1.000 CB 1.679 12 residues pruned to eliminate duplicates Z: 22 22.503 2.121 0.462 0.519 0.952 0.619 CB 1.632 22 residues pruned to eliminate duplicates Z: 49 52.574 2.354 0.784 0.576 0.958 0.604 CB 1.752 46 residues pruned to eliminate duplicates Z: 46 42.601 2.264 0.559 0.607 1.000 0.733 CB 1.626 46 residues pruned to eliminate duplicates Z: 18 36.743 2.359 0.734 0.861 0.941 0.765 CB 1.701 18 residues pruned to eliminate duplicates Z: 21 32.243 2.109 0.741 0.815 0.850 0.700 CB 1.757 21 residues pruned to eliminate duplicates Z: 13 15.682 1.967 0.142 0.907 1.000 0.917 CB 1.432 13 residues pruned to eliminate duplicates Z: 13 32.088 2.290 0.574 0.919 1.000 1.000 CB 1.811 13 residues pruned to eliminate duplicates Z: 18 50.183 2.293 1.026 0.900 1.000 0.706 CA 1.872 18 residues pruned to eliminate duplicates Z: 56 43.948 2.258 0.677 0.592 0.927 0.727 CB 1.546 56 residues pruned to eliminate duplicates Z: 77 46.987 2.195 0.577 0.620 0.908 0.658 CB 1.531 77 residues pruned to eliminate duplicates Z: 110 76.302 2.337 0.731 0.646 0.917 0.670 CB 1.719 110 residues pruned to eliminate duplicates Z: 41 51.539 2.263 1.008 0.627 0.950 0.625 CB 1.675 41 residues pruned to eliminate duplicates Z: 9 12.708 2.026 0.334 0.863 1.000 0.625 CB 1.220 9 residues pruned to eliminate duplicates Z: 39 47.671 2.213 0.977 0.594 0.947 0.553 CB 1.705 39 residues pruned to eliminate duplicates Z: 14 22.163 2.064 0.396 0.858 1.000 0.769 CB 1.571 14 residues pruned to eliminate duplicates Z: 12 17.479 1.907 0.458 0.787 1.000 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 60 53.026 2.356 0.724 0.575 0.949 0.661 CB 1.666 60 residues pruned to eliminate duplicates Z: 10 16.331 2.036 0.310 0.842 1.000 0.889 CA 1.521 10 residues pruned to eliminate duplicates Z: 30 32.899 2.172 0.848 0.612 0.862 0.655 CB 1.588 30 residues pruned to eliminate duplicates Z: 43 22.813 2.101 0.505 0.446 0.905 0.571 CB 1.302 43 residues pruned to eliminate duplicates Z: 39 52.463 2.309 0.834 0.652 0.974 0.658 CB 1.793 39 residues pruned to eliminate duplicates Z: 26 50.618 2.311 1.071 0.733 0.960 0.720 CB 1.788 27 residues pruned to eliminate duplicates Z: 35 39.933 2.244 0.764 0.622 0.912 0.676 CB 1.691 35 residues pruned to eliminate duplicates Z: 11 14.794 1.951 0.568 0.491 0.900 0.600 CB 1.715 11 residues pruned to eliminate duplicates Z: 14 28.200 2.236 0.828 0.705 0.923 0.769 CA 1.720 13 residues pruned to eliminate duplicates Z: 16 29.336 2.025 0.590 0.879 1.000 0.667 C 1.706 16 residues pruned to eliminate duplicates Z: 12 48.195 2.434 1.102 0.936 1.000 0.636 C 1.978 12 residues pruned to eliminate duplicates Z: 37 18.840 2.005 0.288 0.577 0.917 0.694 CB 1.231 37 residues pruned to eliminate duplicates Z: 93 55.652 2.273 0.542 0.560 0.924 0.598 CB 1.690 94 residues pruned to eliminate duplicates Z: 10 16.132 2.014 0.764 0.734 0.778 0.556 CB 1.577 10 residues pruned to eliminate duplicates Z: 19 17.893 2.082 0.826 0.409 0.889 0.556 CB 1.373 19 residues pruned to eliminate duplicates Z: 12 30.055 2.283 0.606 0.925 1.000 0.909 CB 1.735 12 residues pruned to eliminate duplicates Z: 10 16.604 2.025 0.285 0.873 1.000 0.778 CA 1.549 10 residues pruned to eliminate duplicates Z: 8 17.195 2.254 0.676 0.591 1.000 0.571 C 1.576 8 residues pruned to eliminate duplicates Z: 56 41.613 2.212 0.572 0.594 0.964 0.691 CB 1.530 56 residues pruned to eliminate duplicates Z: 9 26.070 2.168 0.799 0.801 1.000 0.750 CB 1.816 9 residues pruned to eliminate duplicates Z: 118 81.296 2.363 0.829 0.557 0.957 0.650 CB 1.719 119 residues pruned to eliminate duplicates Z: 36 28.631 2.173 0.792 0.390 0.886 0.571 CB 1.576 36 residues pruned to eliminate duplicates Z: 18 22.692 2.159 0.585 0.646 0.824 0.706 CB 1.704 18 residues pruned to eliminate duplicates Z: 21 9.292 1.717 0.581 0.380 0.850 0.550 CB 1.024 15 residues pruned to eliminate duplicates Z: 39 39.108 2.259 0.875 0.544 0.895 0.658 CB 1.604 39 residues pruned to eliminate duplicates Z: 20 32.261 2.193 0.653 0.740 0.947 0.526 CB 1.738 20 residues pruned to eliminate duplicates Z: 7 2.972 1.576 0.070 0.393 0.833 0.833 C 0.967 7 residues pruned to eliminate duplicates Z: 39 47.127 2.342 0.822 0.602 0.921 0.737 CB 1.766 40 residues pruned to eliminate duplicates Z: 7 4.712 1.429 0.776 0.369 1.000 0.500 C 0.872 7 residues pruned to eliminate duplicates Z: 53 55.756 2.418 0.772 0.569 0.962 0.692 CB 1.756 53 residues pruned to eliminate duplicates Z: 63 56.095 2.290 0.738 0.632 0.903 0.694 CB 1.751 63 residues pruned to eliminate duplicates Z: 10 20.733 2.151 0.670 0.870 0.889 0.667 CB 1.580 10 residues pruned to eliminate duplicates Z: 20 37.948 2.352 0.951 0.689 0.947 0.737 CB 1.684 20 residues pruned to eliminate duplicates Z: 9 30.716 2.306 1.305 0.662 1.000 0.875 CB 1.759 9 residues pruned to eliminate duplicates Z: 15 38.213 2.185 0.955 0.896 1.000 0.786 C 1.713 15 residues pruned to eliminate duplicates Z: 18 19.669 2.147 0.422 0.620 0.941 0.882 CB 1.483 18 residues pruned to eliminate duplicates Z: 104 72.027 2.335 0.735 0.597 0.913 0.612 CB 1.749 104 residues pruned to eliminate duplicates Z: 17 21.013 2.016 0.358 0.732 1.000 0.875 CB 1.557 17 residues pruned to eliminate duplicates Z: 14 13.595 2.099 0.331 0.501 1.000 0.538 CB 1.348 14 residues pruned to eliminate duplicates Z: 10 15.817 1.799 0.611 0.921 1.000 1.000 CB 1.280 10 residues pruned to eliminate duplicates Z: 15 17.207 1.902 0.467 0.618 1.000 0.571 CA 1.474 15 residues pruned to eliminate duplicates Z: 22 27.368 2.048 0.867 0.561 0.857 0.619 CB 1.718 22 residues pruned to eliminate duplicates Z: 64 56.881 2.308 0.665 0.622 0.937 0.444 CB 1.776 64 residues pruned to eliminate duplicates Z: 13 18.500 2.064 0.201 0.931 1.000 1.000 CA 1.506 13 residues pruned to eliminate duplicates Z: 15 56.685 2.308 1.429 0.947 1.000 0.857 CA 1.867 15 residues pruned to eliminate duplicates Z: 43 41.493 2.303 0.898 0.482 0.905 0.619 CB 1.647 43 residues pruned to eliminate duplicates Z: 19 36.032 2.421 0.960 0.637 0.944 0.722 CB 1.666 19 residues pruned to eliminate duplicates Z: 6 2.765 1.436 0.262 0.492 0.800 0.600 N 0.860 Z: 28 19.457 2.056 0.607 0.479 0.889 0.704 CB 1.303 28 residues pruned to eliminate duplicates Z: 11 11.811 1.790 0.271 0.805 0.900 0.800 CB 1.397 11 residues pruned to eliminate duplicates Z: 12 17.042 2.087 0.187 0.924 1.000 1.000 CB 1.457 12 residues pruned to eliminate duplicates Z: 90 60.574 2.327 0.543 0.634 0.933 0.685 CB 1.692 90 residues pruned to eliminate duplicates Z: 18 13.704 1.988 0.159 0.607 0.882 0.765 CB 1.477 18 residues pruned to eliminate duplicates Z: 13 6.671 1.877 0.339 0.361 0.667 0.333 CB 1.335 13 residues pruned to eliminate duplicates Z: 89 63.532 2.254 0.794 0.637 0.920 0.705 CB 1.600 89 residues pruned to eliminate duplicates Z: 11 13.212 2.196 0.418 0.419 0.800 0.400 CA 1.825 11 residues pruned to eliminate duplicates Z: 49 49.856 2.232 0.847 0.638 0.917 0.667 CB 1.673 49 residues pruned to eliminate duplicates Z: 11 8.068 1.979 0.459 0.232 0.800 0.500 CB 1.508 17 residues pruned to eliminate duplicates Z: 11 11.368 1.847 0.470 0.545 0.900 0.900 C 1.408 11 residues pruned to eliminate duplicates Z: 22 35.956 2.209 0.676 0.819 0.905 0.714 CA 1.776 22 residues pruned to eliminate duplicates Z: 8 3.401 1.800 0.378 0.379 0.714 0.714 CB 0.826 8 residues pruned to eliminate duplicates Z: 10 14.759 2.071 0.101 0.841 1.000 0.889 CA 1.609 10 residues pruned to eliminate duplicates Z: 18 33.471 2.083 0.724 0.827 1.000 0.882 CB 1.703 18 residues pruned to eliminate duplicates 7 1.432 1.328 0.162 0.249 0.667 0.500 CB 0.758 ? Z: 69 58.516 2.309 0.669 0.627 0.941 0.662 CB 1.736 69 residues pruned to eliminate duplicates Z: 10 7.038 1.605 0.268 0.645 1.000 0.556 CB 1.007 10 residues pruned to eliminate duplicates Z: 8 6.863 1.655 0.128 0.735 1.000 0.714 CB 1.125 8 residues pruned to eliminate duplicates Z: 7 16.296 1.965 0.600 0.849 1.000 1.000 CA 1.569 7 residues pruned to eliminate duplicates Z: 64 51.394 2.289 0.694 0.634 0.873 0.683 CB 1.686 64 residues pruned to eliminate duplicates Z: 11 22.974 2.106 0.730 0.730 1.000 0.800 CA 1.621 11 residues pruned to eliminate duplicates Z: 13 7.519 1.710 0.524 0.288 0.833 0.250 CB 1.268 13 residues pruned to eliminate duplicates Z: 16 47.919 2.453 0.844 0.918 1.000 0.867 CB 1.928 16 residues pruned to eliminate duplicates Z: 18 46.374 2.267 0.990 0.899 1.000 0.824 CA 1.782 18 residues pruned to eliminate duplicates Z: 20 44.634 2.225 0.830 0.884 1.000 0.789 CB 1.818 20 residues pruned to eliminate duplicates Z: 40 36.930 2.219 0.613 0.687 0.949 0.718 CB 1.468 41 residues pruned to eliminate duplicates Z: 13 19.638 2.195 0.595 0.554 0.917 0.583 CA 1.676 10 residues pruned to eliminate duplicates Z: 14 24.046 1.946 0.652 0.895 1.000 0.846 CB 1.486 14 residues pruned to eliminate duplicates Z: 77 51.651 2.236 0.645 0.600 0.934 0.684 CB 1.566 77 residues pruned to eliminate duplicates Z: 21 40.800 2.226 0.741 0.876 0.950 0.800 CA 1.801 21 residues pruned to eliminate duplicates Z: 8 19.530 2.112 0.916 0.720 0.857 0.571 CA 1.745 8 residues pruned to eliminate duplicates Z: 32 33.694 2.327 0.633 0.499 0.935 0.645 CB 1.704 32 residues pruned to eliminate duplicates Z: 49 49.487 2.274 0.815 0.550 0.958 0.604 CB 1.721 49 residues pruned to eliminate duplicates Z: 26 29.681 2.138 0.711 0.620 0.960 0.720 CB 1.509 26 residues pruned to eliminate duplicates Z: 61 62.192 2.362 0.689 0.654 0.933 0.633 CB 1.868 61 residues pruned to eliminate duplicates Z: 50 31.320 2.116 0.733 0.452 0.837 0.571 CB 1.532 50 residues pruned to eliminate duplicates Z: 54 44.869 2.231 0.596 0.615 0.943 0.660 CB 1.646 54 residues pruned to eliminate duplicates Z: 16 40.979 2.125 1.268 0.868 0.933 0.467 CA 1.721 16 residues pruned to eliminate duplicates Z: 6 8.194 1.811 0.285 0.768 1.000 1.000 CA 1.242 6 residues pruned to eliminate duplicates Z: 44 54.965 2.324 0.852 0.626 0.953 0.605 CB 1.813 43 residues pruned to eliminate duplicates Z: 29 29.204 2.219 0.556 0.574 0.964 0.643 CB 1.543 29 residues pruned to eliminate duplicates Z: 24 19.429 2.036 0.330 0.542 0.957 0.609 CB 1.502 71 residues pruned to eliminate duplicates Z: 6 2.579 1.448 0.574 0.256 0.800 0.200 N 0.837 6 residues pruned to eliminate duplicates Z: 40 40.764 2.265 0.810 0.565 0.897 0.615 CB 1.667 40 residues pruned to eliminate duplicates Z: 8 18.098 2.243 0.820 0.711 0.857 0.571 CA 1.615 8 residues pruned to eliminate duplicates Z: 108 73.090 2.336 0.679 0.643 0.907 0.682 CB 1.739 108 residues pruned to eliminate duplicates Z: 15 10.508 2.048 0.509 0.463 0.786 0.571 CB 1.202 16 residues pruned to eliminate duplicates Z: 25 19.974 2.154 0.527 0.542 0.875 0.542 CB 1.360 25 residues pruned to eliminate duplicates Z: 12 13.497 2.202 0.859 0.334 0.818 0.727 CB 1.457 12 residues pruned to eliminate duplicates Z: 14 14.132 1.901 0.152 0.874 1.000 0.923 CB 1.303 14 residues pruned to eliminate duplicates Z: 49 51.266 2.353 0.646 0.636 0.917 0.646 CB 1.834 49 residues pruned to eliminate duplicates Z: 12 14.251 2.112 0.186 0.736 1.000 0.909 CB 1.388 12 residues pruned to eliminate duplicates Z: 31 35.323 2.315 0.612 0.555 1.000 0.700 CB 1.639 31 residues pruned to eliminate duplicates Z: 13 18.060 2.020 0.214 0.913 1.000 1.000 CB 1.504 13 residues pruned to eliminate duplicates Z: 41 38.343 2.217 0.791 0.556 0.925 0.650 CB 1.563 41 residues pruned to eliminate duplicates Z: 16 14.255 1.994 0.699 0.526 0.933 0.667 CB 1.135 14 residues pruned to eliminate duplicates Z: 23 32.204 2.157 0.759 0.710 0.955 0.818 CB 1.568 23 residues pruned to eliminate duplicates Z: 13 12.935 1.973 0.179 0.695 0.917 0.833 CA 1.465 13 residues pruned to eliminate duplicates Z: 10 15.948 2.143 0.844 0.439 0.889 0.889 CA 1.611 10 residues pruned to eliminate duplicates Z: 37 44.202 2.325 0.517 0.658 0.972 0.500 CB 1.854 37 residues pruned to eliminate duplicates Z: 8 4.034 1.600 0.303 0.492 0.857 0.571 CB 0.860 8 residues pruned to eliminate duplicates Z: 9 11.743 1.970 0.315 0.824 0.875 0.875 CB 1.384 9 residues pruned to eliminate duplicates Z: 19 9.506 1.904 0.113 0.559 0.889 0.833 CB 1.124 19 residues pruned to eliminate duplicates Z: 196 92.884 2.300 0.728 0.571 0.938 0.651 CB 1.665 196 residues pruned to eliminate duplicates Z: 60 59.067 2.300 0.813 0.648 0.949 0.695 CB 1.692 60 residues pruned to eliminate duplicates Z: 20 13.861 1.819 0.479 0.372 1.000 0.632 CB 1.355 20 residues pruned to eliminate duplicates Z: 7 7.067 1.730 0.732 0.498 0.833 0.500 C 1.157 7 residues pruned to eliminate duplicates Z: 11 20.679 2.171 0.668 0.832 0.900 0.600 CA 1.507 12 residues pruned to eliminate duplicates Z: 8 12.159 1.887 0.409 0.906 1.000 0.429 CB 1.230 8 residues pruned to eliminate duplicates Z: 18 17.828 2.150 0.797 0.382 0.882 0.647 CB 1.438 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 34.593 2.175 0.631 0.895 1.000 0.867 C 1.804 16 residues pruned to eliminate duplicates Z: 16 40.196 2.191 1.239 0.804 1.000 0.733 C 1.623 16 residues pruned to eliminate duplicates Z: 99 72.925 2.326 0.647 0.653 0.929 0.663 CB 1.797 99 residues pruned to eliminate duplicates Z: 99 66.323 2.317 0.594 0.642 0.908 0.653 CB 1.749 99 residues pruned to eliminate duplicates Z: 101 73.330 2.337 0.665 0.660 0.920 0.660 CB 1.766 101 residues pruned to eliminate duplicates Z: 26 50.083 2.321 0.840 0.769 0.960 0.640 CB 1.925 26 residues pruned to eliminate duplicates Z: 98 76.391 2.351 0.696 0.654 0.948 0.711 CB 1.776 98 residues pruned to eliminate duplicates Z: 112 76.182 2.324 0.707 0.615 0.946 0.649 CB 1.728 112 residues pruned to eliminate duplicates Z: 66 60.950 2.251 0.991 0.582 0.877 0.585 CB 1.778 28 residues pruned to eliminate duplicates Z: 15 48.717 2.270 1.295 0.886 1.000 0.714 C 1.804 15 residues pruned to eliminate duplicates Z: 100 69.845 2.347 0.566 0.643 0.939 0.687 CB 1.780 100 residues pruned to eliminate duplicates Z: 105 76.308 2.326 0.718 0.625 0.942 0.615 CB 1.766 105 residues pruned to eliminate duplicates Z: 101 71.519 2.299 0.666 0.604 0.940 0.600 CB 1.800 101 residues pruned to eliminate duplicates Z: 66 61.153 2.352 0.693 0.623 0.938 0.569 CB 1.809 66 residues pruned to eliminate duplicates Z: 99 81.318 2.332 0.817 0.671 0.939 0.673 CB 1.764 99 residues pruned to eliminate duplicates Z: 49 48.295 2.361 0.547 0.580 0.979 0.562 CB 1.804 49 residues pruned to eliminate duplicates Z: 99 73.064 2.327 0.688 0.648 0.929 0.592 CB 1.762 99 residues pruned to eliminate duplicates Z: 99 70.073 2.298 0.653 0.636 0.939 0.663 CB 1.748 99 residues pruned to eliminate duplicates Z: 27 45.779 2.269 1.031 0.724 0.885 0.654 C 1.800 27 residues pruned to eliminate duplicates Z: 115 74.794 2.319 0.677 0.619 0.939 0.702 CB 1.715 115 residues pruned to eliminate duplicates Z: 92 57.815 2.295 0.572 0.583 0.901 0.615 CB 1.720 92 residues pruned to eliminate duplicates Z: 65 62.355 2.354 0.675 0.617 0.953 0.531 CB 1.856 65 residues pruned to eliminate duplicates Z: 99 75.991 2.334 0.746 0.643 0.929 0.612 CB 1.776 99 residues pruned to eliminate duplicates Z: 99 76.237 2.345 0.706 0.655 0.949 0.653 CB 1.756 99 residues pruned to eliminate duplicates Z: 65 55.412 2.227 0.765 0.600 0.891 0.578 CB 1.798 65 residues pruned to eliminate duplicates Z: 51 44.153 2.323 0.526 0.564 0.920 0.520 CB 1.799 51 residues pruned to eliminate duplicates Z: 96 71.158 2.286 0.731 0.643 0.947 0.621 CB 1.704 96 residues pruned to eliminate duplicates Z: 50 43.029 2.328 0.540 0.541 0.918 0.531 CB 1.794 50 residues pruned to eliminate duplicates Z: 52 42.270 2.317 0.466 0.576 0.922 0.510 CB 1.757 52 residues pruned to eliminate duplicates Z: 88 60.903 2.299 0.591 0.629 0.931 0.609 CB 1.698 88 residues pruned to eliminate duplicates Z: 92 53.812 2.264 0.597 0.549 0.890 0.560 CB 1.671 92 residues pruned to eliminate duplicates Z: 99 79.818 2.327 0.751 0.676 0.959 0.592 CB 1.755 99 residues pruned to eliminate duplicates Z: 115 73.134 2.288 0.686 0.610 0.939 0.667 CB 1.704 115 residues pruned to eliminate duplicates Z: 87 76.594 2.365 0.742 0.648 0.953 0.628 CB 1.832 87 residues pruned to eliminate duplicates Z: 98 68.697 2.286 0.650 0.645 0.928 0.649 CB 1.741 98 residues pruned to eliminate duplicates Z: 40 42.551 2.348 0.550 0.598 0.949 0.538 CB 1.797 40 residues pruned to eliminate duplicates Z: 64 64.062 2.371 0.758 0.640 0.921 0.619 CB 1.844 64 residues pruned to eliminate duplicates Z: 100 71.119 2.323 0.651 0.654 0.919 0.677 CB 1.757 100 residues pruned to eliminate duplicates Z: 97 75.501 2.306 0.715 0.660 0.958 0.625 CB 1.753 97 residues pruned to eliminate duplicates Z: 61 57.063 2.301 0.683 0.616 0.933 0.583 CB 1.826 61 residues pruned to eliminate duplicates Z: 98 70.903 2.300 0.665 0.644 0.948 0.629 CB 1.733 98 residues pruned to eliminate duplicates Z: 62 52.178 2.327 0.714 0.583 0.869 0.557 CB 1.780 62 residues pruned to eliminate duplicates Z: 107 74.256 2.313 0.705 0.626 0.934 0.642 CB 1.739 107 residues pruned to eliminate duplicates Z: 84 53.218 2.278 0.548 0.584 0.904 0.602 CB 1.691 84 residues pruned to eliminate duplicates Z: 117 74.362 2.303 0.697 0.604 0.931 0.647 CB 1.718 117 residues pruned to eliminate duplicates Z: 100 70.618 2.336 0.674 0.654 0.899 0.636 CB 1.749 100 residues pruned to eliminate duplicates Z: 101 74.867 2.346 0.702 0.659 0.910 0.660 CB 1.779 101 residues pruned to eliminate duplicates Z: 101 75.896 2.359 0.669 0.665 0.930 0.670 CB 1.780 101 residues pruned to eliminate duplicates Z: 99 74.651 2.338 0.710 0.663 0.918 0.684 CB 1.766 99 residues pruned to eliminate duplicates Z: 118 72.248 2.304 0.716 0.609 0.915 0.607 CB 1.666 118 residues pruned to eliminate duplicates Z: 71 45.993 2.178 0.590 0.536 0.943 0.557 CB 1.625 71 residues pruned to eliminate duplicates Z: 12 19.987 2.178 0.416 0.706 0.909 0.545 CA 1.782 12 residues pruned to eliminate duplicates Z: 108 74.833 2.332 0.694 0.633 0.916 0.626 CB 1.765 108 residues pruned to eliminate duplicates Z: 50 45.072 2.385 0.462 0.597 0.918 0.673 CB 1.833 50 residues pruned to eliminate duplicates Z: 99 76.561 2.342 0.734 0.659 0.929 0.735 CB 1.770 99 residues pruned to eliminate duplicates Z: 84 60.988 2.307 0.653 0.608 0.904 0.602 CB 1.754 84 residues pruned to eliminate duplicates Z: 106 70.733 2.286 0.723 0.597 0.933 0.638 CB 1.711 106 residues pruned to eliminate duplicates Z: 86 54.540 2.290 0.558 0.592 0.918 0.576 CB 1.654 86 residues pruned to eliminate duplicates Z: 51 44.687 2.313 0.529 0.579 0.940 0.600 CB 1.763 51 residues pruned to eliminate duplicates Z: 92 65.323 2.327 0.643 0.616 0.934 0.670 CB 1.717 92 residues pruned to eliminate duplicates Z: 104 61.086 2.254 0.599 0.585 0.942 0.621 CB 1.635 104 residues pruned to eliminate duplicates Z: 96 59.058 2.287 0.561 0.590 0.937 0.653 CB 1.662 96 residues pruned to eliminate duplicates Z: 42 45.301 2.310 0.728 0.657 0.927 0.732 CB 1.654 42 residues pruned to eliminate duplicates Z: 110 76.151 2.309 0.715 0.623 0.936 0.697 CB 1.753 110 residues pruned to eliminate duplicates Z: 86 61.370 2.337 0.538 0.641 0.941 0.659 CB 1.725 86 residues pruned to eliminate duplicates Z: 112 75.908 2.324 0.737 0.625 0.937 0.667 CB 1.694 112 residues pruned to eliminate duplicates Z: 81 71.469 2.357 0.792 0.624 0.925 0.600 CB 1.819 81 residues pruned to eliminate duplicates Z: 118 73.436 2.298 0.706 0.606 0.940 0.624 CB 1.665 118 residues pruned to eliminate duplicates Z: 133 72.820 2.262 0.708 0.589 0.909 0.621 CB 1.658 133 residues pruned to eliminate duplicates Z: 85 65.459 2.283 0.708 0.657 0.940 0.679 CB 1.682 85 residues pruned to eliminate duplicates Z: 110 77.258 2.310 0.743 0.631 0.936 0.615 CB 1.736 110 residues pruned to eliminate duplicates Z: 40 42.887 2.284 0.792 0.710 0.897 0.769 CB 1.545 40 residues pruned to eliminate duplicates Z: 100 78.024 2.331 0.753 0.661 0.939 0.667 CB 1.759 100 residues pruned to eliminate duplicates Z: 99 63.715 2.292 0.672 0.591 0.918 0.704 CB 1.677 99 residues pruned to eliminate duplicates Z: 37 36.015 2.186 0.792 0.605 0.917 0.583 CB 1.514 37 residues pruned to eliminate duplicates Z: 100 77.946 2.328 0.740 0.662 0.929 0.677 CB 1.791 100 residues pruned to eliminate duplicates Z: 115 77.690 2.327 0.751 0.618 0.939 0.684 CB 1.702 115 residues pruned to eliminate duplicates Z: 100 76.930 2.333 0.742 0.662 0.919 0.667 CB 1.781 100 residues pruned to eliminate duplicates Z: 115 66.622 2.254 0.703 0.573 0.930 0.588 CB 1.629 115 residues pruned to eliminate duplicates Z: 100 76.938 2.358 0.723 0.658 0.919 0.657 CB 1.788 100 residues pruned to eliminate duplicates Z: 40 41.731 2.245 0.765 0.672 0.897 0.744 CB 1.603 40 residues pruned to eliminate duplicates Z: 99 75.674 2.331 0.701 0.660 0.929 0.684 CB 1.789 99 residues pruned to eliminate duplicates Z: 44 37.957 2.239 0.617 0.609 0.907 0.651 CB 1.590 44 residues pruned to eliminate duplicates Z: 24 26.385 2.170 0.371 0.662 1.000 0.696 CB 1.592 24 residues pruned to eliminate duplicates Z: 35 38.729 2.226 0.678 0.689 0.912 0.706 CB 1.640 35 residues pruned to eliminate duplicates Z: 101 74.355 2.326 0.735 0.648 0.910 0.720 CB 1.763 101 residues pruned to eliminate duplicates Z: 97 79.085 2.352 0.721 0.669 0.948 0.688 CB 1.799 97 residues pruned to eliminate duplicates Z: 109 69.673 2.298 0.696 0.593 0.944 0.667 CB 1.665 109 residues pruned to eliminate duplicates Z: 115 72.143 2.316 0.686 0.609 0.921 0.649 CB 1.693 115 residues pruned to eliminate duplicates Z: 102 59.459 2.289 0.535 0.592 0.941 0.653 CB 1.640 102 residues pruned to eliminate duplicates Z: 112 73.672 2.329 0.684 0.626 0.937 0.658 CB 1.691 112 residues pruned to eliminate duplicates Z: 110 79.857 2.354 0.732 0.635 0.936 0.642 CB 1.766 110 residues pruned to eliminate duplicates Z: 26 23.445 2.115 0.445 0.648 0.920 0.680 CB 1.453 26 residues pruned to eliminate duplicates Z: 44 37.604 2.242 0.559 0.636 0.907 0.744 CB 1.593 44 residues pruned to eliminate duplicates Z: 101 75.423 2.342 0.684 0.664 0.940 0.650 CB 1.748 101 residues pruned to eliminate duplicates Z: 108 77.245 2.325 0.727 0.635 0.935 0.673 CB 1.752 108 residues pruned to eliminate duplicates Z: 37 28.692 2.178 0.538 0.520 0.972 0.639 CB 1.439 37 residues pruned to eliminate duplicates Z: 51 40.055 2.243 0.634 0.574 0.920 0.700 CB 1.563 51 residues pruned to eliminate duplicates Z: 94 63.869 2.352 0.608 0.612 0.925 0.710 CB 1.703 94 residues pruned to eliminate duplicates Z: 93 65.710 2.350 0.642 0.613 0.935 0.663 CB 1.707 93 residues pruned to eliminate duplicates Z: 14 10.888 1.966 0.482 0.317 1.000 0.538 CB 1.269 14 residues pruned to eliminate duplicates Z: 11 8.884 2.067 0.519 0.315 0.900 0.600 CB 1.219 11 residues pruned to eliminate duplicates Z: 111 75.773 2.339 0.728 0.631 0.927 0.673 CB 1.704 111 residues pruned to eliminate duplicates Z: 95 60.340 2.329 0.607 0.593 0.894 0.617 CB 1.702 95 residues pruned to eliminate duplicates Z: 42 29.250 2.166 0.526 0.506 0.951 0.659 CB 1.444 42 residues pruned to eliminate duplicates Z: 102 64.392 2.295 0.641 0.587 0.960 0.644 CB 1.629 102 residues pruned to eliminate duplicates Z: 13 10.722 2.118 0.402 0.317 1.000 0.333 CB 1.276 13 residues pruned to eliminate duplicates Z: 117 63.590 2.262 0.598 0.571 0.940 0.621 CB 1.623 117 residues pruned to eliminate duplicates Z: 104 60.351 2.290 0.567 0.573 0.922 0.641 CB 1.674 104 residues pruned to eliminate duplicates Z: 26 18.840 2.172 0.317 0.454 1.000 0.560 CB 1.381 26 residues pruned to eliminate duplicates Z: 115 69.972 2.303 0.708 0.599 0.886 0.596 CB 1.711 115 residues pruned to eliminate duplicates Z: 117 73.862 2.310 0.699 0.616 0.931 0.612 CB 1.681 117 residues pruned to eliminate duplicates Z: 17 14.855 2.187 0.731 0.335 0.875 0.500 CB 1.342 17 residues pruned to eliminate duplicates Z: 28 39.047 2.365 0.793 0.641 0.889 0.704 CB 1.747 28 residues pruned to eliminate duplicates Z: 29 38.433 2.378 0.783 0.634 0.857 0.821 CB 1.763 29 residues pruned to eliminate duplicates Z: 99 61.440 2.267 0.620 0.638 0.918 0.633 CB 1.616 99 residues pruned to eliminate duplicates Z: 77 55.710 2.271 0.688 0.630 0.882 0.632 CB 1.673 77 residues pruned to eliminate duplicates Z: 24 57.837 2.446 1.006 0.814 0.957 0.826 CB 1.955 24 residues pruned to eliminate duplicates Z: 76 58.610 2.289 0.625 0.656 0.933 0.667 CB 1.687 76 residues pruned to eliminate duplicates Z: 17 42.302 2.360 1.164 0.764 0.875 0.812 CA 1.873 17 residues pruned to eliminate duplicates Z: 68 53.919 2.291 0.670 0.591 0.940 0.657 CB 1.678 68 residues pruned to eliminate duplicates Z: 40 46.887 2.317 0.882 0.586 0.923 0.538 CB 1.717 40 residues pruned to eliminate duplicates Z: 27 44.137 2.291 1.015 0.727 0.846 0.615 CA 1.805 27 residues pruned to eliminate duplicates Z: 26 46.376 2.399 1.067 0.697 0.880 0.680 CB 1.776 26 residues pruned to eliminate duplicates Z: 40 45.280 2.328 0.905 0.586 0.872 0.667 CB 1.726 40 residues pruned to eliminate duplicates Z: 31 44.554 2.305 1.033 0.613 0.900 0.667 CB 1.733 31 residues pruned to eliminate duplicates Z: 30 45.025 2.286 1.103 0.611 0.931 0.517 CB 1.681 30 residues pruned to eliminate duplicates Z: 98 63.374 2.232 0.693 0.622 0.938 0.577 CB 1.617 98 residues pruned to eliminate duplicates Z: 63 42.357 2.236 0.536 0.605 0.871 0.548 CB 1.627 63 residues pruned to eliminate duplicates Z: 68 49.075 2.278 0.661 0.570 0.881 0.612 CB 1.683 68 residues pruned to eliminate duplicates Z: 76 58.400 2.294 0.636 0.646 0.933 0.613 CB 1.679 76 residues pruned to eliminate duplicates Z: 66 51.580 2.264 0.699 0.602 0.892 0.585 CB 1.693 66 residues pruned to eliminate duplicates Z: 99 64.709 2.263 0.720 0.643 0.908 0.633 CB 1.617 99 residues pruned to eliminate duplicates Z: 98 65.698 2.281 0.691 0.654 0.918 0.660 CB 1.633 98 residues pruned to eliminate duplicates Z: 84 53.104 2.241 0.538 0.611 0.940 0.687 CB 1.620 84 residues pruned to eliminate duplicates Z: 41 43.437 2.272 0.825 0.574 0.900 0.625 CB 1.714 41 residues pruned to eliminate duplicates Z: 98 63.290 2.277 0.639 0.641 0.907 0.639 CB 1.664 98 residues pruned to eliminate duplicates Z: 62 57.621 2.307 0.711 0.615 0.934 0.705 CB 1.793 62 residues pruned to eliminate duplicates Z: 97 56.514 2.206 0.572 0.610 0.938 0.635 CB 1.598 97 residues pruned to eliminate duplicates Z: 63 45.821 2.216 0.577 0.600 0.919 0.597 CB 1.647 63 residues pruned to eliminate duplicates Z: 100 64.526 2.255 0.704 0.640 0.909 0.657 CB 1.630 100 residues pruned to eliminate duplicates Z: 74 47.909 2.222 0.486 0.636 0.945 0.658 CB 1.582 74 residues pruned to eliminate duplicates Z: 77 59.192 2.261 0.715 0.657 0.908 0.697 CB 1.668 77 residues pruned to eliminate duplicates Z: 59 55.046 2.290 0.621 0.669 0.948 0.638 CB 1.756 59 residues pruned to eliminate duplicates Z: 103 72.884 2.255 0.800 0.608 0.931 0.647 CB 1.722 64 residues pruned to eliminate duplicates Z: 6 7.930 1.818 0.507 0.400 1.000 0.800 CA 1.439 6 residues pruned to eliminate duplicates Z: 41 40.725 2.253 0.761 0.593 0.900 0.625 CB 1.650 41 residues pruned to eliminate duplicates Z: 69 48.914 2.235 0.553 0.658 0.926 0.706 CB 1.592 69 residues pruned to eliminate duplicates Z: 78 57.431 2.252 0.708 0.643 0.922 0.584 CB 1.615 78 residues pruned to eliminate duplicates Z: 40 46.561 2.312 0.834 0.619 0.923 0.667 CB 1.702 40 residues pruned to eliminate duplicates Z: 77 61.536 2.288 0.662 0.665 0.934 0.671 CB 1.704 77 residues pruned to eliminate duplicates Z: 59 59.313 2.274 0.805 0.668 0.931 0.690 CB 1.744 59 residues pruned to eliminate duplicates Z: 99 67.008 2.272 0.730 0.646 0.918 0.653 CB 1.636 99 residues pruned to eliminate duplicates Z: 63 51.910 2.176 0.800 0.594 0.919 0.645 CB 1.673 63 residues pruned to eliminate duplicates Z: 89 49.936 2.165 0.540 0.619 0.920 0.670 CB 1.550 89 residues pruned to eliminate duplicates Z: 98 69.516 2.282 0.707 0.669 0.948 0.660 CB 1.633 98 residues pruned to eliminate duplicates Z: 98 70.851 2.277 0.720 0.669 0.959 0.711 CB 1.640 98 residues pruned to eliminate duplicates Z: 71 52.102 2.220 0.660 0.661 0.943 0.643 CB 1.543 71 residues pruned to eliminate duplicates Z: 76 59.983 2.261 0.654 0.682 0.933 0.693 CB 1.680 76 residues pruned to eliminate duplicates Z: 94 66.680 2.264 0.679 0.687 0.935 0.667 CB 1.638 94 residues pruned to eliminate duplicates Z: 99 67.093 2.266 0.737 0.666 0.929 0.714 CB 1.590 99 residues pruned to eliminate duplicates Z: 63 58.691 2.311 0.724 0.629 0.935 0.645 CB 1.772 63 residues pruned to eliminate duplicates Z: 98 69.697 2.287 0.754 0.663 0.928 0.711 CB 1.635 98 residues pruned to eliminate duplicates Z: 34 30.474 2.247 0.384 0.622 0.909 0.576 CB 1.671 34 residues pruned to eliminate duplicates Z: 66 52.054 2.221 0.638 0.610 0.954 0.615 CB 1.676 66 residues pruned to eliminate duplicates Z: 70 51.329 2.214 0.590 0.665 0.957 0.667 CB 1.576 70 residues pruned to eliminate duplicates Z: 65 42.095 2.129 0.604 0.606 0.906 0.594 CB 1.538 65 residues pruned to eliminate duplicates Z: 76 57.645 2.271 0.669 0.660 0.933 0.693 CB 1.622 76 residues pruned to eliminate duplicates Z: 98 67.028 2.243 0.730 0.661 0.938 0.639 CB 1.610 98 residues pruned to eliminate duplicates Z: 85 51.180 2.169 0.597 0.619 0.917 0.679 CB 1.572 85 residues pruned to eliminate duplicates Z: 76 59.435 2.275 0.655 0.672 0.947 0.707 CB 1.643 76 residues pruned to eliminate duplicates Z: 78 57.580 2.235 0.716 0.643 0.935 0.727 CB 1.600 78 residues pruned to eliminate duplicates Z: 99 64.615 2.268 0.702 0.658 0.918 0.684 CB 1.590 99 residues pruned to eliminate duplicates Z: 101 68.284 2.259 0.718 0.647 0.950 0.710 CB 1.615 101 residues pruned to eliminate duplicates Z: 77 56.763 2.256 0.690 0.657 0.921 0.737 CB 1.602 77 residues pruned to eliminate duplicates Z: 98 66.299 2.275 0.756 0.655 0.918 0.670 CB 1.590 98 residues pruned to eliminate duplicates Z: 36 36.241 2.209 0.728 0.694 0.914 0.686 CB 1.471 36 residues pruned to eliminate duplicates Z: 80 55.000 2.212 0.639 0.657 0.949 0.747 CB 1.553 80 residues pruned to eliminate duplicates Z: 13 26.986 2.117 0.852 0.885 1.000 0.667 CB 1.434 13 residues pruned to eliminate duplicates Z: 69 50.672 2.250 0.625 0.686 0.912 0.735 CB 1.555 69 residues pruned to eliminate duplicates Z: 70 52.427 2.233 0.679 0.663 0.928 0.696 CB 1.561 70 residues pruned to eliminate duplicates Z: 71 49.847 2.212 0.623 0.654 0.914 0.729 CB 1.574 71 residues