++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:35:20 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: ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.ins Phases from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi Native data from ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.hkl Listing output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.lst Phases output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phs Poly-Ala trace output to ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 93715 Reflections read from file ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.phi 93715 Reflections read from file ./2pbl-1.8-parrot-noncs/2pbl-1.8-parrot-noncs.hkl 93715 Unique data, highest resolution = 1.790 Angstroms Anisotropic scaling: intensities multiplied by 0.000059h^2 -0.000125k^2 +0.000109l^2 +0.000000kl +0.000083hl +0.000000hk 121 Reflections with d > 1.990 and 0 in range 1.990 > d > 1.790 added Density sharpening factor set to 1.06 Fourier grid = 256 x 128 x 81 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.992 = 0.300, Contrast = 0.164, Connect. = 0.536 for dens.mod. cycle 1 = 0.300, Contrast = 0.394, Connect. = 0.636 for dens.mod. cycle 2 = 0.300, Contrast = 0.553, Connect. = 0.715 for dens.mod. cycle 3 = 0.300, Contrast = 0.601, Connect. = 0.739 for dens.mod. cycle 4 = 0.300, Contrast = 0.625, Connect. = 0.750 for dens.mod. cycle 5 = 0.300, Contrast = 0.639, Connect. = 0.757 for dens.mod. cycle 6 = 0.300, Contrast = 0.650, Connect. = 0.761 for dens.mod. cycle 7 = 0.300, Contrast = 0.658, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.663, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.668, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6295 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1100 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 15.145 1.898 0.685 0.909 1.000 0.875 CB 1.188 B: 7 10.293 2.005 0.045 0.904 1.000 1.000 CA 1.428 C: 19 24.625 1.944 0.546 0.928 1.000 0.944 CA 1.353 D: 19 26.951 1.924 0.911 0.919 0.944 0.944 CB 1.289 E: 20 22.339 1.931 0.501 0.912 1.000 0.737 CB 1.252 20 residues pruned to eliminate duplicates F: 12 12.596 1.803 0.570 0.927 1.000 0.636 CB 0.940 7 residues pruned to eliminate duplicates G: 15 20.485 2.047 0.466 0.916 0.929 0.857 CB 1.387 H: 15 20.003 2.033 0.389 0.886 1.000 0.643 CB 1.366 I: 9 13.996 1.915 0.843 0.573 0.875 0.750 CB 1.493 J: 22 21.919 1.820 0.652 0.829 0.952 0.714 CB 1.257 20 residues pruned to eliminate duplicates K: 14 10.383 1.707 0.286 0.908 0.923 0.846 CB 1.009 11 residues pruned to eliminate duplicates L: 12 11.915 1.932 0.959 0.609 0.909 0.727 CB 0.942 9 residues pruned to eliminate duplicates M: 11 12.820 1.827 0.456 0.899 1.000 1.000 CB 1.089 11 residues pruned to eliminate duplicates N: 9 18.772 1.987 0.625 0.886 1.000 0.875 CA 1.483 O: 17 25.436 1.914 0.784 0.932 1.000 0.875 CB 1.301 17 residues pruned to eliminate duplicates P: 10 13.772 1.901 0.688 0.880 0.889 0.667 CB 1.166 9 residues pruned to eliminate duplicates Q: 20 24.504 1.917 0.575 0.912 1.000 0.842 CA 1.319 R: 10 8.875 1.744 0.276 0.864 0.889 0.667 CB 1.096 S: 24 13.464 1.879 0.829 0.524 0.826 0.609 CB 0.966 T: 18 31.621 2.005 1.115 0.930 0.941 0.882 CB 1.343 U: 11 10.883 1.761 0.451 0.889 1.000 0.800 CB 0.969 12 residues pruned to eliminate duplicates V: 43 26.204 1.918 0.547 0.605 0.952 0.595 CB 1.294 15 residues pruned to eliminate duplicates W: 19 21.217 1.872 0.482 0.925 1.000 0.778 CB 1.265 19 residues pruned to eliminate duplicates X: 20 22.766 1.900 0.455 0.907 1.000 0.842 CA 1.343 20 residues pruned to eliminate duplicates Y: 22 19.036 1.973 0.760 0.631 0.952 0.619 CB 1.110 Z: 18 26.884 1.925 0.870 0.923 1.000 0.706 CB 1.273 20 residues pruned to eliminate duplicates Z: 10 15.800 1.952 0.581 0.829 0.889 0.889 CA 1.444 10 residues pruned to eliminate duplicates Z: 24 13.610 1.876 0.812 0.501 0.870 0.522 CB 0.959 24 residues pruned to eliminate duplicates Z: 16 13.171 1.860 0.460 0.852 0.933 0.867 CB 0.993 Z: 20 6.230 1.570 0.515 0.408 0.789 0.579 CB 0.838 7 residues pruned to eliminate duplicates Z: 20 24.840 1.889 0.614 0.929 1.000 0.947 CB 1.308 18 residues pruned to eliminate duplicates Z: 15 20.017 2.034 0.547 0.909 0.857 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 24 13.790 1.878 0.749 0.382 0.870 0.565 CB 1.141 Z: 15 23.646 2.060 0.537 0.915 1.000 0.857 CB 1.410 15 residues pruned to eliminate duplicates Z: 19 27.246 1.908 0.889 0.912 0.944 0.500 CA 1.336 18 residues pruned to eliminate duplicates Z: 20 32.215 1.898 1.011 0.939 1.000 0.579 CB 1.346 21 residues pruned to eliminate duplicates Z: 18 12.576 1.604 0.708 0.892 1.000 0.824 CB 0.800 Z: 20 28.677 1.858 0.961 0.903 1.000 0.579 CB 1.287 20 residues pruned to eliminate duplicates Z: 20 22.135 1.867 0.423 0.896 1.000 0.842 CB 1.370 21 residues pruned to eliminate duplicates Z: 9 16.205 1.980 0.486 0.884 1.000 0.875 CA 1.407 Z: 9 18.916 1.985 0.595 0.909 1.000 0.750 CA 1.499 9 residues pruned to eliminate duplicates Z: 22 22.604 1.855 0.470 0.919 1.000 0.857 CA 1.275 21 residues pruned to eliminate duplicates Z: 12 11.362 1.746 0.767 0.819 0.909 0.727 CB 0.927 Z: 18 27.966 1.984 1.018 0.950 0.941 0.588 CB 1.241 18 residues pruned to eliminate duplicates Z: 19 31.597 1.981 0.994 0.915 1.000 0.556 CA 1.332 20 residues pruned to eliminate duplicates Z: 14 11.635 1.929 0.360 0.913 0.923 0.846 CB 0.943 Z: 33 31.047 1.934 0.920 0.711 0.906 0.531 CB 1.347 44 residues pruned to eliminate duplicates Z: 14 8.661 1.763 0.557 0.460 1.000 0.615 CB 0.911 Z: 15 21.394 2.047 0.473 0.884 1.000 0.929 CA 1.370 15 residues pruned to eliminate duplicates Z: 9 6.347 1.836 0.131 0.754 1.000 0.750 CB 0.862 9 residues pruned to eliminate duplicates Z: 8 17.553 1.980 0.708 0.912 1.000 0.714 CA 1.389 8 residues pruned to eliminate duplicates Z: 8 18.074 1.896 0.665 0.851 1.000 0.857 CA 1.601 Z: 20 31.460 1.927 0.972 0.900 1.000 0.421 CA 1.356 19 residues pruned to eliminate duplicates Z: 19 27.868 1.968 0.852 0.913 1.000 0.778 CA 1.275 22 residues pruned to eliminate duplicates Z: 9 13.145 2.021 0.183 0.928 1.000 1.000 CB 1.362 10 residues pruned to eliminate duplicates Z: 8 11.956 1.906 0.618 0.849 1.000 0.571 CA 1.086 Z: 62 28.543 1.883 0.635 0.594 0.951 0.656 CB 1.141 16 residues pruned to eliminate duplicates Z: 7 11.119 2.027 0.526 0.844 1.000 0.833 CB 1.092 7 residues pruned to eliminate duplicates Z: 65 39.828 1.975 0.953 0.651 0.969 0.609 CB 1.158 30 residues pruned to eliminate duplicates Z: 14 11.930 1.747 0.663 0.894 1.000 0.846 CB 0.817 Z: 21 26.579 1.863 0.888 0.919 1.000 0.650 CB 1.191 21 residues pruned to eliminate duplicates Z: 24 10.729 1.831 0.745 0.468 0.826 0.522 CB 0.875 24 residues pruned to eliminate duplicates Z: 15 21.357 2.050 0.506 0.909 0.929 0.857 CB 1.413 15 residues pruned to eliminate duplicates Z: 63 30.931 1.889 0.793 0.600 0.952 0.613 CB 1.107 23 residues pruned to eliminate duplicates Z: 9 20.784 2.018 0.680 0.896 1.000 0.875 CA 1.553 9 residues pruned to eliminate duplicates Z: 10 16.275 1.655 0.624 0.925 1.000 0.889 N 1.417 10 residues pruned to eliminate duplicates Z: 20 23.518 1.849 0.639 0.930 1.000 0.895 CA 1.245 20 residues pruned to eliminate duplicates Z: 10 21.874 1.940 0.914 0.830 1.000 0.667 CA 1.477 9 residues pruned to eliminate duplicates Z: 10 17.842 1.922 0.418 0.915 1.000 0.667 CA 1.542 10 residues pruned to eliminate duplicates Z: 9 19.112 1.989 0.559 0.900 1.000 1.000 CA 1.556 9 residues pruned to eliminate duplicates Z: 8 19.453 1.896 0.807 0.855 1.000 0.857 CA 1.583 9 residues pruned to eliminate duplicates Z: 21 21.153 1.790 0.614 0.877 1.000 0.900 CA 1.189 19 residues pruned to eliminate duplicates Z: 63 33.019 1.939 0.658 0.610 0.919 0.661 CB 1.277 54 residues pruned to eliminate duplicates Z: 18 33.670 1.979 1.075 0.948 1.000 0.765 CB 1.373 20 residues pruned to eliminate duplicates Z: 9 13.316 1.940 0.408 0.821 0.875 0.875 CA 1.491 9 residues pruned to eliminate duplicates Z: 25 12.994 1.872 0.897 0.471 0.917 0.458 CB 0.840 26 residues pruned to eliminate duplicates Z: 10 12.321 1.873 0.317 0.814 1.000 0.889 CA 1.267 10 residues pruned to eliminate duplicates Z: 54 24.354 1.853 0.710 0.551 0.906 0.642 CB 1.110 54 residues pruned to eliminate duplicates Z: 6 4.075 1.597 0.186 0.800 1.000 0.600 CA 0.740 Z: 10 20.274 1.885 0.684 0.919 1.000 1.000 CA 1.500 9 residues pruned to eliminate duplicates Z: 10 13.838 1.726 0.564 0.819 1.000 0.778 CA 1.296 9 residues pruned to eliminate duplicates Z: 8 5.765 1.934 0.105 0.829 0.714 0.429 CA 1.074 8 residues pruned to eliminate duplicates Z: 8 20.022 2.009 0.951 0.911 0.857 0.571 CA 1.596 9 residues pruned to eliminate duplicates Z: 9 8.048 1.874 0.683 0.754 0.625 0.375 CA 1.152 Z: 15 21.268 2.052 0.487 0.872 1.000 0.786 CB 1.358 15 residues pruned to eliminate duplicates Z: 6 6.437 1.968 0.355 0.835 1.000 0.600 CB 0.808 6 residues pruned to eliminate duplicates Z: 15 23.603 2.055 0.545 0.930 1.000 0.786 CB 1.389 15 residues pruned to eliminate duplicates Z: 20 30.974 1.948 1.104 0.950 1.000 0.789 CB 1.196 20 residues pruned to eliminate duplicates Z: 20 22.245 1.914 0.443 0.883 1.000 0.684 CA 1.336 20 residues pruned to eliminate duplicates Z: 20 31.314 1.873 1.065 0.914 1.000 0.789 CA 1.314 20 residues pruned to eliminate duplicates Z: 6 4.879 1.610 0.421 0.752 0.800 0.600 CA 0.952 6 residues pruned to eliminate duplicates Z: 12 12.699 1.775 0.474 0.820 1.000 0.636 CB 1.109 Z: 20 30.381 1.925 0.985 0.918 0.947 0.579 CB 1.357 20 residues pruned to eliminate duplicates Z: 10 8.985 1.916 0.536 0.574 0.778 0.556 CB 1.218 10 residues pruned to eliminate duplicates Z: 8 20.816 1.907 0.903 0.858 1.000 1.000 CA 1.597 8 residues pruned to eliminate duplicates Z: 45 26.846 1.951 0.627 0.581 0.932 0.614 CB 1.266 23 residues pruned to eliminate duplicates Z: 8 15.957 1.999 0.603 0.918 1.000 0.857 CA 1.327 8 residues pruned to eliminate duplicates Z: 8 15.963 1.895 0.769 0.902 1.000 0.857 CA 1.284 8 residues pruned to eliminate duplicates Z: 15 15.045 1.967 0.636 0.888 0.929 0.857 CB 0.970 15 residues pruned to eliminate duplicates Z: 14 14.842 1.848 0.419 0.843 0.923 0.615 CB 1.266 Z: 22 15.079 1.719 0.727 0.470 0.905 0.429 CB 1.263 22 residues pruned to eliminate duplicates Z: 18 28.070 1.949 1.003 0.907 1.000 0.588 CB 1.239 18 residues pruned to eliminate duplicates Z: 7 7.643 2.008 0.280 0.866 1.000 0.833 CB 0.889 7 residues pruned to eliminate duplicates Z: 19 31.502 1.997 1.032 0.944 1.000 0.722 CB 1.267 19 residues pruned to eliminate duplicates Z: 44 29.090 1.918 0.679 0.610 0.930 0.558 CB 1.335 42 residues pruned to eliminate duplicates Z: 15 8.723 1.691 0.706 0.483 0.929 0.786 CB 0.885 Z: 20 24.453 1.882 0.709 0.906 1.000 0.842 CB 1.241 20 residues pruned to eliminate duplicates Z: 37 17.247 1.859 0.573 0.607 0.861 0.694 CB 1.031 37 residues pruned to eliminate duplicates Z: 19 18.876 1.901 0.280 0.939 1.000 0.889 CB 1.270 19 residues pruned to eliminate duplicates Z: 18 32.420 1.997 1.017 0.932 1.000 0.529 CB 1.363 18 residues pruned to eliminate duplicates Z: 37 25.358 1.938 0.668 0.643 0.944 0.694 