pruned to eliminate duplicates Z: 98 69.628 2.269 0.787 0.664 0.938 0.753 CB 1.596 98 residues pruned to eliminate duplicates Z: 86 55.382 2.223 0.604 0.629 0.953 0.624 CB 1.565 86 residues pruned to eliminate duplicates Z: 76 60.520 2.239 0.750 0.668 0.933 0.653 CB 1.636 76 residues pruned to eliminate duplicates Z: 85 53.187 2.209 0.695 0.632 0.905 0.643 CB 1.514 85 residues pruned to eliminate duplicates Z: 70 52.925 2.223 0.640 0.668 0.942 0.652 CB 1.587 70 residues pruned to eliminate duplicates Z: 18 17.881 1.910 0.821 0.672 0.824 0.588 CB 1.292 18 residues pruned to eliminate duplicates Z: 55 39.832 2.130 0.709 0.654 0.870 0.685 CB 1.483 55 residues pruned to eliminate duplicates Z: 99 66.985 2.238 0.772 0.668 0.929 0.653 CB 1.574 99 residues pruned to eliminate duplicates Z: 36 39.286 2.216 0.795 0.712 0.914 0.743 CB 1.507 36 residues pruned to eliminate duplicates Z: 94 63.425 2.183 0.788 0.658 0.935 0.677 CB 1.556 94 residues pruned to eliminate duplicates Z: 84 53.768 2.211 0.643 0.634 0.928 0.699 CB 1.544 84 residues pruned to eliminate duplicates Z: 35 39.491 2.216 0.748 0.728 0.912 0.824 CB 1.562 35 residues pruned to eliminate duplicates Z: 6 2.519 1.608 0.360 0.376 0.800 0.600 CB 0.735 6 residues pruned to eliminate duplicates Z: 17 29.226 2.253 0.594 0.743 1.000 0.812 CB 1.636 17 residues pruned to eliminate duplicates Z: 38 37.171 2.172 0.767 0.729 0.892 0.811 CB 1.453 38 residues pruned to eliminate duplicates Z: 84 54.063 2.234 0.616 0.639 0.928 0.663 CB 1.556 84 residues pruned to eliminate duplicates Z: 25 28.345 2.094 0.737 0.648 0.917 0.708 CB 1.511 25 residues pruned to eliminate duplicates Z: 36 38.424 2.219 0.787 0.664 0.943 0.771 CB 1.492 36 residues pruned to eliminate duplicates Z: 19 20.457 2.116 0.656 0.566 0.833 0.667 CB 1.549 19 residues pruned to eliminate duplicates Z: 26 26.623 2.071 0.736 0.619 0.920 0.720 CB 1.438 26 residues pruned to eliminate duplicates Z: 17 29.464 2.189 0.820 0.692 0.938 0.688 CB 1.654 17 residues pruned to eliminate duplicates Z: 14 23.985 1.937 0.594 0.894 1.000 0.923 CB 1.545 14 residues pruned to eliminate duplicates Z: 17 27.631 2.145 0.688 0.672 1.000 0.750 CB 1.627 17 residues pruned to eliminate duplicates Z: 137 82.771 2.275 0.854 0.635 0.912 0.699 CB 1.626 137 residues pruned to eliminate duplicates Z: 18 25.806 2.098 0.678 0.639 1.000 0.706 CB 1.561 18 residues pruned to eliminate duplicates Z: 46 48.752 2.390 0.650 0.604 0.956 0.644 CB 1.747 46 residues pruned to eliminate duplicates Z: 74 61.592 2.366 0.696 0.597 0.945 0.658 CB 1.733 74 residues pruned to eliminate duplicates Z: 14 25.057 2.293 0.524 0.740 0.923 0.769 CB 1.737 14 residues pruned to eliminate duplicates Z: 43 49.445 2.378 0.774 0.602 1.000 0.643 CB 1.640 43 residues pruned to eliminate duplicates Z: 58 40.384 2.239 0.711 0.501 0.930 0.614 CB 1.500 58 residues pruned to eliminate duplicates Z: 46 52.687 2.392 0.814 0.606 0.933 0.622 CB 1.753 46 residues pruned to eliminate duplicates Z: 43 52.940 2.347 0.858 0.624 0.952 0.738 CB 1.750 43 residues pruned to eliminate duplicates Z: 47 54.648 2.396 0.841 0.556 0.978 0.630 CB 1.768 47 residues pruned to eliminate duplicates Z: 143 63.215 2.247 0.610 0.530 0.908 0.648 CB 1.567 143 residues pruned to eliminate duplicates Z: 25 33.657 2.296 0.844 0.611 0.917 0.667 CB 1.593 25 residues pruned to eliminate duplicates Z: 58 45.230 2.296 0.810 0.481 0.930 0.649 CB 1.580 58 residues pruned to eliminate duplicates Z: 44 48.511 2.302 0.837 0.594 0.953 0.651 CB 1.677 44 residues pruned to eliminate duplicates Z: 57 38.648 2.241 0.778 0.469 0.857 0.607 CB 1.560 57 residues pruned to eliminate duplicates Z: 74 61.258 2.362 0.721 0.568 0.973 0.685 CB 1.697 74 residues pruned to eliminate duplicates Z: 50 44.943 2.342 0.795 0.500 0.939 0.633 CB 1.627 50 residues pruned to eliminate duplicates Z: 30 24.592 2.205 0.467 0.526 0.897 0.690 CB 1.534 30 residues pruned to eliminate duplicates Z: 49 44.315 2.346 0.687 0.554 0.917 0.708 CB 1.673 49 residues pruned to eliminate duplicates Z: 74 60.992 2.369 0.665 0.590 0.973 0.767 CB 1.708 74 residues pruned to eliminate duplicates Z: 73 54.408 2.343 0.633 0.560 0.944 0.653 CB 1.674 73 residues pruned to eliminate duplicates Z: 16 12.131 2.041 0.684 0.418 0.733 0.600 CB 1.353 16 residues pruned to eliminate duplicates Z: 46 55.784 2.435 0.771 0.613 0.978 0.733 CB 1.772 46 residues pruned to eliminate duplicates Z: 47 52.133 2.359 0.788 0.569 0.978 0.652 CB 1.742 47 residues pruned to eliminate duplicates Z: 149 76.819 2.317 0.685 0.563 0.919 0.635 CB 1.655 149 residues pruned to eliminate duplicates Z: 46 55.021 2.391 0.770 0.571 1.000 0.600 CB 1.809 46 residues pruned to eliminate duplicates Z: 46 50.398 2.367 0.725 0.571 1.000 0.689 CB 1.718 46 residues pruned to eliminate duplicates Z: 60 48.995 2.369 0.742 0.563 0.881 0.593 CB 1.650 60 residues pruned to eliminate duplicates Z: 46 52.187 2.412 0.707 0.598 0.978 0.644 CB 1.760 46 residues pruned to eliminate duplicates Z: 76 47.862 2.282 0.717 0.470 0.907 0.560 CB 1.604 76 residues pruned to eliminate duplicates Z: 46 53.285 2.400 0.698 0.579 1.000 0.644 CB 1.806 46 residues pruned to eliminate duplicates Z: 45 52.494 2.413 0.734 0.611 0.955 0.659 CB 1.783 45 residues pruned to eliminate duplicates Z: 62 51.971 2.359 0.626 0.568 0.951 0.639 CB 1.707 62 residues pruned to eliminate duplicates Z: 73 61.924 2.380 0.703 0.601 0.958 0.736 CB 1.706 73 residues pruned to eliminate duplicates Z: 62 56.547 2.359 0.780 0.576 0.934 0.738 CB 1.715 62 residues pruned to eliminate duplicates Z: 75 59.257 2.345 0.651 0.572 0.959 0.676 CB 1.730 75 residues pruned to eliminate duplicates Z: 62 51.939 2.341 0.696 0.558 0.951 0.672 CB 1.665 62 residues pruned to eliminate duplicates Z: 73 59.163 2.371 0.691 0.583 0.958 0.736 CB 1.675 73 residues pruned to eliminate duplicates Z: 50 45.599 2.320 0.805 0.543 0.898 0.551 CB 1.660 50 residues pruned to eliminate duplicates Z: 61 39.337 2.201 0.710 0.481 0.900 0.483 CB 1.528 61 residues pruned to eliminate duplicates Z: 64 47.185 2.263 0.812 0.490 0.937 0.603 CB 1.563 64 residues pruned to eliminate duplicates Z: 159 77.874 2.335 0.640 0.576 0.924 0.614 CB 1.626 159 residues pruned to eliminate duplicates Z: 9 9.871 2.162 0.808 0.534 0.750 0.500 CB 1.152 9 residues pruned to eliminate duplicates Z: 74 59.590 2.369 0.697 0.587 0.945 0.630 CB 1.688 74 residues pruned to eliminate duplicates Z: 35 32.459 2.352 0.373 0.590 0.941 0.794 CB 1.680 35 residues pruned to eliminate duplicates Z: 62 55.804 2.367 0.732 0.566 0.951 0.721 CB 1.719 62 residues pruned to eliminate duplicates Z: 75 57.798 2.344 0.694 0.572 0.932 0.635 CB 1.693 75 residues pruned to eliminate duplicates Z: 88 64.030 2.301 0.795 0.564 0.943 0.678 CB 1.656 177 residues pruned to eliminate duplicates Z: 75 57.503 2.330 0.705 0.586 0.919 0.716 CB 1.686 75 residues pruned to eliminate duplicates Z: 29 29.888 2.328 0.461 0.577 0.929 0.750 CB 1.660 29 residues pruned to eliminate duplicates Z: 45 27.862 2.175 0.509 0.511 0.864 0.591 CB 1.466 45 residues pruned to eliminate duplicates Z: 23 23.432 2.186 0.607 0.501 0.909 0.409 CB 1.563 23 residues pruned to eliminate duplicates Z: 74 54.651 2.337 0.694 0.559 0.904 0.685 CB 1.687 74 residues pruned to eliminate duplicates Z: 19 16.693 2.112 0.493 0.431 0.833 0.667 CB 1.608 19 residues pruned to eliminate duplicates Z: 73 56.814 2.333 0.746 0.572 0.917 0.625 CB 1.673 73 residues pruned to eliminate duplicates Z: 72 58.982 2.330 0.799 0.578 0.930 0.690 CB 1.666 72 residues pruned to eliminate duplicates Z: 29 29.550 2.259 0.500 0.584 0.929 0.750 CB 1.638 29 residues pruned to eliminate duplicates Z: 114 58.056 2.263 0.601 0.531 0.938 0.655 CB 1.559 114 residues pruned to eliminate duplicates Z: 61 52.312 2.364 0.747 0.554 0.917 0.633 CB 1.692 61 residues pruned to eliminate duplicates Z: 176 82.936 2.296 0.725 0.568 0.903 0.634 CB 1.642 176 residues pruned to eliminate duplicates Z: 18 24.454 2.266 0.567 0.537 0.941 0.706 CB 1.712 18 residues pruned to eliminate duplicates Z: 73 60.467 2.349 0.792 0.572 0.917 0.694 CB 1.722 73 residues pruned to eliminate duplicates Z: 27 36.738 2.305 0.668 0.633 0.962 0.731 CB 1.719 27 residues pruned to eliminate duplicates Z: 39 34.556 2.321 0.578 0.528 0.895 0.711 CB 1.665 39 residues pruned to eliminate duplicates Z: 18 24.934 2.212 0.441 0.605 1.000 0.824 CB 1.717 18 residues pruned to eliminate duplicates Z: 75 53.463 2.298 0.777 0.544 0.892 0.662 CB 1.635 75 residues pruned to eliminate duplicates Z: 61 55.052 2.346 0.801 0.571 0.950 0.683 CB 1.654 61 residues pruned to eliminate duplicates Z: 36 36.005 2.352 0.611 0.534 0.914 0.800 CB 1.700 36 residues pruned to eliminate duplicates Z: 18 19.990 2.175 0.473 0.541 0.941 0.647 CB 1.544 18 residues pruned to eliminate duplicates Z: 29 31.477 2.254 0.664 0.573 0.929 0.786 CB 1.591 29 residues pruned to eliminate duplicates Z: 29 32.214 2.216 0.671 0.584 0.929 0.679 CB 1.634 29 residues pruned to eliminate duplicates Z: 28 28.189 2.194 0.632 0.409 0.963 0.667 CB 1.730 28 residues pruned to eliminate duplicates Z: 80 59.236 2.360 0.767 0.543 0.924 0.734 CB 1.658 80 residues pruned to eliminate duplicates Z: 104 52.898 2.217 0.715 0.472 0.903 0.592 CB 1.561 104 residues pruned to eliminate duplicates Z: 40 29.314 2.281 0.571 0.442 0.897 0.615 CB 1.549 40 residues pruned to eliminate duplicates Z: 27 28.940 2.188 0.736 0.443 0.923 0.577 CB 1.717 27 residues pruned to eliminate duplicates Z: 8 13.156 2.291 0.592 0.409 1.000 0.571 CA 1.500 8 residues pruned to eliminate duplicates Z: 44 37.245 2.289 0.683 0.504 0.930 0.605 CB 1.579 44 residues pruned to eliminate duplicates Z: 49 51.526 2.328 0.912 0.528 0.917 0.542 CB 1.773 48 residues pruned to eliminate duplicates Z: 6 3.638 1.480 1.412 0.100 0.800 0.200 CB 0.950 Z: 22 54.606 2.390 1.241 0.780 1.000 0.714 CB 1.738 28 residues pruned to eliminate duplicates Z: 48 43.116 2.299 0.869 0.544 0.851 0.553 CB 1.648 48 residues pruned to eliminate duplicates Z: 35 37.648 2.307 0.935 0.533 0.882 0.559 CB 1.587 35 residues pruned to eliminate duplicates Z: 38 57.590 2.334 1.052 0.657 0.973 0.649 CB 1.756 38 residues pruned to eliminate duplicates Z: 65 53.295 2.300 0.768 0.537 0.922 0.625 CB 1.715 41 residues pruned to eliminate duplicates Z: 17 53.465 2.333 1.187 0.922 1.000 0.875 CB 1.843 17 residues pruned to eliminate duplicates Z: 40 55.735 2.387 1.094 0.588 0.923 0.615 CB 1.779 41 residues pruned to eliminate duplicates Z: 17 46.069 2.471 0.786 0.881 1.000 0.938 CB 1.890 17 residues pruned to eliminate duplicates Z: 42 42.712 2.293 0.841 0.550 0.902 0.585 CB 1.668 42 residues pruned to eliminate duplicates Z: 75 59.291 2.338 0.772 0.563 0.905 0.676 CB 1.728 65 residues pruned to eliminate duplicates Z: 16 46.199 2.405 0.908 0.878 1.000 0.867 CB 1.886 16 residues pruned to eliminate duplicates Z: 41 48.420 2.308 0.958 0.583 0.925 0.650 CB 1.691 41 residues pruned to eliminate duplicates Z: 42 47.532 2.291 0.908 0.575 0.927 0.537 CB 1.705 42 residues pruned to eliminate duplicates Z: 141 85.907 2.364 0.698 0.617 0.907 0.600 CB 1.784 42 residues pruned to eliminate duplicates Z: 16 50.463 2.433 1.049 0.910 1.000 0.867 C 1.854 16 residues pruned to eliminate duplicates Z: 124 75.536 2.327 0.845 0.537 0.919 0.577 CB 1.665 124 residues pruned to eliminate duplicates Z: 66 51.774 2.282 0.819 0.529 0.908 0.662 CB 1.656 66 residues pruned to eliminate duplicates Z: 75 58.473 2.306 0.861 0.533 0.905 0.635 CB 1.694 75 residues pruned to eliminate duplicates Z: 84 64.661 2.333 0.847 0.535 0.928 0.602 CB 1.715 84 residues pruned to eliminate duplicates Z: 40 53.258 2.305 1.080 0.611 0.923 0.667 CB 1.734 40 residues pruned to eliminate duplicates Z: 40 55.315 2.338 1.083 0.618 0.923 0.590 CB 1.762 40 residues pruned to eliminate duplicates Z: 39 60.607 2.372 1.054 0.650 0.974 0.605 CB 1.802 39 residues pruned to eliminate duplicates Z: 37 58.702 2.366 1.034 0.675 0.972 0.611 CB 1.779 37 residues pruned to eliminate duplicates Z: 40 53.465 2.357 0.943 0.595 0.974 0.641 CB 1.753 40 residues pruned to eliminate duplicates Z: 38 52.089 2.401 1.020 0.608 0.892 0.595 CB 1.786 38 residues pruned to eliminate duplicates Z: 66 54.895 2.272 0.798 0.535 0.938 0.615 CB 1.715 66 residues pruned to eliminate duplicates Z: 37 51.798 2.385 0.985 0.628 0.889 0.583 CB 1.819 37 residues pruned to eliminate duplicates Z: 42 49.724 2.346 1.024 0.575 0.902 0.561 CB 1.685 42 residues pruned to eliminate duplicates Z: 39 51.674 2.371 0.968 0.613 0.921 0.658 CB 1.754 39 residues pruned to eliminate duplicates Z: 39 54.103 2.359 1.113 0.605 0.921 0.658 CB 1.729 39 residues pruned to eliminate duplicates Z: 45 48.088 2.318 1.022 0.541 0.909 0.545 CB 1.634 45 residues pruned to eliminate duplicates Z: 36 51.446 2.344 0.996 0.666 0.886 0.600 CB 1.800 36 residues pruned to eliminate duplicates Z: 42 50.482 2.314 1.011 0.584 0.902 0.537 CB 1.732 42 residues pruned to eliminate duplicates Z: 74 47.963 2.195 0.634 0.592 0.932 0.699 CB 1.539 6 residues pruned to eliminate duplicates Z: 12 13.456 2.197 0.045 0.742 1.000 0.909 CB 1.423 13 residues pruned to eliminate duplicates Z: 11 15.107 2.177 0.116 0.811 1.000 1.000 CB 1.500 11 residues pruned to eliminate duplicates Z: 15 7.365 1.851 0.314 0.294 0.857 0.571 CB 1.189 15 residues pruned to eliminate duplicates Z: 35 23.956 2.082 0.445 0.575 0.941 0.735 CB 1.349 35 residues pruned to eliminate duplicates Z: 11 23.209 2.095 0.763 0.866 1.000 0.900 CB 1.454 11 residues pruned to eliminate duplicates Z: 12 20.142 1.919 0.712 0.917 1.000 0.727 CB 1.304 12 residues pruned to eliminate duplicates Z: 33 19.159 1.968 0.559 0.526 0.875 0.688 CB 1.230 33 residues pruned to eliminate duplicates Z: 33 19.852 1.984 0.519 0.556 0.875 0.656 CB 1.261 33 residues pruned to eliminate duplicates Z: 77 38.032 2.148 0.515 0.550 0.921 0.632 CB 1.387 77 residues pruned to eliminate duplicates Z: 73 48.853 2.202 0.651 0.601 0.958 0.708 CB 1.501 73 residues pruned to eliminate duplicates Z: 9 10.164 2.170 0.353 0.467 0.875 0.625 CB 1.447 Z: 6 3.680 1.518 0.401 0.470 0.800 0.800 CB 0.997 6 residues pruned to eliminate duplicates Z: 16 5.530 1.658 0.286 0.274 0.800 0.667 CB 1.082 16 residues pruned to eliminate duplicates Z: 17 10.935 1.982 0.548 0.414 0.938 0.625 CB 1.040 9 residues pruned to eliminate duplicates 6 1.497 1.624 0.572 0.176 0.600 0.400 CB 0.647 ? Z: 6 4.550 1.830 0.482 0.280 1.000 0.600 CB 0.961 6 residues pruned to eliminate duplicates Z: 61 36.532 2.161 0.566 0.557 0.933 0.600 CB 1.413 63 residues pruned to eliminate duplicates Z: 14 26.208 2.220 0.543 0.808 1.000 0.769 CB 1.622 14 residues pruned to eliminate duplicates Z: 74 41.394 2.195 0.402 0.600 0.945 0.753 CB 1.514 74 residues pruned to eliminate duplicates Z: 46 40.863 2.272 0.543 0.597 0.978 0.733 CB 1.620 46 residues pruned to eliminate duplicates Z: 47 40.063 2.250 0.519 0.611 0.978 0.761 CB 1.590 47 residues pruned to eliminate duplicates Z: 46 40.395 2.217 0.562 0.611 0.978 0.733 CB 1.601 46 residues pruned to eliminate duplicates Z: 29 31.666 2.251 0.569 0.586 1.000 0.607 CB 1.560 29 residues pruned to eliminate duplicates Z: 57 43.104 2.227 0.527 0.594 0.964 0.643 CB 1.605 57 residues pruned to eliminate duplicates Z: 58 42.720 2.202 0.653 0.585 0.947 0.561 CB 1.512 58 residues pruned to eliminate duplicates Z: 57 44.526 2.236 0.565 0.603 0.964 0.750 CB 1.599 57 residues pruned to eliminate duplicates Z: 47 41.419 2.196 0.638 0.596 0.978 0.804 CB 1.583 47 residues pruned to eliminate duplicates Z: 59 44.491 2.223 0.650 0.601 0.948 0.707 CB 1.526 59 residues pruned to eliminate duplicates Z: 45 45.745 2.292 0.642 0.633 0.977 0.705 CB 1.654 45 residues pruned to eliminate duplicates Z: 57 41.264 2.219 0.549 0.589 0.964 0.625 CB 1.527 57 residues pruned to eliminate duplicates Z: 46 48.586 2.271 0.693 0.617 1.000 0.644 CB 1.687 46 residues pruned to eliminate duplicates Z: 58 45.410 2.209 0.659 0.599 0.947 0.667 CB 1.577 58 residues pruned to eliminate duplicates Z: 27 30.961 2.161 0.780 0.582 0.962 0.654 CB 1.517 27 residues pruned to eliminate duplicates Z: 46 40.754 2.254 0.522 0.600 1.000 0.711 CB 1.610 46 residues pruned to eliminate duplicates Z: 46 41.720 2.244 0.561 0.607 1.000 0.778 CB 1.604 46 residues pruned to eliminate duplicates Z: 29 30.800 2.261 0.610 0.590 0.929 0.643 CB 1.579 29 residues pruned to eliminate duplicates Z: 57 48.534 2.241 0.692 0.605 0.982 0.714 CB 1.577 57 residues pruned to eliminate duplicates Z: 45 42.017 2.239 0.624 0.608 0.977 0.727 CB 1.608 45 residues pruned to eliminate duplicates Z: 43 36.049 2.200 0.564 0.595 0.952 0.714 CB 1.551 43 residues pruned to eliminate duplicates Z: 43 40.604 2.229 0.703 0.600 0.952 0.738 CB 1.576 43 residues pruned to eliminate duplicates Z: 45 45.594 2.297 0.633 0.642 0.977 0.795 CB 1.642 45 residues pruned to eliminate duplicates Z: 29 30.724 2.255 0.566 0.566 1.000 0.714 CB 1.542 29 residues pruned to eliminate duplicates Z: 56 44.013 2.222 0.671 0.607 0.927 0.709 CB 1.557 56 residues pruned to eliminate duplicates Z: 57 47.637 2.250 0.659 0.609 0.982 0.696 CB 1.565 57 residues pruned to eliminate duplicates Z: 45 45.952 2.278 0.671 0.632 0.977 0.659 CB 1.646 45 residues pruned to eliminate duplicates Z: 22 24.724 2.097 0.708 0.545 0.905 0.571 CB 1.594 22 residues pruned to eliminate duplicates Z: 46 40.722 2.215 0.658 0.592 0.956 0.644 CB 1.584 46 residues pruned to eliminate duplicates Z: 36 43.978 2.292 0.725 0.665 0.971 0.743 CB 1.662 36 residues pruned to eliminate duplicates Z: 46 44.807 2.236 0.768 0.597 0.978 0.600 CB 1.575 46 residues pruned to eliminate duplicates Z: 35 41.693 2.255 0.711 0.670 0.941 0.647 CB 1.683 35 residues pruned to eliminate duplicates Z: 74 46.421 2.165 0.538 0.613 0.973 0.753 CB 1.508 74 residues pruned to eliminate duplicates Z: 58 45.867 2.220 0.654 0.603 0.947 0.649 CB 1.583 58 residues pruned to eliminate duplicates Z: 50 31.596 2.128 0.452 0.570 0.959 0.714 CB 1.423 50 residues pruned to eliminate duplicates Z: 46 46.889 2.289 0.682 0.612 1.000 0.756 CB 1.632 46 residues pruned to eliminate duplicates Z: 56 48.374 2.254 0.740 0.616 0.927 0.655 CB 1.606 56 residues pruned to eliminate duplicates Z: 45 47.173 2.293 0.745 0.620 0.977 0.727 CB 1.624 45 residues pruned to eliminate duplicates Z: 46 43.445 2.255 0.682 0.602 0.956 0.733 CB 1.621 46 residues pruned to eliminate duplicates Z: 57 43.760 2.246 0.622 0.601 0.929 0.643 CB 1.570 57 residues pruned to eliminate duplicates Z: 58 42.334 2.211 0.629 0.579 0.930 0.649 CB 1.552 58 residues pruned to eliminate duplicates Z: 57 45.839 2.235 0.678 0.605 0.964 0.750 CB 1.533 57 residues pruned to eliminate duplicates Z: 57 46.011 2.225 0.697 0.593 0.946 0.571 CB 1.574 57 residues pruned to eliminate duplicates Z: 56 43.446 2.229 0.623 0.600 0.945 0.764 CB 1.558 56 residues pruned to eliminate duplicates Z: 18 15.473 2.125 0.364 0.569 0.824 0.647 CB 1.472 18 residues pruned to eliminate duplicates Z: 19 16.649 1.941 0.516 0.577 0.889 0.722 CB 1.392 19 residues pruned to eliminate duplicates Z: 20 14.392 2.059 0.403 0.479 0.895 0.526 CB 1.305 20 residues pruned to eliminate duplicates Z: 57 46.281 2.244 0.696 0.614 0.929 0.750 CB 1.571 57 residues pruned to eliminate duplicates Z: 75 42.757 2.178 0.524 0.578 0.932 0.676 CB 1.489 75 residues pruned to eliminate duplicates Z: 58 40.934 2.217 0.574 0.580 0.930 0.614 CB 1.547 58 residues pruned to eliminate duplicates Z: 74 47.574 2.203 0.578 0.591 0.959 0.685 CB 1.531 74 residues pruned to eliminate duplicates Z: 57 47.328 2.235 0.701 0.608 0.964 0.661 CB 1.558 57 residues pruned to eliminate duplicates Z: 74 41.854 2.170 0.589 0.565 0.918 0.644 CB 1.454 74 residues pruned to eliminate duplicates Z: 9 14.328 2.032 0.504 0.881 1.000 0.625 CB 1.200 9 residues pruned to eliminate duplicates Z: 11 14.418 2.127 0.634 0.306 1.000 0.900 CB 1.627 Z: 6 3.456 1.694 0.191 0.402 0.800 0.600 C 1.062 6 residues pruned to eliminate duplicates Z: 10 15.491 2.227 0.652 0.340 0.889 0.778 C 1.879 11 residues pruned to eliminate duplicates Z: 6 6.941 2.095 0.153 0.453 1.000 1.000 CB 1.348 6 residues pruned to eliminate duplicates Z: 10 17.046 2.252 0.548 0.405 1.000 0.778 CB 1.800 10 residues pruned to eliminate duplicates Z: 11 13.133 2.168 0.694 0.309 0.900 0.900 CB 1.554 11 residues pruned to eliminate duplicates Z: 6 4.520 1.695 0.438 0.436 0.800 0.800 N 1.107 4 residues pruned to eliminate duplicates Z: 6 5.660 1.729 0.708 0.342 0.800 0.200 CA 1.273 6 residues pruned to eliminate duplicates Z: 6 4.585 1.436 1.019 0.275 0.800 0.200 N 1.141 5 residues pruned to eliminate duplicates Z: 7 6.858 2.016 0.690 0.358 0.833 0.500 CB 1.149 10 residues pruned to eliminate duplicates Z: 6 9.469 1.801 0.811 0.505 1.000 0.200 C 1.292 6 residues pruned to eliminate duplicates Z: 49 50.161 2.298 0.888 0.542 0.917 0.646 CB 1.747 49 residues pruned to eliminate duplicates Z: 38 49.489 2.326 0.875 0.635 0.919 0.649 CB 1.788 38 residues pruned to eliminate duplicates Z: 42 50.724 2.303 0.830 0.611 0.927 0.585 CB 1.825 42 residues pruned to eliminate duplicates Z: 29 44.496 2.287 0.964 0.622 0.929 0.643 CB 1.797 29 residues pruned to eliminate duplicates Z: 49 52.516 2.325 0.834 0.564 0.979 0.625 CB 1.706 49 residues pruned to eliminate duplicates Z: 41 41.630 2.213 0.713 0.579 0.925 0.525 CB 1.740 41 residues pruned to eliminate duplicates Z: 38 50.276 2.319 0.805 0.657 0.973 0.622 CB 1.753 38 residues pruned to eliminate duplicates Z: 49 48.074 2.319 0.727 0.571 0.917 0.625 CB 1.764 49 residues pruned to eliminate duplicates Z: 51 46.140 2.244 0.790 0.539 0.980 0.580 CB 1.595 51 residues pruned to eliminate duplicates Z: 136 79.054 2.305 0.672 0.632 0.926 0.630 CB 1.685 136 residues pruned to eliminate duplicates Z: 50 46.610 2.263 0.848 0.527 0.918 0.633 CB 1.688 50 residues pruned to eliminate duplicates Z: 42 47.303 2.278 0.820 0.590 0.927 0.512 CB 1.764 42 residues pruned to eliminate duplicates Z: 38 47.615 2.277 0.806 0.676 0.919 0.649 CB 1.762 38 residues pruned to eliminate duplicates Z: 49 47.654 2.267 0.833 0.548 0.938 0.646 CB 1.685 49 residues pruned to eliminate duplicates Z: 50 48.255 2.264 0.912 0.544 0.918 0.633 CB 1.660 50 residues pruned to eliminate duplicates Z: 39 48.814 2.286 0.829 0.641 0.947 0.658 CB 1.751 39 residues pruned to eliminate duplicates Z: 39 52.342 2.309 0.886 0.657 0.947 0.579 CB 1.780 39 residues pruned to eliminate duplicates Z: 50 47.960 2.270 0.861 0.550 0.918 0.633 CB 1.681 50 residues pruned to eliminate duplicates Z: 51 47.725 2.249 0.830 0.535 0.960 0.520 CB 1.650 51 residues pruned to eliminate duplicates Z: 39 51.467 2.329 0.809 0.639 0.974 0.579 CB 1.787 39 residues pruned to eliminate duplicates Z: 49 45.954 2.271 0.826 0.558 0.917 0.562 CB 1.649 49 residues pruned to eliminate duplicates Z: 41 45.994 2.227 0.831 0.608 0.950 0.600 CB 1.694 41 residues pruned to eliminate duplicates Z: 38 53.457 2.290 0.931 0.657 0.946 0.568 CA 1.816 38 residues pruned to eliminate duplicates Z: 40 49.615 2.309 0.838 0.651 0.923 0.564 CB 1.763 40 residues pruned to eliminate duplicates Z: 16 18.457 2.148 0.660 0.510 0.867 0.333 CB 1.528 16 residues pruned to eliminate duplicates Z: 49 48.263 2.269 0.832 0.536 0.938 0.583 CB 1.725 49 residues pruned to eliminate duplicates Z: 48 52.692 2.284 0.915 0.563 0.936 0.638 CB 1.765 48 residues pruned to eliminate duplicates Z: 39 53.052 2.352 0.940 0.608 0.947 0.579 CB 1.796 39 residues pruned to eliminate duplicates Z: 41 49.557 2.345 0.857 0.594 0.950 0.650 CB 1.731 41 residues pruned to eliminate duplicates Z: 38 50.299 2.290 0.860 0.656 0.946 0.649 CB 1.775 38 residues pruned to eliminate duplicates Z: 40 50.593 2.273 0.942 0.629 0.949 0.462 CB 1.714 40 residues pruned to eliminate duplicates Z: 18 16.860 2.089 0.508 0.499 0.882 0.412 CA 1.473 18 residues pruned to eliminate duplicates Z: 17 25.331 2.160 0.584 0.607 1.000 0.375 CB 1.673 17 residues pruned to eliminate duplicates Z: 38 51.925 2.302 0.920 0.680 0.946 0.622 CB 1.730 38 residues pruned to eliminate duplicates 468 residues left after pruning, divided into chains as follows: A: 234 B: 88 C: 146 CC for partial structure against native data = 42.97 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.381, Connect. = 0.758 for dens.mod. cycle 1 = 0.300, Contrast = 0.426, Connect. = 0.777 for dens.mod. cycle 2 = 0.300, Contrast = 0.510, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.523, Connect. = 0.806 for dens.mod. cycle 5 = 0.300, Contrast = 0.528, Connect. = 0.808 for dens.mod. cycle 6 = 0.300, Contrast = 0.533, Connect. = 0.809 for dens.mod. cycle 7 = 0.300, Contrast = 0.537, Connect. = 0.809 for dens.mod. cycle 8 = 0.300, Contrast = 0.541, Connect. = 0.810 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3375 peaks > 0.5 sigma used to seed fragment search Space for about 512 unique residues taking solvent into account 695 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 28.450 2.299 0.475 0.834 1.000 0.769 CB 1.744 B: 10 27.545 2.353 0.795 0.851 0.889 0.778 C 1.810 10 residues pruned to eliminate duplicates C: 35 38.969 2.374 0.622 0.592 0.941 0.794 CB 1.689 D: 13 32.996 2.373 0.709 0.815 0.917 0.667 CB 1.949 14 residues pruned to eliminate duplicates E: 13 31.047 2.496 0.250 0.938 1.000 1.000 C 1.998 F: 13 33.244 2.458 0.545 0.889 1.000 0.917 CB 1.820 14 residues pruned to eliminate duplicates G: 12 42.794 2.522 0.782 0.872 1.000 1.000 CB 2.092 12 residues pruned to eliminate duplicates H: 73 57.667 2.363 0.652 0.581 0.958 0.764 CB 1.680 48 residues pruned to eliminate duplicates I: 13 34.507 2.408 0.726 0.825 0.917 0.833 CB 1.974 13 residues pruned to eliminate duplicates J: 46 44.070 2.345 0.809 0.519 0.933 0.600 CB 1.629 46 residues pruned to eliminate duplicates K: 19 33.718 2.385 0.515 0.860 0.889 0.833 CA 1.819 L: 11 40.217 2.565 0.821 0.832 1.000 0.800 CB 2.045 11 residues pruned to eliminate duplicates M: 15 37.462 2.298 0.639 0.876 1.000 0.857 CB 1.932 13 residues pruned to eliminate duplicates N: 14 42.097 2.467 0.647 0.928 1.000 0.923 CB 2.012 O: 36 36.788 2.305 0.625 0.553 0.914 0.714 CB 1.724 36 residues pruned to eliminate duplicates P: 15 51.886 2.369 1.089 0.927 1.000 1.000 CA 1.963 14 residues pruned to eliminate duplicates Q: 18 41.044 2.311 0.703 0.884 1.000 0.882 CA 1.827 R: 12 40.403 2.442 0.795 0.921 1.000 0.727 CA 1.956 S: 14 57.416 2.528 1.052 0.938 1.000 1.000 CA 2.134 15 residues pruned to eliminate duplicates T: 14 36.625 2.322 0.793 0.877 1.000 0.692 CB 1.772 14 residues pruned to eliminate duplicates U: 13 37.170 2.434 0.854 0.892 0.917 0.833 CB 1.863 13 residues pruned to eliminate duplicates V: 8 14.807 2.364 0.155 0.857 0.857 0.714 CA 1.762 W: 13 28.277 2.465 0.287 0.879 1.000 0.833 CB 1.865 13 residues pruned to eliminate duplicates X: 13 29.656 2.199 0.603 0.913 1.000 0.917 CA 1.718 Y: 14 41.950 2.404 0.721 0.924 1.000 1.000 C 1.975 15 residues pruned to eliminate duplicates Z: 44 29.838 2.088 0.602 0.502 0.930 0.581 CB 1.459 Z: 18 44.106 2.391 0.846 0.869 1.000 0.824 CB 1.770 Z: 14 32.930 2.336 0.526 0.909 1.000 0.923 C 1.819 14 residues pruned to eliminate duplicates Z: 17 47.350 2.393 0.901 0.910 1.000 0.938 C 1.844 17 residues pruned to eliminate duplicates Z: 9 26.265 2.453 0.675 0.871 1.000 0.875 CA 1.648 Z: 13 28.093 2.235 0.449 0.920 1.000 0.917 CB 1.764 13 residues pruned to eliminate duplicates Z: 12 28.760 2.249 0.512 0.908 1.000 0.909 CB 1.812 Z: 13 27.684 2.044 0.784 0.913 1.000 0.833 C 1.551 Z: 14 26.498 2.064 0.449 0.907 1.000 1.000 C 1.747 13 residues pruned to eliminate duplicates Z: 25 39.307 2.337 0.498 0.798 1.000 0.667 CA 1.766 19 residues pruned to eliminate duplicates Z: 18 35.931 2.283 0.731 0.907 0.941 0.941 CB 1.665 18 residues pruned to eliminate duplicates Z: 16 38.019 2.218 0.717 0.901 1.000 0.933 CA 1.840 15 residues pruned to eliminate duplicates Z: 18 45.007 2.416 0.782 0.870 1.000 0.882 CB 1.852 18 residues pruned to eliminate duplicates Z: 10 13.611 2.116 0.274 0.828 0.889 0.667 CB 1.426 9 residues pruned to eliminate duplicates Z: 33 43.508 2.398 0.816 0.554 0.969 0.719 CB 1.730 33 residues pruned to eliminate duplicates Z: 18 43.596 2.319 0.745 0.900 1.000 0.941 CA 1.866 18 residues pruned to eliminate duplicates Z: 11 16.278 2.103 0.314 0.841 1.000 0.600 CA 1.390 11 residues pruned to eliminate duplicates Z: 29 18.836 1.935 0.464 0.476 0.857 0.607 CB 1.503 29 residues pruned to eliminate duplicates Z: 14 34.830 2.389 0.522 0.909 1.000 0.923 CB 1.885 14 residues pruned to eliminate duplicates Z: 16 41.365 2.204 0.923 0.907 1.000 0.867 CB 1.790 16 residues pruned to eliminate duplicates Z: 15 36.771 2.280 0.656 0.895 1.000 0.929 C 1.867 15 residues pruned to eliminate duplicates Z: 16 46.375 2.402 0.967 0.908 1.000 0.933 C 1.800 16 residues pruned to eliminate duplicates Z: 14 13.459 2.090 0.620 0.347 0.846 0.692 CB 1.538 Z: 40 40.382 2.364 0.469 0.601 0.923 0.564 CB 1.832 25 residues pruned to eliminate duplicates Z: 8 19.289 2.277 0.245 0.861 1.000 0.857 CB 1.889 8 residues pruned to eliminate duplicates Z: 15 29.651 2.288 0.266 0.909 1.000 1.000 C 1.943 15 residues pruned to eliminate duplicates Z: 11 51.291 2.584 1.131 0.926 1.000 0.400 C 2.065 11 residues pruned to eliminate duplicates Z: 10 14.539 2.018 0.288 0.823 0.889 0.667 CA 1.586 10 residues pruned to eliminate duplicates Z: 13 30.614 2.216 0.719 0.902 1.000 1.000 CB 1.655 13 residues pruned to eliminate duplicates Z: 15 23.942 2.216 0.137 0.914 1.000 1.000 CB 1.797 15 residues pruned to eliminate duplicates Z: 9 20.910 2.314 0.451 0.848 1.000 0.625 CA 1.633 9 residues pruned to eliminate duplicates Z: 19 46.512 2.217 1.076 0.869 1.000 0.944 CA 1.740 19 residues pruned to eliminate duplicates Z: 21 31.992 2.371 0.335 0.823 0.950 0.700 CA 1.799 21 residues pruned to eliminate duplicates Z: 14 41.773 2.349 0.777 0.890 1.000 0.769 CB 1.997 14 residues pruned to eliminate duplicates Z: 16 57.465 2.519 1.088 0.926 1.000 0.933 C 1.977 17 residues pruned to eliminate duplicates Z: 15 9.940 2.021 0.426 0.327 0.714 0.643 CB 1.561 15 residues pruned to eliminate duplicates Z: 14 37.928 2.269 0.910 0.835 1.000 0.846 CB 1.818 14 residues pruned to eliminate duplicates Z: 18 38.253 