CB 1.212 37 residues pruned to eliminate duplicates Z: 19 24.014 1.985 0.506 0.930 1.000 0.944 CB 1.325 19 residues pruned to eliminate duplicates Z: 33 21.774 1.897 0.709 0.589 0.938 0.656 CB 1.163 33 residues pruned to eliminate duplicates Z: 41 26.270 1.898 0.821 0.531 0.950 0.600 CB 1.228 37 residues pruned to eliminate duplicates Z: 8 6.231 1.775 0.312 0.697 1.000 0.714 CB 0.845 8 residues pruned to eliminate duplicates Z: 8 18.011 1.882 1.108 0.904 1.000 0.857 CB 1.222 Z: 15 9.879 1.717 0.702 0.429 1.000 0.571 CB 0.973 16 residues pruned to eliminate duplicates Z: 8 18.668 1.862 0.726 0.876 1.000 0.857 C 1.595 9 residues pruned to eliminate duplicates Z: 15 14.300 1.946 0.546 0.904 0.929 0.857 CB 0.974 15 residues pruned to eliminate duplicates Z: 9 8.116 1.654 0.269 0.757 0.875 0.500 CA 1.243 Z: 20 31.261 1.922 1.146 0.923 1.000 0.526 CB 1.222 20 residues pruned to eliminate duplicates Z: 10 17.104 1.770 0.678 0.900 1.000 0.889 CB 1.371 9 residues pruned to eliminate duplicates Z: 10 20.679 1.886 0.690 0.927 1.000 0.667 CA 1.516 10 residues pruned to eliminate duplicates Z: 11 8.711 1.901 0.146 0.882 0.900 0.900 CB 1.017 11 residues pruned to eliminate duplicates Z: 46 26.034 1.908 0.634 0.585 0.933 0.622 CB 1.229 45 residues pruned to eliminate duplicates Z: 20 23.943 1.899 0.645 0.924 0.947 0.684 CB 1.304 20 residues pruned to eliminate duplicates Z: 9 16.102 1.828 0.587 0.890 1.000 0.875 CB 1.412 9 residues pruned to eliminate duplicates Z: 15 16.511 1.962 0.679 0.904 0.929 0.929 CB 1.027 15 residues pruned to eliminate duplicates Z: 33 27.072 1.970 0.794 0.736 0.906 0.750 CB 1.209 33 residues pruned to eliminate duplicates Z: 7 4.440 1.576 0.642 0.304 0.833 0.333 CB 1.046 7 residues pruned to eliminate duplicates Z: 16 22.590 1.995 0.491 0.929 1.000 0.733 CB 1.372 16 residues pruned to eliminate duplicates Z: 10 15.557 1.880 0.693 0.846 0.889 0.667 CA 1.362 10 residues pruned to eliminate duplicates Z: 29 26.432 1.900 0.858 0.720 0.964 0.500 CB 1.203 29 residues pruned to eliminate duplicates Z: 8 13.279 1.773 0.475 0.864 1.000 0.714 CB 1.406 8 residues pruned to eliminate duplicates Z: 22 15.234 1.770 0.551 0.609 0.905 0.619 CB 1.207 14 residues pruned to eliminate duplicates Z: 11 6.909 1.737 0.483 0.774 0.900 0.400 CB 0.740 10 residues pruned to eliminate duplicates Z: 15 22.934 2.050 0.628 0.892 0.929 0.786 CB 1.421 15 residues pruned to eliminate duplicates Z: 19 25.727 1.971 0.711 0.938 1.000 0.833 CB 1.251 19 residues pruned to eliminate duplicates Z: 7 15.230 1.865 1.158 0.887 1.000 1.000 CB 1.114 Z: 19 28.266 1.984 0.763 0.933 1.000 0.722 CB 1.330 19 residues pruned to eliminate duplicates Z: 19 27.111 1.919 0.954 0.907 0.944 0.611 CA 1.282 19 residues pruned to eliminate duplicates Z: 20 19.045 1.928 0.299 0.931 1.000 0.947 CB 1.219 20 residues pruned to eliminate duplicates Z: 6 2.329 1.526 0.021 0.542 1.000 0.600 CB 0.642 Z: 7 7.397 1.585 0.587 0.665 1.000 0.500 CB 1.030 Z: 14 12.743 1.762 0.582 0.845 0.769 0.385 CB 1.225 11 residues pruned to eliminate duplicates Z: 8 9.185 1.765 0.669 0.913 1.000 0.571 CB 0.835 Z: 60 29.524 1.884 0.696 0.570 0.983 0.593 CB 1.144 63 residues pruned to eliminate duplicates Z: 18 27.580 1.986 0.739 0.918 1.000 0.529 CB 1.365 18 residues pruned to eliminate duplicates Z: 15 19.053 2.029 0.399 0.903 0.929 0.786 CB 1.377 15 residues pruned to eliminate duplicates Z: 16 17.536 1.928 0.339 0.912 0.933 0.867 CA 1.330 16 residues pruned to eliminate duplicates Z: 19 30.290 1.997 0.974 0.939 1.000 0.778 CB 1.258 19 residues pruned to eliminate duplicates Z: 10 16.627 1.873 0.362 0.913 1.000 0.556 CA 1.538 10 residues pruned to eliminate duplicates Z: 15 19.857 1.952 0.951 0.922 0.929 0.643 CB 1.055 15 residues pruned to eliminate duplicates Z: 11 12.893 1.903 0.625 0.727 1.000 0.500 CB 1.074 11 residues pruned to eliminate duplicates Z: 15 10.685 1.603 0.371 0.901 1.000 0.714 CB 0.928 Z: 15 20.758 1.999 0.610 0.871 0.929 0.714 CB 1.354 15 residues pruned to eliminate duplicates Z: 10 8.975 1.701 0.377 0.875 0.889 0.667 CB 1.045 10 residues pruned to eliminate duplicates Z: 16 19.055 1.895 0.865 0.854 0.933 0.667 CB 1.101 16 residues pruned to eliminate duplicates 7 1.181 1.457 0.248 0.488 0.833 0.667 CB 0.322 ? Z: 49 22.838 1.878 0.732 0.509 0.875 0.625 CB 1.148 30 residues pruned to eliminate duplicates Z: 18 9.819 1.824 0.747 0.463 0.882 0.471 CB 0.880 18 residues pruned to eliminate duplicates Z: 16 11.920 1.567 0.625 0.886 1.000 0.733 CB 0.872 Z: 6 9.826 1.646 0.954 0.754 1.000 0.800 CB 1.090 Z: 31 14.816 1.828 0.683 0.427 0.900 0.567 CB 1.054 31 residues pruned to eliminate duplicates Z: 31 29.731 2.002 1.036 0.572 0.933 0.667 CB 1.331 31 residues pruned to eliminate duplicates Z: 9 14.356 1.857 0.922 0.867 0.875 0.750 CA 1.189 9 residues pruned to eliminate duplicates Z: 9 13.835 1.779 0.491 0.879 1.000 0.875 CB 1.338 9 residues pruned to eliminate duplicates Z: 9 11.250 1.834 0.297 0.858 0.875 0.625 CB 1.407 9 residues pruned to eliminate duplicates Z: 23 18.041 1.916 0.521 0.694 0.909 0.591 CB 1.215 10 residues pruned to eliminate duplicates Z: 16 21.501 1.935 0.620 0.910 0.933 0.733 CB 1.346 16 residues pruned to eliminate duplicates Z: 20 31.731 1.936 1.143 0.940 1.000 0.368 CB 1.218 20 residues pruned to eliminate duplicates Z: 14 7.922 1.748 0.414 0.545 0.923 0.385 CB 0.922 14 residues pruned to eliminate duplicates Z: 8 6.942 1.948 0.571 0.798 0.857 0.571 CB 0.771 8 residues pruned to eliminate duplicates Z: 10 13.816 1.824 0.798 0.636 1.000 0.778 CB 1.237 9 residues pruned to eliminate duplicates Z: 44 29.381 1.975 0.739 0.565 0.953 0.535 CB 1.284 44 residues pruned to eliminate duplicates Z: 59 30.142 1.872 0.811 0.596 0.966 0.638 CB 1.104 59 residues pruned to eliminate duplicates Z: 20 31.186 1.905 1.058 0.933 1.000 0.316 CB 1.273 20 residues pruned to eliminate duplicates Z: 7 9.784 1.773 0.662 0.899 1.000 0.833 CB 0.969 Z: 9 12.622 1.665 1.117 0.793 1.000 0.750 CB 0.979 8 residues pruned to eliminate duplicates Z: 15 21.650 2.050 0.565 0.906 0.929 0.786 CB 1.382 15 residues pruned to eliminate duplicates Z: 12 9.651 1.574 0.388 0.866 0.909 0.636 CB 1.074 12 residues pruned to eliminate duplicates Z: 15 24.940 2.032 0.771 0.896 0.929 0.714 CB 1.429 15 residues pruned to eliminate duplicates Z: 50 23.494 1.855 0.676 0.585 0.939 0.633 CB 1.060 52 residues pruned to eliminate duplicates Z: 15 18.124 2.044 0.326 0.897 0.929 0.714 CB 1.377 15 residues pruned to eliminate duplicates Z: 9 14.442 1.781 0.683 0.866 0.875 0.750 CA 1.425 9 residues pruned to eliminate duplicates Z: 6 6.417 1.905 0.360 0.834 1.000 0.400 CB 0.830 6 residues pruned to eliminate duplicates Z: 14 8.546 1.620 0.401 0.875 0.923 0.538 CB 0.823 14 residues pruned to eliminate duplicates Z: 19 26.680 1.915 0.867 0.901 1.000 0.500 CA 1.255 19 residues pruned to eliminate duplicates Z: 16 11.022 1.637 0.753 0.547 0.933 0.533 CB 1.014 Z: 8 10.230 1.891 0.373 0.845 1.000 0.857 CB 1.107 8 residues pruned to eliminate duplicates Z: 9 14.472 1.736 0.639 0.895 1.000 0.875 CA 1.290 9 residues pruned to eliminate duplicates Z: 22 14.846 1.873 0.597 0.649 0.905 0.429 CB 1.042 22 residues pruned to eliminate duplicates Z: 15 19.907 2.020 0.432 0.865 1.000 0.786 CA 1.347 15 residues pruned to eliminate duplicates Z: 8 19.969 1.861 0.853 0.907 1.000 0.857 CA 1.556 8 residues pruned to eliminate duplicates 7 1.806 1.622 0.111 0.249 0.500 0.333 CB 1.092 ? Z: 17 16.192 1.825 0.849 0.782 0.875 0.625 CB 1.069 17 residues pruned to eliminate duplicates Z: 25 11.215 1.758 0.704 0.490 0.875 0.625 CB 0.883 39 residues pruned to eliminate duplicates Z: 8 10.123 1.763 0.664 0.826 1.000 0.857 CB 0.983 8 residues pruned to eliminate duplicates Z: 8 20.755 1.866 0.841 0.915 1.000 0.857 CA 1.614 8 residues pruned to eliminate duplicates Z: 20 26.918 1.903 0.922 0.884 0.947 0.684 CA 1.288 20 residues pruned to eliminate duplicates Z: 20 26.886 1.846 0.886 0.903 0.947 0.421 CA 1.334 20 residues pruned to eliminate duplicates Z: 58 28.947 1.897 0.699 0.575 0.982 0.614 CB 1.126 58 residues pruned to eliminate duplicates Z: 13 8.133 1.845 0.369 0.584 0.833 0.667 CB 1.029 12 residues pruned to eliminate duplicates Z: 11 13.862 1.787 0.755 0.878 1.000 0.400 CB 1.014 11 residues pruned to eliminate duplicates Z: 17 10.692 1.832 0.395 0.653 0.875 0.500 CB 1.037 13 residues pruned to eliminate duplicates Z: 20 28.950 1.940 0.796 0.936 1.000 0.947 CB 1.327 20 residues pruned to eliminate duplicates Z: 15 18.639 1.942 0.792 0.907 0.929 0.643 CB 1.095 15 residues pruned to eliminate duplicates Z: 6 5.276 1.607 0.081 0.620 1.000 0.400 CB 1.212 Z: 60 29.112 1.881 0.691 0.572 0.949 0.678 CB 1.170 60 residues pruned to eliminate duplicates Z: 13 10.650 1.936 0.352 0.772 0.917 0.333 CB 1.007 13 residues pruned to eliminate duplicates Z: 16 12.850 1.761 0.580 0.737 0.933 0.533 CB 1.033 16 residues pruned to eliminate duplicates Z: 14 12.643 1.706 0.531 0.869 0.923 0.538 CB 1.063 14 residues pruned to eliminate duplicates Z: 46 27.308 1.886 0.775 0.613 0.956 0.600 CB 1.143 46 residues pruned to eliminate duplicates Z: 20 26.691 1.884 0.824 0.903 1.000 0.895 CB 1.269 18 residues pruned to eliminate duplicates Z: 42 27.922 1.975 0.636 0.593 0.951 0.732 CB 1.298 42 residues pruned to eliminate duplicates Z: 8 8.122 1.748 0.615 0.535 0.857 0.714 CA 1.225 8 residues pruned to eliminate duplicates Z: 21 21.683 1.883 0.489 0.922 1.000 0.700 CA 1.217 19 residues pruned to eliminate duplicates Z: 6 7.865 1.515 0.862 0.890 1.000 0.600 CB 0.897 6 residues pruned to eliminate duplicates Z: 11 6.095 1.665 0.369 0.400 0.900 0.500 CB 1.044 11 residues pruned to eliminate duplicates Z: 9 15.655 1.810 0.880 0.888 1.000 0.750 CB 1.171 8 residues pruned to eliminate duplicates Z: 15 16.397 1.922 0.826 0.910 0.929 0.714 CB 0.954 15 residues pruned to eliminate duplicates Z: 25 12.847 1.798 0.885 0.541 0.917 0.667 CB 0.811 25 residues pruned to eliminate duplicates Z: 14 12.661 2.094 0.720 0.488 0.846 0.615 CB 1.166 14 residues pruned to eliminate duplicates Z: 37 18.824 1.865 0.504 0.602 0.972 0.528 CB 1.044 37 residues pruned to eliminate duplicates Z: 8 6.734 1.597 0.240 0.847 0.857 0.714 CB 1.113 5 residues pruned to eliminate duplicates Z: 6 8.177 1.551 0.709 0.744 1.000 0.600 CB 1.110 6 residues pruned to eliminate duplicates Z: 6 8.129 1.542 0.733 0.841 1.000 1.000 CB 1.014 6 residues pruned to eliminate duplicates Z: 15 18.744 1.992 0.425 0.865 1.000 0.786 CB 1.293 15 residues pruned to eliminate duplicates Z: 6 4.685 1.640 0.025 0.519 1.000 0.800 CB 1.223 3 residues pruned to eliminate duplicates Z: 8 11.598 1.778 0.405 0.794 1.000 0.714 CA 1.356 9 residues pruned to eliminate duplicates Z: 16 15.126 1.835 0.777 0.803 0.933 0.467 CB 0.985 16 residues pruned to eliminate duplicates Z: 10 7.328 1.808 0.533 0.540 0.778 0.556 CB 1.089 10 residues pruned to eliminate duplicates Z: 8 6.093 1.583 0.359 0.637 0.857 0.429 CB 1.098 8 residues pruned to eliminate duplicates Z: 38 26.523 1.935 0.749 0.611 0.892 0.649 CB 1.300 41 residues pruned to eliminate duplicates Z: 7 3.534 1.634 0.525 0.350 0.667 0.333 CB 1.022 Z: 18 24.387 1.934 0.737 0.929 0.941 0.941 CA 1.310 18 residues pruned to eliminate duplicates Z: 21 23.844 1.877 0.591 0.911 1.000 0.850 CB 1.265 21 residues pruned to eliminate duplicates Z: 15 16.960 1.948 0.912 0.924 0.929 0.857 CB 0.920 15 residues pruned to eliminate duplicates Z: 18 29.514 1.991 0.895 0.906 1.000 0.588 CA 1.350 18 residues pruned to eliminate duplicates Z: 16 12.926 1.883 0.684 0.827 0.867 0.800 CB 0.915 16 residues pruned to eliminate duplicates Z: 12 9.140 1.671 0.789 0.566 0.909 0.727 CB 0.951 11 residues pruned to eliminate duplicates Z: 10 19.662 1.853 0.642 0.922 1.000 0.889 CA 1.515 10 residues pruned to eliminate duplicates Z: 16 21.507 1.912 1.022 0.632 0.867 0.533 CA 1.464 16 residues pruned to eliminate duplicates Z: 10 13.604 1.868 0.318 0.843 1.000 0.889 CA 1.372 10 residues pruned to eliminate duplicates Z: 85 32.175 1.841 0.676 0.550 0.976 0.631 CB 1.110 62 residues pruned to eliminate duplicates Z: 12 13.917 1.686 0.585 0.778 1.000 0.545 CB 1.229 12 residues pruned to eliminate duplicates Z: 19 30.498 1.970 0.983 0.946 0.944 0.667 CB 1.348 19 residues pruned to eliminate duplicates Z: 46 19.957 1.852 0.645 0.554 0.889 0.578 CB 1.042 46 residues pruned to eliminate duplicates Z: 14 10.063 1.911 0.575 0.540 1.000 0.692 CB 0.891 14 residues pruned to eliminate duplicates Z: 19 15.064 1.845 0.781 0.464 0.833 0.556 CA 1.345 21 residues pruned to eliminate duplicates Z: 6 4.824 1.487 0.125 0.719 1.000 0.600 CA 1.057 Z: 8 8.463 1.740 0.528 0.753 1.000 0.429 CA 0.960 Z: 6 10.795 2.023 0.992 0.816 1.000 0.600 CB 0.910 8 residues pruned to eliminate duplicates Z: 48 30.606 1.935 0.731 0.606 0.894 0.532 CB 1.348 46 residues pruned to eliminate duplicates Z: 11 10.516 1.729 0.516 0.663 1.000 0.700 CB 1.091 Z: 35 26.936 1.938 0.746 0.541 0.971 0.735 CB 1.351 35 residues pruned to eliminate duplicates Z: 6 9.181 1.918 0.434 0.755 1.000 1.000 CA 1.189 6 residues pruned to eliminate duplicates Z: 9 8.095 1.886 0.451 0.814 0.875 0.750 CB 0.910 9 residues pruned to eliminate duplicates Z: 18 31.969 1.994 0.982 0.926 1.000 0.529 CB 1.376 18 residues pruned to eliminate duplicates Z: 20 19.296 1.865 0.554 0.899 0.947 0.632 CB 1.153 19 residues pruned to eliminate duplicates Z: 21 28.323 1.831 0.953 0.924 1.000 0.700 CB 1.244 21 residues pruned to eliminate duplicates Z: 10 20.122 1.877 0.853 0.865 1.000 0.556 CB 1.413 9 residues pruned to eliminate duplicates Z: 10 9.607 1.652 0.453 0.694 0.889 0.889 CB 1.257 10 residues pruned to eliminate duplicates Z: 16 21.088 1.941 0.575 0.882 1.000 0.867 CA 1.289 16 residues pruned to eliminate duplicates Z: 18 22.676 1.927 0.836 0.583 1.000 0.588 CA 1.434 17 residues pruned to eliminate duplicates Z: 15 19.711 2.023 0.518 0.887 0.929 0.714 CB 1.332 15 residues pruned to eliminate duplicates Z: 8 6.858 1.463 0.563 0.868 0.857 0.429 CB 0.967 8 residues pruned to eliminate duplicates Z: 15 21.654 2.018 0.491 0.901 1.000 0.786 CA 1.372 15 residues pruned to eliminate duplicates Z: 13 13.049 1.666 0.591 0.575 1.000 0.583 CB 1.322 13 residues pruned to eliminate duplicates Z: 8 8.896 1.958 0.391 0.822 1.000 0.714 CB 0.934 8 residues pruned to eliminate duplicates Z: 19 21.242 1.962 0.570 0.914 1.000 0.833 CB 1.149 19 residues pruned to eliminate duplicates Z: 6 5.336 1.485 0.127 0.755 1.000 0.600 CA 1.136 Z: 10 13.100 1.640 1.057 0.863 0.889 0.778 CB 1.068 10 residues pruned to eliminate duplicates Z: 7 8.045 1.735 0.635 0.559 0.833 0.667 CB 1.311 4 residues pruned to eliminate duplicates Z: 21 30.982 1.817 1.092 0.923 1.000 0.550 CB 1.281 21 residues pruned to eliminate duplicates Z: 8 18.992 1.865 0.829 0.875 1.000 0.857 CA 1.531 8 residues pruned to eliminate duplicates Z: 9 5.015 1.591 0.793 0.411 0.625 0.375 CA 1.092 9 residues pruned to eliminate duplicates Z: 38 19.238 1.772 0.534 0.492 0.919 0.459 CB 1.276 33 residues pruned to eliminate duplicates Z: 19 27.257 1.914 0.991 0.913 0.944 0.611 CA 1.263 19 residues pruned to eliminate duplicates Z: 35 31.444 1.985 0.803 0.659 1.000 0.706 CB 1.299 35 residues pruned to eliminate duplicates Z: 9 15.789 1.758 1.171 0.896 1.000 0.625 CB 1.048 9 residues pruned to eliminate duplicates Z: 6 4.985 1.636 0.273 0.461 0.800 0.800 CA 1.392 6 residues pruned to eliminate duplicates Z: 43 27.106 1.956 0.614 0.601 0.929 0.619 CB 1.296 43 residues pruned to eliminate duplicates Z: 7 4.013 1.884 -0.046 0.740 0.833 0.500 CB 0.882 7 residues pruned to eliminate duplicates Z: 15 9.718 1.574 0.351 0.906 1.000 0.857 CB 0.869 15 residues pruned to eliminate duplicates Z: 44 30.635 1.984 0.681 0.601 0.953 0.581 CB 1.335 44 residues pruned to eliminate duplicates Z: 8 10.463 1.710 0.521 0.813 0.857 0.571 CA 1.351 8 residues pruned to eliminate duplicates Z: 8 8.376 1.643 0.372 0.864 0.857 0.714 CB 1.201 8 residues pruned to eliminate duplicates Z: 14 13.962 1.770 0.719 0.843 0.846 0.538 CB 1.120 15 residues pruned to eliminate duplicates Z: 29 25.147 1.921 0.939 0.725 0.929 0.786 CB 1.122 27 residues pruned to eliminate duplicates Z: 8 7.115 1.580 0.574 0.817 1.000 0.714 CB 0.821 8 residues pruned to eliminate duplicates Z: 28 25.801 1.916 0.920 0.727 0.963 0.704 CB 1.143 26 residues pruned to eliminate duplicates Z: 25 29.834 1.918 0.881 0.778 0.958 0.500 CB 1.378 25 residues pruned to eliminate duplicates Z: 16 14.500 1.918 0.141 0.924 0.933 0.933 CB 1.288 16 residues pruned to eliminate duplicates Z: 10 11.881 1.945 0.570 0.885 0.889 0.778 CA 1.053 10 residues pruned to eliminate duplicates Z: 20 26.164 1.916 0.750 0.914 1.000 0.684 CB 1.267 20 residues pruned to eliminate duplicates Z: 6 10.899 1.710 1.147 0.689 1.000 0.800 CB 1.117 Z: 9 12.104 1.786 0.787 0.885 0.875 0.500 CB 1.106 9 residues pruned to eliminate duplicates Z: 6 6.112 1.524 0.641 0.395 1.000 0.800 CA 1.220 6 residues pruned to eliminate duplicates Z: 16 12.925 1.849 0.364 0.877 1.000 0.867 CB 0.961 16 residues pruned to eliminate duplicates Z: 12 6.439 1.913 0.185 0.725 0.909 0.636 CB 0.769 12 residues pruned to eliminate duplicates Z: 16 10.358 1.795 0.176 0.885 1.000 0.933 CB 0.915 16 residues pruned to eliminate duplicates Z: 6 14.049 1.947 0.850 0.771 1.000 0.400 CA 1.372 6 residues pruned to eliminate duplicates Z: 6 7.012 1.619 0.376 0.830 1.000 1.000 CA 1.059 6 residues pruned to eliminate duplicates Z: 10 6.588 1.723 0.475 0.624 1.000 0.556 CB 0.769 10 residues pruned to eliminate duplicates Z: 13 9.460 1.898 0.819 0.534 0.750 0.667 CB 1.020 13 residues pruned to eliminate duplicates Z: 8 3.941 1.636 0.347 0.212 0.857 0.429 CB 1.107 Z: 8 6.461 1.596 0.534 0.881 1.000 0.571 CB 0.722 8 residues pruned to eliminate duplicates Z: 8 7.349 1.399 0.597 0.674 0.857 0.571 O 1.235 Z: 27 29.790 1.884 0.880 0.744 0.962 0.577 CB 1.379 28 residues pruned to eliminate duplicates Z: 12 13.883 1.864 0.656 0.894 0.909 0.545 CA 1.070 12 residues pruned to eliminate duplicates Z: 61 29.532 1.877 0.617 0.605 0.967 0.683 CB 1.176 61 residues pruned to eliminate duplicates Z: 12 14.764 1.807 0.792 0.599 0.909 0.727 CB 1.376 11 residues pruned to eliminate duplicates Z: 8 6.210 1.892 0.561 0.375 0.857 0.571 CB 1.060 8 residues pruned to eliminate duplicates Z: 57 24.225 1.869 0.691 0.537 0.875 0.536 CB 1.129 57 residues pruned to eliminate duplicates Z: 8 5.508 1.556 0.292 0.707 0.714 0.429 CB 1.201 8 residues pruned to eliminate duplicates Z: 38 29.381 1.959 0.907 0.511 0.946 0.595 CA 1.352 21 residues pruned to eliminate duplicates Z: 19 13.770 1.798 0.681 0.542 0.889 0.611 CB 1.160 19 residues pruned to eliminate duplicates Z: 17 8.838 1.639 0.523 0.893 0.875 0.688 CB 0.726 17 residues pruned to eliminate duplicates Z: 9 14.075 1.778 0.962 0.792 1.000 0.750 CB 1.104 9 residues pruned to eliminate duplicates Z: 17 15.584 1.871 0.828 0.566 0.812 0.625 CA 1.315 17 residues pruned to eliminate duplicates Z: 20 27.532 1.891 0.779 0.917 1.000 0.421 CA 1.326 20 residues pruned to eliminate duplicates Z: 18 23.997 1.991 0.541 0.952 1.000 1.000 CB 1.306 18 residues pruned to eliminate duplicates Z: 11 13.185 1.714 0.911 0.676 1.000 0.500 CB 1.082 11 residues pruned to eliminate duplicates Z: 7 7.285 1.501 0.565 0.820 1.000 1.000 CA 0.960 7 residues pruned to eliminate duplicates Z: 8 6.908 1.792 0.438 0.548 0.857 0.714 CB 1.127 8 residues pruned to eliminate duplicates Z: 6 12.477 1.792 0.913 0.855 1.000 1.000 CB 1.201 6 residues pruned to eliminate duplicates Z: 8 4.192 1.440 0.352 0.851 1.000 0.714 CB 0.602 8 residues pruned to eliminate duplicates Z: 14 16.068 1.974 0.741 0.918 0.923 0.846 CB 0.990 14 residues pruned to eliminate duplicates Z: 64 28.872 1.880 0.718 0.599 0.952 0.683 CB 1.076 64 residues pruned to eliminate duplicates Z: 8 12.936 1.842 0.573 0.859 1.000 0.857 CB 1.241 8 residues pruned to eliminate duplicates Z: 28 14.444 1.815 0.360 0.594 0.889 0.519 CB 1.158 28 residues pruned to eliminate duplicates Z: 21 25.637 1.898 0.866 0.850 0.950 0.550 CB 1.262 21 residues pruned to eliminate duplicates Z: 10 6.579 1.766 0.177 0.544 1.000 0.778 CB 1.011 10 residues pruned to eliminate duplicates Z: 8 2.462 1.555 0.351 0.325 0.571 0.429 CB 0.940 Z: 12 15.897 1.816 0.896 0.722 1.000 0.818 CB 1.139 15 residues pruned to eliminate duplicates Z: 8 6.573 1.804 0.411 0.454 0.857 0.286 CB 1.193 8 residues pruned to eliminate duplicates Z: 9 10.125 1.846 0.660 0.720 0.875 0.500 CA 1.095 9 residues pruned to eliminate duplicates Z: 13 10.777 1.754 0.730 0.600 0.917 0.667 CB 1.017 13 residues pruned to eliminate duplicates Z: 16 11.301 1.819 0.615 0.536 0.933 0.533 CB 1.028 16 residues pruned to eliminate duplicates Z: 13 13.147 1.799 0.509 0.906 1.000 0.750 CB 0.994 13 residues pruned to eliminate duplicates Z: 100 40.746 1.892 0.783 0.555 0.949 0.566 CB 1.212 100 residues pruned to eliminate duplicates Z: 17 13.834 1.650 0.802 0.886 1.000 0.750 CB 0.839 18 residues pruned to eliminate duplicates Z: 19 14.724 1.801 0.538 0.544 0.889 0.667 CB 1.350 19 residues pruned to eliminate duplicates Z: 12 9.360 1.743 0.205 0.667 1.000 0.636 CB 1.152 12 residues pruned to eliminate duplicates Z: 8 12.987 1.797 0.843 0.857 1.000 0.571 CA 1.092 8 residues pruned to eliminate duplicates Z: 29 26.401 2.039 0.828 0.641 0.964 0.643 CB 1.217 29 residues pruned to eliminate duplicates Z: 8 6.605 1.633 0.563 0.851 0.857 0.571 CB 0.845 8 residues pruned to eliminate duplicates Z: 37 22.248 2.009 0.646 0.604 0.889 0.611 CB 1.142 37 residues pruned to eliminate duplicates Z: 16 13.497 1.732 0.833 0.879 0.933 0.667 CB 0.853 14 residues pruned to eliminate duplicates Z: 11 6.763 1.561 0.836 0.733 0.800 0.300 CB 0.757 11 residues pruned to eliminate duplicates Z: 8 5.253 1.665 0.211 0.648 0.857 0.857 CB 1.001 8 residues pruned to eliminate duplicates Z: 60 28.800 1.899 0.513 0.577 0.915 0.627 CB 1.324 60 residues pruned to eliminate duplicates Z: 8 19.555 1.852 0.864 0.862 1.000 0.857 C 1.571 8 residues pruned to eliminate duplicates Z: 6 7.415 1.649 0.476 0.855 1.000 1.000 CB 1.006 Z: 6 7.420 1.800 0.437 0.853 1.000 0.800 CA 0.948 6 residues pruned to eliminate duplicates Z: 6 3.830 1.687 0.588 0.656 1.000 1.000 CB 0.553 Z: 20 20.692 1.924 