2.302 0.577 0.888 1.000 0.941 CB 1.841 18 residues pruned to eliminate duplicates Z: 16 46.332 2.426 0.744 0.929 1.000 0.933 CA 1.980 17 residues pruned to eliminate duplicates Z: 22 32.934 2.134 0.511 0.871 1.000 0.714 CB 1.626 13 residues pruned to eliminate duplicates Z: 9 18.322 2.343 0.410 0.864 0.875 0.500 CA 1.643 9 residues pruned to eliminate duplicates Z: 13 35.999 2.274 0.833 0.930 1.000 0.917 CA 1.743 13 residues pruned to eliminate duplicates Z: 13 25.963 2.154 0.418 0.884 1.000 1.000 CB 1.774 13 residues pruned to eliminate duplicates Z: 18 38.825 2.186 0.771 0.904 1.000 0.882 C 1.732 18 residues pruned to eliminate duplicates Z: 9 26.053 2.246 0.626 0.887 1.000 1.000 CB 1.819 9 residues pruned to eliminate duplicates Z: 17 45.580 2.313 0.811 0.943 1.000 1.000 C 1.885 17 residues pruned to eliminate duplicates Z: 23 34.801 2.307 0.474 0.753 0.955 0.591 CB 1.824 21 residues pruned to eliminate duplicates Z: 17 33.953 2.293 0.571 0.862 0.938 0.812 CA 1.846 17 residues pruned to eliminate duplicates Z: 10 21.862 2.304 0.720 0.835 0.889 0.556 CA 1.550 10 residues pruned to eliminate duplicates Z: 26 37.471 2.257 0.666 0.765 0.920 0.560 CA 1.713 30 residues pruned to eliminate duplicates Z: 81 56.969 2.356 0.668 0.540 0.913 0.625 CB 1.708 74 residues pruned to eliminate duplicates Z: 22 35.309 2.191 0.585 0.814 0.952 0.667 C 1.773 22 residues pruned to eliminate duplicates Z: 10 12.710 2.070 0.305 0.814 0.778 0.667 CB 1.534 9 residues pruned to eliminate duplicates Z: 21 37.058 2.363 0.585 0.811 0.950 0.750 CA 1.777 21 residues pruned to eliminate duplicates Z: 18 45.242 2.294 0.869 0.890 1.000 0.824 CA 1.841 18 residues pruned to eliminate duplicates Z: 16 43.453 2.199 0.968 0.923 1.000 0.800 C 1.822 15 residues pruned to eliminate duplicates Z: 17 40.458 2.406 0.600 0.912 1.000 0.938 CB 1.861 17 residues pruned to eliminate duplicates Z: 12 26.365 2.256 0.343 0.905 1.000 1.000 CB 1.868 12 residues pruned to eliminate duplicates Z: 13 23.462 2.090 0.692 0.857 0.917 0.750 C 1.540 13 residues pruned to eliminate duplicates Z: 9 15.774 2.195 0.141 0.877 1.000 0.625 CB 1.617 Z: 12 29.406 2.295 0.619 0.879 1.000 0.909 CA 1.731 12 residues pruned to eliminate duplicates Z: 13 34.492 2.294 0.713 0.890 1.000 0.917 C 1.823 13 residues pruned to eliminate duplicates Z: 13 35.286 2.195 0.921 0.928 1.000 0.917 C 1.691 12 residues pruned to eliminate duplicates Z: 9 31.948 2.248 0.966 0.835 1.000 1.000 CB 1.915 9 residues pruned to eliminate duplicates Z: 13 23.911 2.132 0.509 0.834 0.917 0.833 C 1.754 13 residues pruned to eliminate duplicates Z: 25 30.139 2.283 0.447 0.760 0.875 0.708 CB 1.689 25 residues pruned to eliminate duplicates Z: 9 10.573 2.022 -0.179 0.869 1.000 0.750 CB 1.644 9 residues pruned to eliminate duplicates Z: 13 22.382 2.063 0.389 0.907 1.000 0.917 CB 1.602 13 residues pruned to eliminate duplicates Z: 9 16.891 2.198 0.310 0.837 1.000 0.750 CA 1.551 9 residues pruned to eliminate duplicates Z: 17 37.995 2.362 0.667 0.914 1.000 0.938 CB 1.706 16 residues pruned to eliminate duplicates Z: 11 17.264 2.109 0.129 0.925 1.000 1.000 CA 1.609 11 residues pruned to eliminate duplicates Z: 13 27.272 2.104 0.843 0.862 0.917 0.750 C 1.626 13 residues pruned to eliminate duplicates Z: 12 26.560 2.159 0.606 0.923 1.000 0.909 CA 1.624 12 residues pruned to eliminate duplicates Z: 18 42.070 2.341 0.666 0.898 1.000 0.824 CA 1.872 18 residues pruned to eliminate duplicates Z: 11 18.382 2.138 0.185 0.920 1.000 0.900 CA 1.616 11 residues pruned to eliminate duplicates Z: 14 19.772 1.953 0.335 0.894 1.000 1.000 CB 1.509 Z: 16 50.095 2.247 1.183 0.928 1.000 0.867 CA 1.847 16 residues pruned to eliminate duplicates Z: 13 34.891 2.268 0.774 0.892 1.000 0.833 CA 1.798 12 residues pruned to eliminate duplicates Z: 17 37.318 2.273 0.565 0.926 1.000 1.000 CA 1.839 17 residues pruned to eliminate duplicates Z: 8 15.240 2.211 0.575 0.830 0.714 0.571 C 1.740 8 residues pruned to eliminate duplicates Z: 13 28.084 2.109 0.591 0.908 1.000 0.917 CB 1.716 14 residues pruned to eliminate duplicates Z: 13 27.092 2.237 0.414 0.843 1.000 0.750 C 1.841 12 residues pruned to eliminate duplicates Z: 14 37.639 2.313 0.771 0.883 1.000 0.846 C 1.843 14 residues pruned to eliminate duplicates Z: 12 43.237 2.473 0.809 0.897 1.000 0.909 CB 2.085 12 residues pruned to eliminate duplicates Z: 97 52.989 2.278 0.667 0.484 0.896 0.604 CB 1.615 94 residues pruned to eliminate duplicates Z: 14 45.486 2.510 0.666 0.941 1.000 1.000 CA 2.093 14 residues pruned to eliminate duplicates Z: 46 43.000 2.265 0.571 0.616 1.000 0.733 CB 1.615 27 residues pruned to eliminate duplicates Z: 14 31.067 2.328 0.390 0.906 1.000 1.000 C 1.893 14 residues pruned to eliminate duplicates Z: 25 36.374 2.338 0.490 0.774 0.958 0.667 CA 1.746 25 residues pruned to eliminate duplicates Z: 7 11.205 2.290 -0.004 0.860 0.833 0.667 CB 1.770 7 residues pruned to eliminate duplicates Z: 18 43.806 2.309 0.832 0.891 1.000 0.824 CA 1.806 18 residues pruned to eliminate duplicates Z: 16 45.266 2.243 0.978 0.934 1.000 0.933 C 1.838 16 residues pruned to eliminate duplicates Z: 19 32.075 2.380 0.341 0.887 0.944 0.778 CA 1.808 19 residues pruned to eliminate duplicates Z: 11 19.806 2.140 0.254 0.917 1.000 0.900 CA 1.647 11 residues pruned to eliminate duplicates Z: 18 43.263 2.292 0.817 0.890 1.000 0.882 CA 1.813 17 residues pruned to eliminate duplicates Z: 8 24.919 2.309 0.566 0.845 1.000 0.714 CA 1.937 8 residues pruned to eliminate duplicates Z: 11 22.239 2.333 0.804 0.450 1.000 0.900 CB 1.759 14 residues pruned to eliminate duplicates Z: 15 33.409 2.336 0.387 0.946 1.000 1.000 CA 1.906 15 residues pruned to eliminate duplicates Z: 12 25.205 2.199 0.625 0.851 0.909 0.909 CB 1.732 12 residues pruned to eliminate duplicates Z: 19 44.320 2.294 0.856 0.859 1.000 0.778 C 1.805 19 residues pruned to eliminate duplicates Z: 8 10.690 1.991 0.113 0.904 1.000 0.857 CB 1.298 Z: 13 35.192 2.221 0.910 0.913 1.000 1.000 CB 1.695 13 residues pruned to eliminate duplicates Z: 14 20.982 2.180 0.246 0.903 0.923 0.846 CA 1.654 14 residues pruned to eliminate duplicates Z: 56 46.995 2.255 0.605 0.626 0.964 0.764 CB 1.614 53 residues pruned to eliminate duplicates Z: 18 41.035 2.282 0.743 0.880 1.000 0.824 CB 1.814 18 residues pruned to eliminate duplicates Z: 14 22.975 2.135 0.352 0.871 0.923 0.615 CB 1.744 14 residues pruned to eliminate duplicates Z: 12 30.086 2.106 0.922 0.898 1.000 0.909 C 1.603 14 residues pruned to eliminate duplicates Z: 47 40.996 2.229 0.561 0.605 0.978 0.739 CB 1.607 47 residues pruned to eliminate duplicates Z: 9 13.168 2.125 -0.040 0.879 1.000 0.875 CB 1.655 9 residues pruned to eliminate duplicates Z: 25 38.753 2.324 0.632 0.767 0.958 0.667 CA 1.718 25 residues pruned to eliminate duplicates Z: 94 65.040 2.328 0.661 0.602 0.903 0.699 CB 1.751 95 residues pruned to eliminate duplicates Z: 14 43.360 2.459 0.701 0.911 1.000 0.923 CB 2.037 14 residues pruned to eliminate duplicates Z: 19 40.039 2.147 1.077 0.797 0.944 0.667 CA 1.728 18 residues pruned to eliminate duplicates Z: 15 39.866 2.437 0.571 0.909 1.000 0.857 CB 1.975 15 residues pruned to eliminate duplicates Z: 16 49.066 2.505 0.871 0.941 1.000 1.000 C 1.876 16 residues pruned to eliminate duplicates Z: 14 20.644 1.956 0.438 0.880 0.923 0.846 CB 1.598 14 residues pruned to eliminate duplicates Z: 12 21.526 2.114 0.412 0.907 0.909 0.818 C 1.700 12 residues pruned to eliminate duplicates Z: 12 28.062 2.264 0.470 0.896 1.000 0.909 CB 1.821 12 residues pruned to eliminate duplicates Z: 18 36.453 2.378 0.585 0.895 1.000 0.882 CB 1.682 18 residues pruned to eliminate duplicates Z: 14 38.840 2.337 0.738 0.908 1.000 0.769 C 1.883 14 residues pruned to eliminate duplicates Z: 77 58.538 2.294 0.611 0.657 0.921 0.684 CB 1.705 41 residues pruned to eliminate duplicates Z: 13 24.332 2.242 0.547 0.819 0.917 0.917 CB 1.675 12 residues pruned to eliminate duplicates Z: 9 13.855 2.212 0.242 0.831 1.000 0.750 CA 1.340 9 residues pruned to eliminate duplicates Z: 14 19.153 1.979 0.679 0.815 0.846 0.769 CB 1.437 13 residues pruned to eliminate duplicates Z: 14 24.140 2.040 0.475 0.844 0.923 0.846 CB 1.793 14 residues pruned to eliminate duplicates Z: 31 45.297 2.395 0.927 0.551 0.967 0.700 CB 1.763 31 residues pruned to eliminate duplicates Z: 13 28.443 2.252 0.546 0.927 1.000 0.917 CA 1.652 13 residues pruned to eliminate duplicates Z: 13 22.417 2.129 0.530 0.815 0.917 0.750 CB 1.648 13 residues pruned to eliminate duplicates Z: 11 15.278 1.912 0.250 0.832 1.000 0.600 CA 1.518 10 residues pruned to eliminate duplicates Z: 85 59.465 2.305 0.554 0.616 0.940 0.679 CB 1.726 85 residues pruned to eliminate duplicates Z: 55 53.908 2.267 0.754 0.640 1.000 0.722 CB 1.618 56 residues pruned to eliminate duplicates Z: 17 44.036 2.372 0.840 0.927 1.000 1.000 C 1.767 17 residues pruned to eliminate duplicates Z: 10 24.407 2.228 0.624 0.828 1.000 0.778 CA 1.694 9 residues pruned to eliminate duplicates Z: 16 44.744 2.458 0.740 0.934 1.000 1.000 CB 1.884 16 residues pruned to eliminate duplicates Z: 14 41.982 2.329 0.845 0.917 1.000 1.000 C 1.912 14 residues pruned to eliminate duplicates Z: 13 19.836 2.083 0.270 0.895 1.000 0.833 CB 1.551 13 residues pruned to eliminate duplicates Z: 11 23.828 2.145 0.501 0.892 1.000 0.700 CB 1.682 11 residues pruned to eliminate duplicates Z: 22 34.807 2.329 0.382 0.833 0.952 0.810 CA 1.859 22 residues pruned to eliminate duplicates Z: 10 20.926 2.010 0.569 0.865 1.000 0.889 CA 1.620 10 residues pruned to eliminate duplicates Z: 11 19.283 2.153 0.266 0.907 1.000 1.000 CB 1.590 11 residues pruned to eliminate duplicates Z: 17 46.156 2.403 0.833 0.921 1.000 0.938 CB 1.844 17 residues pruned to eliminate duplicates Z: 99 64.453 2.278 0.671 0.640 0.908 0.653 CB 1.651 91 residues pruned to eliminate duplicates Z: 7 8.605 2.117 0.032 0.876 1.000 1.000 CA 1.169 7 residues pruned to eliminate duplicates Z: 12 30.222 2.228 0.651 0.900 1.000 0.909 CB 1.769 12 residues pruned to eliminate duplicates Z: 14 27.451 2.058 0.784 0.854 1.000 0.769 CB 1.531 14 residues pruned to eliminate duplicates Z: 15 20.163 1.946 0.569 0.819 0.929 0.857 CB 1.441 15 residues pruned to eliminate duplicates Z: 18 37.775 2.196 0.724 0.922 1.000 0.941 C 1.701 19 residues pruned to eliminate duplicates Z: 9 16.059 2.309 0.179 0.843 0.875 0.875 CA 1.775 9 residues pruned to eliminate duplicates Z: 18 42.316 2.193 0.996 0.906 0.941 0.882 CB 1.772 18 residues pruned to eliminate duplicates Z: 10 14.738 2.132 0.117 0.913 1.000 0.889 CB 1.460 Z: 11 23.619 2.060 0.626 0.920 1.000 0.800 CB 1.570 10 residues pruned to eliminate duplicates Z: 12 21.521 2.092 0.341 0.892 1.000 0.818 CB 1.661 12 residues pruned to eliminate duplicates Z: 52 32.071 2.183 0.526 0.439 0.922 0.627 CB 1.558 52 residues pruned to eliminate duplicates Z: 22 38.208 2.277 0.530 0.850 1.000 0.810 CA 1.773 22 residues pruned to eliminate duplicates Z: 13 22.337 2.139 0.596 0.825 0.833 0.750 C 1.711 13 residues pruned to eliminate duplicates Z: 104 63.236 2.294 0.600 0.581 0.903 0.592 CB 1.739 104 residues pruned to eliminate duplicates Z: 13 35.882 2.287 0.852 0.873 1.000 0.667 CB 1.781 13 residues pruned to eliminate duplicates Z: 10 18.741 2.029 0.699 0.760 0.889 0.778 CB 1.619 10 residues pruned to eliminate duplicates Z: 10 16.559 1.958 0.298 0.919 1.000 0.889 CB 1.530 10 residues pruned to eliminate duplicates Z: 10 18.663 1.983 0.495 0.868 1.000 0.778 CB 1.534 10 residues pruned to eliminate duplicates Z: 9 15.959 2.217 0.319 0.884 0.875 0.875 CA 1.593 9 residues pruned to eliminate duplicates Z: 14 24.425 1.983 0.603 0.916 1.000 1.000 CB 1.506 14 residues pruned to eliminate duplicates Z: 9 18.103 2.247 0.237 0.842 1.000 0.375 CA 1.715 9 residues pruned to eliminate duplicates Z: 16 47.433 2.455 0.910 0.936 1.000 0.933 C 1.818 17 residues pruned to eliminate duplicates Z: 10 16.458 2.096 0.172 0.899 1.000 0.778 CB 1.596 10 residues pruned to eliminate duplicates Z: 14 21.733 1.984 0.373 0.911 1.000 1.000 CB 1.569 14 residues pruned to eliminate duplicates Z: 12 29.584 2.366 0.486 0.855 1.000 0.818 C 1.873 12 residues pruned to eliminate duplicates Z: 11 22.571 2.160 0.373 0.934 1.000 0.900 CA 1.678 11 residues pruned to eliminate duplicates Z: 10 18.059 2.154 0.348 0.885 0.889 0.889 CB 1.684 10 residues pruned to eliminate duplicates Z: 11 24.911 1.980 0.846 0.932 1.000 0.700 CB 1.505 11 residues pruned to eliminate duplicates Z: 21 42.169 2.250 0.707 0.854 1.000 0.750 C 1.813 21 residues pruned to eliminate duplicates Z: 11 21.298 2.282 0.157 0.883 1.000 0.900 CB 1.845 11 residues pruned to eliminate duplicates Z: 13 31.193 2.234 0.634 0.885 1.000 0.833 CB 1.781 13 residues pruned to eliminate duplicates Z: 10 17.058 2.258 0.414 0.819 0.889 0.778 CA 1.519 10 residues pruned to eliminate duplicates Z: 7 9.928 2.117 0.171 0.716 0.833 0.833 CB 1.613 7 residues pruned to eliminate duplicates Z: 15 20.662 1.872 0.421 0.894 1.000 1.000 CB 1.489 15 residues pruned to eliminate duplicates Z: 12 16.929 1.899 0.312 0.923 1.000 0.909 CB 1.439 12 residues pruned to eliminate duplicates Z: 14 21.517 2.007 0.357 0.886 1.000 0.846 CB 1.582 14 residues pruned to eliminate duplicates Z: 14 34.706 2.182 0.829 0.929 1.000 0.923 CA 1.688 14 residues pruned to eliminate duplicates Z: 9 28.675 2.222 0.826 0.870 1.000 0.875 CB 1.823 9 residues pruned to eliminate duplicates Z: 51 45.735 2.350 0.574 0.566 0.920 0.520 CB 1.782 51 residues pruned to eliminate duplicates Z: 64 54.074 2.320 0.759 0.540 0.905 0.619 CB 1.775 55 residues pruned to eliminate duplicates Z: 86 64.735 2.344 0.566 0.643 0.929 0.612 CB 1.799 86 residues pruned to eliminate duplicates Z: 14 27.012 2.052 0.521 0.898 1.000 0.846 C 1.717 14 residues pruned to eliminate duplicates Z: 11 22.116 2.156 0.377 0.926 1.000 0.900 CB 1.652 11 residues pruned to eliminate duplicates Z: 13 17.216 1.950 0.425 0.870 0.917 0.833 CA 1.425 13 residues pruned to eliminate duplicates Z: 154 91.407 2.366 0.736 0.599 0.928 0.654 CB 1.765 154 residues pruned to eliminate duplicates Z: 12 27.324 2.169 0.516 0.929 1.000 0.909 CB 1.754 12 residues pruned to eliminate duplicates Z: 9 21.428 2.243 0.398 0.909 1.000 0.750 CA 1.715 9 residues pruned to eliminate duplicates Z: 21 33.956 2.270 0.532 0.849 0.950 0.750 CA 1.704 21 residues pruned to eliminate duplicates Z: 20 30.474 2.204 0.594 0.798 0.895 0.789 C 1.713 20 residues pruned to eliminate duplicates Z: 10 17.819 2.217 0.089 0.935 1.000 1.000 CB 1.715 10 residues pruned to eliminate duplicates Z: 45 45.468 2.236 0.698 0.632 1.000 0.659 CB 1.594 45 residues pruned to eliminate duplicates Z: 11 34.285 2.304 0.849 0.923 1.000 0.900 C 1.789 11 residues pruned to eliminate duplicates Z: 20 41.327 2.344 0.640 0.864 1.000 0.842 CA 1.809 20 residues pruned to eliminate duplicates Z: 41 42.234 2.314 0.670 0.600 0.900 0.650 CB 1.745 41 residues pruned to eliminate duplicates Z: 10 14.378 2.124 0.174 0.843 1.000 0.667 CA 1.431 10 residues pruned to eliminate duplicates Z: 12 29.985 2.350 0.506 0.852 1.000 0.818 CB 1.890 12 residues pruned to eliminate duplicates Z: 12 22.226 2.077 0.589 0.869 1.000 0.636 CB 1.483 12 residues pruned to eliminate duplicates Z: 16 38.617 2.390 0.563 0.909 1.000 0.933 CB 1.894 16 residues pruned to eliminate duplicates Z: 20 40.578 2.312 0.715 0.849 0.947 0.684 CA 1.837 20 residues pruned to eliminate duplicates Z: 13 30.982 2.204 0.709 0.890 1.000 1.000 CB 1.708 13 residues pruned to eliminate duplicates Z: 82 59.758 2.323 0.725 0.538 0.914 0.580 CB 1.747 82 residues pruned to eliminate duplicates Z: 20 40.288 2.253 0.701 0.903 1.000 0.947 CA 1.719 20 residues pruned to eliminate duplicates Z: 9 10.370 2.138 0.064 0.745 0.750 0.625 CA 1.726 9 residues pruned to eliminate duplicates Z: 11 25.263 2.095 0.814 0.928 1.000 0.900 CB 1.472 12 residues pruned to eliminate duplicates Z: 9 15.881 2.104 0.381 0.858 0.875 0.750 CA 1.625 9 residues pruned to eliminate duplicates Z: 10 21.463 2.252 0.356 0.908 1.000 1.000 CA 1.665 10 residues pruned to eliminate duplicates Z: 25 37.217 2.235 0.656 0.763 0.917 0.708 CB 1.772 25 residues pruned to eliminate duplicates Z: 15 45.438 2.311 0.904 0.918 1.000 0.929 CA 1.947 16 residues pruned to eliminate duplicates Z: 22 43.668 2.289 0.691 0.843 1.000 0.714 CB 1.833 22 residues pruned to eliminate duplicates Z: 12 12.676 1.762 0.361 0.759 0.909 0.636 C 1.392 12 residues pruned to eliminate duplicates Z: 20 46.309 2.169 1.085 0.862 1.000 0.684 CA 1.724 18 residues pruned to eliminate duplicates Z: 14 32.164 2.173 0.741 0.907 1.000 0.923 CA 1.676 14 residues pruned to eliminate duplicates Z: 17 54.043 2.396 1.083 0.910 1.000 0.875 CA 1.919 20 residues pruned to eliminate duplicates Z: 13 20.196 2.176 0.450 0.843 0.917 0.833 CA 1.501 13 residues pruned to eliminate duplicates Z: 9 10.571 1.908 0.067 0.838 1.000 0.750 CB 1.371 8 residues pruned to eliminate duplicates Z: 17 51.416 2.280 1.064 0.948 1.000 0.938 C 1.886 17 residues pruned to eliminate duplicates Z: 13 21.582 2.118 0.363 0.889 1.000 0.917 CB 1.553 13 residues pruned to eliminate duplicates Z: 18 45.522 2.290 1.086 0.842 0.941 0.765 CB 1.831 18 residues pruned to eliminate duplicates Z: 11 16.603 2.124 0.202 0.923 1.000 0.900 CB 1.445 11 residues pruned to eliminate duplicates Z: 14 23.926 2.083 0.444 0.881 0.923 0.846 C 1.731 14 residues pruned to eliminate duplicates Z: 52 40.990 2.244 0.703 0.579 0.882 0.667 CB 1.577 52 residues pruned to eliminate duplicates Z: 13 29.288 2.087 0.704 0.902 1.000 0.917 CB 1.696 13 residues pruned to eliminate duplicates Z: 57 46.338 2.239 0.715 0.591 0.946 0.679 CB 1.562 57 residues pruned to eliminate duplicates Z: 16 56.846 2.472 1.160 0.934 1.000 0.867 C 1.917 16 residues pruned to eliminate duplicates Z: 24 31.646 2.191 0.576 0.692 1.000 0.739 CB 1.602 24 residues pruned to eliminate duplicates Z: 33 32.516 2.229 0.640 0.591 0.906 0.750 CB 1.590 33 residues pruned to eliminate duplicates Z: 8 15.819 2.073 0.528 0.893 1.000 1.000 CB 1.355 9 residues pruned to eliminate duplicates Z: 13 19.513 2.033 0.495 0.865 0.917 0.833 CB 1.482 13 residues pruned to eliminate duplicates Z: 14 31.437 2.038 0.858 0.882 1.000 0.769 C 1.667 13 residues pruned to eliminate duplicates Z: 9 2.650 1.587 0.119 0.213 0.750 0.500 CB 0.986 Z: 18 26.103 2.201 0.628 0.646 0.941 0.765 CB 1.639 18 residues pruned to eliminate duplicates Z: 11 32.396 2.311 0.629 0.923 1.000 0.700 C 1.913 11 residues pruned to eliminate duplicates Z: 20 44.442 2.387 0.680 0.851 1.000 0.579 CB 1.882 20 residues pruned to eliminate duplicates Z: 17 30.812 2.331 0.419 0.892 1.000 0.875 CB 1.672 17 residues pruned to eliminate duplicates Z: 13 20.527 2.046 0.317 0.915 0.917 0.917 CB 1.695 13 residues pruned to eliminate duplicates Z: 10 24.980 2.337 0.249 0.909 1.000 1.000 CB 2.023 10 residues pruned to eliminate duplicates Z: 14 18.195 1.892 0.550 0.869 1.000 0.846 CB 1.257 14 residues pruned to eliminate duplicates Z: 16 50.779 2.205 1.310 0.920 1.000 0.800 CA 1.813 16 residues pruned to eliminate duplicates Z: 18 57.511 2.416 1.329 0.835 0.941 0.824 C 1.973 18 residues pruned to eliminate duplicates Z: 13 27.233 2.062 0.627 0.906 1.000 0.917 C 1.667 13 residues pruned to eliminate duplicates Z: 71 59.479 2.316 0.837 0.533 0.957 0.600 CB 1.690 71 residues pruned to eliminate duplicates Z: 10 17.356 2.081 0.286 0.875 1.000 0.667 CA 1.572 10 residues pruned to eliminate duplicates Z: 10 16.947 2.070 0.314 0.857 1.000 0.667 CA 1.530 10 residues pruned to eliminate duplicates Z: 13 28.031 2.101 0.689 0.917 1.000 1.000 CB 1.610 13 residues pruned to eliminate duplicates Z: 11 16.232 2.033 0.179 0.924 1.000 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 17 56.358 2.354 1.204 0.917 1.000 0.938 CA 1.916 17 residues pruned to eliminate duplicates Z: 17 31.791 2.370 0.431 0.891 0.938 0.875 CB 1.797 17 residues pruned to eliminate duplicates Z: 24 33.050 2.146 0.625 0.685 1.000 0.696 CB 1.667 24 residues pruned to eliminate duplicates Z: 13 15.049 1.970 0.129 0.923 1.000 0.917 CB 1.373 13 residues pruned to eliminate duplicates Z: 21 37.264 2.284 0.635 0.853 0.900 0.800 CB 1.831 21 residues pruned to eliminate duplicates Z: 21 31.409 2.173 0.710 0.849 0.850 0.700 CA 1.648 21 residues pruned to eliminate duplicates Z: 15 52.567 2.303 1.233 0.939 1.000 0.786 CA 1.898 15 residues pruned to eliminate duplicates Z: 23 37.001 2.169 0.674 0.818 0.955 0.818 C 1.726 23 residues pruned to eliminate duplicates Z: 11 16.998 2.082 0.270 0.774 1.000 0.900 C 1.595 11 residues pruned to eliminate duplicates Z: 25 39.984 2.265 0.652 0.775 1.000 0.625 CA 1.710 25 residues pruned to eliminate duplicates Z: 13 36.134 2.287 1.006 0.839 0.917 0.333 C 1.852 13 residues pruned to eliminate duplicates Z: 10 23.954 2.194 0.552 0.917 1.000 0.778 CB 1.654 10 residues pruned to eliminate duplicates Z: 16 40.341 2.481 0.515 0.931 1.000 0.933 CB 1.937 16 residues pruned to eliminate duplicates Z: 20 44.200 2.369 0.665 0.885 1.000 0.789 CA 1.857 20 residues pruned to eliminate duplicates Z: 18 44.924 2.292 0.860 0.887 1.000 0.824 CA 1.843 18 residues pruned to eliminate duplicates Z: 10 16.777 2.181 0.087 0.911 1.000 1.000 CB 1.672 10 residues pruned to eliminate duplicates Z: 13 24.706 2.042 0.505 0.895 1.000 0.917 CB 1.664 13 residues pruned to eliminate duplicates Z: 7 13.004 2.098 0.190 0.900 1.000 1.000 CB 1.520 7 residues pruned to eliminate duplicates Z: 20 14.143 2.071 0.359 0.494 0.895 0.684 CB 1.297 20 residues pruned to eliminate duplicates Z: 18 50.710 2.367 1.106 0.900 1.000 0.882 CB 1.762 18 residues pruned to eliminate duplicates Z: 21 45.031 2.310 0.718 0.878 1.000 0.800 CA 1.841 21 residues pruned to eliminate duplicates Z: 18 41.834 2.296 0.800 0.858 1.000 0.706 CA 1.808 18 residues pruned to eliminate duplicates Z: 14 24.837 2.188 0.298 0.923 1.000 0.846 CA 1.705 14 residues pruned to eliminate duplicates Z: 55 47.506 2.256 0.691 0.606 0.963 0.722 CB 1.591 55 residues pruned to eliminate duplicates Z: 7 9.196 2.125 -0.134 0.904 1.000 1.000 CB 1.454 7 residues pruned to eliminate duplicates Z: 9 13.682 2.185 0.037 0.876 1.000 0.625 CA 1.553 9 residues pruned to eliminate duplicates Z: 116 73.230 2.327 0.641 0.618 0.939 0.678 CB 1.703 117 residues pruned to eliminate duplicates Z: 11 23.599 2.123 0.533 0.909 1.000 0.800 CA 1.628 11 residues pruned to eliminate duplicates Z: 75 58.129 2.337 0.664 0.592 0.932 0.730 CB 1.707 75 residues pruned to eliminate duplicates Z: 10 15.672 2.110 0.275 0.870 1.000 0.556 CA 1.418 10 residues pruned to eliminate duplicates Z: 20 37.510 2.257 0.603 0.885 0.947 0.632 CA 1.813 20 residues pruned to eliminate duplicates Z: 9 28.462 2.187 0.808 0.897 1.000 0.750 CB 1.822 9 residues pruned to eliminate duplicates Z: 9 18.945 2.109 0.528 0.892 1.000 0.625 CA 1.493 9 residues pruned to eliminate duplicates Z: 18 39.239 2.164 0.856 0.890 1.000 0.882 C 1.705 18 residues pruned to eliminate duplicates Z: 14 22.407 1.961 0.523 0.879 1.000 0.769 CB 1.509 14 residues pruned to eliminate duplicates Z: 13 22.780 2.030 0.524 0.910 1.000 0.917 CB 1.508 13 residues pruned to eliminate duplicates Z: 18 37.395 2.354 0.648 0.883 1.000 0.882 CB 1.691 18 residues pruned to eliminate duplicates Z: 13 19.697 2.040 0.342 0.923 1.000 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 73 45.872 2.176 0.577 0.595 0.944 0.764 CB 1.523 66 residues pruned to eliminate duplicates Z: 11 22.896 2.132 0.463 0.910 1.000 0.700 CB 1.646 11 residues pruned to eliminate duplicates Z: 13 28.650 2.367 0.373 0.938 1.000 1.000 CB 1.770 13 residues pruned to eliminate duplicates Z: 13 22.328 2.075 0.422 0.903 1.000 1.000 CB 1.557 13 residues pruned to eliminate duplicates Z: 13 26.335 2.067 0.639 0.890 1.000 0.917 CB 1.614 13 residues pruned to eliminate duplicates Z: 13 28.585 2.210 0.828 0.869 0.917 0.500 CB 1.628 13 residues pruned to eliminate duplicates Z: 19 10.314 2.066 0.372 0.235 0.833 0.556 CB 1.399 19 residues pruned to eliminate duplicates Z: 20 31.627 2.094 0.779 0.800 0.895 0.789 CA 1.675 20 residues pruned to eliminate duplicates Z: 11 19.237 2.089 0.314 0.923 1.000 0.900 CB 1.557 11 residues pruned to eliminate duplicates Z: 14 28.269 2.010 0.730 0.846 1.000 0.692 C 1.675 14 residues pruned to eliminate duplicates Z: 11 34.737 2.286 0.956 0.918 1.000 0.800 C 1.733 11 residues pruned to eliminate duplicates Z: 20 42.894 2.238 0.747 0.913 1.000 0.789 C 1.782 20 residues pruned to eliminate duplicates Z: 173 78.445 2.309 0.592 0.544 0.936 0.663 CB 1.666 72 residues pruned to eliminate duplicates Z: 46 48.917 2.272 0.729 0.629 1.000 0.667 CB 1.644 46 residues pruned to eliminate duplicates Z: 8 29.695 2.323 0.887 0.857 1.000 1.000 CB 1.886 8 residues pruned to eliminate duplicates Z: 14 39.770 2.343 0.824 0.900 1.000 0.846 C 1.844 14 residues pruned to eliminate duplicates Z: 8 12.843 2.202 0.570 0.551 0.857 0.857 CA 1.558 8 residues pruned to eliminate duplicates Z: 41 34.896 2.156 0.575 0.547 0.975 0.675 CB 1.592 41 residues pruned to eliminate duplicates Z: 10 14.013 2.156 0.290 0.870 0.778 0.778 CA 1.576 10 residues pruned to eliminate duplicates Z: 11 25.529 2.120 0.619 0.915 1.000 0.900 CA 1.662 11 residues pruned to eliminate duplicates Z: 15 16.307 2.186 0.565 0.466 0.929 0.714 CB 1.421 15 residues pruned to eliminate duplicates Z: 12 15.612 1.901 0.319 0.918 1.000 0.909 CB 1.325 11 residues pruned to eliminate duplicates Z: 14 20.073 2.069 0.365 0.831 1.000 0.846 CB 1.481 14 residues pruned to eliminate duplicates Z: 17 39.665 2.258 0.726 0.926 1.000 1.000 CB 1.785 17 residues pruned to eliminate duplicates Z: 14 19.096 2.082 0.466 0.816 0.923 0.846 CB 1.429 14 residues pruned to eliminate duplicates Z: 36 44.499 2.240 0.761 0.670 0.971 0.686 CB 1.677 27 residues pruned to eliminate duplicates Z: 22 23.667 1.988 0.786 0.728 0.952 0.714 CB 1.243 22 residues pruned to eliminate duplicates Z: 13 37.871 2.226 0.996 0.930 1.000 1.000 CB 1.721 13 residues pruned to eliminate duplicates Z: 13 19.039 1.991 0.427 0.902 1.000 0.833 CB 1.380 13 residues pruned to eliminate duplicates Z: 15 17.380 1.800 0.391 0.900 1.000 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 22 43.115 2.240 0.750 0.866 1.000 0.714 CB 1.758 22 residues pruned to eliminate duplicates Z: 98 68.019 2.299 0.689 0.667 0.938 0.670 CB 1.625 98 residues pruned to eliminate duplicates Z: 36 46.186 2.336 0.619 0.661 0.971 0.686 CB 1.830 36 residues pruned to eliminate duplicates Z: 15 22.468 1.877 0.461 0.912 1.000 0.857 C 1.552 15 residues pruned to eliminate duplicates Z: 12 16.603 1.999 0.382 0.902 0.909 0.909 CB 1.422 12 residues pruned to eliminate duplicates Z: 6 4.709 1.580 0.490 0.472 0.800 0.600 C 1.151 6 residues pruned to eliminate duplicates Z: 9 12.669 2.069 -0.062 0.808 1.000 0.625 CA 1.764 9 residues pruned to eliminate duplicates Z: 13 16.128 1.963 0.085 0.931 1.000 0.917 CB 1.527 13 residues pruned to eliminate duplicates Z: 9 26.343 2.391 0.744 0.839 1.000 0.875 CA 1.667 9 residues pruned to eliminate duplicates Z: 62 58.161 2.316 0.655 0.652 0.967 0.639 CB 1.744 62 residues pruned to eliminate duplicates Z: 11 7.770 2.097 0.618 0.405 0.800 0.600 CB 1.000 Z: 60 42.204 2.299 0.476 0.602 0.831 0.644 CB 1.770 48 residues pruned to eliminate duplicates Z: 25 25.201 2.070 0.699 0.547 0.875 0.708 CB 1.596 25 residues pruned to eliminate duplicates Z: 17 15.876 2.050 0.253 0.634 0.938 0.875 CB 1.454 17 residues pruned to eliminate duplicates Z: 14 9.038 2.088 0.591 0.438 0.923 0.692 CB 0.872 11 residues pruned to eliminate duplicates Z: 17 29.521 2.344 0.413 0.888 0.938 0.875 CB 1.713 17 residues pruned to eliminate duplicates Z: 12 21.051 2.132 0.694 0.609 0.909 0.727 CB 1.743 12 residues pruned to eliminate duplicates Z: 13 25.008 2.054 0.628 0.901 1.000 0.917 C 1.541 13 residues pruned to eliminate duplicates Z: 13 10.709 1.925 0.588 0.495 0.750 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 13 29.402 2.076 0.929 0.893 0.917 0.667 CB 1.659 13 residues pruned to eliminate duplicates Z: 17 9.211 1.919 0.461 0.434 0.875 0.500 CB 1.005 15 residues pruned to eliminate duplicates Z: 17 33.401 2.366 0.421 0.907 1.000 0.938 C 1.765 17 residues pruned to eliminate duplicates Z: 18 49.418 2.307 1.124 0.860 1.000 0.941 CA 1.799 18 residues pruned to eliminate duplicates Z: 20 37.528 2.259 0.649 0.882 0.947 0.789 C 1.765 Z: 6 4.571 1.873 0.089 0.431 1.000 1.000 CB 1.077 6 residues pruned to eliminate duplicates Z: 17 45.072 2.384 0.784 0.916 1.000 0.938 CB 1.872 17 residues pruned to eliminate duplicates Z: 12 43.000 2.324 1.043 0.938 1.000 0.727 CA 1.899 12 residues pruned to eliminate duplicates Z: 13 22.712 2.023 0.472 0.938 1.000 1.000 CB 1.532 13 residues pruned to eliminate duplicates Z: 14 17.678 1.862 0.433 0.885 1.000 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 38 36.740 2.171 0.779 0.708 0.838 0.703 CB 1.545 38 residues pruned to eliminate duplicates Z: 17 18.470 2.106 0.672 0.480 0.812 0.438 CA 1.648 17 residues pruned to eliminate duplicates Z: 11 12.069 1.893 0.237 0.802 0.900 0.600 CA 1.392 11 residues pruned to eliminate duplicates Z: 12 25.293 2.120 0.678 0.922 1.000 0.727 CB 1.508 12 residues pruned to eliminate duplicates Z: 13 15.774 2.026 0.132 0.914 1.000 1.000 CB 1.405 13 residues pruned to eliminate duplicates Z: 77 61.618 2.277 0.725 0.663 0.908 0.671 CB 1.705 77 residues pruned to eliminate duplicates Z: 11 13.302 1.983 0.003 0.923 1.000 1.000 CB 1.487 11 residues pruned to eliminate duplicates Z: 10 16.497 1.967 0.396 0.915 1.000 0.778 CB 1.415 10 residues pruned to eliminate duplicates Z: 17 35.128 2.318 0.578 0.915 1.000 0.812 CB 1.697 17 residues pruned to eliminate duplicates Z: 6 2.457 1.497 0.561 0.341 0.600 0.400 CA 0.932 6 residues pruned to eliminate duplicates Z: 18 14.061 2.006 0.105 0.594 1.000 0.882 CB 1.406 18 residues pruned to eliminate duplicates Z: 17 11.774 2.029 0.554 0.376 0.875 0.562 CB 1.219 17 residues pruned to eliminate duplicates Z: 8 13.964 2.122 0.132 0.910 1.000 1.000 CB 1.559 8 residues pruned to eliminate duplicates Z: 21 41.758 2.271 0.648 0.878 1.000 0.800 CB 1.810 21 residues pruned to eliminate duplicates Z: 13 15.724 2.093 0.881 0.405 0.917 0.667 CB 1.391 13 