0.530 0.914 0.947 0.842 CA 1.204 20 residues pruned to eliminate duplicates Z: 17 15.719 1.810 0.832 0.792 0.938 0.688 CB 0.979 17 residues pruned to eliminate duplicates Z: 15 38.012 2.078 1.399 0.946 1.000 0.643 CB 1.409 19 residues pruned to eliminate duplicates Z: 39 26.579 2.008 0.708 0.606 0.974 0.632 CB 1.167 39 residues pruned to eliminate duplicates Z: 8 6.117 1.896 0.265 0.697 0.714 0.286 CB 1.127 7 residues pruned to eliminate duplicates Z: 45 24.151 1.905 0.647 0.556 0.841 0.659 CB 1.307 45 residues pruned to eliminate duplicates Z: 9 10.551 1.799 0.302 0.854 1.000 0.875 CA 1.176 9 residues pruned to eliminate duplicates Z: 17 15.800 1.878 0.617 0.466 1.000 0.562 CA 1.347 17 residues pruned to eliminate duplicates Z: 21 23.390 1.791 0.720 0.897 1.000 0.800 CB 1.215 21 residues pruned to eliminate duplicates Z: 20 22.039 1.918 0.472 0.913 0.947 0.895 CA 1.338 20 residues pruned to eliminate duplicates Z: 6 7.559 1.414 0.504 0.829 1.000 0.600 CA 1.196 6 residues pruned to eliminate duplicates Z: 19 23.237 1.946 0.447 0.940 1.000 1.000 CB 1.351 19 residues pruned to eliminate duplicates Z: 14 13.692 1.874 0.781 0.885 1.000 0.923 CB 0.821 14 residues pruned to eliminate duplicates Z: 13 6.375 1.665 0.308 0.518 0.667 0.500 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 11.871 1.888 0.398 0.940 1.000 1.000 CB 0.866 14 residues pruned to eliminate duplicates Z: 15 19.054 1.984 0.509 0.846 0.929 0.714 CA 1.361 15 residues pruned to eliminate duplicates Z: 15 22.103 2.063 0.557 0.914 0.929 0.857 CA 1.401 15 residues pruned to eliminate duplicates Z: 10 8.308 1.970 0.674 0.605 0.889 0.778 CB 0.855 4 residues pruned to eliminate duplicates Z: 11 10.851 1.663 0.586 0.820 0.900 0.700 CA 1.095 11 residues pruned to eliminate duplicates Z: 7 8.110 2.006 0.982 0.782 1.000 0.667 CB 0.650 7 residues pruned to eliminate duplicates Z: 56 24.998 1.856 0.637 0.539 0.909 0.545 CB 1.174 55 residues pruned to eliminate duplicates Z: 6 6.211 1.585 0.105 0.869 1.000 1.000 CA 1.158 6 residues pruned to eliminate duplicates Z: 9 12.641 1.871 1.088 0.731 0.750 0.375 CA 1.239 9 residues pruned to eliminate duplicates Z: 12 13.668 1.808 0.783 0.773 0.909 0.636 CA 1.104 12 residues pruned to eliminate duplicates Z: 24 14.633 1.875 0.867 0.517 0.870 0.609 CB 0.986 24 residues pruned to eliminate duplicates Z: 18 19.173 1.872 0.617 0.911 0.882 0.647 CB 1.233 18 residues pruned to eliminate duplicates Z: 28 23.260 1.952 0.507 0.665 0.963 0.630 CB 1.357 28 residues pruned to eliminate duplicates Z: 10 8.631 1.627 0.294 0.720 1.000 0.556 CA 1.120 10 residues pruned to eliminate duplicates Z: 24 30.332 1.949 0.952 0.800 1.000 0.739 CB 1.278 24 residues pruned to eliminate duplicates Z: 13 9.772 1.770 0.725 0.890 1.000 0.750 CB 0.665 13 residues pruned to eliminate duplicates Z: 17 7.496 1.655 0.614 0.490 0.875 0.438 CB 0.810 Z: 9 10.574 1.781 0.580 0.753 1.000 0.375 CA 1.060 9 residues pruned to eliminate duplicates Z: 63 30.830 1.909 0.731 0.588 0.935 0.581 CB 1.165 59 residues pruned to eliminate duplicates Z: 17 12.885 1.756 0.706 0.809 0.938 0.562 CB 0.877 17 residues pruned to eliminate duplicates Z: 8 8.953 1.748 0.520 0.881 1.000 0.714 CB 0.923 8 residues pruned to eliminate duplicates Z: 7 10.221 1.789 0.274 0.792 1.000 0.667 CA 1.418 7 residues pruned to eliminate duplicates Z: 7 6.697 1.999 0.188 0.793 1.000 1.000 CB 0.891 7 residues pruned to eliminate duplicates Z: 6 5.648 1.698 0.429 0.723 0.800 0.800 CB 1.064 6 residues pruned to eliminate duplicates Z: 11 14.415 1.838 0.669 0.775 1.000 0.700 CA 1.166 11 residues pruned to eliminate duplicates Z: 17 32.707 2.057 1.029 0.937 0.938 0.688 CA 1.454 17 residues pruned to eliminate duplicates Z: 10 7.825 1.561 0.409 0.656 0.889 0.778 C 1.154 10 residues pruned to eliminate duplicates Z: 9 7.321 1.305 0.732 0.737 1.000 0.750 CB 0.926 6 residues pruned to eliminate duplicates Z: 13 20.095 2.013 0.928 0.670 1.000 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 7 5.777 1.613 0.564 0.360 0.833 0.667 O 1.304 7 residues pruned to eliminate duplicates Z: 9 12.484 1.662 0.666 0.813 1.000 0.375 CB 1.214 9 residues pruned to eliminate duplicates Z: 7 4.844 1.492 0.335 0.694 0.833 0.667 CB 0.998 Z: 103 33.607 1.881 0.643 0.540 0.873 0.539 CB 1.187 102 residues pruned to eliminate duplicates Z: 32 17.868 1.781 0.567 0.485 0.871 0.484 CA 1.340 32 residues pruned to eliminate duplicates Z: 11 7.049 1.591 0.779 0.354 0.900 0.500 CB 1.025 11 residues pruned to eliminate duplicates Z: 6 6.022 1.710 0.238 0.698 1.000 1.000 CB 1.062 6 residues pruned to eliminate duplicates Z: 24 22.731 1.944 0.734 0.725 0.957 0.739 CB 1.200 24 residues pruned to eliminate duplicates Z: 32 17.165 1.836 0.501 0.566 0.903 0.677 CB 1.162 32 residues pruned to eliminate duplicates Z: 19 10.779 1.807 0.731 0.394 0.722 0.389 CB 1.258 19 residues pruned to eliminate duplicates Z: 7 11.836 1.817 0.834 0.785 1.000 0.500 CA 1.128 7 residues pruned to eliminate duplicates Z: 14 12.551 1.895 0.752 0.473 0.769 0.462 CA 1.401 14 residues pruned to eliminate duplicates Z: 9 19.177 1.802 1.017 0.912 1.000 0.625 CB 1.321 8 residues pruned to eliminate duplicates Z: 32 17.269 1.789 0.507 0.448 0.968 0.581 CB 1.254 28 residues pruned to eliminate duplicates Z: 9 9.155 1.689 0.485 0.781 1.000 0.750 CB 1.007 9 residues pruned to eliminate duplicates Z: 15 14.281 1.855 0.638 0.846 0.929 0.571 CB 1.005 15 residues pruned to eliminate duplicates Z: 8 6.812 1.755 0.584 0.839 0.857 0.571 CB 0.807 9 residues pruned to eliminate duplicates Z: 58 28.012 1.875 0.776 0.591 0.947 0.684 CB 1.078 58 residues pruned to eliminate duplicates Z: 7 10.053 1.799 0.399 0.815 1.000 0.333 CA 1.240 7 residues pruned to eliminate duplicates Z: 27 25.200 1.988 1.019 0.550 0.962 0.769 CB 1.219 27 residues pruned to eliminate duplicates Z: 19 29.531 1.947 0.945 0.909 1.000 0.667 CB 1.305 19 residues pruned to eliminate duplicates Z: 7 7.073 1.715 0.463 0.855 0.833 0.667 CB 1.018 7 residues pruned to eliminate duplicates Z: 7 10.853 1.874 0.339 0.794 1.000 0.667 CB 1.365 7 residues pruned to eliminate duplicates Z: 17 13.597 1.664 0.782 0.927 1.000 0.500 CB 0.803 17 residues pruned to eliminate duplicates Z: 8 19.226 1.898 1.173 0.860 1.000 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 38 17.515 1.916 0.639 0.524 0.838 0.568 CB 1.069 38 residues pruned to eliminate duplicates Z: 8 12.993 1.753 1.200 0.742 0.857 0.857 CA 1.196 9 residues pruned to eliminate duplicates Z: 15 16.294 1.934 0.864 0.874 0.857 0.786 CB 1.026 15 residues pruned to eliminate duplicates Z: 12 7.551 1.477 0.454 0.812 0.909 0.455 CB 0.888 6 residues pruned to eliminate duplicates Z: 16 13.341 1.802 0.641 0.574 0.933 0.667 CB 1.162 16 residues pruned to eliminate duplicates Z: 6 2.522 1.337 -0.100 0.363 1.000 0.400 N 1.086 Z: 13 20.507 2.032 0.909 0.651 1.000 0.667 CB 1.326 13 residues pruned to eliminate duplicates Z: 7 8.749 1.902 0.255 0.692 1.000 0.833 CA 1.255 7 residues pruned to eliminate duplicates Z: 19 26.816 1.949 0.685 0.935 1.000 0.667 CB 1.341 19 residues pruned to eliminate duplicates Z: 17 11.767 1.663 0.488 0.871 1.000 0.438 CB 0.867 17 residues pruned to eliminate duplicates Z: 12 13.663 1.775 0.707 0.578 1.000 0.818 CA 1.261 12 residues pruned to eliminate duplicates Z: 9 13.874 1.800 0.879 0.821 1.000 0.625 CB 1.098 9 residues pruned to eliminate duplicates Z: 59 31.108 1.887 0.803 0.580 0.983 0.638 CB 1.131 59 residues pruned to eliminate duplicates Z: 21 13.545 1.774 0.588 0.575 0.950 0.650 CB 1.053 16 residues pruned to eliminate duplicates Z: 30 28.747 2.001 0.746 0.648 1.000 0.690 CB 1.331 37 residues pruned to eliminate duplicates Z: 7 7.070 1.555 0.634 0.731 1.000 0.833 CB 0.923 7 residues pruned to eliminate duplicates Z: 34 18.178 1.796 0.454 0.687 0.970 0.697 CB 1.052 36 residues pruned to eliminate duplicates Z: 19 31.712 1.919 1.183 0.928 1.000 0.722 CB 1.250 19 residues pruned to eliminate duplicates Z: 7 9.035 1.891 0.389 0.826 1.000 0.333 CA 1.059 7 residues pruned to eliminate duplicates Z: 7 6.198 1.673 0.355 0.809 0.667 0.333 CB 1.278 7 residues pruned to eliminate duplicates Z: 18 19.280 1.872 0.886 0.561 0.941 0.588 CA 1.326 18 residues pruned to eliminate duplicates Z: 21 13.510 1.882 0.642 0.445 0.950 0.650 CB 1.089 21 residues pruned to eliminate duplicates Z: 12 10.085 1.816 0.551 0.820 0.818 0.455 CB 1.000 12 residues pruned to eliminate duplicates Z: 14 9.790 1.744 0.379 0.581 0.923 0.462 CB 1.131 12 residues pruned to eliminate duplicates Z: 25 11.851 1.817 0.750 0.489 0.875 0.625 CB 0.879 24 residues pruned to eliminate duplicates Z: 7 8.272 1.922 0.324 0.814 1.000 0.333 CB 1.010 7 residues pruned to eliminate duplicates Z: 11 12.026 1.807 0.334 0.745 1.000 0.900 CA 1.266 12 residues pruned to eliminate duplicates Z: 6 3.416 1.388 0.015 0.660 1.000 0.600 CB 0.935 Z: 6 3.234 1.395 0.021 0.688 1.000 0.600 CB 0.855 Z: 8 12.611 1.783 0.353 0.865 1.000 1.000 CA 1.447 8 residues pruned to eliminate duplicates Z: 29 23.040 1.975 0.871 0.545 0.964 0.500 CB 1.169 29 residues pruned to eliminate duplicates Z: 7 2.730 1.377 0.550 0.384 0.833 0.500 CB 0.709 Z: 14 17.492 2.066 0.234 0.894 1.000 1.000 CA 1.365 14 residues pruned to eliminate duplicates Z: 8 4.951 1.475 0.134 0.638 1.000 0.714 O 0.983 Z: 16 10.708 1.621 0.513 0.903 1.000 0.933 CB 0.804 16 residues pruned to eliminate duplicates Z: 9 14.709 1.817 0.474 0.885 1.000 0.375 CA 1.402 9 residues pruned to eliminate duplicates Z: 17 20.228 1.967 0.598 0.899 0.938 0.812 CB 1.227 17 residues pruned to eliminate duplicates Z: 13 14.311 1.714 0.870 0.688 0.917 0.750 CB 1.184 13 residues pruned to eliminate duplicates Z: 13 13.629 1.954 0.768 0.513 0.917 0.667 CB 1.227 13 residues pruned to eliminate duplicates Z: 11 9.649 1.685 0.969 0.614 1.000 0.600 CB 0.826 Z: 16 10.953 1.717 0.619 0.897 0.933 0.467 CB 0.780 16 residues pruned to eliminate duplicates Z: 17 12.649 1.672 0.732 0.910 1.000 0.875 CB 0.775 17 residues pruned to eliminate duplicates Z: 6 3.884 1.490 -0.003 0.766 1.000 0.800 CB 0.923 6 residues pruned to eliminate duplicates Z: 10 13.585 1.672 0.601 0.862 1.000 0.778 CA 1.242 10 residues pruned to eliminate duplicates Z: 11 13.196 1.873 0.498 0.736 1.000 0.800 CA 1.203 11 residues pruned to eliminate duplicates Z: 20 22.970 1.906 0.658 0.900 0.947 0.737 CA 1.257 20 residues pruned to eliminate duplicates Z: 20 22.466 1.902 0.560 0.932 1.000 0.895 CB 1.213 20 residues pruned to eliminate duplicates Z: 15 18.064 1.981 0.804 0.930 0.929 0.929 CB 1.017 15 residues pruned to eliminate duplicates Z: 16 10.195 1.672 0.486 0.906 0.933 0.933 CB 0.807 16 residues pruned to eliminate duplicates Z: 15 16.948 1.944 0.610 0.909 1.000 0.643 CB 1.027 15 residues pruned to eliminate duplicates Z: 23 26.108 1.914 0.889 0.774 0.955 0.591 CB 1.266 23 residues pruned to eliminate duplicates Z: 15 13.212 1.893 0.604 0.805 0.929 0.571 CB 0.960 14 residues pruned to eliminate duplicates Z: 6 7.704 1.595 0.750 0.690 1.000 0.800 CB 1.036 6 residues pruned to eliminate duplicates Z: 86 37.276 1.874 0.753 0.549 0.953 0.588 CB 1.230 86 residues pruned to eliminate duplicates Z: 7 3.973 1.377 0.618 0.456 0.833 0.500 C 0.914 7 residues pruned to eliminate duplicates Z: 8 8.520 1.605 0.404 0.834 0.857 0.857 CB 1.249 8 residues pruned to eliminate duplicates Z: 15 12.995 1.751 0.801 0.907 1.000 0.786 CB 0.782 15 residues pruned to eliminate duplicates Z: 11 5.618 1.382 0.411 0.781 1.000 0.700 CB 0.711 11 residues pruned to eliminate duplicates Z: 10 8.221 1.802 0.389 0.788 0.778 0.444 CB 1.093 10 residues pruned to eliminate duplicates Z: 15 19.127 2.008 0.386 0.908 1.000 0.929 CA 1.305 15 residues pruned to eliminate duplicates Z: 8 8.830 1.773 0.526 0.803 1.000 0.714 CA 0.946 8 residues pruned to eliminate duplicates Z: 8 9.904 1.752 0.812 0.763 0.857 0.429 CB 1.089 8 residues pruned to eliminate duplicates Z: 21 27.834 1.895 0.841 0.907 1.000 0.800 CA 1.268 23 residues pruned to eliminate duplicates Z: 29 17.702 1.829 0.790 0.657 0.893 0.607 CB 0.990 29 residues pruned to eliminate duplicates Z: 25 27.264 1.948 0.575 0.812 1.000 0.750 CB 1.383 25 residues pruned to eliminate duplicates Z: 39 16.022 1.796 0.512 0.574 0.895 0.605 CB 0.996 39 residues pruned to eliminate duplicates Z: 9 9.219 1.653 0.528 0.889 1.000 0.625 CB 0.928 9 residues pruned to eliminate duplicates Z: 33 21.316 1.882 0.627 0.675 0.938 0.656 CB 1.117 33 residues pruned to eliminate duplicates Z: 10 13.203 1.836 0.672 0.763 0.889 0.778 CB 1.277 10 residues pruned to eliminate duplicates Z: 17 30.143 2.039 0.985 0.945 1.000 0.625 CB 1.289 17 residues pruned to eliminate duplicates 6 1.366 1.382 0.210 0.299 0.400 0.400 O 1.143 ? Z: 17 12.082 1.613 0.705 0.895 1.000 0.812 CB 0.788 17 residues pruned to eliminate duplicates Z: 15 5.664 1.611 0.381 0.454 0.643 0.500 CB 1.110 15 residues pruned to eliminate duplicates Z: 10 9.298 1.834 0.324 0.777 0.889 0.667 CA 1.124 10 residues pruned to eliminate duplicates Z: 34 20.945 1.888 0.569 0.604 0.939 0.788 CB 1.186 34 residues pruned to eliminate duplicates Z: 19 15.102 1.811 0.594 0.500 0.889 0.611 CB 1.386 19 residues pruned to eliminate duplicates Z: 11 6.908 1.830 0.472 0.462 0.800 0.500 CB 1.053 11 residues pruned to eliminate duplicates Z: 13 8.770 1.682 0.441 0.858 0.917 0.917 CB 0.838 13 residues pruned to eliminate duplicates Z: 46 26.054 1.882 0.611 0.610 0.911 0.644 CB 1.266 46 residues pruned to eliminate duplicates Z: 16 10.640 1.554 0.386 0.892 0.933 0.733 CB 0.982 16 residues pruned to eliminate duplicates Z: 32 19.676 1.879 0.813 0.623 0.903 0.677 CB 1.023 32 residues pruned to eliminate duplicates Z: 26 29.164 1.937 0.941 0.752 1.000 0.640 CB 1.239 27 residues pruned to eliminate duplicates Z: 7 6.338 1.832 0.867 0.598 0.833 0.833 CB 0.827 7 residues pruned to eliminate duplicates Z: 51 29.278 1.857 0.809 0.610 0.940 0.720 CB 1.182 51 residues pruned to eliminate duplicates Z: 6 9.729 1.789 0.361 0.887 1.000 0.600 CB 1.289 6 residues pruned to eliminate duplicates Z: 8 5.917 1.575 0.734 0.457 0.857 0.571 CB 0.999 6 residues pruned to eliminate duplicates Z: 6 3.503 1.546 0.617 0.403 0.800 0.600 CB 0.867 6 residues pruned to eliminate duplicates Z: 15 12.372 1.622 0.606 0.903 1.000 0.714 CB 0.905 15 residues pruned to eliminate duplicates Z: 8 6.333 1.328 0.825 0.520 1.000 0.714 CA 0.969 8 residues pruned to eliminate duplicates Z: 23 12.307 1.765 0.372 0.665 0.864 0.545 CB 1.077 23 residues pruned to eliminate duplicates Z: 59 31.486 1.895 0.664 0.572 0.966 0.621 CB 1.267 61 residues pruned to eliminate duplicates Z: 8 16.000 1.880 1.127 0.872 1.000 1.000 CB 1.103 9 residues pruned to eliminate duplicates Z: 8 3.054 1.465 0.046 0.487 0.857 0.714 CB 0.891 9 residues pruned to eliminate duplicates Z: 11 5.652 1.613 0.423 0.545 0.900 0.600 CB 0.827 11 residues pruned to eliminate duplicates Z: 12 7.039 1.598 0.461 0.582 0.909 0.545 CB 0.925 12 residues pruned to eliminate duplicates Z: 9 11.501 1.832 0.536 0.782 1.000 0.875 CB 1.127 8 residues pruned to eliminate duplicates Z: 11 5.643 1.630 0.607 0.475 0.700 0.600 CB 0.999 11 residues pruned to eliminate duplicates Z: 9 13.835 1.794 0.577 0.738 1.000 0.750 CA 1.397 9 residues pruned to eliminate duplicates Z: 10 10.272 1.724 0.754 0.667 0.889 0.444 CB 1.092 10 residues pruned to eliminate duplicates Z: 14 8.662 1.625 0.647 0.513 0.769 0.462 CB 1.152 14 residues pruned to eliminate duplicates Z: 13 6.081 1.583 0.260 0.693 0.917 0.500 CB 0.805 13 residues pruned to eliminate duplicates Z: 8 5.763 1.561 0.505 0.828 0.857 0.571 CB 0.815 8 residues pruned to eliminate duplicates Z: 7 11.016 2.003 0.882 0.874 0.833 0.500 CB 1.042 7 residues pruned to eliminate duplicates Z: 11 12.645 1.749 0.804 0.705 1.000 0.700 CB 1.052 17 residues pruned to eliminate duplicates Z: 15 9.304 1.726 0.429 0.499 0.929 0.643 CB 1.087 25 residues pruned to eliminate duplicates Z: 9 8.827 1.661 0.410 0.597 1.000 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 9 16.876 1.739 1.123 0.874 1.000 1.000 CA 1.176 9 residues pruned to eliminate duplicates Z: 18 11.352 1.705 0.350 0.551 0.941 0.588 CB 1.209 18 residues pruned to eliminate duplicates Z: 11 8.653 1.783 0.575 0.583 0.900 0.500 CB 0.999 11 residues pruned to eliminate duplicates Z: 8 11.744 1.794 0.397 0.809 1.000 0.571 CA 1.353 8 residues pruned to eliminate duplicates Z: 9 5.623 1.696 0.364 0.801 0.750 0.250 CB 0.881 8 residues pruned to eliminate duplicates Z: 12 4.614 1.718 0.080 0.562 0.818 0.636 CB 0.862 12 residues pruned to eliminate duplicates Z: 16 8.509 1.817 0.272 0.843 0.867 0.667 CB 0.817 16 residues pruned to eliminate duplicates Z: 10 13.305 1.873 0.695 0.711 1.000 0.556 CB 1.153 10 residues pruned to eliminate duplicates Z: 14 16.676 2.012 0.282 0.882 1.000 1.000 CA 1.297 14 residues pruned to eliminate duplicates Z: 16 11.792 1.554 0.529 0.923 1.000 0.933 CB 0.901 16 residues pruned to eliminate duplicates Z: 7 2.309 1.523 0.353 0.415 0.667 0.500 CB 0.750 7 residues pruned to eliminate duplicates Z: 16 14.269 1.826 0.354 0.870 1.000 0.933 CB 1.088 16 residues pruned to eliminate duplicates Z: 10 5.234 1.539 0.434 0.373 0.889 0.444 C 1.018 10 residues pruned to eliminate duplicates Z: 15 11.086 1.718 0.539 0.595 0.929 0.500 CB 1.102 15 residues pruned to eliminate duplicates Z: 14 8.717 1.741 0.561 0.714 0.846 0.385 CB 0.866 14 residues pruned to eliminate duplicates Z: 16 11.675 1.530 0.454 0.888 1.000 0.600 CB 0.977 16 residues pruned to eliminate duplicates Z: 6 7.243 1.808 0.340 0.717 1.000 1.000 CA 1.098 6 residues pruned to eliminate duplicates Z: 11 8.441 1.546 0.454 0.792 0.900 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 9 3.935 1.381 0.461 0.670 0.750 0.500 CB 0.786 9 residues pruned to eliminate duplicates Z: 6 3.332 1.303 0.049 0.740 1.000 0.800 CB 0.879 6 residues pruned to eliminate duplicates Z: 10 7.388 1.739 0.617 0.542 0.778 0.556 CA 1.080 10 residues pruned to eliminate duplicates Z: 7 9.087 1.846 0.480 0.728 1.000 0.833 CB 1.105 7 residues pruned to eliminate duplicates Z: 23 14.538 1.819 0.570 0.508 1.000 0.727 CB 1.077 23 residues pruned to eliminate duplicates Z: 16 11.390 1.545 0.457 0.875 1.000 0.867 CA 0.950 16 residues pruned to eliminate duplicates Z: 22 9.226 1.663 0.560 0.436 0.857 0.571 CB 0.968 22 residues pruned to eliminate duplicates Z: 22 10.799 1.690 0.399 0.595 0.857 0.571 CB 1.062 21 residues pruned to eliminate duplicates Z: 7 2.236 1.574 -0.003 0.260 0.667 0.333 CB 1.149 7 residues pruned to eliminate duplicates Z: 61 34.292 1.924 0.776 0.666 0.933 0.467 CB 1.191 61 residues pruned to eliminate duplicates Z: 10 18.927 1.813 0.612 0.901 1.000 0.667 CA 1.541 10 residues pruned to eliminate duplicates Z: 17 11.744 1.657 0.639 0.914 0.938 0.750 CB 0.815 17 residues pruned to eliminate duplicates Z: 50 29.156 1.895 0.826 0.592 0.898 0.633 CB 1.228 50 residues pruned to eliminate duplicates Z: 63 27.820 1.881 0.606 0.618 0.919 0.677 CB 1.138 63 residues pruned to eliminate duplicates Z: 9 12.959 1.743 0.817 0.831 1.000 0.750 CA 1.087 9 residues pruned to eliminate duplicates Z: 11 10.041 1.677 0.569 0.684 1.000 0.600 CB 1.019 11 residues pruned to eliminate duplicates Z: 43 27.603 1.924 0.769 0.571 0.929 0.548 CB 1.258 43 residues pruned to eliminate duplicates Z: 7 3.984 1.484 0.274 0.845 1.000 1.000 CB 0.640 Z: 8 5.626 1.628 0.453 0.431 1.000 0.714 CA 0.966 8 residues pruned to eliminate duplicates Z: 8 3.762 1.476 0.366 0.721 0.571 0.429 CA 1.011 8 residues pruned to eliminate duplicates Z: 10 8.712 1.668 0.416 0.804 1.000 0.556 CB 0.942 10 residues pruned to eliminate duplicates Z: 17 9.963 1.807 0.954 0.456 0.812 0.562 CB 0.908 17 residues pruned to eliminate duplicates Z: 66 25.456 1.828 0.582 0.544 0.923 0.585 CB 1.133 66 residues pruned to eliminate duplicates Z: 16 13.150 1.588 0.471 0.896 1.000 0.800 CB 1.041 15 residues pruned to eliminate duplicates Z: 39 22.886 1.901 0.631 0.642 1.000 0.711 CB 1.049 39 residues pruned to eliminate duplicates 6 1.986 1.462 -0.193 0.667 0.600 0.600 CB 1.076 ? Z: 16 14.736 1.854 0.500 0.888 0.867 0.533 CB 1.137 16 residues pruned to eliminate duplicates Z: 7 6.040 1.457 0.524 0.521 1.000 0.500 CB 1.087 Z: 7 9.946 1.716 0.695 0.849 1.000 0.833 CA 1.035 7 residues pruned to eliminate duplicates Z: 19 22.061 1.854 1.016 0.903 0.778 0.389 CA 1.275 19 residues pruned to eliminate duplicates Z: 7 11.226 1.866 0.783 0.830 1.000 0.667 CB 1.035 7 residues pruned to eliminate duplicates Z: 26 25.250 1.878 0.903 0.781 0.920 0.680 CB 1.199 26 residues pruned to eliminate duplicates Z: 34 26.225 1.963 0.924 0.564 0.939 0.697 CB 1.210 34 residues pruned to eliminate duplicates Z: 81 32.854 1.882 0.685 0.538 0.913 0.550 CB 1.222 81 residues pruned to eliminate duplicates Z: 54 31.633 1.879 0.854 0.602 0.981 0.698 CB 1.153 54 residues pruned to eliminate duplicates Z: 6 5.560 1.504 0.245 0.594 1.000 0.800 CB 1.214 5 residues pruned to eliminate duplicates Z: 32 12.628 1.657 0.430 0.488 0.903 0.387 CB 1.072 32 residues pruned to eliminate duplicates Z: 7 4.770 1.557 0.352 0.726 0.667 0.667 CA 1.132 7 residues pruned to eliminate duplicates Z: 15 22.212 1.954 0.652 0.914 1.000 0.714 CB 1.301 15 residues pruned to eliminate duplicates Z: 16 14.530 1.861 0.614 0.864 0.933 0.800 CB 0.981 16 residues pruned to eliminate duplicates Z: 7 6.314 1.593 0.135 0.792 1.000 0.667 CB 1.103 7 residues pruned to eliminate duplicates Z: 12 13.623 1.799 0.668 0.885 1.000 0.818 CB 0.988 12 residues pruned to eliminate duplicates Z: 36 26.899 1.907 0.683 0.656 0.943 0.657 CB 1.300 36 residues pruned to eliminate duplicates Z: 50 26.341 1.888 0.527 0.574 0.959 0.673 CB 1.268 53 residues pruned to eliminate duplicates Z: 9 7.945 1.448 0.518 0.864 0.875 0.875 CA 1.071 9 residues pruned to eliminate duplicates Z: 6 2.928 1.499 0.712 0.231 0.600 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 46 17.516 1.711 0.687 0.479 0.956 0.667 CB 0.967 46 residues pruned to eliminate duplicates Z: 11 6.953 1.516 0.449 0.780 1.000 0.600 CB 0.781 11 residues pruned to eliminate duplicates Z: 70 29.426 1.841 0.780 0.560 0.942 0.551 CB 1.083 67 residues pruned to eliminate duplicates Z: 6 4.208 1.362 0.177 0.787 1.000 0.800 CB 0.912 Z: 6 5.930 1.562 