residues pruned to eliminate duplicates Z: 73 57.227 2.368 0.616 0.588 0.958 0.764 CB 1.690 73 residues pruned to eliminate duplicates Z: 17 41.878 2.245 0.832 0.923 1.000 0.812 CA 1.789 17 residues pruned to eliminate duplicates Z: 7 9.961 1.939 0.774 0.646 0.833 0.500 CB 1.239 7 residues pruned to eliminate duplicates Z: 10 30.513 2.295 0.706 0.924 1.000 0.889 C 1.825 10 residues pruned to eliminate duplicates Z: 46 42.189 2.291 0.522 0.611 0.911 0.556 CB 1.782 66 residues pruned to eliminate duplicates Z: 19 18.216 2.018 0.389 0.550 0.944 0.833 CB 1.544 19 residues pruned to eliminate duplicates Z: 11 25.841 2.137 0.657 0.907 1.000 0.800 CB 1.641 11 residues pruned to eliminate duplicates Z: 18 33.301 2.229 0.493 0.916 1.000 0.882 CA 1.714 18 residues pruned to eliminate duplicates Z: 25 39.557 2.194 0.659 0.783 1.000 0.500 CB 1.729 25 residues pruned to eliminate duplicates Z: 17 42.934 2.447 0.703 0.863 1.000 0.688 CB 1.891 17 residues pruned to eliminate duplicates Z: 13 25.765 2.335 0.355 0.757 1.000 0.833 C 1.870 13 residues pruned to eliminate duplicates Z: 12 9.019 2.001 0.405 0.371 0.818 0.364 CB 1.357 12 residues pruned to eliminate duplicates Z: 25 33.244 2.174 0.419 0.786 1.000 0.750 CB 1.711 25 residues pruned to eliminate duplicates Z: 12 18.095 2.030 0.312 0.898 1.000 0.909 CB 1.464 12 residues pruned to eliminate duplicates Z: 37 40.292 2.220 0.876 0.701 0.889 0.722 CB 1.510 37 residues pruned to eliminate duplicates Z: 18 47.759 2.303 1.136 0.884 0.941 0.706 C 1.806 18 residues pruned to eliminate duplicates Z: 6 5.675 1.525 0.608 0.591 1.000 0.800 N 0.948 6 residues pruned to eliminate duplicates Z: 21 33.617 2.266 0.294 0.903 1.000 0.750 C 1.827 21 residues pruned to eliminate duplicates Z: 6 4.806 2.107 -0.065 0.451 1.000 0.800 CB 1.148 6 residues pruned to eliminate duplicates Z: 13 18.336 2.006 0.234 0.884 1.000 0.917 CB 1.545 13 residues pruned to eliminate duplicates Z: 12 24.230 1.983 0.768 0.919 1.000 0.636 CB 1.468 12 residues pruned to eliminate duplicates Z: 12 26.331 2.291 0.507 0.848 0.909 0.818 C 1.877 12 residues pruned to eliminate duplicates Z: 14 24.289 2.137 0.561 0.741 0.923 0.615 CB 1.763 14 residues pruned to eliminate duplicates Z: 38 22.845 2.084 0.482 0.470 0.865 0.541 CB 1.450 38 residues pruned to eliminate duplicates Z: 12 17.989 2.147 0.179 0.931 1.000 1.000 CB 1.496 12 residues pruned to eliminate duplicates Z: 26 34.532 2.125 0.579 0.763 1.000 0.600 CB 1.629 26 residues pruned to eliminate duplicates Z: 13 22.920 2.060 0.515 0.890 1.000 0.833 CB 1.525 13 residues pruned to eliminate duplicates Z: 8 9.835 1.970 0.143 0.761 0.857 0.714 C 1.527 8 residues pruned to eliminate duplicates Z: 11 18.846 1.952 0.555 0.901 1.000 0.800 CB 1.402 11 residues pruned to eliminate duplicates Z: 13 22.841 2.070 0.529 0.872 1.000 0.917 CB 1.519 13 residues pruned to eliminate duplicates Z: 29 26.565 2.145 0.670 0.622 0.893 0.750 CB 1.399 45 residues pruned to eliminate duplicates Z: 21 21.674 2.086 0.591 0.513 0.850 0.600 CB 1.697 21 residues pruned to eliminate duplicates Z: 46 37.844 2.219 0.540 0.603 0.956 0.622 CB 1.566 46 residues pruned to eliminate duplicates Z: 13 21.939 2.204 0.191 0.918 1.000 1.000 CA 1.702 13 residues pruned to eliminate duplicates Z: 22 18.748 2.046 0.616 0.510 0.857 0.667 CB 1.430 22 residues pruned to eliminate duplicates Z: 15 9.046 2.013 0.340 0.461 0.857 0.714 CB 1.089 Z: 15 20.573 1.838 0.549 0.928 1.000 0.857 CA 1.353 15 residues pruned to eliminate duplicates Z: 46 38.904 2.207 0.555 0.636 0.978 0.667 CB 1.522 46 residues pruned to eliminate duplicates Z: 19 15.654 2.043 0.428 0.530 0.778 0.611 CB 1.579 19 residues pruned to eliminate duplicates Z: 14 31.583 2.372 0.350 0.932 1.000 1.000 CB 1.911 14 residues pruned to eliminate duplicates Z: 12 19.335 2.117 0.287 0.829 0.909 0.909 CB 1.770 12 residues pruned to eliminate duplicates Z: 40 43.723 2.305 0.784 0.579 0.897 0.692 CB 1.757 40 residues pruned to eliminate duplicates Z: 11 24.617 2.101 0.685 0.861 1.000 0.900 CB 1.616 11 residues pruned to eliminate duplicates Z: 11 12.768 2.009 0.566 0.715 0.700 0.500 CA 1.508 11 residues pruned to eliminate duplicates Z: 8 11.435 1.994 0.285 0.880 1.000 0.857 CB 1.222 8 residues pruned to eliminate duplicates Z: 21 24.681 2.270 0.618 0.528 0.900 0.550 CB 1.624 21 residues pruned to eliminate duplicates Z: 36 35.805 2.222 0.662 0.703 0.914 0.686 CB 1.490 36 residues pruned to eliminate duplicates Z: 13 21.825 2.040 0.454 0.873 1.000 0.917 CB 1.547 13 residues pruned to eliminate duplicates Z: 14 8.999 2.091 0.415 0.437 0.846 0.538 CB 1.065 14 residues pruned to eliminate duplicates Z: 13 38.471 2.243 1.055 0.883 1.000 0.667 CB 1.742 13 residues pruned to eliminate duplicates Z: 17 44.970 2.426 0.868 0.864 1.000 0.938 CB 1.818 17 residues pruned to eliminate duplicates Z: 12 24.410 2.043 0.784 0.703 1.000 0.727 CB 1.678 12 residues pruned to eliminate duplicates Z: 18 26.076 2.175 0.435 0.689 1.000 0.647 CB 1.704 18 residues pruned to eliminate duplicates Z: 43 41.745 2.212 0.766 0.677 0.905 0.738 CB 1.548 43 residues pruned to eliminate duplicates Z: 11 12.952 1.826 0.435 0.843 0.800 0.600 CA 1.456 11 residues pruned to eliminate duplicates Z: 11 9.243 2.143 0.258 0.300 1.000 0.600 CB 1.355 11 residues pruned to eliminate duplicates Z: 12 27.871 2.146 0.717 0.826 1.000 0.818 CB 1.720 12 residues pruned to eliminate duplicates Z: 15 22.653 1.857 0.529 0.883 1.000 0.857 CB 1.542 15 residues pruned to eliminate duplicates Z: 8 14.885 2.092 0.510 0.858 1.000 0.571 CB 1.311 8 residues pruned to eliminate duplicates Z: 40 40.234 2.254 0.654 0.629 0.974 0.692 CB 1.571 40 residues pruned to eliminate duplicates Z: 24 14.858 2.002 0.616 0.355 0.826 0.435 CB 1.356 24 residues pruned to eliminate duplicates Z: 93 55.248 2.285 0.701 0.496 0.902 0.641 CB 1.650 93 residues pruned to eliminate duplicates Z: 17 39.091 2.299 0.794 0.905 1.000 0.812 CB 1.686 17 residues pruned to eliminate duplicates Z: 13 10.542 1.943 0.306 0.634 0.833 0.583 CB 1.268 13 residues pruned to eliminate duplicates Z: 18 40.513 2.253 0.769 0.877 1.000 0.824 CB 1.791 18 residues pruned to eliminate duplicates Z: 13 32.974 2.328 0.586 0.918 1.000 1.000 C 1.819 13 residues pruned to eliminate duplicates Z: 11 27.352 2.195 0.551 0.871 1.000 0.900 C 1.854 11 residues pruned to eliminate duplicates Z: 9 14.375 2.000 0.616 0.893 1.000 0.875 CB 1.129 9 residues pruned to eliminate duplicates Z: 47 27.754 2.076 0.434 0.528 0.891 0.587 CB 1.499 34 residues pruned to eliminate duplicates Z: 60 53.572 2.310 0.816 0.531 0.915 0.610 CB 1.762 60 residues pruned to eliminate duplicates Z: 24 25.192 2.134 0.573 0.577 0.957 0.783 CB 1.518 24 residues pruned to eliminate duplicates Z: 39 32.063 2.200 0.615 0.537 0.921 0.632 CB 1.533 39 residues pruned to eliminate duplicates Z: 10 14.573 2.008 0.133 0.868 1.000 0.889 CB 1.561 10 residues pruned to eliminate duplicates Z: 38 54.188 2.351 1.060 0.576 0.946 0.486 CB 1.807 38 residues pruned to eliminate duplicates Z: 6 10.453 1.925 0.856 0.630 0.800 0.600 C 1.447 6 residues pruned to eliminate duplicates Z: 17 43.546 2.319 0.935 0.893 1.000 0.812 C 1.742 17 residues pruned to eliminate duplicates Z: 52 41.857 2.246 0.647 0.613 0.902 0.647 CB 1.579 52 residues pruned to eliminate duplicates Z: 9 12.064 1.844 0.475 0.892 1.000 0.750 CB 1.126 9 residues pruned to eliminate duplicates Z: 76 47.112 2.241 0.589 0.586 0.907 0.627 CB 1.551 76 residues pruned to eliminate duplicates Z: 8 16.654 2.268 0.254 0.856 1.000 0.857 CA 1.633 8 residues pruned to eliminate duplicates Z: 14 8.303 1.909 0.158 0.469 0.923 0.462 CB 1.165 29 residues pruned to eliminate duplicates Z: 38 34.889 2.312 0.637 0.516 0.919 0.649 CB 1.624 38 residues pruned to eliminate duplicates Z: 26 46.434 2.364 0.921 0.745 0.880 0.800 CB 1.867 26 residues pruned to eliminate duplicates Z: 17 46.905 2.379 0.911 0.920 1.000 1.000 CB 1.817 17 residues pruned to eliminate duplicates Z: 45 53.540 2.298 0.846 0.636 0.955 0.591 CB 1.754 43 residues pruned to eliminate duplicates Z: 9 12.756 1.985 0.104 0.873 1.000 0.500 CB 1.499 9 residues pruned to eliminate duplicates Z: 86 75.469 2.389 0.731 0.656 0.929 0.694 CB 1.843 86 residues pruned to eliminate duplicates Z: 14 7.834 1.935 0.463 0.367 0.846 0.692 CB 1.046 Z: 13 25.536 2.073 0.576 0.877 1.000 0.833 CB 1.638 13 residues pruned to eliminate duplicates Z: 12 34.061 2.320 0.724 0.882 1.000 1.000 CB 1.857 12 residues pruned to eliminate duplicates Z: 83 57.457 2.270 0.536 0.650 0.951 0.707 CB 1.663 83 residues pruned to eliminate duplicates Z: 43 48.790 2.385 0.654 0.608 1.000 0.714 CB 1.722 43 residues pruned to eliminate duplicates Z: 18 47.851 2.279 0.945 0.868 1.000 0.765 CA 1.914 18 residues pruned to eliminate duplicates Z: 13 14.999 2.039 0.313 0.642 0.917 0.667 CB 1.545 13 residues pruned to eliminate duplicates Z: 28 47.738 2.337 0.879 0.691 0.926 0.741 CB 1.897 28 residues pruned to eliminate duplicates Z: 64 48.003 2.322 0.501 0.602 0.905 0.651 CB 1.741 64 residues pruned to eliminate duplicates Z: 22 36.610 2.164 0.601 0.829 1.000 0.571 CB 1.736 22 residues pruned to eliminate duplicates Z: 10 14.412 2.051 0.129 0.887 1.000 1.000 CA 1.496 10 residues pruned to eliminate duplicates Z: 53 43.994 2.327 0.547 0.560 0.904 0.519 CB 1.770 53 residues pruned to eliminate duplicates Z: 11 20.870 1.934 0.640 0.844 1.000 0.700 CB 1.548 12 residues pruned to eliminate duplicates Z: 11 21.467 2.200 0.712 0.766 0.900 0.800 CB 1.582 11 residues pruned to eliminate duplicates Z: 8 17.321 2.302 0.141 0.898 1.000 1.000 CB 1.783 8 residues pruned to eliminate duplicates Z: 6 5.116 1.556 0.453 0.749 0.600 0.400 O 1.350 Z: 11 18.032 2.069 0.274 0.881 1.000 0.900 CB 1.566 11 residues pruned to eliminate duplicates Z: 13 27.134 2.053 0.848 0.900 1.000 0.833 CB 1.475 13 residues pruned to eliminate duplicates Z: 98 75.028 2.260 0.793 0.685 0.969 0.629 CB 1.637 98 residues pruned to eliminate duplicates Z: 15 25.586 2.268 0.388 0.736 1.000 0.929 CB 1.757 15 residues pruned to eliminate duplicates Z: 10 12.867 1.986 0.679 0.480 0.889 0.778 CB 1.476 10 residues pruned to eliminate duplicates Z: 9 12.895 2.119 0.658 0.529 0.875 0.625 C 1.441 9 residues pruned to eliminate duplicates Z: 19 13.257 2.020 0.324 0.433 0.889 0.444 CB 1.410 19 residues pruned to eliminate duplicates Z: 18 17.054 2.124 0.761 0.371 0.882 0.588 CB 1.438 18 residues pruned to eliminate duplicates Z: 17 41.972 2.391 0.717 0.919 1.000 1.000 C 1.801 17 residues pruned to eliminate duplicates Z: 9 6.186 1.624 0.210 0.772 0.875 0.500 C 1.000 9 residues pruned to eliminate duplicates Z: 14 13.742 1.981 0.052 0.842 0.923 0.846 CB 1.476 14 residues pruned to eliminate duplicates Z: 14 25.697 2.369 0.072 0.950 1.000 1.000 CA 1.936 14 residues pruned to eliminate duplicates Z: 50 46.596 2.126 0.833 0.579 0.980 0.776 CB 1.616 50 residues pruned to eliminate duplicates Z: 69 56.223 2.338 0.680 0.624 0.882 0.632 CB 1.751 69 residues pruned to eliminate duplicates Z: 22 27.154 1.995 0.585 0.822 0.905 0.810 CB 1.566 22 residues pruned to eliminate duplicates Z: 8 4.544 1.680 0.240 0.401 0.857 0.714 CB 1.068 8 residues pruned to eliminate duplicates Z: 14 20.430 1.932 0.410 0.890 1.000 0.846 C 1.496 14 residues pruned to eliminate duplicates Z: 46 40.094 2.237 0.723 0.586 0.911 0.622 CB 1.567 46 residues pruned to eliminate duplicates Z: 34 34.116 2.288 0.443 0.576 0.909 0.606 CB 1.838 34 residues pruned to eliminate duplicates Z: 39 35.847 2.289 0.711 0.455 0.947 0.605 CB 1.641 39 residues pruned to eliminate duplicates Z: 84 53.801 2.233 0.570 0.622 0.928 0.627 CB 1.619 84 residues pruned to eliminate duplicates Z: 23 32.225 2.362 0.690 0.586 0.864 0.727 CB 1.835 23 residues pruned to eliminate duplicates Z: 23 38.507 2.148 0.699 0.877 0.955 0.682 CB 1.712 23 residues pruned to eliminate duplicates Z: 21 33.802 2.319 0.984 0.569 0.900 0.750 C 1.708 21 residues pruned to eliminate duplicates Z: 99 63.369 2.309 0.539 0.611 0.918 0.643 CB 1.766 99 residues pruned to eliminate duplicates Z: 74 44.922 2.216 0.636 0.542 0.849 0.589 CB 1.638 74 residues pruned to eliminate duplicates Z: 8 13.640 2.070 0.550 0.866 1.000 0.571 CB 1.176 8 residues pruned to eliminate duplicates Z: 22 43.481 2.311 0.641 0.849 1.000 0.762 CA 1.854 22 residues pruned to eliminate duplicates Z: 13 16.398 1.917 0.419 0.734 0.917 0.750 C 1.539 13 residues pruned to eliminate duplicates Z: 10 25.687 1.946 0.972 0.859 1.000 0.667 CA 1.643 10 residues pruned to eliminate duplicates Z: 9 18.364 2.138 0.228 0.882 1.000 0.875 CA 1.789 9 residues pruned to eliminate duplicates Z: 8 5.181 1.386 0.504 0.567 1.000 0.714 CB 0.881 Z: 12 15.788 1.871 0.603 0.567 0.909 0.727 CB 1.637 12 residues pruned to eliminate duplicates Z: 98 69.859 2.266 0.725 0.678 0.928 0.722 CB 1.660 98 residues pruned to eliminate duplicates Z: 14 25.142 2.019 0.731 0.842 1.000 0.846 CB 1.487 14 residues pruned to eliminate duplicates Z: 8 8.713 1.790 0.613 0.747 0.714 0.571 CA 1.280 8 residues pruned to eliminate duplicates Z: 25 33.845 2.161 0.685 0.638 1.000 0.708 CB 1.666 25 residues pruned to eliminate duplicates Z: 9 12.359 1.949 0.528 0.894 1.000 0.750 CB 1.053 9 residues pruned to eliminate duplicates Z: 33 18.339 2.011 0.455 0.494 0.906 0.625 CB 1.230 33 residues pruned to eliminate duplicates Z: 36 52.068 2.261 0.961 0.664 0.971 0.543 CB 1.755 36 residues pruned to eliminate duplicates Z: 16 30.878 2.210 0.438 0.930 1.000 1.000 CA 1.755 16 residues pruned to eliminate duplicates Z: 23 33.894 2.165 0.949 0.652 0.864 0.727 CB 1.722 23 residues pruned to eliminate duplicates Z: 21 36.851 2.216 0.683 0.889 0.950 0.750 CA 1.675 21 residues pruned to eliminate duplicates Z: 10 15.001 2.067 0.233 0.789 0.889 0.889 CA 1.713 10 residues pruned to eliminate duplicates Z: 11 20.064 2.118 0.542 0.934 1.000 0.900 CB 1.354 11 residues pruned to eliminate duplicates Z: 15 29.050 2.153 0.548 0.882 1.000 0.714 CB 1.686 15 residues pruned to eliminate duplicates Z: 11 5.173 1.653 0.410 0.367 0.800 0.500 CB 1.011 11 residues pruned to eliminate duplicates Z: 19 36.358 2.161 0.776 0.866 1.000 0.667 CA 1.635 19 residues pruned to eliminate duplicates Z: 17 10.049 1.923 0.361 0.513 0.875 0.750 CB 1.082 14 residues pruned to eliminate duplicates Z: 64 34.891 2.111 0.422 0.552 0.921 0.619 CB 1.511 64 residues pruned to eliminate duplicates Z: 10 7.332 2.001 0.372 0.296 0.889 0.778 CB 1.258 10 residues pruned to eliminate duplicates Z: 68 49.651 2.254 0.684 0.586 0.881 0.612 CB 1.671 68 residues pruned to eliminate duplicates Z: 11 23.429 2.262 0.834 0.572 0.900 0.700 CA 1.852 11 residues pruned to eliminate duplicates Z: 37 26.518 2.125 0.443 0.541 0.917 0.583 CB 1.511 37 residues pruned to eliminate duplicates Z: 13 12.251 1.702 0.850 0.792 0.667 0.167 CB 1.304 13 residues pruned to eliminate duplicates Z: 6 3.319 1.380 0.560 0.708 0.800 0.600 CB 0.714 Z: 16 50.919 2.171 1.355 0.937 1.000 0.800 CA 1.790 16 residues pruned to eliminate duplicates Z: 26 30.273 2.113 0.462 0.763 0.960 0.680 CB 1.616 26 residues pruned to eliminate duplicates Z: 21 31.805 2.184 0.834 0.623 0.950 0.650 CA 1.664 21 residues pruned to eliminate duplicates Z: 8 12.323 2.085 0.311 0.832 1.000 0.571 CB 1.279 8 residues pruned to eliminate duplicates Z: 119 70.089 2.316 0.573 0.624 0.898 0.610 CB 1.754 222 residues pruned to eliminate duplicates Z: 8 3.716 1.380 0.068 0.408 1.000 0.714 N 1.049 Z: 15 13.514 2.049 -0.083 0.724 1.000 1.000 CB 1.571 15 residues pruned to eliminate duplicates Z: 67 54.080 2.350 0.723 0.529 0.939 0.712 CB 1.701 67 residues pruned to eliminate duplicates Z: 106 70.462 2.353 0.785 0.547 0.914 0.610 CB 1.711 106 residues pruned to eliminate duplicates Z: 98 68.291 2.312 0.966 0.501 0.907 0.577 CB 1.679 98 residues pruned to eliminate duplicates Z: 7 5.036 1.711 0.230 0.566 0.833 0.667 N 1.100 Z: 117 75.022 2.327 0.712 0.585 0.905 0.612 CB 1.781 116 residues pruned to eliminate duplicates Z: 10 11.440 1.954 -0.041 0.817 1.000 0.889 CB 1.544 10 residues pruned to eliminate duplicates Z: 16 48.638 2.174 1.283 0.934 1.000 0.867 CA 1.765 Z: 13 17.235 1.926 0.407 0.873 1.000 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 18 24.351 2.161 0.412 0.642 1.000 0.882 CA 1.695 18 residues pruned to eliminate duplicates Z: 17 14.457 1.937 0.693 0.360 0.875 0.625 CB 1.464 17 residues pruned to eliminate duplicates 6 0.423 1.179 0.370 0.602 1.000 0.600 CB 0.106 ? Z: 18 30.624 2.244 0.880 0.819 0.882 0.765 CB 1.513 18 residues pruned to eliminate duplicates Z: 11 14.915 2.065 0.437 0.836 0.900 0.700 CB 1.322 Z: 21 41.590 2.183 1.059 0.659 1.000 0.700 C 1.784 21 residues pruned to eliminate duplicates Z: 17 47.303 2.285 1.023 0.922 1.000 0.750 CA 1.799 17 residues pruned to eliminate duplicates Z: 17 55.879 2.467 1.176 0.883 1.000 0.750 C 1.882 17 residues pruned to eliminate duplicates Z: 37 33.738 2.213 0.656 0.500 0.944 0.694 CB 1.625 37 residues pruned to eliminate duplicates Z: 16 12.531 1.969 -0.094 0.743 1.000 0.933 CB 1.459 16 residues pruned to eliminate duplicates Z: 7 13.447 1.736 0.620 0.879 1.000 1.000 CB 1.416 6 residues pruned to eliminate duplicates 11 1.916 1.339 0.168 0.191 0.700 0.400 CB 0.801 ? Z: 74 39.417 2.150 0.448 0.580 0.932 0.685 CB 1.474 74 residues pruned to eliminate duplicates Z: 50 58.471 2.292 0.841 0.660 0.939 0.755 CB 1.818 16 residues pruned to eliminate duplicates Z: 47 46.466 2.355 0.741 0.575 0.935 0.652 CB 1.663 47 residues pruned to eliminate duplicates Z: 11 15.747 2.305 0.517 0.333 1.000 0.700 CA 1.709 12 residues pruned to eliminate duplicates Z: 30 45.476 2.351 0.955 0.635 0.931 0.690 CB 1.738 30 residues pruned to eliminate duplicates Z: 8 10.763 1.857 0.640 0.747 1.000 0.429 CB 1.071 8 residues pruned to eliminate duplicates Z: 45 30.598 2.093 0.594 0.614 0.886 0.682 CB 1.401 18 residues pruned to eliminate duplicates Z: 38 45.017 2.342 0.784 0.596 0.892 0.541 CB 1.813 39 residues pruned to eliminate duplicates Z: 10 14.081 1.881 0.250 0.860 1.000 0.556 CA 1.469 10 residues pruned to eliminate duplicates Z: 51 48.952 2.337 0.579 0.610 0.940 0.660 CB 1.798 51 residues pruned to eliminate duplicates Z: 46 40.736 2.278 0.576 0.613 0.911 0.733 CB 1.667 46 residues pruned to eliminate duplicates Z: 8 19.234 2.226 0.655 0.758 0.857 0.857 CA 1.831 8 residues pruned to eliminate duplicates Z: 41 45.464 2.301 0.819 0.584 0.900 0.675 CB 1.759 41 residues pruned to eliminate duplicates Z: 24 10.684 1.908 0.417 0.335 0.783 0.478 CB 1.260 24 residues pruned to eliminate duplicates Z: 26 37.594 2.197 0.557 0.797 0.960 0.760 CA 1.765 26 residues pruned to eliminate duplicates Z: 25 7.204 1.676 0.410 0.273 0.833 0.500 CB 0.966 25 residues pruned to eliminate duplicates Z: 11 17.648 2.005 0.563 0.857 0.900 0.800 C 1.459 11 residues pruned to eliminate duplicates Z: 49 27.096 2.187 0.496 0.465 0.875 0.604 CB 1.417 49 residues pruned to eliminate duplicates Z: 8 8.297 2.054 0.561 0.461 0.857 0.714 CA 1.187 8 residues pruned to eliminate duplicates Z: 13 9.509 1.985 0.571 0.526 0.833 0.667 CB 1.029 13 residues pruned to eliminate duplicates Z: 18 51.108 2.289 1.120 0.888 1.000 0.706 CA 1.841 18 residues pruned to eliminate duplicates Z: 42 48.473 2.333 0.742 0.612 0.951 0.683 CB 1.761 42 residues pruned to eliminate duplicates Z: 14 25.155 1.967 0.579 0.898 1.000 0.923 CB 1.607 15 residues pruned to eliminate duplicates Z: 24 25.668 2.200 0.706 0.499 0.870 0.522 CB 1.642 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 111 75.034 2.325 0.662 0.622 0.936 0.627 CB 1.762 111 residues pruned to eliminate duplicates Z: 48 45.461 2.360 0.559 0.587 0.915 0.553 CB 1.811 48 residues pruned to eliminate duplicates Z: 100 71.548 2.330 0.622 0.641 0.929 0.646 CB 1.795 100 residues pruned to eliminate duplicates Z: 11 16.203 1.967 0.432 0.783 1.000 0.700 CB 1.418 11 residues pruned to eliminate duplicates Z: 100 56.613 2.279 0.551 0.537 0.929 0.586 CB 1.671 100 residues pruned to eliminate duplicates Z: 12 16.327 2.093 0.765 0.548 0.727 0.545 CB 1.748 12 residues pruned to eliminate duplicates Z: 84 66.067 2.360 0.595 0.639 0.952 0.639 CB 1.777 84 residues pruned to eliminate duplicates Z: 99 75.714 2.368 0.769 0.611 0.908 0.571 CB 1.809 99 residues pruned to eliminate duplicates Z: 100 74.404 2.314 0.654 0.646 0.929 0.636 CB 1.834 100 residues pruned to eliminate duplicates Z: 100 74.520 2.317 0.725 0.650 0.919 0.657 CB 1.771 100 residues pruned to eliminate duplicates Z: 112 71.076 2.308 0.690 0.586 0.919 0.595 CB 1.734 112 residues pruned to eliminate duplicates Z: 99 76.002 2.334 0.649 0.657 0.949 0.663 CB 1.816 99 residues pruned to eliminate duplicates Z: 51 45.339 2.358 0.527 0.580 0.920 0.540 CB 1.791 51 residues pruned to eliminate duplicates Z: 43 45.602 2.339 0.549 0.616 0.952 0.619 CB 1.828 43 residues pruned to eliminate duplicates Z: 111 70.498 2.305 0.624 0.590 0.936 0.618 CB 1.760 111 residues pruned to eliminate duplicates Z: 115 73.509 2.325 0.640 0.620 0.930 0.719 CB 1.734 115 residues pruned to eliminate duplicates Z: 8 7.549 1.702 0.241 0.487 1.000 0.429 CA 1.369 8 residues pruned to eliminate duplicates Z: 53 43.266 2.312 0.488 0.562 0.923 0.558 CB 1.779 53 residues pruned to eliminate duplicates Z: 96 63.072 2.347 0.561 0.602 0.895 0.621 CB 1.791 96 residues pruned to eliminate duplicates Z: 37 41.608 2.331 0.450 0.625 0.972 0.583 CA 1.876 37 residues pruned to eliminate duplicates Z: 51 42.448 2.319 0.535 0.592 0.900 0.580 CB 1.717 51 residues pruned to eliminate duplicates Z: 149 93.201 2.359 0.772 0.608 0.919 0.642 CB 1.800 149 residues pruned to eliminate duplicates Z: 63 49.618 2.347 0.507 0.622 0.887 0.597 CB 1.790 63 residues pruned to eliminate duplicates Z: 99 73.306 2.333 0.647 0.654 0.939 0.643 CB 1.779 98 residues pruned to eliminate duplicates Z: 12 23.909 2.266 0.524 0.875 0.909 0.818 CA 1.670 12 residues pruned to eliminate duplicates Z: 93 66.574 2.345 0.633 0.601 0.924 0.641 CB 1.782 93 residues pruned to eliminate duplicates Z: 60 48.799 2.317 0.523 0.568 0.932 0.610 CB 1.808 60 residues pruned to eliminate duplicates Z: 85 65.732 2.335 0.605 0.649 0.940 0.643 CB 1.771 85 residues pruned to eliminate duplicates Z: 52 43.123 2.332 0.541 0.553 0.902 0.569 CB 1.770 52 residues pruned to eliminate duplicates Z: 102 63.465 2.305 0.582 0.577 0.941 0.614 CB 1.708 102 residues pruned to eliminate duplicates Z: 112 72.579 2.322 0.657 0.607 0.919 0.640 CB 1.761 112 residues pruned to eliminate duplicates Z: 100 51.641 2.246 0.464 0.537 0.909 0.576 CB 1.675 100 residues pruned to eliminate duplicates Z: 104 67.337 2.285 0.654 0.608 0.903 0.680 CB 1.754 104 residues pruned to eliminate duplicates Z: 102 59.232 2.308 0.475 0.581 0.931 0.624 CB 1.721 102 residues pruned to eliminate duplicates Z: 105 68.172 2.295 0.627 0.595 0.933 0.635 CB 1.752 105 residues pruned to eliminate duplicates Z: 61 50.206 2.296 0.581 0.566 0.950 0.617 CB 1.764 61 residues pruned to eliminate duplicates Z: 146 94.382 2.353 0.730 0.623 0.931 0.662 CB 1.843 146 residues pruned to eliminate duplicates Z: 98 71.396 2.318 0.638 0.652 0.918 0.629 CB 1.806 98 residues pruned to eliminate duplicates Z: 75 65.295 2.330 0.660 0.638 0.932 0.608 CB 1.849 75 residues pruned to eliminate duplicates Z: 99 74.265 2.350 0.620 0.662 0.939 0.663 CB 1.806 99 residues pruned to eliminate duplicates Z: 82 63.971 2.336 0.639 0.643 0.901 0.654 CB 1.801 82 residues pruned to eliminate duplicates Z: 98 78.379 2.369 0.661 0.675 0.948 0.722 CB 1.814 98 residues pruned to eliminate duplicates Z: 112 72.318 2.321 0.641 0.610 0.937 0.640 CB 1.733 112 residues pruned to eliminate duplicates Z: 64 55.348 2.306 0.615 0.615 0.937 0.587 CB 1.793 64 residues pruned to eliminate duplicates Z: 49 47.496 2.388 0.510 0.599 0.938 0.604 CB 1.845 49 residues pruned to eliminate duplicates Z: 98 72.641 2.333 0.659 0.659 0.918 0.701 CB 1.792 98 residues pruned to eliminate duplicates Z: 6 3.799 1.922 0.051 0.443 0.600 0.600 CB 1.487 Z: 15 28.698 2.309 0.552 0.733 0.929 0.786 CA 1.868 15 residues pruned to eliminate duplicates Z: 84 64.422 2.335 0.623 0.637 0.916 0.651 CB 1.793 84 residues pruned to eliminate duplicates Z: 98 66.011 2.313 0.594 0.594 0.938 0.629 CB 1.771 98 residues pruned to eliminate duplicates Z: 101 77.079 2.357 0.661 0.666 0.930 0.680 CB 1.816 101 residues pruned to eliminate duplicates Z: 97 75.621 2.332 0.669 0.651 0.948 0.708 CB 1.818 97 residues pruned to eliminate duplicates Z: 86 66.646 2.330 0.620 0.639 0.929 0.659 CB 1.810 86 residues pruned to eliminate duplicates Z: 110 72.823 2.303 0.687 0.614 0.927 0.651 CB 1.739 110 residues pruned to eliminate duplicates Z: 105 75.286 2.326 0.678 0.640 0.933 0.635 CB 1.780 105 residues pruned to eliminate duplicates Z: 75 68.829 2.333 0.687 0.649 0.959 0.703 CB 1.845 75 residues pruned to eliminate duplicates Z: 62 56.933 2.347 0.576 0.644 0.951 0.754 CB 1.812 62 residues pruned to eliminate duplicates Z: 116 77.979 2.338 0.646 0.622 0.957 0.635 CB 1.761 116 residues pruned to eliminate duplicates Z: 37 39.480 2.265 0.613 0.689 0.944 0.722 CB 1.604 37 residues pruned to eliminate duplicates Z: 54 36.178 2.172 0.675 0.523 0.868 0.604 CB 1.538 54 residues pruned to eliminate duplicates Z: 86 65.489 2.311 0.648 0.635 0.929 0.671 CB 1.768 86 residues pruned to eliminate duplicates Z: 54 51.090 2.296 0.608 0.655 0.925 0.717 CB 1.780 54 residues pruned to eliminate duplicates Z: 36 33.745 2.208 0.622 0.542 0.943 0.686 CB 1.621 36 residues pruned to eliminate duplicates Z: 53 45.883 2.250 0.707 0.600 0.942 0.596 CB 1.599 53 residues pruned to eliminate duplicates Z: 98 81.448 2.355 0.713 0.690 0.959 0.691 CB 1.797 98 residues pruned to eliminate duplicates Z: 27 28.140 2.097 0.497 0.648 0.962 0.615 CB 1.592 27 residues pruned to eliminate duplicates Z: 112 79.709 2.328 0.751 0.624 0.937 0.658 CB 1.762 112 residues pruned to eliminate duplicates Z: 188 90.445 2.330 0.679 0.566 0.920 0.626 CB 1.724 188 residues pruned to eliminate duplicates Z: 91 61.714 2.313 0.626 0.601 0.900 0.678 CB 1.745 91 residues pruned to eliminate duplicates Z: 106 64.383 2.269 0.650 0.582 0.895 0.590 CB 1.732 106 residues pruned to eliminate duplicates Z: 29 18.390 1.995 0.563 0.466 0.929 0.643 CB 1.243 29 residues pruned to eliminate duplicates Z: 118 74.677 2.314 0.655 0.616 0.940 0.658 CB 1.718 118 residues pruned to eliminate duplicates Z: 101 77.286 2.334 0.721 0.645 0.930 0.590 CB 1.807 101 residues pruned to eliminate duplicates Z: 43 29.109 2.149 0.520 0.509 0.929 0.595 CB 1.467 43 residues pruned to eliminate duplicates Z: 107 69.037 2.312 0.635 0.597 0.906 0.651 CB 1.785 107 residues pruned to eliminate duplicates Z: 85 61.359 2.329 0.489 0.651 0.940 0.679 CB 1.784 85 residues pruned to eliminate duplicates Z: 87 61.842 2.333 0.562 0.618 0.930 0.651 CB 1.759 87 residues pruned to eliminate duplicates Z: 118 59.833 2.261 0.614 0.521 0.915 0.564 CB 1.624 118 residues pruned to eliminate duplicates Z: 28 28.398 2.184 0.506 0.610 0.963 0.741 CB 1.555 28 residues pruned to eliminate duplicates Z: 38 39.670 2.263 0.542 0.682 0.946 0.649 CB 1.672 38 residues pruned to eliminate duplicates Z: 116 64.765 2.277 0.592 0.582 0.922 0.635 CB 1.670 121 residues pruned to eliminate duplicates Z: 17 13.641 1.880 0.117 0.777 1.000 0.625 CB 1.272 17 residues pruned to eliminate duplicates Z: 45 44.036 2.277 0.629 0.627 0.955 0.705 CB 1.664 45 residues pruned to eliminate duplicates Z: 94 62.665 2.308 0.619 0.597 0.925 0.624 CB 1.714 94 residues pruned to eliminate duplicates Z: 97 63.976 2.328 0.534 0.603 0.948 0.667 CB 1.747 97 residues pruned to eliminate duplicates Z: 157 79.876 2.297 0.702 0.562 0.910 0.615 CB 1.693 114 residues pruned to eliminate duplicates Z: 6 3.467 1.535 0.593 0.200 0.800 0.200 CB 1.133 6 residues pruned to eliminate duplicates Z: 9 12.843 2.102 0.889 0.272 0.875 0.750 C 1.695 9 residues pruned to eliminate duplicates Z: 12 10.787 2.064 0.606 0.318 0.818 0.545 CB 1.465 12 residues pruned to eliminate duplicates Z: 8 6.119 2.072 0.447 0.217 0.714 0.143 CB 1.506 8 residues pruned to eliminate duplicates Z: 102 64.742 2.295 0.672 0.583 0.931 0.634 CB 1.666 102 residues pruned to eliminate duplicates Z: 12 6.405 1.848 0.484 0.231 0.909 0.273 CB 1.059 12 residues pruned to eliminate duplicates Z: 53 44.566 2.243 0.680 0.594 0.962 0.692 CB 1.559 53 residues pruned to eliminate duplicates Z: 15 11.680 2.168 0.581 0.325 0.857 0.714 CB 1.288 15 residues pruned to eliminate duplicates Z: 102 64.787 2.327 0.572 0.586 0.950 0.624 CB 1.706 102 residues pruned to eliminate duplicates Z: 93 57.602 2.264 0.543 0.589 0.935 0.609 CB 1.689 93 residues pruned to eliminate duplicates Z: 129 70.413 2.292 0.653 0.562 0.930 0.672 CB 1.664 129 residues pruned to eliminate duplicates Z: 64 41.154 2.284 0.746 0.476 0.889 0.651 CB 1.500 32 residues pruned to eliminate duplicates Z: 14 29.834 2.199 0.719 0.768 1.000 0.538 CB 1.725 14 residues pruned to eliminate duplicates Z: 153 77.672 2.320 0.621 0.573 0.921 0.638 CB 1.695 154 residues pruned to eliminate duplicates Z: 13 28.131 2.222 0.539 0.869 1.000 0.917 CB 1.735 13 residues pruned to eliminate duplicates Z: 47 50.988 2.410 0.766 0.581 0.957 0.717 CB 1.709 47 residues pruned to eliminate duplicates Z: 75 56.795 2.360 0.614 0.576 0.946 0.676 CB 1.704 75 residues pruned to eliminate duplicates Z: 52 49.249 2.339 0.726 0.558 0.941 0.667 CB 1.715 52 residues pruned to eliminate duplicates Z: 44 50.654 2.416 0.712 0.594 0.977 0.767 CB 1.747 44 residues pruned to eliminate duplicates Z: 75 56.690 2.365 0.631 0.573 0.946 0.716 CB 1.683 75 residues pruned to eliminate duplicates Z: 188 86.777 2.299 0.633 0.582 0.925 0.684 CB 1.689 165 residues pruned to eliminate duplicates Z: 11 29.342 2.319 0.664 0.895 1.000 0.900 CB 1.724 11 residues pruned to eliminate duplicates Z: 63 42.511 2.275 0.625 0.506 0.903 0.661 CB 1.607 63 residues pruned to eliminate duplicates Z: 76 54.684 2.300 0.661 0.552 0.947 0.693 CB 1.660 76 residues pruned to eliminate duplicates Z: 41 51.287 2.426 0.793 0.628 0.950 0.625 CB 1.740 41 residues pruned to eliminate duplicates Z: 40 51.073 2.423 0.849 0.638 0.949 0.718 CB 1.692 40 residues pruned to eliminate duplicates Z: 