0.520 0.625 1.000 0.600 CB 0.993 6 residues pruned to eliminate duplicates Z: 7 6.731 1.506 0.269 0.813 1.000 0.500 CA 1.095 7 residues pruned to eliminate duplicates 7 1.807 1.251 0.047 0.314 0.833 0.333 C 0.830 ? Z: 9 11.110 1.706 0.282 0.854 1.000 0.875 CB 1.327 9 residues pruned to eliminate duplicates Z: 40 26.652 1.961 0.524 0.624 0.949 0.641 CB 1.339 40 residues pruned to eliminate duplicates Z: 58 32.139 1.927 0.753 0.553 0.930 0.632 CB 1.288 58 residues pruned to eliminate duplicates Z: 10 7.094 1.588 0.430 0.814 1.000 0.667 CB 0.793 10 residues pruned to eliminate duplicates Z: 15 11.016 1.511 0.521 0.913 1.000 0.857 CB 0.907 15 residues pruned to eliminate duplicates Z: 30 22.545 1.856 0.717 0.682 0.862 0.759 CB 1.289 30 residues pruned to eliminate duplicates Z: 18 22.297 1.897 0.696 0.848 1.000 0.706 CB 1.247 18 residues pruned to eliminate duplicates Z: 37 27.172 1.916 0.582 0.674 0.972 0.639 CB 1.310 37 residues pruned to eliminate duplicates Z: 15 14.077 1.785 0.689 0.576 0.857 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 20 8.594 1.708 0.353 0.452 0.842 0.526 CB 1.065 20 residues pruned to eliminate duplicates Z: 6 4.584 1.530 0.142 0.666 0.800 0.600 C 1.258 Z: 33 29.255 1.949 0.722 0.738 0.938 0.688 CB 1.328 33 residues pruned to eliminate duplicates Z: 100 35.565 1.902 0.749 0.535 0.939 0.556 CB 1.106 100 residues pruned to eliminate duplicates Z: 10 8.796 1.705 0.467 0.650 0.889 0.556 CA 1.147 10 residues pruned to eliminate duplicates Z: 10 10.719 1.824 0.440 0.786 0.889 0.444 CB 1.190 10 residues pruned to eliminate duplicates Z: 6 5.766 1.888 1.245 0.440 0.800 0.600 CB 0.809 Z: 7 9.689 1.817 0.641 0.800 0.833 0.667 CB 1.225 7 residues pruned to eliminate duplicates Z: 8 8.882 1.910 0.522 0.867 0.857 0.429 CA 0.986 8 residues pruned to eliminate duplicates Z: 13 11.711 1.749 0.805 0.586 0.917 0.750 CB 1.075 13 residues pruned to eliminate duplicates Z: 11 12.539 1.790 0.593 0.620 1.000 0.600 CA 1.242 11 residues pruned to eliminate duplicates Z: 19 25.536 1.966 0.815 0.902 0.944 0.833 CB 1.274 19 residues pruned to eliminate duplicates Z: 25 14.267 1.852 0.517 0.628 0.792 0.542 CB 1.161 25 residues pruned to eliminate duplicates Z: 44 24.154 1.881 0.521 0.573 0.930 0.581 CB 1.290 44 residues pruned to eliminate duplicates Z: 7 6.654 1.598 0.677 0.864 1.000 0.167 CB 0.743 7 residues pruned to eliminate duplicates Z: 29 14.257 1.821 0.376 0.595 1.000 0.643 CB 0.982 29 residues pruned to eliminate duplicates Z: 48 27.447 1.883 0.744 0.493 0.957 0.489 CB 1.281 48 residues pruned to eliminate duplicates Z: 10 10.707 1.951 0.372 0.863 1.000 0.778 CB 0.979 8 residues pruned to eliminate duplicates Z: 20 13.200 1.830 0.714 0.590 0.947 0.684 CB 0.935 5 residues pruned to eliminate duplicates Z: 6 4.741 1.529 0.653 0.635 0.800 0.600 CB 0.924 6 residues pruned to eliminate duplicates Z: 8 6.728 1.471 0.616 0.602 0.857 0.714 N 1.132 Z: 9 10.154 1.724 0.367 0.820 1.000 0.625 CB 1.154 9 residues pruned to eliminate duplicates Z: 6 5.989 1.678 0.703 0.376 1.000 0.600 CA 1.069 6 residues pruned to eliminate duplicates Z: 6 6.675 1.544 0.742 0.844 1.000 1.000 CB 0.826 8 residues pruned to eliminate duplicates Z: 7 3.040 1.259 0.118 0.522 0.833 0.500 CA 1.035 Z: 8 3.795 1.498 0.622 0.522 0.857 0.714 CB 0.674 8 residues pruned to eliminate duplicates Z: 29 12.226 1.651 0.392 0.411 0.857 0.464 CB 1.288 29 residues pruned to eliminate duplicates Z: 6 5.728 1.577 0.358 0.804 0.800 0.600 CB 1.147 6 residues pruned to eliminate duplicates Z: 7 7.159 1.942 0.321 0.701 0.833 0.667 CA 1.139 7 residues pruned to eliminate duplicates Z: 9 4.426 1.603 0.616 0.303 0.875 0.500 CB 0.860 Z: 11 6.146 1.969 0.295 0.551 0.800 0.500 CB 0.906 6 residues pruned to eliminate duplicates Z: 7 3.126 1.422 -0.061 0.395 1.000 0.333 CA 1.068 7 residues pruned to eliminate duplicates Z: 16 24.351 1.928 0.712 0.923 1.000 0.733 CB 1.339 16 residues pruned to eliminate duplicates Z: 15 21.379 2.008 0.575 0.904 0.929 0.643 CB 1.386 15 residues pruned to eliminate duplicates Z: 53 31.540 1.900 0.810 0.613 0.981 0.692 CB 1.165 53 residues pruned to eliminate duplicates Z: 8 10.171 1.863 0.678 0.888 1.000 0.857 CB 0.886 8 residues pruned to eliminate duplicates Z: 10 9.205 1.752 0.654 0.769 0.889 0.556 CB 0.939 10 residues pruned to eliminate duplicates Z: 16 14.759 1.572 0.676 0.915 1.000 0.800 CB 1.022 16 residues pruned to eliminate duplicates Z: 53 25.919 1.866 0.639 0.607 0.942 0.615 CB 1.127 53 residues pruned to eliminate duplicates Z: 12 6.904 1.413 0.398 0.837 0.818 0.455 CB 0.964 12 residues pruned to eliminate duplicates Z: 10 6.718 1.564 0.530 0.570 0.889 0.444 CB 0.984 10 residues pruned to eliminate duplicates Z: 6 7.526 1.702 0.711 0.693 1.000 0.400 CB 0.969 6 residues pruned to eliminate duplicates Z: 8 10.977 1.801 0.440 0.882 1.000 1.000 CA 1.157 8 residues pruned to eliminate duplicates Z: 31 16.375 1.783 0.665 0.666 0.900 0.533 CB 0.959 31 residues pruned to eliminate duplicates Z: 15 12.627 1.602 0.494 0.896 1.000 0.857 CB 1.010 15 residues pruned to eliminate duplicates Z: 7 5.177 1.532 0.473 0.350 0.833 0.500 C 1.323 7 residues pruned to eliminate duplicates Z: 7 5.860 1.608 0.554 0.701 0.833 0.833 CB 0.957 Z: 32 18.311 1.751 0.678 0.476 0.903 0.516 CB 1.269 32 residues pruned to eliminate duplicates Z: 7 7.335 1.714 0.804 0.881 1.000 0.500 CB 0.702 7 residues pruned to eliminate duplicates Z: 22 16.977 1.819 0.655 0.514 0.905 0.667 CA 1.342 22 residues pruned to eliminate duplicates Z: 20 10.788 1.779 0.454 0.530 0.947 0.526 CB 0.981 20 residues pruned to eliminate duplicates Z: 15 13.136 1.591 0.726 0.921 0.929 0.714 CB 0.969 16 residues pruned to eliminate duplicates Z: 9 10.915 1.628 0.601 0.777 1.000 0.750 CA 1.159 9 residues pruned to eliminate duplicates Z: 13 11.140 1.650 0.353 0.809 1.000 0.417 CB 1.101 13 residues pruned to eliminate duplicates Z: 11 13.982 1.886 0.749 0.707 0.900 0.500 CA 1.234 11 residues pruned to eliminate duplicates Z: 6 9.278 1.942 0.888 0.801 1.000 0.600 CB 0.870 6 residues pruned to eliminate duplicates Z: 8 8.759 1.590 0.765 0.914 1.000 0.286 CB 0.834 8 residues pruned to eliminate duplicates Z: 6 2.311 1.241 0.255 0.493 0.800 0.600 O 0.835 6 residues pruned to eliminate duplicates Z: 6 4.939 1.472 0.045 0.878 1.000 0.800 CA 1.042 Z: 16 7.721 1.787 0.780 0.497 0.733 0.533 CB 0.857 16 residues pruned to eliminate duplicates 6 1.830 1.255 -0.005 0.298 0.800 0.600 O 1.027 ? Z: 7 5.358 1.873 0.804 0.769 0.833 0.833 CB 0.612 7 residues pruned to eliminate duplicates Z: 21 11.809 1.891 0.619 0.514 0.850 0.700 CB 1.000 21 residues pruned to eliminate duplicates 7 1.497 1.147 0.214 0.270 0.667 0.500 N 0.855 ? Z: 16 11.273 1.576 0.610 0.910 0.933 0.467 CB 0.872 16 residues pruned to eliminate duplicates Z: 6 3.651 1.006 0.887 0.715 1.000 0.400 CA 0.708 6 residues pruned to eliminate duplicates Z: 54 34.009 1.891 0.909 0.611 0.981 0.547 CB 1.187 54 residues pruned to eliminate duplicates Z: 6 10.034 1.722 0.830 0.806 0.800 0.400 C 1.363 6 residues pruned to eliminate duplicates Z: 58 24.236 1.838 0.722 0.543 0.912 0.474 CB 1.066 58 residues pruned to eliminate duplicates Z: 8 8.168 1.717 0.378 0.638 1.000 0.571 CB 1.147 8 residues pruned to eliminate duplicates Z: 8 13.899 1.812 0.726 0.862 1.000 0.286 CA 1.233 8 residues pruned to eliminate duplicates Z: 9 15.677 1.719 1.217 0.862 1.000 0.750 CB 1.068 7 residues pruned to eliminate duplicates Z: 15 24.420 2.034 0.786 0.933 0.929 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 7 5.685 1.579 0.510 0.509 1.000 0.667 CB 0.964 7 residues pruned to eliminate duplicates Z: 34 22.314 1.924 0.628 0.692 0.970 0.697 CB 1.073 34 residues pruned to eliminate duplicates Z: 9 4.157 1.750 0.517 0.420 0.875 0.375 CB 0.688 9 residues pruned to eliminate duplicates Z: 16 13.768 1.567 0.757 0.905 0.933 0.733 CB 0.985 16 residues pruned to eliminate duplicates Z: 16 13.023 1.588 0.725 0.925 0.933 0.533 CB 0.923 16 residues pruned to eliminate duplicates Z: 16 13.687 1.711 0.889 0.912 0.933 0.867 CB 0.830 16 residues pruned to eliminate duplicates Z: 6 6.737 1.631 0.378 0.821 1.000 0.600 CA 1.015 6 residues pruned to eliminate duplicates Z: 38 25.634 1.865 0.625 0.638 0.919 0.486 CB 1.329 38 residues pruned to eliminate duplicates Z: 9 3.593 1.483 0.029 0.537 0.875 0.625 CB 0.917 9 residues pruned to eliminate duplicates Z: 13 7.732 1.656 0.713 0.449 0.917 0.750 CB 0.904 15 residues pruned to eliminate duplicates Z: 8 6.543 1.480 0.359 0.832 0.714 0.571 CA 1.292 8 residues pruned to eliminate duplicates 6 1.408 1.441 0.423 0.177 0.600 0.400 N 0.756 ? Z: 9 7.048 1.843 0.113 0.562 0.875 0.625 CB 1.307 9 residues pruned to eliminate duplicates Z: 6 6.091 1.612 0.683 0.720 0.800 0.400 CB 1.029 6 residues pruned to eliminate duplicates Z: 12 13.759 1.775 0.626 0.715 1.000 0.909 CB 1.183 12 residues pruned to eliminate duplicates Z: 25 13.292 1.820 0.732 0.412 0.875 0.458 CB 1.079 25 residues pruned to eliminate duplicates Z: 26 31.388 1.881 0.960 0.784 0.960 0.680 CA 1.381 26 residues pruned to eliminate duplicates Z: 9 8.068 1.962 0.661 0.605 0.875 0.625 CB 0.906 9 residues pruned to eliminate duplicates Z: 16 15.088 1.604 0.755 0.920 1.000 0.667 CB 0.974 15 residues pruned to eliminate duplicates Z: 22 13.929 1.767 0.682 0.444 0.905 0.571 CA 1.197 22 residues pruned to eliminate duplicates Z: 17 25.662 1.999 0.735 0.918 1.000 0.938 CB 1.305 17 residues pruned to eliminate duplicates 6 1.769 1.280 0.229 0.481 0.600 0.400 N 0.854 ? Z: 10 6.047 1.392 0.645 0.822 1.000 0.444 CB 0.665 9 residues pruned to eliminate duplicates Z: 72 32.855 1.875 0.827 0.502 0.915 0.563 CB 1.241 72 residues pruned to eliminate duplicates Z: 7 7.950 1.632 0.504 0.863 1.000 1.000 CA 0.970 7 residues pruned to eliminate duplicates Z: 29 15.173 1.779 0.522 0.601 0.821 0.643 CB 1.171 29 residues pruned to eliminate duplicates Z: 13 15.054 1.978 0.325 0.869 1.000 0.917 CA 1.211 13 residues pruned to eliminate duplicates 916 residues left after pruning, divided into chains as follows: A: 14 B: 6 C: 7 D: 9 E: 25 F: 6 G: 10 H: 13 I: 11 J: 8 K: 20 L: 23 M: 25 N: 185 O: 9 P: 6 Q: 11 R: 158 S: 7 T: 111 U: 26 V: 9 W: 16 X: 16 Y: 124 Z: 16 Z: 18 Z: 27 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 32.22 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.395, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.486, Connect. = 0.760 for dens.mod. cycle 2 = 0.300, Contrast = 0.556, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.571, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.583, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.590, Connect. = 0.786 for dens.mod. cycle 6 = 0.300, Contrast = 0.596, Connect. = 0.787 for dens.mod. cycle 7 = 0.300, Contrast = 0.600, Connect. = 0.788 for dens.mod. cycle 8 = 0.300, Contrast = 0.604, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.608, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5613 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1095 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 22.352 2.077 0.792 0.557 0.958 0.667 CB 1.210 B: 25 16.683 2.083 