100 57.564 2.307 0.642 0.554 0.909 0.727 CB 1.594 100 residues pruned to eliminate duplicates Z: 56 43.302 2.288 0.689 0.529 0.891 0.673 CB 1.647 56 residues pruned to eliminate duplicates Z: 43 45.691 2.342 0.722 0.611 0.929 0.762 CB 1.695 43 residues pruned to eliminate duplicates Z: 48 43.433 2.291 0.759 0.560 0.872 0.532 CB 1.700 48 residues pruned to eliminate duplicates Z: 46 49.567 2.364 0.776 0.570 0.956 0.622 CB 1.721 46 residues pruned to eliminate duplicates Z: 60 51.611 2.383 0.642 0.565 0.949 0.712 CB 1.699 60 residues pruned to eliminate duplicates Z: 6 4.275 1.625 0.637 0.289 0.800 0.400 C 1.139 Z: 14 40.374 2.506 0.806 0.733 1.000 0.846 CB 2.007 Z: 55 55.981 2.394 0.758 0.597 0.963 0.685 CB 1.713 75 residues pruned to eliminate duplicates Z: 161 84.580 2.346 0.608 0.594 0.931 0.650 CB 1.739 161 residues pruned to eliminate duplicates Z: 45 51.718 2.416 0.759 0.598 0.932 0.682 CB 1.794 45 residues pruned to eliminate duplicates Z: 158 83.178 2.350 0.621 0.567 0.949 0.637 CB 1.722 158 residues pruned to eliminate duplicates Z: 62 42.312 2.308 0.585 0.467 0.934 0.607 CB 1.638 62 residues pruned to eliminate duplicates Z: 46 54.398 2.390 0.727 0.597 1.000 0.644 CB 1.791 46 residues pruned to eliminate duplicates Z: 74 59.552 2.355 0.704 0.576 0.945 0.671 CB 1.708 74 residues pruned to eliminate duplicates Z: 100 57.938 2.313 0.607 0.529 0.939 0.646 CB 1.620 100 residues pruned to eliminate duplicates Z: 13 49.439 2.444 1.222 0.879 1.000 0.750 CB 1.906 13 residues pruned to eliminate duplicates Z: 85 52.952 2.244 0.639 0.531 0.952 0.607 CB 1.600 85 residues pruned to eliminate duplicates Z: 22 41.833 2.468 0.902 0.540 1.000 0.524 CB 1.870 22 residues pruned to eliminate duplicates Z: 46 52.526 2.409 0.757 0.592 0.978 0.689 CB 1.732 46 residues pruned to eliminate duplicates Z: 28 47.160 2.380 0.995 0.555 0.963 0.556 CB 1.882 28 residues pruned to eliminate duplicates Z: 45 53.375 2.411 0.736 0.615 0.955 0.705 CB 1.805 45 residues pruned to eliminate duplicates Z: 38 28.732 2.287 0.498 0.488 0.892 0.595 CB 1.564 38 residues pruned to eliminate duplicates Z: 77 44.292 2.299 0.637 0.455 0.882 0.539 CB 1.604 77 residues pruned to eliminate duplicates Z: 37 34.517 2.235 0.710 0.496 0.917 0.417 CB 1.649 37 residues pruned to eliminate duplicates Z: 34 30.557 2.334 0.405 0.577 0.939 0.758 CB 1.603 34 residues pruned to eliminate duplicates Z: 72 56.780 2.361 0.637 0.601 0.930 0.746 CB 1.704 72 residues pruned to eliminate duplicates Z: 75 56.027 2.351 0.624 0.572 0.946 0.649 CB 1.682 75 residues pruned to eliminate duplicates Z: 86 53.969 2.311 0.602 0.514 0.929 0.553 CB 1.677 86 residues pruned to eliminate duplicates Z: 126 67.676 2.314 0.614 0.563 0.920 0.704 CB 1.656 126 residues pruned to eliminate duplicates Z: 40 36.075 2.260 0.631 0.523 0.923 0.718 CB 1.659 40 residues pruned to eliminate duplicates Z: 10 27.506 2.195 0.803 0.794 1.000 1.000 CB 1.790 10 residues pruned to eliminate duplicates Z: 35 36.982 2.294 0.667 0.550 0.912 0.735 CB 1.732 35 residues pruned to eliminate duplicates Z: 10 25.153 2.086 0.757 0.846 1.000 0.667 CB 1.699 10 residues pruned to eliminate duplicates Z: 72 59.770 2.370 0.700 0.599 0.930 0.662 CB 1.723 72 residues pruned to eliminate duplicates Z: 35 37.588 2.334 0.566 0.579 0.941 0.765 CB 1.736 35 residues pruned to eliminate duplicates Z: 75 58.935 2.350 0.727 0.552 0.932 0.649 CB 1.721 75 residues pruned to eliminate duplicates Z: 61 53.474 2.371 0.751 0.545 0.917 0.683 CB 1.737 61 residues pruned to eliminate duplicates Z: 35 37.568 2.335 0.710 0.547 0.912 0.706 CB 1.690 35 residues pruned to eliminate duplicates Z: 39 30.624 2.246 0.602 0.493 0.868 0.658 CB 1.601 39 residues pruned to eliminate duplicates Z: 19 19.322 2.152 0.350 0.564 0.944 0.778 CB 1.561 19 residues pruned to eliminate duplicates Z: 18 21.535 2.232 0.356 0.602 0.941 0.824 CB 1.664 18 residues pruned to eliminate duplicates Z: 35 30.334 2.179 0.498 0.567 0.941 0.676 CB 1.586 35 residues pruned to eliminate duplicates Z: 30 31.141 2.321 0.618 0.527 0.897 0.690 CB 1.673 30 residues pruned to eliminate duplicates Z: 32 31.252 2.274 0.517 0.552 0.903 0.613 CB 1.711 32 residues pruned to eliminate duplicates Z: 29 31.179 2.286 0.597 0.553 0.929 0.714 CB 1.651 29 residues pruned to eliminate duplicates Z: 28 33.037 2.251 0.674 0.585 0.926 0.741 CB 1.679 28 residues pruned to eliminate duplicates Z: 90 50.783 2.277 0.687 0.480 0.910 0.618 CB 1.571 90 residues pruned to eliminate duplicates Z: 35 20.314 2.068 0.512 0.435 0.853 0.618 CB 1.397 35 residues pruned to eliminate duplicates Z: 28 36.039 2.323 0.612 0.616 0.963 0.852 CB 1.723 28 residues pruned to eliminate duplicates Z: 19 24.184 2.151 0.412 0.606 1.000 0.833 CB 1.697 19 residues pruned to eliminate duplicates Z: 19 24.329 2.171 0.535 0.609 1.000 0.833 CB 1.552 19 residues pruned to eliminate duplicates Z: 19 25.307 2.191 0.550 0.601 1.000 0.833 CB 1.596 19 residues pruned to eliminate duplicates Z: 44 34.003 2.299 0.627 0.467 0.860 0.605 CB 1.665 44 residues pruned to eliminate duplicates Z: 98 51.924 2.323 0.657 0.476 0.876 0.588 CB 1.602 98 residues pruned to eliminate duplicates Z: 80 60.413 2.385 0.697 0.560 0.924 0.684 CB 1.713 72 residues pruned to eliminate duplicates Z: 6 8.443 1.892 0.803 0.426 1.000 0.600 C 1.195 Z: 7 5.726 1.594 0.530 0.495 0.833 0.167 C 1.156 Z: 7 6.278 1.792 0.966 0.386 0.667 0.500 CB 1.232 7 residues pruned to eliminate duplicates Z: 26 46.715 2.375 1.106 0.643 0.920 0.680 CB 1.777 43 residues pruned to eliminate duplicates Z: 6 12.997 1.985 1.153 0.364 1.000 0.200 CB 1.576 Z: 22 48.442 2.332 1.019 0.777 1.000 0.667 CB 1.759 22 residues pruned to eliminate duplicates Z: 107 74.301 2.336 0.818 0.546 0.934 0.613 CB 1.739 107 residues pruned to eliminate duplicates Z: 43 43.169 2.365 0.861 0.545 0.833 0.667 CB 1.738 43 residues pruned to eliminate duplicates Z: 75 63.830 2.365 0.841 0.537 0.932 0.595 CB 1.763 43 residues pruned to eliminate duplicates Z: 18 51.671 2.388 1.156 0.897 1.000 0.882 CB 1.741 18 residues pruned to eliminate duplicates Z: 41 50.976 2.404 0.887 0.576 0.900 0.500 CB 1.835 41 residues pruned to eliminate duplicates Z: 41 49.707 2.333 0.846 0.584 0.925 0.625 CB 1.821 41 residues pruned to eliminate duplicates Z: 55 59.085 2.400 0.793 0.628 0.907 0.667 CB 1.826 55 residues pruned to eliminate duplicates Z: 47 57.275 2.431 0.958 0.556 0.935 0.565 CB 1.797 47 residues pruned to eliminate duplicates Z: 121 75.850 2.360 0.805 0.545 0.917 0.667 CB 1.697 121 residues pruned to eliminate duplicates Z: 41 47.240 2.337 0.821 0.582 0.925 0.550 CB 1.754 41 residues pruned to eliminate duplicates Z: 221 97.519 2.330 0.687 0.549 0.923 0.645 CB 1.728 221 residues pruned to eliminate duplicates Z: 37 52.729 2.430 0.810 0.642 0.944 0.583 CB 1.852 37 residues pruned to eliminate duplicates Z: 39 54.166 2.395 0.950 0.614 0.947 0.579 CB 1.782 39 residues pruned to eliminate duplicates Z: 41 49.884 2.390 0.897 0.573 0.900 0.550 CB 1.802 41 residues pruned to eliminate duplicates Z: 119 76.107 2.363 0.774 0.560 0.941 0.619 CB 1.676 119 residues pruned to eliminate duplicates Z: 41 49.320 2.367 0.964 0.568 0.875 0.575 CB 1.794 41 residues pruned to eliminate duplicates Z: 18 47.206 2.417 1.050 0.811 0.941 0.706 CB 1.873 18 residues pruned to eliminate duplicates Z: 41 49.342 2.344 1.020 0.571 0.875 0.600 CB 1.759 41 residues pruned to eliminate duplicates Z: 37 58.569 2.426 0.958 0.645 0.972 0.667 CB 1.845 38 residues pruned to eliminate duplicates Z: 11 25.357 2.477 0.463 0.682 1.000 0.600 CA 1.873 11 residues pruned to eliminate duplicates Z: 66 56.045 2.297 0.901 0.520 0.908 0.569 CB 1.720 39 residues pruned to eliminate duplicates Z: 10 14.472 2.052 0.378 0.811 0.889 0.667 CA 1.464 Z: 10 20.919 2.307 0.696 0.790 0.889 0.667 CA 1.554 20 residues pruned to eliminate duplicates Z: 130 75.126 2.324 0.832 0.517 0.907 0.535 CB 1.685 67 residues pruned to eliminate duplicates Z: 10 23.047 2.259 0.723 0.835 0.889 0.444 CA 1.664 Z: 10 14.995 2.053 0.475 0.773 0.889 0.333 CA 1.458 10 residues pruned to eliminate duplicates Z: 39 53.567 2.394 0.984 0.594 0.921 0.579 CB 1.815 39 residues pruned to eliminate duplicates Z: 46 47.212 2.279 0.912 0.512 0.911 0.511 CB 1.751 46 residues pruned to eliminate duplicates Z: 56 62.012 2.396 0.875 0.620 0.909 0.618 CB 1.828 56 residues pruned to eliminate duplicates Z: 137 74.590 2.334 0.811 0.516 0.897 0.603 CB 1.660 137 residues pruned to eliminate duplicates Z: 196 81.220 2.274 0.631 0.550 0.913 0.615 CB 1.636 196 residues pruned to eliminate duplicates Z: 99 76.011 2.369 0.674 0.624 0.939 0.592 CB 1.835 99 residues pruned to eliminate duplicates Z: 110 70.853 2.364 0.537 0.616 0.936 0.642 CB 1.789 110 residues pruned to eliminate duplicates Z: 61 55.868 2.405 0.535 0.629 0.933 0.683 CB 1.854 61 residues pruned to eliminate duplicates Z: 26 38.800 2.343 0.515 0.731 0.960 0.800 CB 1.849 26 residues pruned to eliminate duplicates Z: 102 65.416 2.334 0.509 0.641 0.901 0.733 CB 1.798 102 residues pruned to eliminate duplicates Z: 65 52.986 2.351 0.454 0.600 0.953 0.594 CB 1.847 65 residues pruned to eliminate duplicates Z: 105 63.358 2.328 0.517 0.622 0.894 0.683 CB 1.754 105 residues pruned to eliminate duplicates Z: 80 55.315 2.319 0.531 0.588 0.899 0.620 CB 1.793 80 residues pruned to eliminate duplicates Z: 28 34.477 2.199 0.458 0.718 0.926 0.815 C 1.835 28 residues pruned to eliminate duplicates Z: 99 71.680 2.350 0.566 0.643 0.949 0.694 CB 1.814 99 residues pruned to eliminate duplicates Z: 16 30.025 2.193 0.735 0.789 0.933 0.933 C 1.694 16 residues pruned to eliminate duplicates Z: 9 11.146 2.184 0.331 0.467 1.000 0.750 CB 1.401 11 residues pruned to eliminate duplicates Z: 6 5.024 1.884 0.161 0.337 1.000 1.000 C 1.227 6 residues pruned to eliminate duplicates Z: 14 10.061 2.178 0.379 0.349 0.923 0.769 CB 1.186 14 residues pruned to eliminate duplicates Z: 6 2.969 1.609 0.270 0.467 0.800 0.400 CB 0.840 6 residues pruned to eliminate duplicates Z: 60 37.260 2.140 0.572 0.569 0.898 0.678 CB 1.502 60 residues pruned to eliminate duplicates Z: 50 41.300 2.213 0.595 0.609 0.959 0.673 CB 1.572 50 residues pruned to eliminate duplicates Z: 69 41.114 2.207 0.506 0.578 0.941 0.706 CB 1.480 69 residues pruned to eliminate duplicates Z: 28 29.702 2.287 0.503 0.595 1.000 0.667 CB 1.519 28 residues pruned to eliminate duplicates Z: 29 27.139 2.269 0.406 0.576 0.964 0.714 CB 1.550 29 residues pruned to eliminate duplicates Z: 58 44.573 2.233 0.581 0.603 0.965 0.719 CB 1.571 58 residues pruned to eliminate duplicates Z: 47 41.290 2.208 0.648 0.590 1.000 0.652 CB 1.535 47 residues pruned to eliminate duplicates Z: 50 38.776 2.234 0.547 0.582 0.959 0.714 CB 1.544 50 residues pruned to eliminate duplicates Z: 29 31.481 2.261 0.561 0.570 1.000 0.571 CB 1.576 29 residues pruned to eliminate duplicates Z: 21 21.009 2.048 0.639 0.550 0.850 0.500 CB 1.569 21 residues pruned to eliminate duplicates Z: 45 42.607 2.233 0.624 0.597 1.000 0.727 CB 1.615 45 residues pruned to eliminate duplicates Z: 56 49.629 2.258 0.680 0.629 0.964 0.673 CB 1.621 56 residues pruned to eliminate duplicates Z: 60 42.745 2.188 0.593 0.570 0.966 0.661 CB 1.543 60 residues pruned to eliminate duplicates Z: 47 41.551 2.239 0.654 0.604 0.935 0.696 CB 1.604 47 residues pruned to eliminate duplicates Z: 46 44.595 2.269 0.569 0.622 1.000 0.778 CB 1.664 46 residues pruned to eliminate duplicates Z: 52 41.921 2.192 0.642 0.600 0.961 0.608 CB 1.543 62 residues pruned to eliminate duplicates Z: 7 5.148 1.743 0.084 0.464 1.000 0.833 CB 1.154 7 residues pruned to eliminate duplicates Z: 48 39.330 2.209 0.545 0.593 0.979 0.681 CB 1.571 48 residues pruned to eliminate duplicates Z: 57 45.530 2.244 0.572 0.605 0.982 0.768 CB 1.590 57 residues pruned to eliminate duplicates Z: 45 43.029 2.287 0.591 0.627 0.977 0.727 CB 1.619 45 residues pruned to eliminate duplicates Z: 46 41.995 2.211 0.618 0.604 1.000 0.711 CB 1.585 46 residues pruned to eliminate duplicates Z: 46 42.957 2.239 0.614 0.591 1.000 0.756 CB 1.623 46 residues pruned to eliminate duplicates Z: 84 60.521 2.245 0.722 0.605 0.940 0.675 CB 1.655 124 residues pruned to eliminate duplicates Z: 6 4.218 1.597 0.369 0.496 1.000 0.600 CB 0.867 6 residues pruned to eliminate duplicates Z: 45 45.174 2.277 0.624 0.631 1.000 0.659 CB 1.629 45 residues pruned to eliminate duplicates Z: 46 47.344 2.279 0.728 0.620 0.978 0.689 CB 1.636 46 residues pruned to eliminate duplicates Z: 46 39.720 2.234 0.557 0.581 0.978 0.689 CB 1.611 46 residues pruned to eliminate duplicates Z: 44 43.050 2.275 0.577 0.613 1.000 0.721 CB 1.644 44 residues pruned to eliminate duplicates Z: 42 46.175 2.258 0.696 0.640 0.976 0.634 CB 1.693 42 residues pruned to eliminate duplicates Z: 58 49.326 2.241 0.751 0.589 0.965 0.667 CB 1.585 58 residues pruned to eliminate duplicates Z: 45 46.609 2.263 0.745 0.618 0.977 0.727 CB 1.629 45 residues pruned to eliminate duplicates Z: 74 46.458 2.165 0.579 0.602 0.959 0.712 CB 1.506 74 residues pruned to eliminate duplicates Z: 44 45.528 2.266 0.695 0.629 0.977 0.674 CB 1.638 44 residues pruned to eliminate duplicates Z: 56 49.394 2.258 0.720 0.628 0.945 0.655 CB 1.607 56 residues pruned to eliminate duplicates Z: 75 47.565 2.173 0.618 0.581 0.932 0.743 CB 1.560 75 residues pruned to eliminate duplicates Z: 47 46.844 2.229 0.775 0.604 0.978 0.674 CB 1.617 47 residues pruned to eliminate duplicates Z: 46 44.129 2.220 0.717 0.588 0.956 0.689 CB 1.660 46 residues pruned to eliminate duplicates Z: 45 46.232 2.259 0.729 0.613 0.955 0.659 CB 1.679 45 residues pruned to eliminate duplicates Z: 54 47.151 2.258 0.663 0.622 0.943 0.736 CB 1.629 54 residues pruned to eliminate duplicates Z: 45 44.422 2.251 0.722 0.605 0.977 0.727 CB 1.600 45 residues pruned to eliminate duplicates Z: 57 45.025 2.225 0.703 0.586 0.946 0.625 CB 1.544 57 residues pruned to eliminate duplicates Z: 75 43.735 2.171 0.503 0.586 0.959 0.743 CB 1.496 75 residues pruned to eliminate duplicates Z: 56 45.599 2.250 0.673 0.598 0.945 0.618 CB 1.573 56 residues pruned to eliminate duplicates Z: 20 19.794 2.132 0.561 0.525 0.895 0.684 CB 1.488 20 residues pruned to eliminate duplicates Z: 19 20.581 2.092 0.581 0.526 0.889 0.667 CB 1.608 19 residues pruned to eliminate duplicates Z: 56 46.736 2.254 0.707 0.610 0.927 0.709 CB 1.591 56 residues pruned to eliminate duplicates Z: 34 24.549 2.133 0.376 0.591 0.939 0.788 CB 1.420 34 residues pruned to eliminate duplicates Z: 57 47.237 2.217 0.769 0.588 0.946 0.679 CB 1.563 57 residues pruned to eliminate duplicates Z: 74 45.863 2.181 0.602 0.586 0.932 0.658 CB 1.518 74 residues pruned to eliminate duplicates Z: 56 46.588 2.237 0.696 0.601 0.945 0.600 CB 1.590 56 residues pruned to eliminate duplicates Z: 73 43.786 2.175 0.638 0.570 0.903 0.639 CB 1.498 73 residues pruned to eliminate duplicates Z: 29 19.237 2.025 0.341 0.603 0.929 0.714 CB 1.307 Z: 10 13.927 1.833 0.760 0.867 1.000 0.556 CB 1.053 10 residues pruned to eliminate duplicates Z: 58 46.436 2.231 0.711 0.587 0.947 0.702 CB 1.564 87 residues pruned to eliminate duplicates Z: 74 46.334 2.207 0.577 0.576 0.945 0.726 CB 1.532 74 residues pruned to eliminate duplicates Z: 74 44.037 2.200 0.508 0.587 0.959 0.671 CB 1.491 74 residues pruned to eliminate duplicates Z: 73 44.248 2.199 0.555 0.588 0.958 0.694 CB 1.463 73 residues pruned to eliminate duplicates Z: 29 21.177 2.007 0.383 0.612 0.964 0.786 CB 1.345 Z: 11 15.931 2.184 0.073 0.833 1.000 0.900 CB 1.614 12 residues pruned to eliminate duplicates Z: 12 20.743 2.086 0.406 0.842 1.000 0.909 CB 1.589 11 residues pruned to eliminate duplicates Z: 11 18.585 2.006 0.410 0.884 1.000 0.900 CB 1.501 11 residues pruned to eliminate duplicates Z: 74 52.142 2.203 0.693 0.592 0.973 0.630 CB 1.541 103 residues pruned to eliminate duplicates Z: 18 19.032 2.046 0.351 0.589 1.000 0.765 CB 1.534 Z: 11 23.454 2.055 0.667 0.927 1.000 1.000 CB 1.517 11 residues pruned to eliminate duplicates Z: 27 24.230 2.063 0.592 0.581 0.962 0.654 CB 1.392 18 residues pruned to eliminate duplicates Z: 11 20.091 2.037 0.665 0.889 0.900 0.800 CB 1.499 11 residues pruned to eliminate duplicates Z: 20 15.314 1.898 0.553 0.556 0.895 0.737 CB 1.262 20 residues pruned to eliminate duplicates Z: 21 16.311 1.791 0.423 0.574 1.000 0.850 CB 1.332 21 residues pruned to eliminate duplicates Z: 15 10.217 1.993 0.519 0.254 0.786 0.571 CB 1.522 Z: 6 4.949 1.678 0.353 0.375 1.000 0.200 C 1.115 7 residues pruned to eliminate duplicates Z: 7 8.138 1.900 0.541 0.412 0.833 0.500 CB 1.493 7 residues pruned to eliminate duplicates Z: 19 11.269 1.895 0.631 0.227 0.833 0.611 CB 1.417 33 residues pruned to eliminate duplicates Z: 13 16.692 2.088 0.613 0.405 0.917 0.583 N 1.724 Z: 6 3.551 1.546 0.286 0.477 1.000 0.600 N 0.817 6 residues pruned to eliminate duplicates Z: 43 44.226 2.261 0.854 0.572 0.905 0.548 CB 1.678 56 residues pruned to eliminate duplicates Z: 11 15.050 2.268 0.961 0.296 0.900 0.500 CB 1.494 Z: 6 9.387 1.835 0.957 0.533 0.800 0.200 CA 1.415 6 residues pruned to eliminate duplicates Z: 37 49.461 2.288 0.818 0.647 1.000 0.556 CB 1.728 37 residues pruned to eliminate duplicates Z: 48 51.591 2.301 0.863 0.559 1.000 0.596 CB 1.658 59 residues pruned to eliminate duplicates Z: 50 45.228 2.248 0.779 0.544 0.939 0.592 CB 1.649 50 residues pruned to eliminate duplicates Z: 136 82.837 2.325 0.683 0.648 0.926 0.681 CB 1.715 131 residues pruned to eliminate duplicates Z: 15 40.644 2.276 1.100 0.876 0.929 0.857 CA 1.779 15 residues pruned to eliminate duplicates Z: 23 38.824 2.284 0.828 0.703 0.955 0.727 CA 1.727 23 residues pruned to eliminate duplicates Z: 39 49.206 2.299 0.836 0.608 0.974 0.658 CB 1.754 39 residues pruned to eliminate duplicates Z: 48 41.371 2.222 0.759 0.531 0.936 0.489 CB 1.600 48 residues pruned to eliminate duplicates Z: 36 47.834 2.290 0.827 0.639 0.943 0.571 CB 1.800 36 residues pruned to eliminate duplicates Z: 50 45.467 2.261 0.792 0.550 0.918 0.592 CB 1.664 50 residues pruned to eliminate duplicates Z: 39 45.918 2.262 0.875 0.615 0.921 0.579 CB 1.710 39 residues pruned to eliminate duplicates Z: 39 46.389 2.290 0.902 0.608 0.895 0.553 CB 1.743 39 residues pruned to eliminate duplicates Z: 38 48.114 2.259 0.817 0.672 0.946 0.595 CB 1.737 38 residues pruned to eliminate duplicates Z: 38 48.867 2.242 0.885 0.638 0.946 0.568 CB 1.766 38 residues pruned to eliminate duplicates Z: 47 53.940 2.313 0.934 0.581 0.935 0.609 CB 1.760 47 residues pruned to eliminate duplicates Z: 34 45.483 2.235 0.969 0.564 0.970 0.545 CA 1.745 34 residues pruned to eliminate duplicates Z: 87 57.359 2.306 0.755 0.535 0.884 0.640 CB 1.672 87 residues pruned to eliminate duplicates Z: 43 44.964 2.267 0.916 0.559 0.881 0.524 CB 1.713 43 residues pruned to eliminate duplicates Z: 49 48.190 2.278 0.893 0.541 0.917 0.542 CB 1.690 49 residues pruned to eliminate duplicates Z: 38 51.556 2.325 0.889 0.651 0.946 0.568 CB 1.773 38 residues pruned to eliminate duplicates Z: 40 45.943 2.250 0.856 0.616 0.923 0.564 CB 1.710 40 residues pruned to eliminate duplicates Z: 39 48.413 2.290 0.937 0.625 0.921 0.579 CB 1.709 39 residues pruned to eliminate duplicates Z: 41 46.388 2.226 0.905 0.606 0.925 0.500 CB 1.691 41 residues pruned to eliminate duplicates Z: 49 42.409 2.258 0.770 0.544 0.896 0.542 CB 1.638 49 residues pruned to eliminate duplicates Z: 50 44.821 2.242 0.766 0.524 0.918 0.612 CB 1.720 50 residues pruned to eliminate duplicates Z: 49 51.859 2.296 0.904 0.535 0.958 0.521 CB 1.726 49 residues pruned to eliminate duplicates Z: 49 46.586 2.266 0.846 0.553 0.938 0.625 CB 1.628 49 residues pruned to eliminate duplicates Z: 41 47.065 2.301 0.798 0.576 0.950 0.550 CB 1.759 41 residues pruned to eliminate duplicates Z: 41 45.971 2.257 0.868 0.579 0.950 0.400 CB 1.683 41 residues pruned to eliminate duplicates Z: 48 49.312 2.301 0.806 0.566 0.936 0.660 CB 1.734 48 residues pruned to eliminate duplicates Z: 40 46.046 2.304 0.835 0.599 0.923 0.590 CB 1.720 40 residues pruned to eliminate duplicates Z: 35 37.871 2.206 0.658 0.594 0.971 0.529 CB 1.673 35 residues pruned to eliminate duplicates Z: 40 44.023 2.295 0.781 0.574 0.923 0.590 CB 1.741 40 residues pruned to eliminate duplicates Z: 43 47.119 2.285 0.969 0.544 0.905 0.476 CB 1.711 43 residues pruned to eliminate duplicates Z: 50 46.221 2.272 0.834 0.515 0.898 0.531 CB 1.740 50 residues pruned to eliminate duplicates Z: 136 77.503 2.288 0.676 0.625 0.926 0.674 CB 1.670 136 residues pruned to eliminate duplicates Z: 122 69.424 2.258 0.686 0.589 0.909 0.620 CB 1.674 98 residues pruned to eliminate duplicates Z: 15 49.966 2.389 0.979 0.917 1.000 0.929 CA 1.993 15 residues pruned to eliminate duplicates Z: 15 40.893 2.363 0.828 0.845 1.000 0.929 CB 1.882 15 residues pruned to eliminate duplicates Z: 27 44.294 2.403 0.861 0.678 0.923 0.808 CB 1.786 27 residues pruned to eliminate duplicates Z: 66 50.310 2.276 0.619 0.602 0.908 0.554 CB 1.693 66 residues pruned to eliminate duplicates Z: 77 55.962 2.286 0.621 0.643 0.908 0.684 CB 1.669 77 residues pruned to eliminate duplicates Z: 37 35.795 2.247 0.791 0.571 0.806 0.611 CB 1.719 37 residues pruned to eliminate duplicates Z: 62 56.511 2.312 0.639 0.622 0.934 0.672 CB 1.820 62 residues pruned to eliminate duplicates Z: 99 68.482 2.294 0.659 0.655 0.939 0.704 CB 1.676 97 residues pruned to eliminate duplicates Z: 16 50.172 2.210 1.266 0.903 1.000 0.800 CA 1.844 17 residues pruned to eliminate duplicates Z: 14 58.579 2.495 1.174 0.930 1.000 0.923 C 2.094 15 residues pruned to eliminate duplicates Z: 16 47.171 2.181 1.217 0.937 1.000 0.600 C 1.753 16 residues pruned to eliminate duplicates Z: 26 45.190 2.348 0.940 0.752 0.880 0.600 CB 1.800 26 residues pruned to eliminate duplicates Z: 40 45.805 2.351 0.797 0.596 0.846 0.667 CB 1.872 40 residues pruned to eliminate duplicates Z: 64 56.190 2.321 0.716 0.620 0.921 0.619 CB 1.723 64 residues pruned to eliminate duplicates Z: 26 50.182 2.330 1.040 0.739 0.920 0.720 CB 1.852 26 residues pruned to eliminate duplicates Z: 98 66.037 2.305 0.663 0.657 0.918 0.711 CB 1.649 98 residues pruned to eliminate duplicates Z: 77 56.834 2.276 0.631 0.644 0.934 0.632 CB 1.644 77 residues pruned to eliminate duplicates Z: 99 65.306 2.277 0.624 0.646 0.929 0.714 CB 1.677 99 residues pruned to eliminate duplicates Z: 10 12.778 2.124 0.242 0.845 0.889 0.778 CA 1.350 10 residues pruned to eliminate duplicates Z: 99 69.776 2.284 0.692 0.667 0.929 0.694 CB 1.683 99 residues pruned to eliminate duplicates Z: 41 44.518 2.318 0.755 0.582 0.900 0.675 CB 1.777 41 residues pruned to eliminate duplicates Z: 59 44.206 2.271 0.558 0.588 0.897 0.724 CB 1.682 59 residues pruned to eliminate duplicates Z: 60 58.282 2.339 0.717 0.644 0.932 0.661 CB 1.772 60 residues pruned to eliminate duplicates Z: 86 53.052 2.241 0.513 0.621 0.929 0.671 CB 1.630 86 residues pruned to eliminate duplicates Z: 102 74.509 2.339 0.734 0.613 0.931 0.634 CB 1.764 63 residues pruned to eliminate duplicates Z: 6 6.849 1.943 0.329 0.336 1.000 0.600 CB 1.419 6 residues pruned to eliminate duplicates Z: 100 66.338 2.252 0.673 0.652 0.929 0.677 CB 1.653 100 residues pruned to eliminate duplicates Z: 35 36.931 2.206 0.484 0.661 0.971 0.676 CB 1.717 35 residues pruned to eliminate duplicates Z: 51 39.646 2.214 0.460 0.637 0.960 0.660 CB 1.589 51 residues pruned to eliminate duplicates Z: 99 69.457 2.269 0.691 0.655 0.949 0.612 CB 1.668 99 residues pruned to eliminate duplicates Z: 36 36.053 2.166 0.567 0.667 0.971 0.486 CB 1.584 36 residues pruned to eliminate duplicates Z: 103 63.962 2.204 0.667 0.633 0.931 0.667 CB 1.633 103 residues pruned to eliminate duplicates Z: 40 48.123 2.266 0.861 0.620 0.949 0.667 CB 1.720 40 residues pruned to eliminate duplicates Z: 98 70.418 2.285 0.722 0.670 0.928 0.680 CB 1.675 98 residues pruned to eliminate duplicates Z: 13 23.027 2.130 0.327 0.901 1.000 0.917 CA 1.679 13 residues pruned to eliminate duplicates Z: 59 49.159 2.272 0.613 0.586 0.931 0.621 CB 1.741 59 residues pruned to eliminate duplicates Z: 103 67.546 2.254 0.743 0.637 0.912 0.667 CB 1.643 103 residues pruned to eliminate duplicates Z: 96 62.818 2.245 0.725 0.633 0.905 0.674 CB 1.622 96 residues pruned to eliminate duplicates Z: 77 65.186 2.292 0.703 0.666 0.961 0.684 CB 1.711 77 residues pruned to eliminate duplicates Z: 47 42.308 2.226 0.582 0.598 0.957 0.652 CB 1.687 47 residues pruned to eliminate duplicates Z: 64 58.183 2.308 0.728 0.642 0.952 0.651 CB 1.690 64 residues pruned to eliminate duplicates Z: 80 58.795 2.258 0.692 0.635 0.924 0.684 CB 1.651 80 residues pruned to eliminate duplicates Z: 65 56.081 2.298 0.695 0.619 0.938 0.656 CB 1.716 65 residues pruned to eliminate duplicates Z: 65 56.415 2.308 0.730 0.613 0.938 0.656 CB 1.693 65 residues pruned to eliminate duplicates Z: 65 57.592 2.273 0.726 0.634 0.953 0.656 CB 1.698 65 residues pruned to eliminate duplicates Z: 63 57.248 2.308 0.748 0.628 0.919 0.629 CB 1.738 63 residues pruned to eliminate duplicates Z: 66 56.046 2.304 0.699 0.608 0.938 0.662 CB 1.708 66 residues pruned to eliminate duplicates Z: 79 57.013 2.205 0.706 0.638 0.923 0.654 CB 1.634 79 residues pruned to eliminate duplicates Z: 17 20.581 2.147 0.459 0.533 0.938 0.562 C 1.697 17 residues pruned to eliminate duplicates Z: 65 53.036 2.327 0.677 0.630 0.906 0.688 CB 1.659 65 residues pruned to eliminate duplicates Z: 71 55.595 2.214 0.639 0.683 0.957 0.671 CB 1.617 71 residues pruned to eliminate duplicates Z: 116 75.449 2.279 0.810 0.585 0.922 0.626 CB 1.706 105 residues pruned to eliminate duplicates Z: 6 9.342 2.091 0.413 0.390 1.000 0.600 CA 1.590 Z: 66 54.045 2.282 0.669 0.616 0.938 0.692 CB 1.680 72 residues pruned to eliminate duplicates Z: 100 70.381 2.264 0.748 0.653 0.939 0.657 CB 1.651 100 residues pruned to eliminate duplicates Z: 76 65.311 2.273 0.743 0.686 0.960 0.693 CB 1.671 76 residues pruned to eliminate duplicates Z: 54 40.030 2.210 0.481 0.667 0.925 0.755 CB 1.557 54 residues pruned to eliminate duplicates Z: 79 59.908 2.250 0.718 0.653 0.936 0.641 CB 1.627 79 residues pruned to eliminate duplicates Z: 100 69.972 2.272 0.740 0.666 0.919 0.657 CB 1.660 100 residues pruned to eliminate duplicates Z: 139 83.528 2.282 0.787 0.632 0.928 0.638 CB 1.661 139 residues pruned to eliminate duplicates Z: 99 66.834 2.274 0.659 0.670 0.939 0.704 CB 1.629 99 residues pruned to eliminate duplicates Z: 98 65.646 2.279 0.657 0.653 0.928 0.680 CB 1.650 98 residues pruned to eliminate duplicates Z: 99 66.390 2.275 0.703 0.655 0.908 0.745 CB 1.650 99 residues pruned to eliminate duplicates Z: 26 25.889 2.197 0.721 0.615 0.880 0.600 CB 1.396 26 residues pruned to eliminate duplicates Z: 36 41.533 2.230 0.867 0.711 0.886 0.686 CB 1.572 36 residues pruned to eliminate duplicates Z: 83 57.487 2.272 0.643 0.653 0.927 0.646 CB 1.591 83 residues pruned to eliminate duplicates Z: 98 70.061 2.285 0.760 0.657 0.928 0.701 CB 1.647 98 residues pruned to eliminate duplicates Z: 13 27.795 2.077 1.050 0.786 0.917 0.500 CB 1.599 13 residues pruned to eliminate duplicates Z: 99 67.128 2.267 0.642 0.662 0.929 0.714 CB 1.688 99 residues pruned to eliminate duplicates Z: 98 68.820 2.259 0.701 0.674 0.948 0.649 CB 1.633 98 residues pruned to eliminate duplicates Z: 98 67.480 2.301 0.697 0.669 0.918 0.639 CB 1.635 98 residues pruned to eliminate duplicates Z: 98 74.310 2.280 0.830 0.672 0.938 0.639 CB 1.645 98 residues pruned to eliminate duplicates Z: 36 40.149 2.260 0.791 0.685 0.914 0.743 CB 1.548 36 residues pruned to eliminate duplicates Z: 26 26.147 2.140 0.582 0.615 0.960 0.640 CB 1.443 26 residues pruned to eliminate duplicates Z: 98 70.673 2.271 0.756 0.669 0.928 0.660 CB 1.659 98 residues pruned to eliminate duplicates Z: 99 69.247 2.281 0.752 0.653 0.918 0.714 CB 1.652 99 residues pruned to eliminate duplicates Z: 98 73.617 2.274 0.789 0.668 0.938 0.732 CB 1.676 98 residues pruned to eliminate duplicates Z: 72 56.959 2.254 0.714 0.664 0.930 0.690 CB 1.617 72 residues pruned to eliminate duplicates Z: 37 41.198 2.174 0.962 0.700 0.889 0.583 CB 1.509 37 residues pruned to eliminate duplicates Z: 36 42.383 2.262 0.759 0.721 0.914 0.714 CB 1.613 36 residues pruned to eliminate duplicates Z: 88 57.230 2.179 0.737 0.614 0.920 0.575 CB 1.582 88 residues pruned to eliminate duplicates Z: 18 29.069 2.235 0.671 0.670 0.941 0.706 CB 1.714 18 residues pruned to eliminate duplicates Z: 26 26.578 2.131 0.667 0.458 0.920 0.680 CB 1.698 26 residues pruned to eliminate duplicates Z: 22 35.604 2.304 0.651 0.751 1.000 0.857 CB 1.632 22 residues pruned to eliminate duplicates Z: 22 40.262 2.311 0.777 0.762 1.000 0.810 CB 1.696 22 residues pruned to eliminate duplicates Z: 14 25.971 1.939 0.902 0.900 0.923 0.846 C 1.512 14 residues pruned to eliminate duplicates Z: 14 26.164 1.984 0.724 0.857 1.000 0.846 CB 1.563 14 residues pruned to eliminate duplicates Z: 79 49.564 2.190 0.612 0.612 0.910 0.679 CB 1.570 79 residues pruned to eliminate duplicates Z: 18 30.714 2.251 0.673 0.671 1.000 0.765 CB 1.689 18 residues pruned to eliminate duplicates Z: 17 33.859 2.244 0.777 0.710 1.000 0.812 CB 1.756 17 residues pruned to eliminate duplicates Z: 15 23.690 1.840 0.658 0.892 1.000 0.786 CB 1.490 15 residues pruned to eliminate duplicates Z: 23 29.324 2.163 0.675 0.637 0.955 0.636 CB 1.589 23 residues pruned to eliminate duplicates Z: 14 27.219 1.978 0.736 0.904 1.000 0.923 CB 1.566 14 residues pruned to eliminate duplicates 399 residues left after pruning, divided into chains as follows: A: 232 B: 27 C: 121 D: 19 CC for partial structure against native data = 35.77 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.404, Connect. = 0.748 for dens.mod. cycle 1 = 0.300, Contrast = 0.453, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.528, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.527, Connect. = 0.799 for dens.mod. cycle 4 = 0.300, Contrast = 0.533, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.536, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 0.540, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 0.543, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 0.546, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 0.548, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3450 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: 8 16.823 2.313 0.751 0.661 1.000 0.571 CB 1.352 B: 12 43.516 2.535 0.940 0.857 1.000 0.909 CB 1.966 C: 11 42.586 2.602 0.871 0.848 1.000 0.800 CB 2.051 11 residues pruned to eliminate duplicates D: 10 35.983 2.594 0.695 0.829 1.000 0.778 CB 2.053 10 residues pruned to eliminate duplicates E: 13 32.131 2.475 0.428 0.895 1.000 0.917 CB 1.882 13 residues pruned to eliminate duplicates F: 14 45.789 2.504 0.794 0.917 1.000 1.000 CA 1.995 G: 21 33.061 2.241 0.414 0.862 0.950 0.750 CB 1.802 H: 17 41.447 2.361 0.576 0.919 1.000 1.000 CB 1.961 I: 12 41.222 2.573 0.720 0.909 1.000 0.909 CB 1.992 12 residues pruned to eliminate duplicates J: 16 27.587 2.170 0.306 0.910 1.000 0.933 C 1.783 K: 14 30.311 2.310 0.568 0.869 1.000 1.000 CB 1.695 14 residues pruned to eliminate duplicates L: 21 43.787 2.405 0.596 0.871 1.000 0.800 CA 1.861 21 residues pruned to eliminate duplicates M: 18 44.992 2.311 0.846 0.920 1.000 0.941 CB 1.802 N: 11 50.776 2.654 1.050 0.905 1.000 1.000 C 2.101 11 residues pruned to eliminate duplicates O: 37 31.767 2.288 0.508 0.547 0.917 0.667 CB 1.599 8 residues pruned to eliminate duplicates P: 18 36.911 2.359 0.605 0.836 0.941 0.882 CB 1.880 17 residues pruned to eliminate duplicates Q: 15 36.672 2.318 0.565 0.904 1.000 0.857 CB 1.924 16 residues pruned to eliminate duplicates R: 16 43.904 2.275 0.877 0.931 1.000 0.933 CA 1.856 15 residues pruned to eliminate duplicates S: 33 39.640 2.424 0.698 0.552 0.938 0.688 CB 1.727 33 residues pruned to eliminate duplicates T: 13 31.759 2.190 0.751 0.918 1.000 0.917 CA 1.685 U: 12 41.690 2.473 0.764 0.880 1.000 0.909 CB 2.088 12 residues pruned to eliminate duplicates V: 9 29.101 2.278 0.786 0.829 1.000 1.000 CA 1.902 9 residues pruned to eliminate duplicates W: 14 33.568 2.370 0.433 0.915 1.000 1.000 C 1.938 14 residues pruned to eliminate duplicates X: 17 47.337 2.473 0.777 0.890 1.000 0.938 CB 1.937 18 residues pruned to eliminate duplicates Y: 17 45.087 2.481 0.636 0.896 1.000 0.875 CA 1.989 17 residues pruned to eliminate duplicates Z: 9 23.864 2.271 0.502 0.860 1.000 0.875 CA 1.820 9 residues pruned to eliminate duplicates Z: 20 41.084 2.262 0.700 0.878 1.000 0.684 CB 1.779 Z: 98 66.213 2.331 0.620 0.598 0.928 0.639 CB 1.748 34 residues pruned to eliminate duplicates Z: 9 18.978 2.256 0.534 0.775 0.875 0.625 C 1.738 Z: 17 46.445 2.414 0.776 0.902 1.000 0.875 CB 1.931 18 residues pruned to eliminate duplicates Z: 19 36.736 2.260 0.580 0.862 1.000 0.889 CA 1.781 19 residues pruned to eliminate duplicates Z: 21 38.985 2.167 0.833 0.857 0.950 0.800 CB 1.702 21 residues pruned to eliminate duplicates Z: 15 48.847 2.389 0.878 0.941 1.000 1.000 CA 2.020 15 residues pruned to eliminate duplicates Z: 19 36.120 2.249 0.631 0.836 0.944 0.889 CA 1.840 19 residues pruned to eliminate duplicates Z: 17 42.972 2.425 0.649 0.914 1.000 0.875 CB 1.900 17 residues pruned to eliminate duplicates Z: 18 34.791 2.388 0.389 0.859 1.000 0.824 CA 1.871 18 residues pruned to eliminate duplicates Z: 15 44.991 2.387 0.857 0.896 1.000 0.857 CA 1.942 15 residues pruned to eliminate duplicates Z: 14 41.936 2.425 0.646 0.931 1.000 1.000 CB 2.035 15 residues pruned to eliminate duplicates Z: 17 56.657 2.529 1.012 0.888 1.000 0.938 CB 2.006 17 residues pruned to eliminate duplicates Z: 16 34.464 2.274 0.571 0.921 1.000 0.800 CA 1.753 16 residues pruned to eliminate duplicates Z: 14 38.564 2.375 0.644 0.900 1.000 0.923 C 1.956 14 residues pruned to eliminate duplicates Z: 9 19.148 2.310 0.252 0.869 1.000 0.875 CA 1.709 9 residues pruned to eliminate duplicates Z: 17 56.082 2.445 1.062 0.942 1.000 1.000 CB 1.929 17 residues pruned to eliminate duplicates Z: 23 33.736 2.325 0.349 0.831 0.955 0.773 CA 1.806 23 residues pruned to eliminate duplicates Z: 15 42.601 2.408 0.644 0.914 1.000 0.857 CA 2.034 15 residues pruned to eliminate duplicates Z: 21 38.953 2.375 0.529 0.864 0.950 0.850 CB 1.851 21 residues pruned to eliminate duplicates Z: 67 47.211 2.273 0.542 0.591 0.864 0.576 CB 1.760 67 residues pruned to eliminate duplicates Z: 87 51.433 2.304 0.644 0.500 0.884 0.616 CB 1.657 49 residues pruned to eliminate duplicates Z: 10 21.245 2.309 0.559 0.829 1.000 0.444 CA 1.481 10 residues pruned to eliminate duplicates Z: 85 70.709 2.378 0.671 0.665 0.905 0.702 CB 1.842 85 residues pruned to eliminate duplicates Z: 10 17.519 2.202 0.322 0.755 0.889 0.667 CA 1.799 10 residues pruned to eliminate duplicates Z: 15 30.831 2.333 0.398 0.878 1.000 0.929 CA 1.834 15 residues pruned to eliminate duplicates Z: 17 39.509 2.333 0.627 0.933 1.000 1.000 C 1.816 18 residues pruned to eliminate duplicates Z: 8 16.908 2.373 0.340 0.855 0.857 0.714 CA 1.731 8 residues pruned to eliminate duplicates Z: 16 40.867 2.504 0.460 0.938 1.000 1.000 CB 2.007 16 residues pruned to eliminate duplicates Z: 16 36.885 2.241 0.630 0.857 1.000 0.733 C 1.921 16 residues pruned to eliminate duplicates Z: 15 20.926 1.816 0.427 0.903 1.000 0.929 CB 1.538 Z: 10 19.827 2.303 0.391 0.876 1.000 0.667 CA 1.500 10 residues pruned to eliminate duplicates Z: 16 39.113 2.268 0.633 0.925 1.000 0.867 CA 1.914 16 residues pruned to eliminate duplicates Z: 11 18.025 2.156 0.183 0.918 1.000 0.900 CB 1.576 11 residues pruned to eliminate duplicates Z: 10 15.400 2.173 0.450 0.823 0.778 0.667 CB 1.583 10 residues pruned to eliminate duplicates Z: 16 45.056 2.230 1.050 0.883 1.000 0.667 C 1.840 16 residues pruned to eliminate duplicates Z: 17 30.965 2.137 0.643 0.850 1.000 0.875 CA 1.634 17 residues pruned to eliminate duplicates Z: 15 31.339 2.295 0.289 0.914 1.000 1.000 C 2.002 15 residues pruned to eliminate duplicates Z: 16 28.084 2.167 0.352 0.910 1.000 0.933 C 1.755 16 residues pruned to eliminate duplicates Z: 12 33.354 2.253 0.715 0.912 1.000 0.818 CB 1.843 12 residues pruned to eliminate duplicates Z: 16 56.359 2.503 0.993 0.931 1.000 0.933 CA 2.038 16 residues pruned to eliminate duplicates Z: 9 10.947 2.172 0.060 0.831 0.750 0.500 CB 1.684 9 residues pruned to eliminate duplicates Z: 10 13.432 1.986 0.382 0.788 0.889 0.556 CB 1.425 10 residues pruned to eliminate duplicates Z: 17 48.402 2.361 0.897 0.896 1.000 0.938 C 1.936 17 residues pruned to eliminate duplicates Z: 16 45.355 2.482 0.687 0.938 1.000 1.000 C 1.944 16 residues pruned to eliminate duplicates Z: 13 39.083 2.483 0.835 0.872 1.000 0.833 CB 1.806 13 residues pruned to eliminate duplicates Z: 10 13.476 2.133 0.015 0.764 1.000 0.778 CA 1.640 Z: 16 35.819 2.191 0.746 0.882 0.933 0.867 C 1.875 16 residues pruned to eliminate duplicates Z: 9 26.055 2.292 0.491 0.868 1.000 1.000 CA 1.970 9 residues pruned to eliminate duplicates Z: 10 12.907 2.138 -0.037 0.876 1.000 0.889 CA 1.518 Z: 16 49.200 2.242 1.160 0.920 1.000 0.867 CA 1.847 16 residues pruned to eliminate duplicates Z: 11 16.158 1.969 0.274 0.772 1.000 0.600 C 1.602 10 residues pruned to eliminate duplicates Z: 12 26.412 2.214 0.601 0.911 1.000 1.000 CA 1.592 20 residues pruned to eliminate duplicates Z: 85 60.764 2.332 0.505 0.639 0.917 0.655 CB 1.809 85 residues pruned to eliminate duplicates Z: 16 44.738 2.562 0.507 0.942 1.000 1.000 C 2.075 16 residues pruned to eliminate duplicates Z: 8 18.637 2.232 0.279 0.866 1.000 0.714 CB 1.807 8 residues pruned to eliminate duplicates Z: 15 45.372 2.320 0.956 0.929 1.000 0.786 CA 1.870 15 residues pruned to eliminate duplicates Z: 24 38.711 2.252 0.662 0.785 0.957 0.652 CB 1.755 20 residues pruned to eliminate duplicates Z: 21 41.648 2.349 0.672 0.850 0.950 0.550 CA 1.847 21 residues pruned to eliminate duplicates Z: 13 27.063 2.175 0.633 0.848 1.000 0.750 CB 1.632 13 residues pruned to eliminate duplicates Z: 17 46.407 2.438 0.941 0.889 0.938 0.875 CB 1.883 17 residues pruned to eliminate duplicates Z: 20 33.635 2.327 0.366 0.828 1.000 0.737 CA 1.829 20 residues pruned to eliminate duplicates Z: 9 22.024 2.269 0.386 0.871 1.000 0.875 CA 1.806 9 residues pruned to eliminate duplicates Z: 18 39.486 2.301 0.548 0.926 1.000 0.824 C 1.886 17 residues pruned to eliminate duplicates Z: 13 30.733 2.074 0.801 0.910 1.000 0.833 CB 1.685 15 residues pruned to eliminate duplicates Z: 18 50.226 2.405 1.021 0.884 1.000 0.765 CB 1.810 18 residues pruned to eliminate duplicates Z: 12 26.224 2.213 0.547 0.930 1.000 0.909 CA 1.615 12 residues pruned to eliminate duplicates Z: 12 29.631 2.306 0.581 0.882 1.000 0.909 C 1.773 12 residues pruned to eliminate duplicates Z: 11 17.701 2.157 0.169 0.918 1.000 0.900 CB 1.566 11 residues pruned to eliminate duplicates Z: 11 18.731 2.166 0.229 0.908 1.000 0.900 CB 1.581 11 residues pruned to eliminate duplicates Z: 18 39.126 2.362 0.581 0.892 1.000 0.941 CA 1.825 18 residues pruned to eliminate duplicates Z: 18 38.332 2.333 0.571 0.878 1.000 0.882 CA 1.841 18 residues pruned to eliminate duplicates Z: 17 37.789 2.497 0.411 0.883 1.000 0.938 CB 1.940 17 residues pruned to eliminate duplicates Z: 15 50.171 2.400 0.976 0.932 1.000 0.857 CA 1.975 15 residues pruned to eliminate duplicates Z: 35 33.158 2.353 0.484 0.553 0.912 0.676 CB 1.695 35 residues pruned to eliminate duplicates Z: 15 39.916 2.299 0.769 0.883 1.000 0.857 C 1.896 15 residues pruned to eliminate duplicates Z: 19 43.361 2.271 1.038 0.832 0.944 0.833 CA 1.756 19 residues pruned to eliminate duplicates Z: 18 46.970 2.310 0.852 0.916 1.000 0.882 C 1.880 18 residues pruned to eliminate duplicates Z: 40 43.400 2.349 0.812 0.563 0.846 0.590 CB 1.815 31 residues pruned to eliminate duplicates Z: 9 14.947 2.040 0.101 0.840 1.000 0.750 C 1.757 10 residues pruned to eliminate duplicates Z: 21 35.038 2.231 0.579 0.826 0.950 0.600 CA 1.765 21 residues pruned to eliminate duplicates Z: 12 49.070 2.436 1.118 0.910 1.000 0.727 C 2.034 12 residues pruned to eliminate duplicates Z: 15 47.673 2.385 0.958 0.925 1.000 0.929 CA 1.916 15 residues pruned to eliminate duplicates Z: 19 38.421 2.346 0.645 0.898 0.944 0.833 CA 1.776 19 residues pruned to eliminate duplicates Z: 12 30.562 2.350 0.541 0.879 1.000 0.909 C 1.845 12 residues pruned to eliminate duplicates Z: 18 50.174 2.374 0.961 0.899 1.000 0.824 CA 1.867 17 residues pruned to eliminate duplicates Z: 11 25.755 2.090 0.653 0.900 1.000 0.600 C 1.684 Z: 9 28.018 2.270 0.667 0.889 1.000 0.875 CA 1.884 9 residues pruned to eliminate duplicates Z: 7 8.885 1.785 0.240 0.834 0.833 0.833 CA 1.475 7 residues pruned to eliminate duplicates Z: 21 42.528 2.304 0.642 0.836 1.000 0.750 C 1.882 24 residues pruned to eliminate duplicates Z: 17 53.819 2.515 0.981 0.892 1.000 0.812 C 1.940 17 residues pruned to eliminate duplicates Z: 23 41.988 2.353 0.534 0.821 1.000 0.773 CA 1.877 23 residues pruned to eliminate duplicates Z: 13 22.477 2.080 0.738 0.812 0.917 0.917 CB 1.493 13 residues pruned to eliminate duplicates Z: 13 34.391 2.129 0.926 0.937 1.000 1.000 CA 1.685 Z: 12 22.362 2.163 0.486 0.910 1.000 0.909 CB 1.488 12 residues pruned to eliminate duplicates Z: 11 12.112 2.059 0.052 0.860 0.900 0.500 CB 1.444 11 residues pruned to eliminate duplicates Z: 13 12.490 1.973 0.686 0.308 0.833 0.667 CB 1.610 Z: 12 31.461 2.485 0.442 0.860 1.000 0.818 CB 1.947 12 residues pruned to eliminate duplicates Z: 17 45.314 2.454 0.717 0.896 1.000 0.812 CA 1.926 17 residues pruned to eliminate duplicates Z: 9 12.184 2.146 0.044 0.874 0.875 0.875 CA 1.600 9 residues pruned to eliminate duplicates Z: 10 31.584 2.241 0.830 0.923 1.000 0.667 CB 1.805 11 residues pruned to eliminate duplicates Z: 11 7.826 1.811 0.646 0.378 0.700 0.400 CB 1.351 9 residues pruned to eliminate duplicates Z: 9 16.461 2.278 0.448 0.812 0.875 0.750 CB 1.537 9 residues pruned to eliminate duplicates Z: 13 12.753 1.920 0.531 0.329 0.917 0.667 CB 1.647 15 residues pruned to eliminate duplicates Z: 24 39.708 2.290 0.605 0.763 0.957 0.696 CB 1.865 21 residues pruned to eliminate duplicates Z: 14 21.266 1.977 0.554 0.885 0.923 0.846 CB 1.502 13 residues pruned to eliminate duplicates Z: 13 27.675 2.240 0.488 0.828 1.000 0.750 C 1.805 13 residues pruned to eliminate duplicates Z: 12 20.821 2.171 0.574 0.915 0.909 0.727 CA 1.428 12 residues pruned to eliminate duplicates Z: 14 48.866 2.520 0.957 0.933 0.923 0.769 CA 2.076 14 residues pruned to eliminate duplicates Z: 15 35.078 2.283 0.539 0.904 1.000 1.000 C 1.899 15 residues pruned to eliminate duplicates Z: 11 12.426 1.906 0.244 0.676 0.900 0.400 CA 1.566 11 residues pruned to eliminate duplicates Z: 20 41.058 2.258 0.634 0.888 1.000 0.842 CB 1.840 20 residues pruned to eliminate duplicates Z: 12 21.945 2.250 0.197 0.882 1.000 0.636 CA 1.777 12 residues pruned to eliminate duplicates Z: 10 18.766 2.078 0.315 0.898 1.000 0.889 CB 1.638 10 residues pruned to eliminate duplicates Z: 12 40.210 2.490 0.869 0.924 0.909 0.727 CB 2.012 12 residues pruned to eliminate duplicates Z: 18 39.533 2.320 0.786 0.841 0.941 0.765 C 1.833 18 residues pruned to eliminate duplicates Z: 59 56.223 2.409 0.750 0.580 0.948 0.655 CB 1.710 59 residues pruned to eliminate duplicates Z: 15 35.469 2.289 0.657 0.898 1.000 0.857 C 1.788 15 residues pruned to eliminate duplicates Z: 13 25.057 2.162 0.447 0.904 1.000 0.917 CB 1.646 13 residues pruned to eliminate duplicates Z: 13 25.864 2.257 0.424 0.880 0.917 0.750 CA 1.835 13 residues pruned to eliminate duplicates Z: 12 25.167 2.157 0.487 0.922 1.000 0.909 CB 1.664 12 residues pruned to eliminate duplicates Z: 35 30.777 2.109 0.748 0.511 0.882 0.618 CB 1.605 35 residues pruned to eliminate duplicates Z: 11 35.927 2.317 1.006 0.923 1.000 0.700 C 1.717 11 residues pruned to eliminate duplicates Z: 41 48.002 2.300 0.710 0.600 0.950 0.600 CB 1.847 41 residues pruned to eliminate duplicates Z: 11 19.210 2.195 0.237 0.916 1.000 0.900 CB 1.579 11 residues pruned to eliminate duplicates Z: 77 52.011 2.359 0.566 0.545 0.921 0.671 CB 1.678 77 residues pruned to eliminate duplicates Z: 14 40.238 2.448 0.660 0.926 1.000 1.000 CA 1.925 14 residues pruned to eliminate duplicates Z: 20 29.958 2.315 0.315 0.834 0.947 0.789 CA 1.787 20 residues pruned to eliminate duplicates Z: 8 19.462 2.216 0.908 0.865 0.857 0.571 CA 1.487 8 residues pruned to eliminate duplicates Z: 17 50.904 2.475 0.865 0.885 1.000 0.750 CA 1.991 17 residues pruned to eliminate duplicates Z: 12 13.564 1.939 -0.011 0.942 1.000 0.818 CB 1.479 12 residues pruned to eliminate duplicates Z: 12 25.864 2.236 0.387 0.919 1.000 1.000 CB 1.771 12 residues pruned to eliminate duplicates Z: 12 33.058 2.358 0.682 0.844 1.000 0.818 C 1.869 13 residues pruned to eliminate duplicates Z: 11 26.353 2.104 0.634 0.920 1.000 0.900 CB 1.707 11 residues pruned to eliminate duplicates Z: 8 10.054 1.911 0.142 0.887 1.000 0.857 CB 1.255 Z: 8 17.970 2.202 1.208 0.452 0.857 0.857 C 1.712 7 residues pruned to eliminate duplicates Z: 9 15.425 2.217 0.140 0.867 1.000 0.625 CA 1.579 9 residues pruned to eliminate duplicates Z: 15 25.514 1.982 0.720 0.863 1.000 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 10 9.792 1.968 0.186 0.873 0.778 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 11 16.945 2.050 0.414 0.861 0.900 0.600 CB 1.509 11 residues pruned to eliminate duplicates Z: 12 29.638 2.258 0.760 0.880 0.909 0.636 CB 1.792 12 residues pruned to eliminate duplicates Z: 10 12.451 2.154 0.305 0.843 0.667 0.444 CA 1.649 10 residues pruned to eliminate duplicates Z: 10 18.463 1.922 0.487 0.937 1.000 1.000 CB 1.499 Z: 86 60.560 2.323 0.495 0.642 0.929 0.612 CB 1.783 86 residues pruned to eliminate duplicates Z: 33 29.842 2.219 0.496 0.566 0.875 0.656 CB 1.703 37 residues pruned to eliminate duplicates Z: 16 31.076 2.272 0.561 0.811 0.933 0.667 CA 1.849 16 residues pruned to eliminate duplicates Z: 6 6.618 1.816 0.713 0.607 0.800 0.600 CB 1.075 6 residues pruned to eliminate duplicates Z: 14 24.464 2.019 0.651 0.895 1.000 0.923 CB 1.459 14 residues pruned to eliminate duplicates Z: 11 16.607 2.122 0.149 0.919 1.000 0.700 CB 1.517 11 residues pruned to eliminate duplicates Z: 14 23.944 1.981 0.682 0.901 1.000 0.923 CB 1.422 14 residues pruned to eliminate duplicates Z: 10 13.930 2.222 -0.100 0.915 1.000 1.000 CB 1.641 10 residues pruned to eliminate duplicates Z: 18 51.733 2.364 1.076 0.875 1.000 0.824 CA 1.859 18 residues pruned to eliminate duplicates Z: 22 35.398 2.203 0.571 0.800 1.000 0.619 CB 1.717 24 residues pruned to eliminate duplicates Z: 14 39.575 2.222 1.201 0.890 1.000 0.538 CB 1.615 14 residues pruned to eliminate duplicates Z: 76 55.196 2.338 0.628 0.534 0.907 0.653 CB 1.786 65 residues pruned to eliminate duplicates Z: 18 48.507 2.383 0.948 0.909 1.000 0.941 CB 1.799 18 residues pruned to eliminate duplicates Z: 12 27.745 2.244 0.489 0.912 1.000 0.909 CB 1.773 12 residues pruned to eliminate duplicates Z: 24 29.101 2.143 0.627 0.694 0.913 0.826 CB 1.596 14 residues pruned to eliminate duplicates Z: 17 53.146 2.517 0.938 0.871 1.000 0.812 C 1.987 17 residues pruned to eliminate duplicates Z: 13 20.873 2.178 0.276 0.847 1.000 0.750 CB 1.610 13 residues pruned to eliminate duplicates Z: 14 23.266 2.165 0.520 0.828 0.923 0.923 CA 1.599 14 residues pruned to eliminate duplicates Z: 9 13.439 2.251 0.136 0.843 0.875 0.625 CA 1.581 9 residues pruned to eliminate duplicates Z: 10 19.054 2.169 0.532 0.856 1.000 0.889 CA 1.409 10 residues pruned to eliminate duplicates Z: 9 21.222 2.287 0.483 0.897 1.000 0.750 CA 1.584 9 residues pruned to eliminate duplicates Z: 13 29.623 2.174 0.643 0.938 1.000 0.917 CA 1.665 13 residues pruned to eliminate duplicates Z: 11 26.907 2.067 0.707 0.937 1.000 1.000 CB 1.679 11 residues pruned to eliminate duplicates Z: 9 30.951 2.228 0.891 0.873 1.000 0.875 CA 1.892 9 residues pruned to eliminate duplicates Z: 12 25.647 2.275 0.241 0.940 1.000 0.909 CB 1.902 12 residues pruned to eliminate duplicates Z: 14 42.053 2.358 0.934 0.909 1.000 0.769 C 1.815 14 residues pruned to eliminate duplicates Z: 18 39.734 2.374 0.718 0.880 1.000 0.765 CB 1.712 18 residues pruned to eliminate duplicates Z: 65 58.485 2.397 0.591 0.599 0.922 0.547 CB 1.892 65 residues pruned to eliminate duplicates Z: 23 32.344 2.275 0.466 0.789 0.909 0.727 CA 1.765 23 residues pruned to eliminate duplicates Z: 11 18.321 2.061 0.650 0.900 0.900 0.700 CA 1.352 11 residues pruned to eliminate duplicates Z: 24 40.686 2.245 0.609 0.795 1.000 0.696 CB 1.814 24 residues pruned to eliminate duplicates Z: 19 44.995 2.381 0.658 0.912 1.000 0.889 CB 1.902 19 residues pruned to eliminate duplicates Z: 14 26.015 2.003 0.755 0.855 1.000 0.846 CB 1.514 14 residues pruned to eliminate duplicates Z: 13 25.404 2.052 0.545 0.869 1.000 0.667 CA 1.690 13 residues pruned to eliminate duplicates Z: 13 25.682 2.094 0.592 0.875 1.000 0.917 CB 1.618 13 residues pruned to eliminate duplicates Z: 13 18.231 2.019 0.283 0.881 1.000 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 10 21.988 2.430 0.123 0.913 1.000 0.889 CA 1.900 10 residues pruned to eliminate duplicates Z: 23 36.661 2.203 0.756 0.807 0.909 0.682 CB 1.700 23 residues pruned to eliminate duplicates Z: 19 43.831 2.261 0.971 0.867 0.944 0.833 CA 1.796 19 residues pruned to eliminate duplicates Z: 14 26.172 2.116 0.609 0.849 0.923 0.846 CA 1.713 13 residues pruned to eliminate duplicates Z: 14 19.527 1.961 0.359 0.875 1.000 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 9 19.564 2.290 0.325 0.907 1.000 0.750 CA 1.621 9 residues pruned to eliminate duplicates Z: 15 19.383 1.855 0.383 0.869 1.000 0.786 CB 1.475 15 residues pruned to eliminate duplicates Z: 53 40.999 2.337 0.372 0.559 0.923 0.615 CB 1.813 53 residues pruned to eliminate duplicates Z: 21 44.780 2.291 0.799 0.846 1.000 0.700 CB 1.805 21 residues pruned to eliminate duplicates Z: 12 32.026 2.385 0.594 0.854 1.000 0.636 C 1.876 12 residues pruned to eliminate duplicates Z: 70 50.841 2.299 0.755 0.517 0.913 0.638 CB 1.635 70 residues pruned to eliminate duplicates Z: 10 11.335 2.427 0.593 0.459 0.778 0.667 CB 1.310 10 residues pruned to eliminate duplicates Z: 11 20.485 2.172 0.292 0.927 1.000 0.900 CB 1.617 11 residues pruned to eliminate duplicates Z: 10 13.309 2.134 0.266 0.752 0.889 0.778 CB 1.475 10 residues pruned to eliminate duplicates Z: 23 41.050 2.345 0.591 0.806 0.955 0.591 CB 1.882 23 residues pruned to eliminate duplicates Z: 19 42.028 2.327 0.830 0.895 0.944 0.611 CB 1.766 19 residues pruned to eliminate duplicates Z: 19 45.280 2.311 0.781 0.908 1.000 0.833 CB 1.841 19 residues pruned to eliminate duplicates Z: 11 16.695 2.088 0.465 0.856 1.000 0.900 CA 1.272 11 residues pruned to eliminate duplicates Z: 18 52.355 2.338 1.111 0.867 1.000 0.824 CA 1.882 18 residues pruned to eliminate duplicates Z: 13 20.228 2.116 0.411 0.848 0.917 0.917 CB 1.583 13 residues pruned to eliminate duplicates Z: 13 18.738 1.830 0.611 0.888 1.000 0.917 CB 1.322 10 residues pruned to eliminate duplicates Z: 11 25.692 2.071 0.782 0.919 1.000 0.900 CB 1.551 11 residues pruned to eliminate duplicates Z: 9 16.250 2.163 0.421 0.820 0.875 0.500 CB 1.618 9 residues pruned to eliminate duplicates Z: 14 26.309 1.985 0.603 0.887 1.000 0.769 CB 1.654 14 residues pruned to eliminate duplicates Z: 10 14.393 1.997 0.056 0.891 1.000 0.778 C 1.635 10 residues pruned to eliminate duplicates Z: 13 26.924 2.077 0.478 0.926 1.000 1.000 C 1.775 13 residues pruned to eliminate duplicates Z: 10 15.420 2.180 0.034 0.882 1.000 0.889 CB 1.651 10 residues pruned to eliminate duplicates Z: 21 34.771 2.209 0.554 0.814 1.000 0.850 CB 1.723 21 residues pruned to eliminate duplicates Z: 14 13.969 1.758 0.429 0.818 0.846 0.769 CB 1.383 14 residues pruned to eliminate duplicates Z: 12 36.740 2.330 0.745 0.930 1.000 0.909 CB 1.905 12 residues pruned to eliminate duplicates Z: 11 19.422 2.165 0.546 0.837 0.900 0.800 CA 1.525 10 residues pruned to eliminate duplicates Z: 13 27.922 2.184 0.725 0.847 0.917 0.750 C 1.732 13 residues pruned to eliminate duplicates Z: 22 28.874 2.154 0.526 0.810 0.905 0.619 CB 1.617 22 residues pruned to eliminate duplicates Z: 13 21.486 2.133 0.356 0.868 0.917 0.833 C 1.710 13 residues pruned to eliminate duplicates Z: 22 35.180 2.212 0.570 0.779 0.952 0.619 CB 1.815 22 residues pruned to eliminate duplicates Z: 85 67.432 2.306 0.641 0.637 0.952 0.714 CB 1.796 85 residues pruned to eliminate duplicates Z: 119 67.451 2.284 0.609 0.554 0.898 0.602 CB 1.785 119 residues pruned to eliminate duplicates Z: 10 16.295 2.011 0.418 0.791 0.889 0.778 CA 1.660 10 residues pruned to eliminate duplicates Z: 11 23.196 2.079 0.534 0.912 1.000 0.700 CB 1.629 11 residues pruned to eliminate duplicates Z: 16 39.279 2.497 0.485 0.929 1.000 0.933 CB 1.915 16 residues pruned to eliminate duplicates Z: 19 50.215 2.370 1.174 0.776 0.944 0.778 CB 1.905 19 residues pruned to eliminate duplicates Z: 15 39.840 2.312 0.809 0.894 1.000 0.929 C 1.827 15 residues pruned to eliminate duplicates Z: 20 37.606 2.227 0.895 0.845 0.842 0.684 C 1.805 20 residues pruned to eliminate duplicates Z: 14 22.130 1.992 0.338 0.880 1.000 0.846 CB 1.667 14 residues pruned to eliminate duplicates Z: 13 24.030 2.107 0.466 0.869 1.000 0.917 CB 1.640 13 residues pruned to eliminate duplicates Z: 13 25.112 2.162 0.495 0.862 1.000 0.833 CA 1.647 13 residues pruned to eliminate duplicates Z: 13 20.349 2.096 0.312 0.882 1.000 0.917 CB 1.546 13 residues pruned to eliminate duplicates Z: 8 14.534 2.001 0.254 0.867 1.000 0.857 CB 1.601 8 residues pruned to eliminate duplicates Z: 11 24.613 2.128 0.600 0.905 1.000 0.700 CB 1.627 11 residues pruned to eliminate duplicates Z: 74 46.320 2.159 0.575 0.589 0.945 0.644 CB 1.548 68 residues pruned to eliminate duplicates Z: 15 40.288 2.282 0.863 0.904 1.000 0.857 C 1.804 15 residues pruned to eliminate duplicates Z: 14 21.161 1.991 0.422 0.885 1.000 0.923 CB 1.498 14 residues pruned to eliminate duplicates Z: 11 24.546 2.085 0.544 0.901 1.000 0.700 CB 1.721 11 residues pruned to eliminate duplicates Z: 11 24.690 2.162 0.565 0.918 1.000 0.900 CB 1.628 11 residues pruned to eliminate duplicates Z: 14 22.381 2.003 0.338 0.914 1.000 0.846 C 1.638 14 residues pruned to eliminate duplicates Z: 12 20.761 2.130 0.303 0.890 1.000 0.909 C 1.623 12 residues pruned to eliminate duplicates Z: 18 47.778 2.329 0.986 0.886 1.000 0.882 CA 1.808 18 residues pruned to eliminate duplicates Z: 14 21.124 1.972 0.336 0.902 1.000 0.846 C 1.586 14 residues pruned to eliminate duplicates Z: 15 52.228 2.392 1.124 0.931 1.000 0.857 CB 1.920 15 residues pruned to eliminate duplicates Z: 17 42.906 2.497 0.578 0.884 1.000 0.875 CB 1.966 17 residues pruned to eliminate duplicates Z: 21 36.685 2.388 0.393 0.827 1.000 0.750 CB 1.858 21 residues pruned to eliminate duplicates Z: 14 10.996 1.963 0.362 0.348 0.923 0.615 CB 1.458 14 residues pruned to eliminate duplicates Z: 17 46.447 2.391 0.779 0.921 1.000 0.938 C 1.920 17 residues pruned to eliminate duplicates Z: 17 46.483 2.410 0.840 0.894 1.000 0.938 C 1.880 17 residues pruned to eliminate duplicates Z: 11 17.265 2.017 0.297 0.824 1.000 0.800 CB 1.576 11 residues pruned to eliminate duplicates Z: 8 9.160 1.874 0.235 0.918 1.000 0.857 CB 1.054 8 residues pruned to eliminate duplicates Z: 15 54.665 2.360 1.217 0.949 1.000 0.786 CB 1.927 15 residues pruned to eliminate duplicates Z: 20 45.472 2.284 0.814 0.921 1.000 0.842 CB 1.772 20 residues pruned to eliminate duplicates Z: 11 21.434 2.010 0.567 0.923 1.000 0.600 CB 1.512 11 residues pruned to eliminate duplicates Z: 36 38.978 2.369 0.483 0.598 0.914 0.571 CA 1.868 36 residues pruned to eliminate duplicates Z: 17 51.261 2.515 0.863 0.882 1.000 0.750 CB 1.978 17 residues pruned to eliminate duplicates Z: 24 17.925 1.888 0.627 0.690 0.957 0.652 CB 1.068 13 residues pruned to eliminate duplicates Z: 20 46.269 2.360 0.683 0.886 1.000 0.895 C 1.928 20 residues pruned to eliminate duplicates Z: 17 43.340 2.416 0.774 0.849 1.000 0.750 C 1.875 17 residues pruned to eliminate duplicates Z: 22 36.016 2.231 0.569 0.822 0.952 0.762 CB 1.784 22 residues pruned to eliminate duplicates Z: 10 18.320 1.968 0.501 0.909 1.000 1.000 CB 1.467 Z: 20 35.113 2.252 0.638 0.828 0.895 0.789 C 1.837 20 residues pruned to eliminate duplicates Z: 21 32.747 2.223 0.490 0.848 0.950 0.750 CA 1.728 21 residues pruned to eliminate duplicates Z: 15 27.541 2.078 0.603 0.864 1.000 0.786 CB 1.621 15 residues pruned to eliminate duplicates Z: 19 38.632 2.283 0.581 0.928 1.000 0.556 C 1.767 19 residues pruned to eliminate duplicates Z: 8 22.239 2.345 0.357 0.880 1.000 0.857 CB 1.914 8 residues pruned to eliminate duplicates Z: 12 26.145 2.199 0.460 0.907 1.000 0.818 CA 1.745 12 residues pruned to eliminate duplicates Z: 9 11.028 2.173 0.343 0.402 0.875 0.875 CA 1.692 9 residues pruned to eliminate duplicates Z: 83 65.520 2.316 0.910 0.565 0.878 0.622 CB 1.748 73 residues pruned to eliminate duplicates Z: 98 72.378 2.305 0.666 0.666 0.959 0.660 CB 1.711 99 residues pruned to eliminate duplicates Z: 15 12.616 1.861 0.685 0.328 0.857 0.643 CB 1.516 15 residues pruned to eliminate duplicates Z: 12 12.722 1.883 -0.069 0.902 1.000 0.818 C 1.559 12 residues pruned to eliminate duplicates Z: 98 72.568 2.310 0.715 0.677 0.928 0.670 CB 1.703 98 residues pruned to eliminate duplicates Z: 14 21.857 1.992 0.639 0.876 0.923 0.462 CB 1.462 14 residues pruned to eliminate duplicates Z: 9 11.654 1.819 0.447 0.784 0.875 0.625 CA 1.393 9 residues pruned to eliminate duplicates Z: 41 49.909 2.341 0.852 0.583 0.925 0.625 C 1.816 41 residues pruned to eliminate duplicates Z: 11 13.425 1.972 0.076 0.898 1.000 1.000 CB 1.431 10 residues pruned to eliminate duplicates Z: 13 21.705 1.879 0.539 0.910 1.000 1.000 CB 1.537 12 residues pruned to eliminate duplicates Z: 38 28.915 2.219 0.566 0.499 0.865 0.622 CB 1.583 38 residues pruned to eliminate duplicates Z: 43 23.973 1.895 0.529 0.586 0.976 0.690 CB 1.203 38 residues pruned to eliminate duplicates Z: 14 20.770 2.178 0.401 0.668 0.923 0.769 C 1.752 14 residues pruned to eliminate duplicates Z: 8 9.541 1.977 0.119 0.901 1.000 1.000 CB 1.163 7 residues pruned to eliminate duplicates Z: 18 41.022 2.269 0.732 0.866 1.000 0.824 C 1.854 18 residues pruned to eliminate duplicates Z: 72 53.508 2.267 0.596 0.656 0.915 0.648 CB 1.659 72 residues pruned to eliminate duplicates Z: 25 45.488 2.258 0.704 0.815 1.000 0.625 CB 1.835 25 residues pruned to eliminate duplicates Z: 13 21.239 1.862 0.811 0.868 1.000 0.667 CB 1.329 14 residues pruned to eliminate duplicates Z: 8 30.331 2.460 0.637 0.893 1.000 1.000 CB 2.043 8 residues pruned to eliminate duplicates Z: 18 12.823 1.780 0.263 0.717 0.882 0.647 CB 1.288 18 residues pruned to eliminate duplicates Z: 9 11.731 2.206 0.052 0.886 0.875 0.875 CA 1.474 9 residues pruned to eliminate duplicates Z: 58 42.224 2.161 0.627 0.564 0.912 0.596 CB 1.639 58 residues pruned to eliminate duplicates Z: 13 23.381 2.026 0.415 0.893 1.000 1.000 C 1.690 13 residues pruned to eliminate duplicates Z: 11 18.827 2.009 0.490 0.875 1.000 0.900 CB 1.446 11 residues pruned to eliminate duplicates Z: 13 25.717 2.042 0.785 0.878 1.000 0.667 CB 1.478 13 residues pruned to eliminate duplicates Z: 13 34.919 2.382 0.615 0.916 1.000 0.917 C 1.851 13 residues pruned to eliminate duplicates Z: 13 14.447 1.747 0.340 0.912 1.000 0.917 CB 1.261 13 residues pruned to eliminate duplicates Z: 13 25.605 2.062 0.910 0.831 0.917 0.417 CB 1.539 13 residues pruned to eliminate duplicates Z: 40 38.043 2.391 0.370 0.587 0.897 0.513 CB 1.906 40 residues pruned to eliminate duplicates Z: 19 29.563 2.302 0.204 0.887 1.000 0.722 CB 1.814 19 residues pruned to eliminate duplicates Z: 10 14.861 2.055 0.197 0.853 1.000 0.889 CA 1.488 10 residues pruned to eliminate duplicates Z: 41 22.474 1.887 0.503 0.632 0.975 0.750 CB 1.135 41 residues pruned to eliminate duplicates Z: 8 24.717 2.255 1.167 0.677 1.000 1.000 CA 1.624 8 residues pruned to eliminate duplicates Z: 39 53.692 2.346 0.865 0.604 0.947 0.605 CB 1.904 36 residues pruned to eliminate duplicates Z: 34 46.544 2.297 0.944 0.584 0.970 0.727 CB 1.727 34 residues pruned to eliminate duplicates Z: 11 19.229 2.108 0.449 0.915 1.000 0.900 CB 1.406 11 residues pruned to eliminate duplicates Z: 56 30.968 2.064 0.579 0.466 0.891 0.455 CB 1.489 46 residues pruned to eliminate duplicates Z: 8 7.775 2.094 0.577 0.346 0.714 0.571 CA 1.473 8 residues pruned to eliminate