0.511 0.514 0.917 0.542 CB 1.164 C: 21 27.355 1.987 0.465 0.914 1.000 0.850 CA 1.487 D: 21 25.774 1.991 0.383 0.891 1.000 0.600 CB 1.504 21 residues pruned to eliminate duplicates E: 19 29.302 2.192 0.470 0.926 0.944 0.778 CB 1.592 F: 21 36.373 2.053 0.943 0.921 0.950 0.700 CB 1.510 19 residues pruned to eliminate duplicates G: 10 16.481 1.993 0.385 0.845 1.000 0.778 CA 1.479 H: 10 12.704 1.924 0.218 0.872 1.000 0.778 CA 1.317 I: 21 25.065 2.009 0.513 0.924 0.950 0.850 CB 1.363 J: 10 18.308 2.003 0.440 0.874 1.000 0.778 CA 1.539 10 residues pruned to eliminate duplicates K: 15 25.420 2.158 0.557 0.881 0.929 0.357 CB 1.576 L: 19 31.641 2.129 0.686 0.923 1.000 0.778 CB 1.460 M: 20 28.202 2.041 0.651 0.906 0.947 0.789 CA 1.442 19 residues pruned to eliminate duplicates N: 19 28.946 2.098 0.605 0.909 1.000 0.833 CB 1.439 20 residues pruned to eliminate duplicates O: 7 10.876 1.777 0.347 0.782 1.000 0.833 CB 1.447 P: 19 39.948 2.228 0.889 0.947 0.944 0.778 CB 1.637 21 residues pruned to eliminate duplicates Q: 25 20.290 2.092 0.793 0.513 0.917 0.542 CB 1.189 26 residues pruned to eliminate duplicates R: 9 14.207 1.927 0.464 0.885 1.000 1.000 CB 1.286 S: 15 27.745 2.200 0.661 0.851 0.929 0.786 CA 1.618 15 residues pruned to eliminate duplicates T: 19 35.978 2.149 0.777 0.927 1.000 0.667 CB 1.556 21 residues pruned to eliminate duplicates U: 9 9.076 2.020 0.539 0.758 0.750 0.625 CA 1.094 V: 9 16.455 1.983 0.442 0.905 1.000 0.875 CB 1.448 9 residues pruned to eliminate duplicates W: 9 25.271 2.148 0.811 0.868 1.000 0.750 CA 1.679 X: 49 34.728 2.124 0.705 0.526 0.958 0.625 CB 1.408 Y: 12 15.606 2.093 0.547 0.855 1.000 0.636 CB 1.073 9 residues pruned to eliminate duplicates Z: 19 32.761 2.147 0.571 0.918 1.000 0.722 CB 1.615 20 residues pruned to eliminate duplicates Z: 9 13.244 2.102 0.334 0.721 1.000 0.250 CB 1.368 Z: 7 14.628 2.024 0.741 0.780 1.000 0.500 CB 1.324 7 residues pruned to eliminate duplicates Z: 12 13.100 1.964 0.242 0.910 1.000 0.636 CB 1.149 12 residues pruned to eliminate duplicates Z: 20 26.900 2.055 0.414 0.901 1.000 0.737 CB 1.516 20 residues pruned to eliminate duplicates Z: 20 31.413 2.053 0.991 0.939 0.895 0.316 CB 1.369 21 residues pruned to eliminate duplicates Z: 23 21.043 2.167 0.569 0.533 0.955 0.682 CB 1.338 23 residues pruned to eliminate duplicates Z: 20 9.512 1.920 0.524 0.324 0.789 0.474 CB 1.146 Z: 14 26.328 2.163 0.498 0.918 1.000 0.769 CA 1.590 Z: 34 26.720 1.987 0.676 0.642 0.848 0.515 CB 1.441 25 residues pruned to eliminate duplicates Z: 12 21.810 2.203 0.594 0.818 0.909 0.455 CB 1.563 12 residues pruned to eliminate duplicates Z: 14 12.727 2.007 0.246 0.742 0.923 0.615 CB 1.232 Z: 20 28.025 1.991 0.588 0.905 1.000 0.842 CB 1.448 20 residues pruned to eliminate duplicates Z: 10 14.139 1.796 0.444 0.865 1.000 0.778 CB 1.332 10 residues pruned to eliminate duplicates Z: 48 32.304 2.147 0.612 0.516 0.957 0.574 CB 1.400 17 residues pruned to eliminate duplicates Z: 20 30.112 2.117 0.524 0.942 1.000 0.895 CB 1.485 20 residues pruned to eliminate duplicates Z: 114 46.434 2.063 0.620 0.570 0.938 0.681 CB 1.303 9 residues pruned to eliminate duplicates Z: 19 25.639 2.096 0.402 0.919 1.000 0.944 CA 1.450 19 residues pruned to eliminate duplicates Z: 20 26.112 2.073 0.570 0.930 0.947 0.842 CB 1.359 20 residues pruned to eliminate duplicates Z: 16 21.119 2.080 0.396 0.855 0.933 0.867 CA 1.485 16 residues pruned to eliminate duplicates Z: 16 29.810 2.068 0.706 0.925 1.000 0.800 CA 1.530 14 residues pruned to eliminate duplicates Z: 11 14.318 1.861 0.661 0.548 1.000 0.600 CA 1.398 Z: 15 24.477 2.186 0.430 0.924 0.929 0.929 CA 1.583 15 residues pruned to eliminate duplicates Z: 19 35.523 2.141 0.801 0.941 1.000 0.722 CB 1.507 19 residues pruned to eliminate duplicates Z: 7 11.047 1.766 0.565 0.737 1.000 0.667 CB 1.319 Z: 9 18.780 2.145 0.460 0.816 1.000 0.750 CB 1.610 8 residues pruned to eliminate duplicates Z: 24 19.503 2.142 0.739 0.527 0.870 0.522 CB 1.223 25 residues pruned to eliminate duplicates Z: 15 23.375 2.166 0.389 0.875 1.000 0.714 CA 1.511 15 residues pruned to eliminate duplicates Z: 57 33.029 2.091 0.645 0.544 0.911 0.643 CB 1.350 16 residues pruned to eliminate duplicates Z: 9 17.521 2.060 0.518 0.813 1.000 0.750 CB 1.509 9 residues pruned to eliminate duplicates Z: 20 26.844 2.118 0.389 0.881 1.000 0.895 CB 1.516 20 residues pruned to eliminate duplicates Z: 19 24.410 2.146 0.389 0.917 0.944 0.889 CA 1.443 19 residues pruned to eliminate duplicates Z: 31 28.225 1.991 0.592 0.677 0.933 0.567 CB 1.480 31 residues pruned to eliminate duplicates Z: 9 9.271 2.059 0.142 0.780 1.000 0.875 CB 1.089 9 residues pruned to eliminate duplicates Z: 9 21.046 2.070 0.658 0.863 1.000 0.875 CA 1.590 9 residues pruned to eliminate duplicates Z: 21 32.567 1.985 1.075 0.903 0.950 0.500 CA 1.326 20 residues pruned to eliminate duplicates Z: 8 21.170 2.043 1.149 0.904 1.000 0.857 CB 1.298 10 residues pruned to eliminate duplicates Z: 9 17.521 1.983 0.578 0.876 1.000 0.750 CA 1.439 9 residues pruned to eliminate duplicates Z: 11 15.038 2.026 0.642 0.680 0.900 0.600 CB 1.346 Z: 99 53.343 2.142 0.772 0.561 0.929 0.541 CB 1.441 99 residues pruned to eliminate duplicates Z: 9 14.714 1.983 0.450 0.881 1.000 0.625 CA 1.309 9 residues pruned to eliminate duplicates Z: 16 16.152 2.106 0.433 0.873 0.867 0.800 CB 1.162 Z: 20 31.197 2.103 0.701 0.910 0.947 0.789 CB 1.498 20 residues pruned to eliminate duplicates Z: 10 21.689 2.021 0.699 0.866 1.000 1.000 CA 1.541 10 residues pruned to eliminate duplicates Z: 16 23.801 2.073 0.502 0.927 0.933 0.933 CA 1.482 16 residues pruned to eliminate duplicates Z: 11 21.157 2.166 0.519 0.863 0.900 0.600 CA 1.658 11 residues pruned to eliminate duplicates Z: 19 31.044 2.116 0.639 0.903 1.000 0.778 CB 1.503 19 residues pruned to eliminate duplicates Z: 9 22.190 2.044 0.702 0.914 1.000 1.000 CA 1.595 9 residues pruned to eliminate duplicates Z: 8 15.175 2.330 0.508 0.805 1.000 0.571 CB 1.251 8 residues pruned to eliminate duplicates Z: 22 29.161 2.223 0.854 0.580 1.000 0.429 CB 1.430 7 residues pruned to eliminate duplicates Z: 12 13.333 2.076 0.500 0.865 0.909 0.727 CB 1.041 12 residues pruned to eliminate duplicates Z: 15 22.192 2.178 0.425 0.875 0.929 0.714 CA 1.497 15 residues pruned to eliminate duplicates Z: 21 24.338 1.982 0.379 0.893 1.000 0.900 CB 1.429 21 residues pruned to eliminate duplicates Z: 9 21.044 2.000 1.034 0.903 1.000 0.625 CB 1.304 Z: 20 33.706 2.085 0.668 0.915 1.000 0.684 CA 1.572 20 residues pruned to eliminate duplicates Z: 45 29.224 2.076 0.575 0.685 0.977 0.682 CB 1.164 45 residues pruned to eliminate duplicates Z: 18 19.643 1.870 0.531 0.900 1.000 0.824 CB 1.189 Z: 8 16.518 2.267 0.629 0.803 1.000 0.571 CB 1.298 8 residues pruned to eliminate duplicates Z: 27 28.104 2.075 0.742 0.732 0.885 0.538 CB 1.400 19 residues pruned to eliminate duplicates Z: 14 13.926 2.153 0.155 0.798 0.923 0.462 CB 1.296 13 residues pruned to eliminate duplicates Z: 16 15.453 2.091 0.589 0.836 0.867 0.800 CB 1.037 16 residues pruned to eliminate duplicates Z: 20 27.446 2.030 0.575 0.918 1.000 0.842 CA 1.389 20 residues pruned to eliminate duplicates Z: 8 10.390 2.051 0.205 0.876 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 36 33.905 2.187 0.822 0.542 0.943 0.714 CB 1.463 36 residues pruned to eliminate duplicates Z: 25 17.014 2.004 0.347 0.623 0.875 0.583 CB 1.309 17 residues pruned to eliminate duplicates Z: 15 25.446 2.176 0.569 0.840 0.929 0.500 CA 1.601 15 residues pruned to eliminate duplicates Z: 24 20.830 2.148 0.583 0.549 1.000 0.522 CB 1.217 24 residues pruned to eliminate duplicates Z: 18 16.937 1.839 0.320 0.914 1.000 0.941 CB 1.196 18 residues pruned to eliminate duplicates Z: 106 52.499 2.137 0.677 0.565 0.924 0.581 CB 1.453 106 residues pruned to eliminate duplicates Z: 14 15.733 1.832 0.617 0.893 0.923 0.769 CB 1.146 13 residues pruned to eliminate duplicates Z: 21 21.647 1.987 0.307 0.918 1.000 0.900 CA 1.314 21 residues pruned to eliminate duplicates Z: 10 15.173 1.971 0.691 0.877 0.889 0.667 CA 1.240 10 residues pruned to eliminate duplicates Z: 19 35.157 2.137 0.904 0.951 0.944 0.556 CB 1.486 20 residues pruned to eliminate duplicates Z: 61 30.022 1.991 0.682 0.623 0.917 0.633 CB 1.124 61 residues pruned to eliminate duplicates Z: 121 51.740 2.119 0.602 0.558 0.942 0.683 CB 1.397 114 residues pruned to eliminate duplicates Z: 16 16.923 2.070 0.583 0.833 0.867 0.800 CB 1.154 16 residues pruned to eliminate duplicates Z: 51 31.329 2.120 0.732 0.527 0.920 0.520 CB 1.278 51 residues pruned to eliminate duplicates Z: 8 19.608 2.122 0.507 0.901 1.000 1.000 CA 1.654 8 residues pruned to eliminate duplicates Z: 7 8.464 1.722 0.260 0.869 1.000 0.667 CA 1.163 7 residues pruned to eliminate duplicates Z: 18 18.663 1.875 0.478 0.914 1.000 0.824 CB 1.155 18 residues pruned to eliminate duplicates Z: 19 27.553 2.097 0.456 0.946 1.000 1.000 CB 1.471 19 residues pruned to eliminate duplicates Z: 18 21.171 1.850 0.683 0.913 1.000 0.882 CB 1.167 Z: 7 7.716 1.928 0.391 0.834 0.833 0.500 CB 1.057 Z: 14 8.670 1.950 -0.116 0.725 0.923 0.615 CB 1.234 Z: 14 14.621 2.142 0.210 0.786 0.923 0.538 CB 1.317 14 residues pruned to eliminate duplicates Z: 7 8.556 1.585 0.330 0.743 1.000 0.667 CA 1.333 Z: 15 17.559 1.825 0.766 0.494 1.000 0.571 CB 1.465 Z: 35 33.947 2.066 0.732 0.699 0.912 0.706 CB 1.488 28 residues pruned to eliminate duplicates Z: 11 14.859 2.155 0.499 0.882 1.000 0.600 CB 1.053 8 residues pruned to eliminate duplicates Z: 6 7.729 1.779 0.630 0.741 1.000 1.000 CB 0.960 Z: 18 19.514 1.868 0.533 0.894 1.000 0.824 CB 1.186 17 residues pruned to eliminate duplicates Z: 20 36.362 2.104 0.864 0.949 1.000 0.579 CB 1.468 20 residues pruned to eliminate duplicates Z: 10 13.589 1.866 0.465 0.599 1.000 0.889 CB 1.507 9 residues pruned to eliminate duplicates Z: 19 36.817 2.143 0.991 0.922 0.944 0.556 CB 1.514 20 residues pruned to eliminate duplicates Z: 15 26.389 2.197 0.550 0.899 0.929 0.714 CA 1.594 15 residues pruned to eliminate duplicates Z: 9 10.961 2.005 0.209 0.850 1.000 0.500 CA 1.184 9 residues pruned to eliminate duplicates Z: 15 23.555 2.169 0.503 0.879 0.929 0.786 CA 1.507 15 residues pruned to eliminate duplicates Z: 12 13.178 2.012 0.274 0.811 1.000 0.364 CB 1.183 7 residues pruned to eliminate duplicates Z: 17 14.918 2.009 0.466 0.878 0.875 0.812 CB 1.050 17 residues pruned to eliminate duplicates Z: 7 8.933 1.668 0.655 0.716 1.000 0.833 CA 1.087 Z: 7 8.522 2.138 -0.007 0.844 1.000 0.833 CB 1.219 7 residues pruned to eliminate duplicates Z: 10 9.718 1.929 0.499 0.682 0.778 0.444 CA 1.219 10 residues pruned to eliminate duplicates Z: 19 36.804 2.175 0.835 0.946 1.000 0.722 CB 1.503 19 residues pruned to eliminate duplicates Z: 10 18.603 2.013 0.561 0.844 1.000 0.778 CA 1.468 10 residues pruned to eliminate duplicates Z: 11 11.260 2.023 0.221 0.834 0.900 0.700 CB 1.200 11 residues pruned to eliminate duplicates Z: 9 20.886 2.120 0.623 0.884 1.000 0.875 CA 1.551 9 residues pruned to eliminate duplicates Z: 21 13.233 1.816 0.368 0.578 0.850 0.450 CB 1.300 27 residues pruned to eliminate duplicates Z: 20 