duplicates Z: 13 23.423 2.086 0.553 0.873 1.000 0.750 CB 1.519 13 residues pruned to eliminate duplicates Z: 12 28.632 2.251 0.551 0.948 1.000 1.000 CB 1.707 12 residues pruned to eliminate duplicates Z: 19 37.961 2.415 0.426 0.857 1.000 0.833 CB 1.915 19 residues pruned to eliminate duplicates Z: 78 59.514 2.275 0.640 0.617 0.922 0.649 CB 1.765 78 residues pruned to eliminate duplicates Z: 13 21.435 2.089 0.354 0.914 1.000 0.917 CB 1.547 13 residues pruned to eliminate duplicates Z: 41 48.131 2.297 0.940 0.584 0.875 0.625 CB 1.800 41 residues pruned to eliminate duplicates Z: 90 62.198 2.309 0.586 0.591 0.955 0.663 CB 1.727 90 residues pruned to eliminate duplicates Z: 10 18.420 1.994 0.474 0.891 1.000 1.000 CB 1.502 10 residues pruned to eliminate duplicates Z: 74 63.321 2.379 0.751 0.555 0.918 0.630 CB 1.837 74 residues pruned to eliminate duplicates Z: 33 18.572 2.014 0.237 0.550 0.875 0.719 CB 1.434 21 residues pruned to eliminate duplicates Z: 9 17.817 2.015 0.315 0.836 1.000 0.625 C 1.780 9 residues pruned to eliminate duplicates Z: 17 33.719 2.443 0.374 0.854 1.000 0.875 CB 1.854 17 residues pruned to eliminate duplicates Z: 11 29.997 2.337 0.617 0.911 1.000 0.900 C 1.779 11 residues pruned to eliminate duplicates Z: 13 33.309 2.426 0.569 0.938 1.000 0.833 C 1.756 14 residues pruned to eliminate duplicates Z: 13 15.174 1.944 0.243 0.850 1.000 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 11 18.700 2.056 0.239 0.938 1.000 0.900 CB 1.614 11 residues pruned to eliminate duplicates Z: 11 20.642 2.154 0.385 0.926 1.000 0.800 CB 1.534 11 residues pruned to eliminate duplicates Z: 17 42.445 2.441 0.759 0.862 1.000 0.750 CB 1.815 17 residues pruned to eliminate duplicates Z: 40 38.743 2.112 0.762 0.575 0.949 0.564 CB 1.635 40 residues pruned to eliminate duplicates Z: 13 22.124 2.147 0.257 0.913 1.000 0.833 CA 1.675 13 residues pruned to eliminate duplicates Z: 106 69.853 2.309 0.665 0.596 0.914 0.657 CB 1.769 105 residues pruned to eliminate duplicates Z: 87 64.388 2.318 0.578 0.634 0.942 0.674 CB 1.779 87 residues pruned to eliminate duplicates Z: 13 20.747 2.215 0.252 0.886 0.917 0.750 CB 1.701 13 residues pruned to eliminate duplicates Z: 84 56.528 2.338 0.651 0.538 0.928 0.614 CB 1.669 86 residues pruned to eliminate duplicates Z: 19 12.297 2.083 0.454 0.288 0.889 0.389 CB 1.367 19 residues pruned to eliminate duplicates Z: 41 39.648 2.217 0.667 0.680 0.925 0.725 CB 1.554 41 residues pruned to eliminate duplicates Z: 19 42.218 2.374 0.605 0.894 1.000 0.833 CA 1.873 19 residues pruned to eliminate duplicates Z: 12 9.125 2.011 0.879 0.299 0.727 0.545 CB 1.252 12 residues pruned to eliminate duplicates Z: 9 21.932 2.270 0.401 0.887 1.000 1.000 CA 1.758 9 residues pruned to eliminate duplicates Z: 14 21.894 1.982 0.327 0.898 1.000 0.923 CB 1.652 14 residues pruned to eliminate duplicates Z: 18 13.094 2.047 0.574 0.244 0.941 0.529 CB 1.408 18 residues pruned to eliminate duplicates Z: 7 11.545 1.787 0.326 0.803 1.000 0.833 CA 1.526 6 residues pruned to eliminate duplicates Z: 55 43.317 2.331 0.626 0.539 0.889 0.574 CB 1.685 55 residues pruned to eliminate duplicates Z: 12 21.815 2.017 0.704 0.879 1.000 0.818 CB 1.387 13 residues pruned to eliminate duplicates Z: 19 42.168 2.304 0.773 0.874 1.000 0.722 CA 1.770 19 residues pruned to eliminate duplicates Z: 13 23.751 2.048 0.642 0.901 0.917 0.833 CB 1.588 13 residues pruned to eliminate duplicates Z: 12 34.781 2.461 0.588 0.805 1.000 0.909 C 2.056 12 residues pruned to eliminate duplicates Z: 19 14.956 1.950 0.574 0.533 0.889 0.778 CB 1.252 19 residues pruned to eliminate duplicates Z: 36 44.547 2.320 0.674 0.659 0.914 0.600 CB 1.830 36 residues pruned to eliminate duplicates Z: 15 41.227 2.294 0.914 0.921 1.000 0.929 C 1.766 15 residues pruned to eliminate duplicates Z: 11 19.782 1.961 0.571 0.919 1.000 0.900 CB 1.430 11 residues pruned to eliminate duplicates Z: 17 39.334 2.095 1.044 0.900 1.000 0.812 CA 1.640 17 residues pruned to eliminate duplicates Z: 34 27.073 2.211 0.440 0.518 0.909 0.636 CB 1.598 34 residues pruned to eliminate duplicates Z: 13 23.529 2.108 0.433 0.897 1.000 1.000 CB 1.610 13 residues pruned to eliminate duplicates Z: 13 23.895 2.099 0.575 0.879 1.000 0.917 CB 1.513 13 residues pruned to eliminate duplicates Z: 17 39.272 2.350 0.629 0.909 0.938 0.938 CA 1.942 17 residues pruned to eliminate duplicates Z: 19 43.852 2.358 0.953 0.772 0.944 0.889 CA 1.868 19 residues pruned to eliminate duplicates Z: 12 23.263 2.146 0.481 0.898 1.000 0.909 CA 1.579 12 residues pruned to eliminate duplicates Z: 15 43.622 2.343 0.880 0.876 1.000 0.786 CA 1.923 15 residues pruned to eliminate duplicates Z: 12 28.017 2.187 0.633 0.910 1.000 0.818 C 1.678 12 residues pruned to eliminate duplicates Z: 15 21.694 1.893 0.450 0.880 1.000 0.714 CB 1.530 15 residues pruned to eliminate duplicates Z: 15 49.733 2.299 1.197 0.914 1.000 0.929 CA 1.861 15 residues pruned to eliminate duplicates Z: 11 16.148 1.951 0.400 0.873 1.000 0.800 CB 1.361 11 residues pruned to eliminate duplicates Z: 66 51.809 2.266 0.691 0.562 0.938 0.662 CB 1.682 45 residues pruned to eliminate duplicates Z: 18 13.271 1.875 0.426 0.565 0.882 0.824 CB 1.281 18 residues pruned to eliminate duplicates Z: 6 9.155 1.741 0.690 0.692 1.000 0.400 CA 1.167 Z: 21 23.332 2.220 0.588 0.513 0.900 0.600 CA 1.623 21 residues pruned to eliminate duplicates Z: 10 22.886 2.235 0.661 0.896 1.000 0.889 CA 1.472 10 residues pruned to eliminate duplicates Z: 22 26.643 2.275 0.817 0.530 0.857 0.619 CB 1.593 22 residues pruned to eliminate duplicates Z: 12 11.954 1.821 0.164 0.921 1.000 0.818 CB 1.197 12 residues pruned to eliminate duplicates Z: 19 42.375 2.290 0.784 0.893 1.000 0.778 CB 1.756 19 residues pruned to eliminate duplicates Z: 18 25.976 2.136 0.403 0.852 1.000 0.824 CB 1.554 18 residues pruned to eliminate duplicates 6 1.701 1.350 0.258 0.299 1.000 0.400 CB 0.561 ? Z: 39 55.017 2.418 0.837 0.593 0.974 0.526 CB 1.887 39 residues pruned to eliminate duplicates Z: 188 85.038 2.322 0.568 0.574 0.920 0.636 CB 1.728 188 residues pruned to eliminate duplicates Z: 12 18.841 2.165 0.529 0.753 0.818 0.455 CB 1.674 12 residues pruned to eliminate duplicates Z: 37 38.432 2.225 0.619 0.709 0.917 0.833 CB 1.605 37 residues pruned to eliminate duplicates Z: 15 8.656 1.980 0.268 0.399 0.857 0.357 CB 1.196 15 residues pruned to eliminate duplicates Z: 101 69.364 2.248 0.699 0.668 0.940 0.670 CB 1.655 101 residues pruned to eliminate duplicates Z: 15 30.550 2.363 0.321 0.917 1.000 1.000 CA 1.846 15 residues pruned to eliminate duplicates Z: 49 50.891 2.293 0.892 0.570 0.896 0.562 CB 1.767 9 residues pruned to eliminate duplicates Z: 14 37.736 2.435 0.463 0.944 1.000 1.000 C 2.035 14 residues pruned to eliminate duplicates Z: 9 20.361 1.991 0.651 0.889 1.000 1.000 CB 1.577 9 residues pruned to eliminate duplicates Z: 13 34.620 2.116 1.105 0.922 1.000 0.750 CB 1.578 13 residues pruned to eliminate duplicates Z: 11 29.120 2.126 0.843 0.913 1.000 0.800 CB 1.663 11 residues pruned to eliminate duplicates Z: 36 35.844 2.284 0.600 0.558 0.914 0.800 CB 1.713 36 residues pruned to eliminate duplicates Z: 12 24.967 2.234 0.446 0.933 1.000 1.000 CA 1.626 12 residues pruned to eliminate duplicates Z: 16 46.129 2.162 1.094 0.928 1.000 0.533 C 1.843 16 residues pruned to eliminate duplicates Z: 7 17.740 1.980 0.630 0.846 1.000 1.000 CB 1.668 7 residues pruned to eliminate duplicates Z: 51 41.774 2.343 0.482 0.565 0.880 0.600 CB 1.816 51 residues pruned to eliminate duplicates Z: 12 35.359 2.246 1.014 0.865 1.000 0.909 CB 1.726 12 residues pruned to eliminate duplicates Z: 13 30.120 2.089 0.889 0.900 1.000 0.750 CB 1.574 13 residues pruned to eliminate duplicates Z: 41 47.220 2.227 0.941 0.587 0.950 0.550 CB 1.672 41 residues pruned to eliminate duplicates Z: 46 22.975 1.880 0.515 0.590 0.956 0.756 CB 1.155 46 residues pruned to eliminate duplicates Z: 12 36.805 2.467 0.913 0.855 1.000 0.727 CB 1.734 12 residues pruned to eliminate duplicates Z: 10 22.800 1.805 1.017 0.844 1.000 0.778 CA 1.553 10 residues pruned to eliminate duplicates Z: 9 10.196 1.851 0.516 0.429 1.000 0.875 CB 1.382 9 residues pruned to eliminate duplicates Z: 10 18.891 1.978 0.751 0.780 0.889 0.778 CB 1.597 10 residues pruned to eliminate duplicates Z: 11 5.705 1.836 0.274 0.377 0.900 0.700 CB 0.977 Z: 9 4.935 1.851 0.317 0.227 0.750 0.750 CA 1.312 9 residues pruned to eliminate duplicates Z: 11 17.159 2.035 0.205 0.921 1.000 0.800 CB 1.557 11 residues pruned to eliminate duplicates Z: 10 8.443 1.863 0.006 0.817 0.889 0.889 CA 1.283 10 residues pruned to eliminate duplicates Z: 10 13.001 1.860 0.685 0.421 1.000 0.667 CB 1.501 10 residues pruned to eliminate duplicates Z: 19 35.018 2.270 0.569 0.847 1.000 0.833 CB 1.720 19 residues pruned to eliminate duplicates Z: 9 9.944 1.945 0.010 0.886 1.000 1.000 CB 1.292 9 residues pruned to eliminate duplicates Z: 7 14.237 2.269 0.675 0.716 1.000 0.500 CB 1.257 7 residues pruned to eliminate duplicates Z: 13 10.213 1.866 0.670 0.191 0.917 0.500 CB 1.494 13 residues pruned to eliminate duplicates Z: 89 73.133 2.294 0.727 0.646 0.920 0.625 CB 1.866 89 residues pruned to eliminate duplicates Z: 17 19.502 2.053 0.296 0.693 0.938 0.688 CB 1.638 17 residues pruned to eliminate duplicates Z: 10 22.744 2.031 0.557 0.913 1.000 0.889 CA 1.696 10 residues pruned to eliminate duplicates Z: 13 32.087 2.057 1.126 0.897 1.000 0.833 CB 1.516 13 residues pruned to eliminate duplicates Z: 22 25.759 2.254 0.725 0.529 0.857 0.476 CB 1.639 22 residues pruned to eliminate duplicates Z: 6 3.552 1.647 -0.017 0.547 0.800 0.400 CA 1.172 6 residues pruned to eliminate duplicates Z: 11 19.401 2.014 0.509 0.880 1.000 0.400 CA 1.462 11 residues pruned to eliminate duplicates Z: 35 42.757 2.343 0.952 0.520 0.882 0.588 CB 1.781 35 residues pruned to eliminate duplicates Z: 81 48.762 2.276 0.531 0.520 0.887 0.588 CB 1.729 81 residues pruned to eliminate duplicates Z: 50 46.263 2.255 0.635 0.616 0.898 0.673 C 1.789 50 residues pruned to eliminate duplicates Z: 16 18.383 2.302 0.527 0.466 0.867 0.667 CB 1.613 16 residues pruned to eliminate duplicates Z: 36 53.756 2.459 0.836 0.625 0.943 0.629 CB 1.898 36 residues pruned to eliminate duplicates Z: 29 26.428 2.050 0.594 0.683 0.929 0.750 CB 1.391 29 residues pruned to eliminate duplicates Z: 10 18.351 2.054 0.384 0.858 1.000 0.556 CA 1.584 10 residues pruned to eliminate duplicates Z: 12 12.978 1.910 0.419 0.570 0.909 0.545 C 1.484 12 residues pruned to eliminate duplicates Z: 9 8.412 1.872 0.697 0.453 0.750 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 7 8.053 2.141 0.293 0.528 0.833 0.167 CB 1.386 7 residues pruned to eliminate duplicates Z: 11 21.137 2.163 0.343 0.908 1.000 0.900 CB 1.633 11 residues pruned to eliminate duplicates Z: 10 18.899 2.146 0.226 0.899 1.000 1.000 CB 1.712 10 residues pruned to eliminate duplicates Z: 10 15.558 2.063 0.128 0.867 1.000 0.889 CA 1.630 10 residues pruned to eliminate duplicates Z: 19 23.488 2.245 0.580 0.608 0.833 0.611 CB 1.690 19 residues pruned to eliminate duplicates Z: 13 19.097 1.837 0.817 0.869 1.000 0.750 CB 1.206 13 residues pruned to eliminate duplicates Z: 16 17.494 2.138 0.439 0.572 0.867 0.733 CB 1.581 16 residues pruned to eliminate duplicates Z: 14 13.207 1.946 0.348 0.631 0.846 0.538 CB 1.459 14 residues pruned to eliminate duplicates Z: 51 62.285 2.418 0.702 0.671 0.940 0.700 CB 1.944 51 residues pruned to eliminate duplicates Z: 20 37.662 2.389 0.843 0.644 0.947 0.789 CB 1.811 20 residues pruned to eliminate duplicates Z: 11 24.102 2.268 0.335 0.906 1.000 0.900 CB 1.791 11 residues pruned to eliminate duplicates Z: 13 21.154 2.004 0.379 0.929 1.000 1.000 CA 1.546 13 residues pruned to eliminate duplicates Z: 16 35.309 2.373 0.611 0.891 1.000 0.733 CB 1.715 16 residues pruned to eliminate duplicates Z: 37 25.400 2.154 0.457 0.476 0.889 0.667 CB 1.555 37 residues pruned to eliminate duplicates Z: 10 14.265 2.068 0.055 0.795 1.000 0.556 CA 1.682 10 residues pruned to eliminate duplicates Z: 11 19.985 2.113 0.202 0.880 1.000 0.800 CA 1.804 11 residues pruned to eliminate duplicates Z: 17 57.124 2.463 1.058 0.907 1.000 0.875 CA 2.002 17 residues pruned to eliminate duplicates Z: 10 15.572 2.019 0.419 0.875 1.000 0.556 CA 1.318 10 residues pruned to eliminate duplicates Z: 34 27.952 2.230 0.425 0.554 0.909 0.667 CB 1.599 34 residues pruned to eliminate duplicates Z: 10 12.822 1.961 0.856 0.387 0.889 0.444 CB 1.489 10 residues pruned to eliminate duplicates Z: 96 66.581 2.260 0.691 0.666 0.926 0.642 CB 1.655 96 residues pruned to eliminate duplicates Z: 13 13.206 2.022 0.569 0.538 0.833 0.583 CB 1.389 13 residues pruned to eliminate duplicates Z: 13 17.671 2.024 0.339 0.854 1.000 0.917 CB 1.390 13 residues pruned to eliminate duplicates Z: 10 13.960 2.027 0.174 0.856 1.000 0.778 CA 1.442 10 residues pruned to eliminate duplicates Z: 9 11.581 1.885 0.438 0.887 1.000 0.875 CB 1.089 9 residues pruned to eliminate duplicates Z: 23 46.519 2.445 0.902 0.583 1.000 0.636 CB 1.970 23 residues pruned to eliminate duplicates Z: 38 55.481 2.360 0.926 0.650 0.946 0.595 CB 1.843 38 residues pruned to eliminate duplicates Z: 17 40.154 2.392 0.598 0.876 1.000 0.875 CB 1.909 17 residues pruned to eliminate duplicates Z: 13 25.068 2.077 0.694 0.858 1.000 0.833 CB 1.514 13 residues pruned to eliminate duplicates Z: 20 19.660 2.061 0.995 0.406 0.947 0.632 CB 1.278 16 residues pruned to eliminate duplicates Z: 12 14.943 1.806 0.518 0.822 0.818 0.727 CB 1.520 12 residues pruned to eliminate duplicates Z: 17 9.890 2.005 -0.093 0.557 0.875 0.750 CB 1.471 17 residues pruned to eliminate duplicates Z: 108 73.382 2.328 0.652 0.613 0.925 0.692 CB 1.791 108 residues pruned to eliminate duplicates Z: 35 41.682 2.196 0.847 0.622 0.882 0.647 CB 1.780 35 residues pruned to eliminate duplicates Z: 12 25.604 2.040 0.542 0.912 1.000 0.818 CB 1.738 12 residues pruned to eliminate duplicates Z: 16 53.176 2.186 1.450 0.916 1.000 0.867 CA 1.811 16 residues pruned to eliminate duplicates Z: 18 43.573 2.244 0.939 0.865 1.000 0.824 CA 1.779 18 residues pruned to eliminate duplicates Z: 75 49.461 2.238 0.475 0.642 0.919 0.635 CB 1.660 75 residues pruned to eliminate duplicates Z: 29 18.495 2.030 0.278 0.616 0.893 0.821 CB 1.353 29 residues pruned to eliminate duplicates Z: 21 35.110 2.239 0.466 0.874 1.000 0.600 CB 1.740 21 residues pruned to eliminate duplicates Z: 63 58.211 2.301 0.669 0.656 0.935 0.742 CB 1.780 63 residues pruned to eliminate duplicates Z: 16 45.074 2.129 1.257 0.907 1.000 0.733 CA 1.722 16 residues pruned to eliminate duplicates Z: 14 17.599 1.779 0.545 0.879 1.000 0.769 CB 1.288 13 residues pruned to eliminate duplicates Z: 6 11.734 1.917 0.898 0.529 1.000 0.600 C 1.401 6 residues pruned to eliminate duplicates Z: 8 17.501 2.347 1.307 0.408 0.857 0.429 CB 1.569 8 residues pruned to eliminate duplicates Z: 55 49.535 2.231 0.719 0.614 0.907 0.667 CB 1.739 55 residues pruned to eliminate duplicates Z: 11 12.883 2.011 -0.128 0.935 1.000 1.000 CB 1.619 11 residues pruned to eliminate duplicates 8 1.646 1.316 0.124 0.320 0.857 0.429 CB 0.598 ? Z: 13 18.037 2.109 0.073 0.938 1.000 0.917 CA 1.600 13 residues pruned to eliminate duplicates Z: 8 15.178 2.078 0.101 0.875 1.000 0.857 CA 1.824 8 residues pruned to eliminate duplicates Z: 7 3.641 1.802 -0.072 0.360 0.833 0.500 CB 1.241 7 residues pruned to eliminate duplicates Z: 51 45.443 2.351 0.532 0.612 0.880 0.640 CB 1.823 51 residues pruned to eliminate duplicates Z: 106 58.596 2.278 0.508 0.566 0.914 0.676 CB 1.708 106 residues pruned to eliminate duplicates Z: 32 50.115 2.470 0.806 0.642 0.935 0.677 CB 1.889 41 residues pruned to eliminate duplicates Z: 20 40.597 2.302 0.712 0.876 0.947 0.789 CB 1.812 20 residues pruned to eliminate duplicates Z: 9 6.890 1.732 0.434 0.451 0.875 0.500 CB 1.179 6 residues pruned to eliminate duplicates Z: 6 3.880 1.564 0.105 0.851 1.000 0.800 CB 0.744 6 residues pruned to eliminate duplicates Z: 7 21.195 2.413 0.937 0.754 0.833 0.667 C 1.772 7 residues pruned to eliminate duplicates 8 1.892 1.617 0.371 0.349 0.571 0.429 CB 0.665 ? Z: 8 12.300 1.897 0.446 0.860 0.857 0.857 CB 1.455 8 residues pruned to eliminate duplicates Z: 13 20.092 2.087 0.262 0.902 1.000 0.833 CB 1.570 13 residues pruned to eliminate duplicates Z: 51 40.840 2.287 0.408 0.565 0.940 0.580 CB 1.792 51 residues pruned to eliminate duplicates Z: 6 2.720 1.405 0.896 0.460 0.800 0.600 C 0.595 Z: 41 35.096 2.163 0.578 0.527 0.975 0.500 CB 1.625 41 residues pruned to eliminate duplicates Z: 6 6.748 1.451 0.259 0.817 1.000 0.600 CA 1.254 6 residues pruned to eliminate duplicates Z: 17 21.825 2.106 0.496 0.762 0.875 0.812 CB 1.568 17 residues pruned to eliminate duplicates Z: 36 40.433 2.258 0.661 0.654 0.914 0.686 CB 1.728 36 residues pruned to eliminate duplicates Z: 6 4.995 1.686 0.513 0.540 1.000 0.600 CB 0.842 6 residues pruned to eliminate duplicates Z: 22 42.621 2.257 0.667 0.838 1.000 0.810 CB 1.848 22 residues pruned to eliminate duplicates Z: 7 9.103 1.578 0.910 0.562 0.833 0.667 C 1.393 7 residues pruned to eliminate duplicates Z: 8 11.784 1.911 0.412 0.911 1.000 0.857 CB 1.170 8 residues pruned to eliminate duplicates Z: 48 43.826 2.232 0.683 0.542 0.936 0.638 CB 1.745 48 residues pruned to eliminate duplicates Z: 15 13.614 1.909 0.418 0.541 0.857 0.571 CA 1.505 15 residues pruned to eliminate duplicates Z: 15 12.983 2.140 0.371 0.405 0.929 0.500 CB 1.407 15 residues pruned to eliminate duplicates Z: 7 12.185 1.971 0.864 0.401 1.000 0.833 CB 1.502 7 residues pruned to eliminate duplicates Z: 12 11.907 2.121 0.863 0.362 0.727 0.455 CB 1.449 12 residues pruned to eliminate duplicates Z: 11 22.976 2.260 1.005 0.539 0.900 0.800 CB 1.715 11 residues pruned to eliminate duplicates 7 1.688 1.405 0.089 0.368 0.500 0.333 CB 1.038 ? Z: 7 6.005 1.514 0.983 0.402 0.667 0.500 CA 1.358 7 residues pruned to eliminate duplicates Z: 77 49.256 2.237 0.537 0.592 0.921 0.711 CB 1.633 77 residues pruned to eliminate duplicates Z: 17 17.957 2.167 0.495 0.488 0.875 0.688 CB 1.602 17 residues pruned to eliminate duplicates Z: 98 71.933 2.274 0.724 0.658 0.938 0.670 CB 1.714 98 residues pruned to eliminate duplicates Z: 12 17.625 1.718 1.075 0.896 1.000 0.545 CB 1.068 12 residues pruned to eliminate duplicates Z: 17 18.634 2.271 0.554 0.452 0.875 0.625 CB 1.584 17 residues pruned to eliminate duplicates Z: 6 4.702 1.438 0.623 0.819 0.800 0.600 CA 0.854 6 residues pruned to eliminate duplicates Z: 23 37.216 2.295 0.458 0.844 1.000 0.682 CA 1.765 23 residues pruned to eliminate duplicates Z: 8 2.698 1.236 0.294 0.255 0.857 0.714 N 0.985 Z: 39 39.734 2.274 0.638 0.588 0.868 0.684 CB 1.832 39 residues pruned to eliminate duplicates Z: 15 10.417 2.071 0.266 0.343 0.857 0.286 CB 1.470 15 residues pruned to eliminate duplicates Z: 76 67.660 2.350 0.702 0.641 0.947 0.600 CB 1.809 76 residues pruned to eliminate duplicates Z: 40 52.706 2.368 0.897 0.607 0.897 0.641 C 1.890 48 residues pruned to eliminate duplicates Z: 10 10.390 1.770 0.565 0.444 0.889 0.778 CB 1.491 10 residues pruned to eliminate duplicates Z: 51 45.375 2.403 0.536 0.595 0.880 0.720 CB 1.805 51 residues pruned to eliminate duplicates Z: 48 47.886 2.213 0.770 0.599 0.936 0.617 CB 1.733 48 residues pruned to eliminate duplicates Z: 6 2.473 1.304 0.305 0.422 1.000 0.800 CB 0.705 6 residues pruned to eliminate duplicates Z: 18 50.362 2.356 1.151 0.855 0.941 0.824 C 1.890 18 residues pruned to eliminate duplicates Z: 8 6.859 1.702 0.536 0.447 1.000 0.571 CB 1.047 8 residues pruned to eliminate duplicates Z: 8 11.667 1.945 0.470 0.889 1.000 0.714 CB 1.111 8 residues pruned to eliminate duplicates Z: 92 71.046 2.366 0.657 0.608 0.945 0.593 CB 1.813 92 residues pruned to eliminate duplicates Z: 45 43.914 2.388 0.598 0.590 0.955 0.682 CB 1.668 45 residues pruned to eliminate duplicates Z: 6 8.717 1.865 0.823 0.626 0.800 0.800 CA 1.273 Z: 7 2.606 1.507 0.257 0.083 1.000 0.167 CB 0.963 Z: 48 38.700 2.255 0.668 0.481 0.894 0.660 CB 1.712 48 residues pruned to eliminate duplicates Z: 13 23.827 2.094 0.482 0.882 1.000 0.583 CB 1.604 13 residues pruned to eliminate duplicates Z: 10 13.639 2.237 0.457 0.422 1.000 0.778 CA 1.513 10 residues pruned to eliminate duplicates Z: 28 19.029 1.884 0.750 0.563 0.926 0.704 CB 1.128 28 residues pruned to eliminate duplicates Z: 21 40.911 2.328 1.026 0.653 0.900 0.700 CB 1.869 21 residues pruned to eliminate duplicates Z: 21 19.839 2.011 0.446 0.458 0.950 0.550 CB 1.677 21 residues pruned to eliminate duplicates Z: 25 41.329 2.196 1.046 0.676 0.917 0.792 CB 1.741 25 residues pruned to eliminate duplicates Z: 61 49.645 2.344 0.662 0.564 0.917 0.567 CB 1.687 61 residues pruned to eliminate duplicates Z: 7 8.048 1.815 0.127 0.706 1.000 0.667 CA 1.331 Z: 80 58.166 2.242 0.842 0.558 0.886 0.658 CB 1.691 80 residues pruned to eliminate duplicates Z: 19 14.189 2.056 0.193 0.549 0.889 0.722 CB 1.461 19 residues pruned to eliminate duplicates Z: 51 66.797 2.479 1.020 0.578 0.880 0.620 CB 1.988 53 residues pruned to eliminate duplicates Z: 24 23.291 2.330 0.453 0.552 0.913 0.652 CB 1.494 24 residues pruned to eliminate duplicates Z: 7 8.487 1.872 0.283 0.522 1.000 0.667 CA 1.412 7 residues pruned to eliminate duplicates Z: 15 43.187 2.254 1.003 0.885 1.000 0.786 CA 1.846 15 residues pruned to eliminate duplicates Z: 60 61.007 2.356 0.702 0.654 0.949 0.729 CB 1.809 60 residues pruned to eliminate duplicates Z: 15 16.211 2.109 0.501 0.444 0.929 0.714 CB 1.561 15 residues pruned to eliminate duplicates Z: 34 20.298 2.012 0.318 0.591 0.939 0.727 CB 1.300 34 residues pruned to eliminate duplicates Z: 37 53.144 2.291 0.877 0.653 0.972 0.694 CA 1.838 37 residues pruned to eliminate duplicates Z: 34 35.894 2.326 0.701 0.560 0.879 0.545 CB 1.696 34 residues pruned to eliminate duplicates Z: 8 10.051 1.919 0.474 0.881 0.857 0.714 CB 1.134 8 residues pruned to eliminate duplicates Z: 13 40.449 2.295 1.138 0.887 0.917 0.667 CB 1.872 13 residues pruned to eliminate duplicates Z: 20 32.035 2.233 0.429 0.756 1.000 0.737 CB 1.833 20 residues pruned to eliminate duplicates Z: 11 49.444 2.432 1.361 0.932 1.000 0.600 C 1.901 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 62 59.260 2.390 0.627 0.619 0.902 0.623 CB 1.935 62 residues pruned to eliminate duplicates Z: 78 58.532 2.285 0.723 0.595 0.883 0.571 CB 1.752 78 residues pruned to eliminate duplicates Z: 100 76.356 2.340 0.638 0.661 0.939 0.687 CB 1.836 100 residues pruned to eliminate duplicates Z: 103 62.868 2.311 0.567 0.596 0.931 0.608 CB 1.684 103 residues pruned to eliminate duplicates Z: 101 70.747 2.314 0.535 0.650 0.960 0.650 CB 1.803 101 residues pruned to eliminate duplicates Z: 64 55.189 2.339 0.563 0.610 0.905 0.635 CB 1.894 64 residues pruned to eliminate duplicates Z: 157 87.402 2.348 0.661 0.583 0.936 0.564 CB 1.769 157 residues pruned to eliminate duplicates Z: 15 29.233 2.197 0.701 0.717 1.000 0.786 CB 1.718 15 residues pruned to eliminate duplicates Z: 52 45.855 2.269 0.599 0.594 0.922 0.667 CB 1.755 52 residues pruned to eliminate duplicates Z: 84 62.098 2.330 0.536 0.646 0.928 0.699 CB 1.792 84 residues pruned to eliminate duplicates Z: 111 71.262 2.321 0.610 0.617 0.927 0.691 CB 1.755 111 residues pruned to eliminate duplicates Z: 93 59.214 2.287 0.507 0.606 0.913 0.696 CB 1.774 93 residues pruned to eliminate duplicates Z: 67 54.493 2.307 0.613 0.600 0.909 0.621 CB 1.804 67 residues pruned to eliminate duplicates Z: 108 70.087 2.312 0.666 0.583 0.907 0.626 CB 1.792 108 residues pruned to eliminate duplicates Z: 59 49.697 2.361 0.573 0.576 0.897 0.586 CB 1.822 59 residues pruned to eliminate duplicates Z: 63 46.124 2.304 0.594 0.553 0.871 0.629 CB 1.739 63 residues pruned to eliminate duplicates Z: 93 59.504 2.291 0.563 0.552 0.957 0.620 CB 1.722 93 residues pruned to eliminate duplicates Z: 25 28.820 2.134 0.498 0.622 0.958 0.667 CB 1.711 25 residues pruned to eliminate duplicates Z: 101 63.743 2.301 0.617 0.587 0.890 0.660 CB 1.772 101 residues pruned to eliminate duplicates Z: 117 72.402 2.283 0.691 0.606 0.897 0.655 CB 1.757 117 residues pruned to eliminate duplicates Z: 107 72.624 2.291 0.644 0.612 0.934 0.651 CB 1.805 107 residues pruned to eliminate duplicates Z: 42 43.560 2.236 0.765 0.620 0.927 0.659 CB 1.662 42 residues pruned to eliminate duplicates Z: 65 45.095 2.235 0.698 0.521 0.891 0.562 CB 1.634 65 residues pruned to eliminate duplicates Z: 111 75.352 2.348 0.687 0.620 0.900 0.655 CB 1.799 111 residues pruned to eliminate duplicates Z: 147 93.099 2.355 0.678 0.629 0.932 0.644 CB 1.853 141 residues pruned to eliminate duplicates Z: 16 22.383 2.126 0.360 0.793 1.000 0.733 CB 1.547 16 residues pruned to eliminate duplicates Z: 20 17.209 2.009 0.510 0.547 0.895 0.684 CB 1.390 20 residues pruned to eliminate duplicates Z: 46 32.474 2.150 0.635 0.500 0.844 0.533 CB 1.631 46 residues pruned to eliminate duplicates Z: 39 21.101 2.079 0.448 0.440 0.868 0.500 CB 1.392 39 residues pruned to eliminate duplicates Z: 28 29.490 2.154 0.411 0.653 1.000 0.741 CB 1.620 28 residues pruned to eliminate duplicates Z: 29 21.566 2.121 0.378 0.518 0.857 0.536 CB 1.598 29 residues pruned to eliminate duplicates Z: 53 44.249 2.234 0.632 0.584 0.942 0.673 CB 1.648 53 residues pruned to eliminate duplicates Z: 106 70.938 2.313 0.613 0.602 0.933 0.619 CB 1.805 106 residues pruned to eliminate duplicates Z: 35 29.614 2.188 0.487 0.521 0.912 0.676 CB 1.677 35 residues pruned to eliminate duplicates Z: 37 33.803 2.215 0.656 0.505 0.917 0.583 CB 1.667 37 residues pruned to eliminate duplicates Z: 109 70.906 2.321 0.663 0.573 0.926 0.630 CB 1.780 109 residues pruned to eliminate duplicates Z: 44 27.863 2.105 0.430 0.483 0.907 0.558 CB 1.583 44 residues pruned to eliminate duplicates Z: 100 68.383 2.284 0.566 0.627 0.960 0.687 CB 1.777 100 residues pruned to eliminate duplicates Z: 55 45.514 2.269 0.672 0.565 0.926 0.667 CB 1.655 55 residues pruned to eliminate duplicates Z: 31 36.243 2.280 0.624 0.571 0.967 0.733 CB 1.726 31 residues pruned to eliminate duplicates Z: 44 28.411 2.126 0.509 0.482 0.907 0.581 CB 1.516 44 residues pruned to eliminate duplicates Z: 116 77.058 2.338 0.644 0.614 0.939 0.661 CB 1.788 116 residues pruned to eliminate duplicates Z: 8 8.938 2.034 0.490 0.303 0.857 0.714 CA 1.620 8 residues pruned to eliminate duplicates Z: 38 24.847 2.075 0.484 0.441 0.919 0.541 CB 1.535 38 residues pruned to eliminate duplicates Z: 133 74.457 2.307 0.623 0.556 0.924 0.652 CB 1.773 133 residues pruned to eliminate duplicates Z: 44 25.391 2.090 0.429 0.447 0.884 0.535 CB 1.550 44 residues pruned to eliminate duplicates Z: 12 9.541 1.992 0.461 0.357 0.818 0.455 CB 1.409 12 residues pruned to eliminate duplicates Z: 11 9.033 2.073 0.367 0.368 0.900 0.300 CB 1.290 11 residues pruned to eliminate duplicates Z: 12 7.435 2.003 0.330 0.362 0.818 0.364 CB 1.193 12 residues pruned to eliminate duplicates Z: 15 7.587 1.935 0.258 0.313 0.857 0.143 CB 1.196 15 residues pruned to eliminate duplicates Z: 13 6.329 1.975 0.217 0.236 0.833 0.250 CB 1.239 13 residues pruned to eliminate duplicates Z: 22 13.167 1.997 0.484 0.300 0.810 0.524 CB 1.497 22 residues pruned to eliminate duplicates Z: 117 68.043 2.313 0.532 0.610 0.931 0.655 CB 1.725 117 residues pruned to eliminate duplicates Z: 93 52.338 2.320 0.541 0.509 0.924 0.641 CB 1.637 93 residues pruned to eliminate duplicates Z: 86 53.040 2.281 0.664 0.485 0.918 0.553 CB 1.677 86 residues pruned to eliminate duplicates Z: 76 47.120 2.281 0.557 0.524 0.907 0.600 CB 1.651 76 residues pruned to eliminate duplicates Z: 57 42.589 2.271 0.608 0.471 0.929 0.554 CB 1.728 57 residues pruned to eliminate duplicates Z: 68 33.859 2.201 0.519 0.436 0.866 0.597 CB 1.526 68 residues pruned to eliminate duplicates Z: 45 22.207 2.095 0.560 0.367 0.864 0.568 CB 1.368 45 residues pruned to eliminate duplicates Z: 16 16.754 2.093 0.408 0.637 0.800 0.800 CB 1.614 16 residues pruned to eliminate duplicates Z: 45 53.073 2.448 0.674 0.598 0.977 0.705 CB 1.819 45 residues pruned to eliminate duplicates Z: 41 49.256 2.381 0.714 0.613 0.950 0.700 CB 1.803 41 residues pruned to eliminate duplicates Z: 62 38.831 2.221 0.682 0.453 0.918 0.590 CB 1.522 62 residues pruned to eliminate duplicates Z: 44 52.944 2.447 0.712 0.613 0.977 0.767 CB 1.774 44 residues pruned to eliminate duplicates Z: 65 42.638 2.286 0.619 0.468 0.938 0.609 CB 1.587 65 residues pruned to eliminate duplicates Z: 86 48.059 2.242 0.504 0.512 0.929 0.588 CB 1.643 86 residues pruned to eliminate duplicates Z: 75 55.761 2.379 0.599 0.567 0.946 0.662 CB 1.689 75 residues pruned to eliminate duplicates Z: 50 45.226 2.336 0.588 0.561 0.959 0.673 CB 1.712 50 residues pruned to eliminate duplicates Z: 57 53.499 2.379 0.658 0.575 0.964 0.714 CB 1.749 57 residues pruned to eliminate duplicates Z: 136 72.110 2.339 0.585 0.554 0.926 0.607 CB 1.714 136 residues pruned to eliminate duplicates Z: 48 50.336 2.413 0.745 0.561 0.936 0.681 CB 1.755 48 residues pruned to eliminate duplicates Z: 42 46.897 2.392 0.742 0.563 0.951 0.610 CB 1.739 42 residues pruned to eliminate duplicates Z: 75 60.434 2.385 0.580 0.592 0.973 0.770 CB 1.754 75 residues pruned to eliminate duplicates Z: 27 24.835 2.263 0.453 0.547 0.923 0.692 CB 1.533 27 residues pruned to eliminate duplicates Z: 73 52.965 2.374 0.547 0.581 0.917 0.736 CB 1.716 73 residues pruned to eliminate duplicates Z: 116 61.626 2.269 0.622 0.517 0.930 0.643 CB 1.651 116 residues pruned to eliminate duplicates Z: 73 59.583 2.367 0.600 0.607 0.958 0.750 CB 1.748 73 residues pruned to eliminate duplicates Z: 169 72.660 2.295 0.525 0.534 0.917 0.589 CB 1.691 169 residues pruned to eliminate duplicates Z: 79 56.436 2.365 0.556 0.563 0.949 0.705 CB 1.722 79 residues pruned to eliminate duplicates Z: 74 49.699 2.283 0.657 0.495 0.932 0.630 CB 1.659 74 residues pruned to eliminate duplicates Z: 73 59.115 2.400 0.611 0.579 0.958 0.722 CB 1.743 73 residues pruned to eliminate duplicates Z: 59 47.063 2.401 0.583 0.572 0.897 0.690 CB 1.691 59 residues pruned to eliminate duplicates Z: 90 54.071 2.335 0.590 0.519 0.899 0.697 CB 1.686 90 residues pruned to eliminate duplicates Z: 61 50.927 2.386 0.604 0.564 0.933 0.667 CB 1.730 61 residues pruned to eliminate duplicates Z: 72 57.560 2.387 0.636 0.585 0.930 0.718 CB 1.734 72 residues pruned to eliminate duplicates Z: 51 47.133 2.366 0.629 0.558 0.920 0.660 CB 1.777 51 residues pruned to eliminate duplicates Z: 45 47.034 2.337 0.670 0.573 0.955 0.636 CB 1.773 45 residues pruned to eliminate duplicates Z: 69 47.016 2.333 0.602 0.513 0.882 0.603 CB 1.707 69 residues pruned to eliminate duplicates Z: 47 48.149 2.408 0.589 0.571 0.978 0.696 CB 1.770 47 residues pruned to eliminate duplicates Z: 98 62.150 2.298 0.677 0.537 0.918 0.660 CB 1.720 98 residues pruned to eliminate duplicates Z: 75 60.814 2.382 0.685 0.575 0.946 0.689 CB 1.731 75 residues pruned to eliminate duplicates Z: 84 52.389 2.334 0.538 0.533 0.916 0.614 CB 1.695 84 residues pruned to eliminate duplicates Z: 81 50.507 2.341 0.555 0.529 0.900 0.625 CB 1.675 81 residues pruned to eliminate duplicates Z: 49 44.044 2.363 0.694 0.539 0.917 0.646 CB 1.668 49 residues pruned to eliminate duplicates Z: 74 58.225 2.392 0.646 0.584 0.932 0.699 CB 1.714 74 residues pruned to eliminate duplicates Z: 12 6.788 2.155 0.513 0.342 0.636 0.455 CB 1.172 12 residues pruned to eliminate duplicates Z: 80 56.060 2.340 0.652 0.550 0.911 0.620 CB 1.706 80 residues pruned to eliminate duplicates Z: 60 50.996 2.337 0.754 0.551 0.932 0.576 CB 1.652 60 residues pruned to eliminate duplicates Z: 36 36.372 2.359 0.541 0.591 0.943 0.686 CB 1.644 36 residues pruned to eliminate duplicates Z: 57 49.717 2.354 0.685 0.567 0.911 0.571 CB 1.723 57 residues pruned to eliminate duplicates Z: 37 33.023 2.293 0.542 0.523 0.917 0.611 CB 1.659 37 residues pruned to eliminate duplicates Z: 47 46.926 2.408 0.687 0.566 0.913 0.674 CB 1.751 47 residues pruned to eliminate duplicates Z: 75 55.925 2.362 0.632 0.546 0.946 0.622 CB 1.706 75 residues pruned to eliminate duplicates Z: 14 16.281 2.244 0.563 0.508 0.769 0.615 CB 1.661 14 residues pruned to eliminate duplicates Z: 60 52.123 2.396 0.711 0.551 0.915 0.627 CB 1.720 60 residues pruned to eliminate duplicates Z: 72 61.962 2.411 0.680 0.595 0.944 0.676 CB 1.758 72 residues pruned to eliminate duplicates Z: 36 36.706 2.355 0.544 0.588 0.943 0.771 CB 1.663 36 residues pruned to eliminate duplicates Z: 37 31.551 2.275 0.526 0.545 0.889 0.611 CB 1.631 37 residues pruned to eliminate duplicates Z: 59 51.701 2.343 0.779 0.563 0.914 0.569 CB 1.676 59 residues pruned to eliminate duplicates Z: 36 35.589 2.375 0.585 0.555 0.914 0.714 CB 1.656 36 residues pruned to eliminate duplicates Z: 43 49.922 2.457 0.802 0.572 0.905 0.619 CB 1.794 43 residues pruned to eliminate duplicates Z: 29 33.005 2.334 0.585 0.554 0.964 0.821 CB 1.659 29 residues pruned to eliminate duplicates Z: 29 31.199 2.323 0.480 0.590 0.929 0.786 CB 1.695 29 residues pruned to eliminate duplicates Z: 37 35.675 2.317 0.637 0.554 0.917 0.750 CB 1.622 37 residues pruned to eliminate duplicates Z: 36 34.133 2.320 0.548 0.546 0.886 0.629 CB 1.733 36 residues pruned to eliminate duplicates Z: 19 20.806 2.130 0.293 0.610 1.000 0.833 CB 1.605 19 residues pruned to eliminate duplicates Z: 77 52.754 2.374 0.638 0.544 0.895 0.658 CB 1.666 77 residues pruned to eliminate duplicates Z: 21 22.014 2.126 0.472 0.546 0.950 0.750 CB 1.582 21 residues pruned to eliminate duplicates Z: 35 27.821 2.222 0.552 0.485 0.912 0.500 CB 1.541 35 residues pruned to eliminate duplicates Z: 84 58.449 2.339 0.683 0.530 0.916 0.627 CB 1.727 84 residues pruned to eliminate duplicates Z: 19 19.225 2.134 0.347 0.577 0.944 0.833 CB 1.550 19 residues pruned to eliminate duplicates Z: 29 35.385 2.327 0.663 0.580 0.964 0.714 CB 1.659 29 residues pruned to eliminate duplicates Z: 33 31.702 2.295 0.546 0.523 0.938 0.688 CB 1.646 33 residues pruned to eliminate duplicates Z: 36 37.272 2.276 0.652 0.565 0.943 0.629 CB 1.668 36 residues pruned to eliminate duplicates Z: 35 28.770 2.230 0.503 0.502 0.882 0.706 CB 1.665 35 residues pruned to eliminate duplicates Z: 37 33.454 2.275 0.625 0.546 0.889 0.694 CB 1.622 37 residues pruned to eliminate duplicates Z: 77 54.619 2.323 0.703 0.518 0.934 0.592 CB 1.664 77 residues pruned to eliminate duplicates Z: 35 34.624 2.330 0.595 0.513 0.912 0.735 CB 1.730 35 residues pruned to eliminate duplicates Z: 34 28.113 2.192 0.533 0.446 0.939 0.606 CB 1.638 34 residues pruned to eliminate duplicates Z: 43 34.557 2.290 0.616 0.482 0.905 0.595 CB 1.622 43 residues pruned to eliminate duplicates Z: 75 63.006 2.356 0.789 0.546 0.932 0.554 CB 1.782 75 residues pruned to eliminate duplicates Z: 43 40.853 2.314 0.697 0.485 0.929 0.714 CB 1.755 43 residues pruned to eliminate duplicates Z: 8 16.653 2.362 0.618 0.419 1.000 0.857 CA 1.792 8 residues pruned to eliminate duplicates Z: 28 25.739 2.157 0.542 0.489 0.889 0.741 CB 1.693 28 residues pruned to eliminate duplicates Z: 9 12.128 2.191 0.870 0.399 0.750 0.750 CA 1.552 9 residues pruned to eliminate duplicates Z: 47 55.252 2.371 0.962 0.566 0.870 0.587 C 1.890 47 residues pruned to eliminate duplicates Z: 40 45.711 2.339 0.829 0.587 0.872 0.513 CB 1.806 40 residues pruned to eliminate duplicates Z: 41 47.223 2.321 0.893 0.600 0.850 0.575 C 1.818 41 residues pruned to eliminate duplicates Z: 39 55.859 2.447 0.872 0.620 0.921 0.579 CB 1.917 39 residues pruned to eliminate duplicates Z: 40 48.670 2.403 0.846 0.595 0.872 0.641 CB 1.842 40 residues pruned to eliminate duplicates Z: 41 54.868 2.427 0.923 0.590 0.900 0.600 CB 1.895 41 residues pruned to eliminate duplicates Z: 45 57.899 2.439 0.922 0.581 0.886 0.636 C 1.942 45 residues pruned to eliminate duplicates Z: 37 49.806 2.381 0.826 0.625 0.917 0.639 CB 1.852 37 residues pruned to eliminate duplicates Z: 39 56.418 2.423 0.963 0.601 0.921 0.553 CB 1.897 39 residues pruned to eliminate duplicates Z: 39 53.532 2.428 0.856 0.612 0.895 0.632 CA 1.936 39 residues pruned to eliminate duplicates Z: 41 50.373 2.367 0.912 0.557 0.900 0.550 CB 1.849 41 residues pruned to eliminate duplicates Z: 42 49.061 2.377 0.859 0.569 0.902 0.561 CB 1.798 42 residues pruned to eliminate duplicates Z: 38 56.680 2.405 0.909 0.639 0.946 0.595 C 1.885 38 residues pruned to eliminate duplicates Z: 42 50.676 2.339 0.960 0.555 0.902 0.585 CB 1.814 42 residues pruned to eliminate duplicates Z: 138 87.485 2.365 0.669 0.630 0.898 0.628 CB 1.866 138 residues pruned to eliminate duplicates Z: 39 58.387 2.427 0.869 0.622 0.947 0.605 CB 1.964 39 residues pruned to eliminate duplicates Z: 41 56.388 2.385 1.055 0.578 0.900 0.525 CB 1.874 41 residues pruned to eliminate duplicates Z: 138 91.932 2.405 0.645 0.641 0.934 0.635 CB 1.863 138 residues pruned to eliminate duplicates Z: 43 50.796 2.349 0.824 0.567 0.905 0.595 CB 1.894 43 residues pruned to eliminate duplicates Z: 81 69.016 2.381 0.854 0.549 0.950 0.575 CB 1.754 47 residues pruned to eliminate duplicates Z: 17 53.549 2.428 1.185 0.874 0.938 0.875 CB 1.959 17 residues pruned to eliminate duplicates Z: 64 58.246 2.387 0.753 0.526 0.937 0.619 CB 1.825 64 residues pruned to eliminate duplicates Z: 42 56.653 2.419 0.951 0.577 0.927 0.634 CB 1.878 42 residues pruned to eliminate duplicates Z: 39 57.812 2.468 0.948 0.617 0.895 0.579 CB 1.953 39 residues pruned to eliminate duplicates Z: 65 65.608 2.374 0.881 0.543 0.969 0.625 CB 1.817 65 residues pruned to eliminate duplicates Z: 40 53.140 2.342 0.901 0.624 0.923 0.538 CB 1.841 40 residues pruned to eliminate duplicates Z: 215 96.610 2.349 0.702 0.544 0.902 0.570 CB 1.755 190 residues pruned to eliminate duplicates Z: 11 14.360 2.210 0.369 0.634 0.900 0.600 CA 1.470 11 residues pruned to eliminate duplicates Z: 48 55.618 2.358 0.847 0.560 0.936 0.681 CB 1.877 48 residues pruned to eliminate duplicates Z: 93 57.022 2.315 0.669 0.509 0.902 0.652 CB 1.690 94 residues pruned to eliminate duplicates Z: 9 18.510 2.299 0.257 0.885 1.000 0.875 CA 1.635 9 residues pruned to eliminate duplicates Z: 41 55.048 2.394 0.893 0.569 0.950 0.550 CB 1.891 41 residues pruned to eliminate duplicates Z: 39 56.528 2.420 0.965 0.599 0.921 0.579 CB 1.906 39 residues pruned to eliminate duplicates Z: 41 52.709 2.356 0.925 0.566 0.925 0.575 CB 1.863 41 residues pruned to eliminate duplicates Z: 47 59.702 2.438 0.891 0.569 0.935 0.587 CB 1.911 47 residues pruned to eliminate duplicates Z: 40 53.979 2.401 0.869 0.580 0.923 0.538 CB 1.932 40 residues pruned to eliminate duplicates Z: 41 59.041 2.425 1.039 0.572 0.925 0.475 CB 1.904 41 residues pruned to eliminate duplicates Z: 121 74.714 2.353 0.587 0.601 0.917 0.617 CB 1.809 65 residues pruned to eliminate duplicates Z: 16 31.922 2.419 0.441 0.789 0.933 0.867 C 1.966 16 residues pruned to eliminate duplicates Z: 27 38.057 2.326 0.501 0.727 0.923 0.692 CB 1.887 27 residues pruned to eliminate duplicates Z: 62 51.623 2.408 0.385 0.615 0.934 0.672 CB 1.902 62 residues pruned to eliminate duplicates Z: 51 50.370 2.367 0.536 0.613 0.940 0.640 CB 1.874 51 residues pruned to eliminate duplicates Z: 60 53.543 2.347 0.575 0.624 0.881 0.644 C 1.905 60 residues pruned to eliminate duplicates Z: 16 31.590 2.260 0.678 0.804 0.933 0.800 C 1.768 16 residues pruned to eliminate duplicates Z: 60 56.438 2.357 0.638 0.630 0.898 0.661 CB 1.875 60 residues pruned to eliminate duplicates Z: 16 34.195 2.278 0.846 0.804 0.933 0.800 C 1.725 16 residues pruned to eliminate duplicates Z: 16 40.331 2.205 1.229 0.843 0.933 0.733 C 1.691 16 residues pruned to eliminate duplicates Z: 26 45.537 2.315 0.932 0.736 0.880 0.800 C 1.872 26 residues pruned to eliminate duplicates Z: 114 70.462 2.324 0.591 0.581 0.929 0.619 CB 1.785 114 residues pruned to eliminate duplicates Z: 102 73.546 2.335 0.633 0.634 0.931 0.624 CB 1.819 102 residues pruned to eliminate duplicates Z: 161 79.065 2.308 0.632 0.545 0.894 0.600 CB 1.778 80 residues pruned to eliminate duplicates Z: 14 50.298 2.413 1.243 0.920 1.000 0.462 C 1.816 14 residues pruned to eliminate duplicates Z: 64 61.359 2.406 0.581 0.615 0.952 0.635 CB 1.913 64 residues pruned to eliminate duplicates Z: 65 59.431 2.383 0.616 0.599 0.906 0.609 C 1.937 65 residues pruned to eliminate duplicates Z: 15 17.840 2.017 0.564 0.536 0.929 0.500 CB 1.572 15 residues pruned to eliminate duplicates Z: 59 57.042 2.378 0.541 0.657 0.948 0.603 CB 1.863 59 residues pruned to eliminate duplicates Z: 99 68.637 2.313 0.592 0.616 0.929 0.592 CB 1.817 99 residues pruned to eliminate duplicates Z: 51 42.402 2.369 0.400 0.548 0.940 0.520 CB 1.836 51 residues pruned to eliminate duplicates Z: 64 66.090 2.409 0.736 0.627 0.921 0.603 CB 1.920 64 residues pruned to eliminate duplicates Z: 65 52.323 2.339 0.586 0.569 0.922 0.531 CB 1.789 65 residues pruned to eliminate duplicates Z: 111 72.416 2.341 0.593 0.610 0.918 0.655 CB 1.816 111 residues pruned to eliminate duplicates Z: 116 76.497 2.366 0.608 0.609 0.913 0.539 CB 1.851 116 residues pruned to eliminate duplicates Z: 47 41.949 2.368 0.474 0.572 0.891 0.565 CB 1.854 47 residues pruned to eliminate duplicates Z: 81 65.372 2.345 0.685 0.618 0.900 0.600 CB 1.839 81 residues pruned to eliminate duplicates Z: 62 53.989 2.309 0.692 0.579 0.885 0.541 C 1.852 62 residues pruned to eliminate duplicates Z: 85 58.051 2.345 0.489 0.618 0.893 0.631 CB 1.817 85 residues pruned to eliminate duplicates Z: 119 75.392 2.311 0.677 0.605 0.915 0.534 CB 1.771 119 residues pruned to eliminate duplicates Z: 57 52.186 2.347 0.574 0.618 0.946 0.571 CB 1.784 57 residues pruned to eliminate duplicates Z: 37 45.100 2.325 0.789 0.623 0.861 0.667 CB 1.870 37 residues pruned to eliminate duplicates Z: 78 64.436 2.334 0.574 0.633 0.935 0.584 CB 1.887 78 residues pruned to eliminate duplicates Z: 107 72.677 2.336 0.638 0.613 0.915 0.689 CB 1.811 107 residues pruned to eliminate duplicates Z: 53 45.476 2.271 0.528 0.526 0.942 0.481 C 1.881 53 residues pruned to eliminate duplicates Z: 67 56.261 2.364 0.562 0.615 0.894 0.545 CB 1.882 67 residues pruned to eliminate duplicates Z: 94 61.546 2.297 0.544 0.601 0.925 0.634 CB 1.768 94 residues pruned to eliminate duplicates Z: 47 42.275 2.351 0.460 0.575 0.913 0.565 CB 1.850 47 residues pruned to eliminate duplicates Z: 78 71.963 2.325 0.736 0.650 0.935 0.610 C 1.889 78 residues pruned to eliminate duplicates Z: 63 58.101 2.357 0.596 0.633 0.919 0.694 CB 1.884 63 residues pruned to eliminate duplicates Z: 117 71.002 2.335 0.567 0.609 0.905 0.647 CB 1.795 117 residues pruned to eliminate duplicates Z: 94 64.906 2.308 0.585 0.583 0.935 0.624 CB 1.816 94 residues pruned to eliminate duplicates Z: 62 52.339 2.339 0.526 0.606 0.902 0.574 CB 1.883 62 residues pruned to eliminate duplicates Z: 50 49.305 2.399 0.548 0.566 0.939 0.469 CB 1.895 50 residues pruned to eliminate duplicates Z: 108 66.678 2.301 0.607 0.589 0.888 0.654 CB 1.803 108 residues pruned to eliminate duplicates Z: 108 74.299 2.335 0.636 0.627 0.925 0.636 CB 1.803 108 residues pruned to eliminate duplicates Z: 51 46.736 2.384 0.483 0.577 0.920 0.560 CB 1.887 51 residues pruned to eliminate duplicates Z: 104 71.662 2.286 0.711 0.578 0.903 0.573 C 1.855 104 residues pruned to eliminate duplicates Z: 45 42.895 2.352 0.566 0.591 0.886 0.591 CB 1.817 45 residues pruned to eliminate duplicates Z: 95 61.318 2.314 0.559 0.602 0.904 0.617 CB 1.760 95 residues pruned to eliminate duplicates Z: 46 49.411 2.414 0.562 0.613 0.911 0.600 CB 1.926 46 residues pruned to eliminate duplicates Z: 110 68.574 2.319 0.549 0.612 0.908 0.633 CB 1.812 110 residues pruned to eliminate duplicates Z: 12 13.894 1.982 0.626 0.609 0.909 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 16.642 2.039 0.748 0.633 1.000 0.700 CB 1.304 11 residues pruned to eliminate duplicates Z: 36 17.266 1.838 0.514 0.563 0.886 0.571 CB 1.113 36 residues pruned to eliminate duplicates Z: 16 14.793 1.945 0.743 0.551 0.867 0.733 CB 1.236 16 residues pruned to eliminate duplicates Z: 57 29.889 1.918 0.772 0.584 0.911 0.518 CB 1.190 57 residues pruned to eliminate duplicates Z: 8 13.579 1.936 0.699 0.862 1.000 0.571 CB 1.146 8 residues pruned to eliminate duplicates Z: 35 17.957 1.950 0.404 0.505 0.853 0.588 CB 1.311 35 residues pruned to eliminate duplicates Z: 35 21.111 2.026 0.372 0.528 0.912 0.618 CB 1.390 35 residues pruned to eliminate duplicates Z: 34 19.237 1.993 0.330 0.508 0.909 0.545 CB 1.379 34 residues pruned to eliminate duplicates Z: 19 13.722 2.068 0.073 0.549 0.944 0.778 CB 1.472 19 residues pruned to eliminate duplicates Z: 26 19.085 2.075 0.247 0.530 0.960 0.720 CB 1.491 26 residues pruned to eliminate duplicates Z: 73 31.880 1.945 0.532 0.588 0.931 0.667 CB 1.245 73 residues pruned to eliminate duplicates Z: 19 15.485 2.076 0.166 0.565 0.944 0.778 CB 1.498 19 residues pruned to eliminate duplicates Z: 38 18.426 1.982 0.403 0.527 0.865 0.622 CB 1.226 38 residues pruned to eliminate duplicates Z: 19 13.203 1.990 0.117 0.555 0.944 0.722 CB 1.405 19 residues pruned to eliminate duplicates Z: 19 15.693 2.054 0.262 0.557 0.944 0.778 CB 1.429 19 residues pruned to eliminate duplicates Z: 19 15.561 2.065 0.306 0.546 0.944 0.722 CB 1.376 19 residues pruned to eliminate duplicates Z: 75 34.271 1.961 0.581 0.589 0.932 0.730 CB 1.265 75 residues pruned to eliminate duplicates Z: 36 20.551 1.979 0.440 0.555 0.914 0.600 CB 1.263 34 residues pruned to eliminate duplicates Z: 12 18.054 1.968 0.415 0.923 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 11 22.414 2.107 0.436 0.882 1.000 0.900 CB 1.695 12 residues pruned to eliminate duplicates Z: 11 26.137 2.094 0.657 0.917 1.000 0.700 CB 1.682 10 residues pruned to eliminate duplicates Z: 11 26.373 2.074 0.686 0.885 1.000 0.800 CB 1.721 11 residues pruned to eliminate duplicates Z: 11 28.154 2.089 0.821 0.914 1.000 0.900 CB 1.655 11 residues pruned to eliminate duplicates Z: 12 22.412 1.966 0.730 0.858 1.000 0.727 C 1.463 12 residues pruned to eliminate duplicates Z: 84 56.129 2.293 0.538 0.633 0.928 0.699 CB 1.663 84 residues pruned to eliminate duplicates Z: 40 46.881 2.365 0.730 0.587 0.923 0.692 CB 1.828 40 residues pruned to eliminate duplicates Z: 83 58.930 2.252 0.663 0.606 0.927 0.573 CB 1.695 83 residues pruned to eliminate duplicates Z: 40 47.678 2.377 0.744 0.603 0.923 0.641 CB 1.808 40 residues pruned to eliminate duplicates Z: 25 22.359 2.296 0.370 0.455 0.875 0.583 CB 1.736 25 residues pruned to eliminate duplicates Z: 64 43.245 2.253 0.428 0.606 0.921 0.683 CB 1.663 64 residues pruned to eliminate duplicates Z: 65 54.646 2.268 0.628 0.640 0.938 0.594 CB 1.730 65 residues pruned to eliminate duplicates Z: 41 45.905 2.329 0.765 0.570 0.925 0.650 CB 1.783 41 residues pruned to eliminate duplicates Z: 40 50.729 2.352 0.828 0.612 0.949 0.564 CB 1.791 40 residues pruned to eliminate duplicates Z: 14 17.662 2.249 0.255 0.512 0.923 0.769 CB 1.858 14 residues pruned to eliminate duplicates Z: 41 42.341 2.289 0.654 0.591 0.900 0.675 CB 1.801 41 residues pruned to eliminate duplicates Z: 12 17.978 2.147 0.393 0.519 1.000 0.636 CA 1.779 12 residues pruned to eliminate duplicates Z: 99 69.480 2.306 0.648 0.655 0.939 0.653 CB 1.704 99 residues pruned to eliminate duplicates Z: 80 59.621 2.235 0.601 0.633 0.937 0.608 CB 1.766 80 residues pruned to eliminate duplicates Z: 77 64.142 2.293 0.672 0.661 0.961 0.645 CB 1.721 77 residues pruned to eliminate duplicates Z: 77 58.520 2.292 0.559 0.628 0.934 0.592 CB 1.782 77 residues pruned to eliminate duplicates Z: 77 62.985 2.287 0.609 0.675 0.961 0.632 CB 1.740 77 residues pruned to eliminate duplicates Z: 36 37.518 2.213 0.569 0.632 0.914 0.571 CB 1.765 36 residues pruned to eliminate duplicates Z: 99 75.608 2.292 0.757 0.662 0.939 0.612 CB 1.739 99 residues pruned to eliminate duplicates Z: 54 62.433 2.363 0.744 0.691 0.962 0.660 CB 1.815 54 residues pruned to eliminate duplicates Z: 99 74.383 2.297 0.714 0.662 0.949 0.694 CB 1.730 99 residues pruned to eliminate duplicates Z: 21 31.501 2.180 0.569 0.801 0.900 0.550 CB 1.759 21 residues pruned to eliminate duplicates Z: 97 70.821 2.277 0.732 0.669 0.917 0.635 CB 1.710 97 residues pruned to eliminate duplicates Z: 22 36.479 2.202 0.667 0.798 0.952 0.762 CB 1.755 22 residues pruned to eliminate duplicates Z: 65 46.680 2.223 0.563 0.576 0.938 0.562 CB 1.665 65 residues pruned to eliminate duplicates Z: 74 53.847 2.241 0.584 0.651 0.945 0.616 CB 1.632 74 residues pruned to eliminate duplicates Z: 98 72.898 2.329 0.706 0.659 0.918 0.680 CB 1.751 98 residues pruned to eliminate duplicates Z: 100 69.664 2.280 0.689 0.654 0.919 0.687 CB 1.714 100 residues pruned to eliminate duplicates Z: 62 55.831 2.305 0.702 0.638 0.902 0.705 CB 1.776 62 residues pruned to eliminate duplicates Z: 78 63.860 2.309 0.681 0.652 0.935 0.727 CB 1.741 78 residues pruned to eliminate duplicates Z: 62 57.788 2.353 0.641 0.633 0.934 0.721 CB 1.810 62 residues pruned to eliminate duplicates Z: 76 56.835 2.251 0.577 0.643 0.973 0.613 CB 1.662 76 residues pruned to eliminate duplicates Z: 78 60.709 2.278 0.651 0.654 0.909 0.649 CB 1.754 78 residues pruned to eliminate duplicates Z: 63 45.914 2.251 0.492 0.630 0.919 0.710 CB 1.671 63 residues pruned to eliminate duplicates Z: 71 57.065 2.252 0.640 0.684 0.943 0.671 CB 1.655 71 residues pruned to eliminate duplicates Z: 7 6.658 1.595 0.487 0.562 1.000 0.667 CA 1.079 7 residues pruned to eliminate duplicates Z: 67 57.138 2.290 0.681 0.611 0.955 0.591 CB 1.723 67 residues pruned to eliminate duplicates Z: 42 36.843 2.189 0.558 0.569 0.976 0.537 CB 1.617 42 residues pruned to eliminate duplicates Z: 101 70.111 2.274 0.707 0.641 0.940 0.680 CB 1.684 101 residues pruned to eliminate duplicates Z: 72 55.625 2.229 0.678 0.651 0.930 0.648 CB 1.649 72 residues pruned to eliminate duplicates Z: 35 40.456 2.226 0.745 0.730 0.912 0.706 CB 1.593 35 residues pruned to eliminate duplicates Z: 36 39.258 2.230 0.749 0.705 0.886 0.657 CB 1.594 36 residues pruned to eliminate duplicates Z: 98 68.660 2.291 0.666 0.673 0.918 0.670 CB 1.696 98 residues pruned to eliminate duplicates Z: 98 71.656 2.303 0.741 0.680 0.918 0.701 CB 1.676 98 residues pruned to eliminate duplicates Z: 14 27.971 2.096 0.788 0.821 1.000 0.846 CB 1.568 14 residues pruned to eliminate duplicates Z: 36 37.658 2.214 0.715 0.687 0.886 0.686 CB 1.594 36 residues pruned to eliminate duplicates Z: 96 66.207 2.287 0.658 0.652 0.926 0.632 CB 1.678 96 residues pruned to eliminate duplicates Z: 99 71.074 2.326 0.690 0.664 0.918 0.673 CB 1.708 99 residues pruned to eliminate duplicates Z: 78 53.130 2.213 0.611 0.638 0.922 0.636 CB 1.618 78 residues pruned to eliminate duplicates Z: 127 79.845 2.300 0.691 0.633 0.937 0.635 CB 1.724 105 residues pruned to eliminate duplicates Z: 15 28.003 2.001 0.889 0.758 1.000 0.571 CA 1.574 15 residues pruned to eliminate duplicates Z: 47 51.243 2.280 0.869 0.569 0.935 0.587 CB 1.775 46 residues pruned to eliminate duplicates Z: 6 4.945 1.626 1.001 0.364 0.800 0.400 C 0.982 6 residues pruned to eliminate duplicates Z: 13 11.378 1.886 0.450 0.382 0.917 0.583 CB 1.485 13 residues pruned to eliminate duplicates Z: 11 15.589 2.087 0.677 0.418 1.000 0.800 CB 1.535 11 residues pruned to eliminate duplicates Z: 48 43.639 2.293 0.660 0.557 0.915 0.638 CB 1.729 48 residues pruned to eliminate duplicates Z: 14 9.073 1.935 0.613 0.233 0.923 0.615 CB 1.192 14 residues pruned to eliminate duplicates Z: 51 38.137 2.204 0.649 0.514 0.920 0.600 CB 1.592 51 residues pruned to eliminate duplicates Z: 50 39.648 2.222 0.721 0.552 0.857 0.653 CB 1.643 50 residues pruned to eliminate duplicates Z: 38 43.502 2.331 0.613 0.632 0.919 0.568 CB 1.829 38 residues pruned to eliminate duplicates Z: 33 41.920 2.266 0.762 0.589 0.938 0.438 CB 1.818 33 residues pruned to eliminate duplicates Z: 39 35.652 2.239 0.674 0.591 0.868 0.579 CB 1.629 39 residues pruned to eliminate duplicates Z: 40 40.883 2.190 0.663 0.658 0.923 0.615 CB 1.682 40 residues pruned to eliminate duplicates Z: 43 44.764 2.266 0.813 0.578 0.905 0.595 CB 1.724 43 residues pruned to eliminate duplicates Z: 39 50.249 2.328 0.899 0.606 0.947 0.579 CB 1.760 39 residues pruned to eliminate duplicates Z: 42 44.506 2.284 0.729 0.579 0.951 0.634 CB 1.716 42 residues pruned to eliminate duplicates Z: 41 51.971 2.321 0.892 0.585 0.950 0.575 CB 1.817 41 residues pruned to eliminate duplicates Z: 17 53.434 2.433 1.009 0.906 1.000 0.875 C 1.944 17 residues pruned to eliminate duplicates Z: 35 50.909 2.320 0.838 0.651 0.941 0.647 CB 1.890 35 residues pruned to eliminate duplicates Z: 40 45.413 2.302 0.793 0.574 0.872 0.487 CB 1.883 40 residues pruned to eliminate duplicates Z: 36 56.843 2.395 0.881 0.656 0.971 0.629 CB 1.899 36 residues pruned to eliminate duplicates Z: 17 52.591 2.486 0.899 0.896 1.000 0.812 CA 1.994 17 residues pruned to eliminate duplicates Z: 39 49.204 2.343 0.781 0.623 0.947 0.553 CB 1.798 39 residues pruned to eliminate duplicates Z: 48 48.989 2.250 0.816 0.539 0.957 0.638 CB 1.758 48 residues pruned to eliminate duplicates Z: 48 49.093 2.301 0.814 0.564 0.936 0.638 CB 1.722 48 residues pruned to eliminate duplicates Z: 37 50.390 2.340 0.834 0.635 0.944 0.639 CB 1.826 37 residues pruned to eliminate duplicates Z: 36 52.678 2.359 0.849 0.647 0.943 0.714 CB 1.887 36 residues pruned to eliminate duplicates Z: 41 49.807 2.264 0.882 0.630 0.900 0.600 CB 1.817 41 residues pruned to eliminate duplicates Z: 38 49.411 2.263 0.899 0.624 0.946 0.541 CB 1.777 38 residues pruned to eliminate duplicates Z: 37 54.064 2.329 0.929 0.646 0.944 0.611 CA 1.853 37 residues pruned to eliminate duplicates Z: 37 49.555 2.261 1.013 0.647 0.889 0.528 CA 1.780 37 residues pruned to eliminate duplicates Z: 48 54.051 2.294 0.914 0.557 0.936 0.660 CB 1.814 48 residues pruned to eliminate duplicates Z: 38 51.523 2.297 0.917 0.614 0.946 0.568 CB 1.826 38 residues pruned to eliminate duplicates Z: 48 48.815 2.272 0.914 0.528 0.936 0.681 CB 1.702 48 residues pruned to eliminate duplicates Z: 49 47.589 2.237 0.930 0.532 0.917 0.542 CB 1.682 49 residues pruned to eliminate duplicates Z: 43 41.902 2.277 0.853 0.517 0.857 0.571 CB 1.757 43 residues pruned to eliminate duplicates Z: 43 47.374 2.320 0.884 0.569 0.881 0.500 CB 1.776 43 residues pruned to eliminate duplicates Z: 62 48.107 2.271 0.756 0.541 0.902 0.623 CB 1.645 48 residues pruned to eliminate duplicates Z: 10 16.032 2.096 0.284 0.762 1.000 0.667 CA 1.573 10 residues pruned to eliminate duplicates Z: 49 46.862 2.256 0.902 0.542 0.875 0.521 CB 1.730 49 residues pruned to eliminate duplicates Z: 49 47.094 2.252 0.858 0.526 0.917 0.604 CB 1.729 49 residues pruned to eliminate duplicates Z: 47 47.181 2.264 0.829 0.595 0.891 0.630 CB 1.722 47 residues pruned to eliminate duplicates Z: 87 55.868 2.256 0.677 0.503 0.907 0.488 CB 1.750 87 residues pruned to eliminate duplicates Z: 50 41.665 2.233 0.874 0.515 0.878 0.592 CB 1.597 50 residues pruned to eliminate duplicates Z: 38 49.504 2.352 0.951 0.593 0.892 0.541 CB 1.818 38 residues pruned to eliminate duplicates Z: 89 65.620 2.350 0.780 0.544 0.909 0.636 CB 1.762 89 residues pruned to eliminate duplicates Z: 95 69.032 2.333 0.641 0.628 0.915 0.606 CB 1.802 49 residues pruned to eliminate duplicates Z: 15 41.170 2.330 0.766 0.905 1.000 0.857 CA 1.902 15 residues pruned to eliminate duplicates Z: 17 31.661 2.263 0.824 0.758 0.875 0.812 CA 1.742 17 residues pruned to eliminate duplicates Z: 96 60.570 2.289 0.539 0.621 0.926 0.663 CB 1.697 59 residues pruned to eliminate duplicates Z: 13 41.002 2.559 0.614 0.927 1.000 0.917 CA 2.008 13 residues pruned to eliminate duplicates Z: 99 72.390 2.319 0.678 0.652 0.939 0.663 CB 1.738 97 residues pruned to eliminate duplicates Z: 15 39.415 2.390 0.732 0.923 0.929 0.786 CA 1.927 15 residues pruned to eliminate duplicates Z: 54 60.299 2.347 0.871 0.647 0.906 0.698 CB 1.817 54 residues pruned to eliminate duplicates Z: 40 44.357 2.385 0.636 0.591 0.923 0.692 CB 1.808 40 residues pruned to eliminate duplicates Z: 96 58.429 2.240 0.617 0.616 0.895 0.674 CB 1.657 96 residues pruned to eliminate duplicates Z: 40 46.632 2.385 0.689 0.590 0.923 0.538 CB 1.843 40 residues pruned to eliminate duplicates Z: 28 39.678 2.379 0.872 0.647 0.852 0.593 CB 1.755 28 residues pruned to eliminate duplicates Z: 28 43.939 2.320 0.901 0.700 0.852 0.593 C 1.875 28 residues pruned to eliminate duplicates Z: 79 59.903 2.286 0.695 0.619 0.897 0.641 CB 1.743 79 residues pruned to eliminate duplicates Z: 41 47.527 2.356 0.789 0.581 0.900 0.650 CB 1.832 41 residues pruned to eliminate duplicates Z: 40 45.291 2.370 0.789 0.587 0.872 0.667 CB 1.804 40 residues pruned to eliminate duplicates Z: 40 47.682 2.417 0.751 0.589 0.897 0.692 CB 1.846 40 residues pruned to eliminate duplicates Z: 100 64.027 2.299 0.580 0.641 0.899 0.667 CB 1.727 100 residues pruned to eliminate duplicates Z: 11 23.610 2.256 0.685 0.664 1.000 0.500 CB 1.687 11 residues pruned to eliminate duplicates Z: 39 47.480 2.362 0.769 0.587 0.895 0.711 CB 1.895 39 residues pruned to eliminate duplicates Z: 99 66.149 2.312 0.591 0.646 0.918 0.663 CB 1.725 99 residues pruned to eliminate duplicates Z: 83 53.975 2.297 0.470 0.627 0.927 0.707 CB 1.690 83 residues pruned to eliminate duplicates Z: 22 35.698 2.311 0.704 0.710 0.952 0.667 CB 1.717 22 residues pruned to eliminate duplicates Z: 8 9.896 1.828 1.131 0.441 0.857 0.714 CA 1.191 8 residues pruned to eliminate duplicates Z: 36 44.536 2.273 0.784 0.718 0.943 0.743 CB 1.616 36 residues pruned to eliminate duplicates Z: 24 32.881 2.192 0.639 0.672 0.957 0.652 CB 1.704 24 residues pruned to eliminate duplicates Z: 16 27.194 2.210 0.523 0.766 1.000 0.733 CB 1.649 16 residues pruned to eliminate duplicates Z: 102 64.847 2.227 0.674 0.642 0.931 0.653 CB 1.629 102 residues pruned to eliminate duplicates Z: 36 45.924 2.259 0.849 0.723 0.943 0.686 CB 1.611 36 residues pruned to eliminate duplicates Z: 99 74.608 2.318 0.711 0.671 0.949 0.745 CB 1.710 99 residues pruned to eliminate duplicates Z: 25 25.364 2.040 0.736 0.608 0.958 0.625 CB 1.376 25 residues pruned to eliminate duplicates Z: 98 75.654 2.322 0.743 0.673 0.938 0.722 CB 1.725 98 residues pruned to eliminate duplicates Z: 36 44.753 2.253 0.839 0.729 0.943 0.629 CB 1.575 36 residues pruned to eliminate duplicates Z: 14 27.956 1.918 0.733 0.906 1.000 0.846 CB 1.660 14 residues pruned to eliminate duplicates Z: 98 72.578 2.298 0.784 0.653 0.918 0.691 CB 1.699 98 residues pruned to eliminate duplicates Z: 138 89.017 2.302 0.819 0.635 0.920 0.650 CB 1.739 138 residues pruned to eliminate duplicates Z: 137 85.329 2.290 0.779 0.645 0.912 0.654 CB 1.720 137 residues pruned to eliminate duplicates Z: 96 70.124 2.262 0.737 0.671 0.937 0.674 CB 1.669 96 residues pruned to eliminate duplicates 460 residues left after pruning, divided into chains as follows: A: 12 B: 234 C: 74 D: 121 E: 19 CC for partial structure against native data = 40.72 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.381, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.427, Connect. = 0.773 for dens.mod. cycle 2 = 0.300, Contrast = 0.510, Connect. = 0.801 for dens.mod. cycle 3 = 0.300, Contrast = 0.514, Connect. = 0.802 for dens.mod. cycle 4 = 0.300, Contrast = 0.523, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 0.528, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 0.533, Connect. = 0.807 for dens.mod. cycle 7 = 0.300, Contrast = 0.537, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 0.541, Connect. = 0.808 for dens.mod. cycle 9 = 0.300, Contrast = 0.544, Connect. = 0.809 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 0.658 0.689 0.730 0.726 0.705 0.662 0.631 0.617 0.591 0.551 0.842 0.854 0.888 0.882 0.861 0.810 0.771 0.742 0.707 0.657 N 7274 7261 7153 7268 7291 7685 7258 6812 8052 6203 Estimated mean FOM = 0.657 Pseudo-free CC = 67.94 % Best trace (cycle 2 with CC 42.97%) was saved as ./2hi0-1.5-parrot-hancs/2hi0-1.5-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.6 - Setup, data input and phasing 10.8 - FFTs and peak-searches 26.5 - Sphere of influence 0.8 - Rest of density modification 0.0 - Alpha-helix search 2375.2 - Tripeptide search 14643.2 - Chain tracing 0.0 - NCS analysis 46.3 - B-value refinement for trace 0.1 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 21:00:06 Total time: 17103.64 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 286.92 Used memory is bytes: 5455032