32.924 2.064 0.701 0.934 1.000 0.842 CB 1.500 19 residues pruned to eliminate duplicates Z: 16 16.560 2.039 0.461 0.876 0.867 0.733 CB 1.203 16 residues pruned to eliminate duplicates Z: 14 19.947 2.155 0.256 0.905 1.000 0.846 CA 1.455 14 residues pruned to eliminate duplicates Z: 11 16.234 2.040 0.562 0.696 1.000 0.600 CB 1.348 11 residues pruned to eliminate duplicates Z: 10 15.826 1.860 0.676 0.860 0.889 0.778 CA 1.400 10 residues pruned to eliminate duplicates Z: 20 35.744 2.153 0.910 0.892 0.947 0.789 CB 1.512 20 residues pruned to eliminate duplicates Z: 6 4.366 1.583 0.372 0.485 0.800 0.600 CB 1.141 6 residues pruned to eliminate duplicates Z: 12 24.151 1.983 0.861 0.720 1.000 0.727 CB 1.618 15 residues pruned to eliminate duplicates Z: 25 22.282 2.081 0.694 0.559 1.000 0.625 CB 1.218 24 residues pruned to eliminate duplicates Z: 9 20.327 1.900 1.227 0.905 1.000 0.625 CB 1.208 8 residues pruned to eliminate duplicates Z: 15 23.696 2.173 0.504 0.838 0.929 0.571 CA 1.560 15 residues pruned to eliminate duplicates Z: 15 28.130 2.159 0.599 0.900 1.000 0.571 CA 1.555 15 residues pruned to eliminate duplicates Z: 6 6.453 1.817 0.378 0.761 1.000 0.800 CA 0.914 6 residues pruned to eliminate duplicates Z: 14 12.930 2.154 0.016 0.745 1.000 0.385 CB 1.316 14 residues pruned to eliminate duplicates Z: 24 23.857 2.102 0.764 0.589 1.000 0.609 CB 1.231 24 residues pruned to eliminate duplicates Z: 19 36.099 2.150 0.752 0.945 1.000 0.833 CB 1.563 19 residues pruned to eliminate duplicates Z: 7 19.438 2.294 0.676 0.886 1.000 0.667 CB 1.489 7 residues pruned to eliminate duplicates Z: 19 30.773 2.129 0.670 0.916 1.000 0.611 CB 1.441 19 residues pruned to eliminate duplicates Z: 10 11.049 1.969 0.245 0.772 0.778 0.556 CB 1.518 10 residues pruned to eliminate duplicates Z: 18 36.107 2.172 0.800 0.944 1.000 0.588 CB 1.552 18 residues pruned to eliminate duplicates Z: 55 34.084 2.030 0.625 0.628 0.963 0.741 CB 1.294 34 residues pruned to eliminate duplicates Z: 103 46.940 2.094 0.653 0.540 0.941 0.598 CB 1.372 103 residues pruned to eliminate duplicates Z: 8 7.765 1.765 0.103 0.699 1.000 0.714 CA 1.257 8 residues pruned to eliminate duplicates Z: 6 10.764 1.782 0.757 0.700 1.000 1.000 CA 1.281 6 residues pruned to eliminate duplicates Z: 19 29.904 2.118 0.724 0.910 0.944 0.500 CB 1.449 19 residues pruned to eliminate duplicates Z: 13 10.651 1.952 0.508 0.542 0.833 0.583 CB 1.203 Z: 13 10.655 2.050 0.144 0.754 0.917 0.417 CB 1.141 13 residues pruned to eliminate duplicates Z: 15 26.143 2.166 0.558 0.914 0.929 0.786 CA 1.577 15 residues pruned to eliminate duplicates Z: 20 34.514 2.082 0.917 0.908 0.947 0.526 CB 1.488 20 residues pruned to eliminate duplicates Z: 17 19.203 1.801 0.580 0.900 1.000 0.938 CB 1.205 Z: 16 21.148 2.044 0.479 0.870 0.933 0.600 CA 1.412 16 residues pruned to eliminate duplicates Z: 32 31.388 2.234 0.731 0.592 1.000 0.645 CB 1.334 33 residues pruned to eliminate duplicates Z: 106 50.594 2.118 0.678 0.566 0.943 0.590 CB 1.381 79 residues pruned to eliminate duplicates Z: 8 7.398 1.863 0.389 0.783 0.714 0.571 CB 1.179 8 residues pruned to eliminate duplicates Z: 21 24.736 2.047 0.387 0.906 0.950 0.850 CB 1.459 21 residues pruned to eliminate duplicates Z: 9 7.377 1.581 0.317 0.789 0.875 0.500 CA 1.110 9 residues pruned to eliminate duplicates Z: 15 28.397 2.207 0.534 0.920 1.000 0.571 CA 1.578 15 residues pruned to eliminate duplicates Z: 8 20.866 2.082 0.734 0.891 1.000 0.714 CB 1.570 8 residues pruned to eliminate duplicates Z: 19 36.118 2.122 0.846 0.933 1.000 0.611 CB 1.517 19 residues pruned to eliminate duplicates Z: 97 52.911 2.137 0.721 0.573 0.958 0.646 CB 1.428 97 residues pruned to eliminate duplicates Z: 12 12.594 1.966 0.571 0.635 0.909 0.636 CB 1.192 8 residues pruned to eliminate duplicates Z: 12 26.731 2.088 0.887 0.746 1.000 0.727 CA 1.642 12 residues pruned to eliminate duplicates Z: 30 26.096 2.047 0.560 0.577 0.966 0.621 CA 1.459 30 residues pruned to eliminate duplicates Z: 21 39.417 2.081 0.939 0.911 0.950 0.600 CB 1.630 19 residues pruned to eliminate duplicates Z: 17 11.408 1.970 0.119 0.540 1.000 0.625 CB 1.243 17 residues pruned to eliminate duplicates Z: 26 20.057 2.078 0.747 0.528 1.000 0.640 CB 1.075 26 residues pruned to eliminate duplicates Z: 12 12.651 1.851 0.540 0.618 0.909 0.727 CB 1.317 Z: 15 23.581 2.186 0.500 0.875 0.929 0.786 CA 1.505 15 residues pruned to eliminate duplicates Z: 8 11.574 2.221 0.322 0.834 0.857 0.571 CB 1.303 Z: 10 20.924 2.150 0.731 0.787 1.000 0.667 CB 1.456 10 residues pruned to eliminate duplicates Z: 15 29.138 2.193 0.734 0.924 0.929 0.786 CA 1.549 15 residues pruned to eliminate duplicates Z: 18 20.304 1.879 0.617 0.905 1.000 0.706 CB 1.153 18 residues pruned to eliminate duplicates Z: 19 32.791 2.129 0.792 0.921 0.944 0.444 CB 1.509 19 residues pruned to eliminate duplicates Z: 14 14.077 1.886 0.748 0.851 0.846 0.846 CB 1.036 12 residues pruned to eliminate duplicates Z: 17 16.968 2.009 0.551 0.876 0.875 0.812 CB 1.131 17 residues pruned to eliminate duplicates Z: 15 22.955 2.161 0.445 0.895 0.929 0.857 CA 1.516 15 residues pruned to eliminate duplicates Z: 15 21.045 2.164 0.638 0.904 1.000 0.786 CB 1.129 15 residues pruned to eliminate duplicates Z: 8 14.713 2.198 0.426 0.856 1.000 0.571 CA 1.308 8 residues pruned to eliminate duplicates Z: 23 18.669 2.045 0.583 0.629 0.818 0.545 CB 1.331 14 residues pruned to eliminate duplicates Z: 11 17.732 2.003 0.666 0.690 1.000 0.500 CA 1.412 8 residues pruned to eliminate duplicates Z: 17 18.392 1.975 0.635 0.834 0.938 0.625 CB 1.138 17 residues pruned to eliminate duplicates Z: 11 6.372 1.646 0.187 0.668 0.800 0.400 CB 1.104 11 residues pruned to eliminate duplicates Z: 27 27.426 1.969 0.609 0.734 0.923 0.577 CB 1.491 27 residues pruned to eliminate duplicates Z: 10 15.632 2.137 0.437 0.886 1.000 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 6 7.506 1.911 0.037 0.805 1.000 0.600 CA 1.298 6 residues pruned to eliminate duplicates Z: 13 13.518 1.882 0.533 0.689 0.917 0.750 CB 1.240 13 residues pruned to eliminate duplicates Z: 15 25.579 2.148 0.598 0.867 1.000 0.643 CA 1.457 15 residues pruned to eliminate duplicates Z: 16 20.190 2.052 0.384 0.859 1.000 0.600 CA 1.351 16 residues pruned to eliminate duplicates Z: 18 19.033 1.866 0.490 0.904 1.000 0.824 CB 1.182 18 residues pruned to eliminate duplicates Z: 19 29.919 2.138 0.517 0.919 1.000 0.833 CB 1.533 19 residues pruned to eliminate duplicates Z: 21 34.413 2.079 0.696 0.920 1.000 0.650 CB 1.537 21 residues pruned to eliminate duplicates Z: 11 12.514 1.838 0.477 0.608 0.900 0.700 CB 1.461 11 residues pruned to eliminate duplicates Z: 9 12.106 1.879 0.302 0.830 1.000 0.750 CB 1.315 9 residues pruned to eliminate duplicates Z: 108 51.418 2.133 0.701 0.559 0.953 0.589 CB 1.358 86 residues pruned to eliminate duplicates Z: 8 14.864 1.995 0.734 0.854 1.000 0.714 CB 1.199 8 residues pruned to eliminate duplicates Z: 9 17.682 1.870 0.552 0.879 1.000 0.750 CA 1.562 9 residues pruned to eliminate duplicates Z: 10 12.350 1.800 0.572 0.819 0.889 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 6 6.192 1.832 0.119 0.776 1.000 0.800 CB 1.058 6 residues pruned to eliminate duplicates Z: 19 35.566 2.194 0.754 0.955 0.944 0.889 CB 1.586 19 residues pruned to eliminate duplicates Z: 18 18.893 1.866 0.491 0.900 1.000 0.706 CB 1.176 18 residues pruned to eliminate duplicates Z: 45 27.465 2.058 0.603 0.653 0.955 0.636 CB 1.140 45 residues pruned to eliminate duplicates Z: 20 31.624 2.086 0.747 0.943 0.947 0.632 CA 1.456 20 residues pruned to eliminate duplicates Z: 34 37.646 2.123 0.747 0.733 0.939 0.697 CB 1.526 35 residues pruned to eliminate duplicates Z: 15 22.078 2.127 0.389 0.911 0.929 0.786 CA 1.524 15 residues pruned to eliminate duplicates Z: 9 10.999 1.863 0.317 0.906 1.000 0.875 CB 1.127 9 residues pruned to eliminate duplicates Z: 9 13.483 1.962 0.336 0.859 1.000 0.750 CA 1.338 9 residues pruned to eliminate duplicates Z: 14 16.999 1.824 0.684 0.654 1.000 0.769 CB 1.330 14 residues pruned to eliminate duplicates Z: 16 23.543 2.044 0.521 0.911 1.000 0.733 CA 1.386 16 residues pruned to eliminate duplicates Z: 9 14.071 1.893 0.605 0.597 1.000 0.750 CA 1.493 9 residues pruned to eliminate duplicates Z: 6 5.360 1.856 0.088 0.852 0.800 0.600 CB 1.097 6 residues pruned to eliminate duplicates Z: 7 11.627 1.677 0.744 0.709 1.000 0.667 O 1.343 7 residues pruned to eliminate duplicates Z: 9 17.888 2.292 0.484 0.881 1.000 0.875 CA 1.346 9 residues pruned to eliminate duplicates Z: 9 10.308 2.073 0.331 0.811 0.750 0.625 CB 1.343 9 residues pruned to eliminate duplicates Z: 15 14.081 2.119 0.257 0.730 0.929 0.500 CB 1.236 15 residues pruned to eliminate duplicates Z: 9 9.108 1.803 0.458 0.768 0.750 0.500 CA 1.288 9 residues pruned to eliminate duplicates Z: 14 20.777 1.877 0.844 0.702 0.923 0.692 CA 1.500 14 residues pruned to eliminate duplicates Z: 9 9.547 1.768 0.558 0.881 1.000 0.625 CB 0.888 9 residues pruned to eliminate duplicates Z: 20 34.943 2.087 0.957 0.904 0.895 0.632 CB 1.561 20 residues pruned to eliminate duplicates Z: 13 12.882 1.791 0.384 0.849 0.917 0.750 CB 1.214 Z: 12 10.939 1.958 0.782 0.530 0.818 0.545 CB 1.122 Z: 20 35.447 2.054 0.815 0.937 1.000 0.737 CB 1.518 19 residues pruned to eliminate duplicates Z: 106 46.095 2.126 0.543 0.546 0.914 0.590 CB 1.434 106 residues pruned to eliminate duplicates Z: 6 3.604 1.679 -0.029 0.719 0.800 0.600 CA 1.013 6 residues pruned to eliminate duplicates Z: 123 52.781 2.077 0.669 0.565 0.967 0.582 CB 1.338 115 residues pruned to eliminate duplicates Z: 20 29.904 2.030 0.538 0.920 1.000 0.684 CB 1.548 20 residues pruned to eliminate duplicates Z: 14 11.732 1.831 0.640 0.590 0.846 0.462 CB 1.175 13 residues pruned to eliminate duplicates Z: 15 24.898 2.150 0.463 0.937 1.000 1.000 CB 1.472 15 residues pruned to eliminate duplicates Z: 23 8.195 1.720 0.392 0.320 0.727 0.364 CB 1.224 Z: 21 30.206 2.041 0.522 0.920 1.000 0.850 CB 1.531 21 residues pruned to eliminate duplicates Z: 17 18.694 1.997 0.529 0.884 0.938 0.812 CB 1.179 17 residues pruned to eliminate duplicates Z: 21 20.134 2.000 0.554 0.529 1.000 0.700 CB 1.408 21 residues pruned to eliminate duplicates Z: 19 36.805 2.208 0.831 0.925 0.944 0.500 CB 1.595 19 residues pruned to eliminate duplicates Z: 9 9.498 1.858 0.443 0.750 0.875 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 7 9.532 1.793 0.409 0.741 1.000 0.667 CB 1.241 Z: 8 16.707 2.116 0.590 0.871 0.857 0.714 CA 1.597 8 residues pruned to eliminate duplicates Z: 9 21.221 2.112 0.544 0.923 1.000 0.875 CA 1.618 9 residues pruned to eliminate duplicates Z: 15 14.439 1.842 0.268 0.904 1.000 0.857 CB 1.176 13 residues pruned to eliminate duplicates Z: 15 16.316 2.120 0.351 0.916 0.929 0.857 CB 1.157 15 residues pruned to eliminate duplicates Z: 10 17.818 1.918 0.831 0.646 1.000 0.556 CB 1.476 14 residues pruned to eliminate duplicates Z: 16 16.871 2.062 0.277 0.897 0.867 0.800 CA 1.366 16 residues pruned to eliminate duplicates Z: 105 49.213 2.111 0.677 0.538 0.952 0.567 CB 1.379 105 residues pruned to eliminate duplicates Z: 102 50.219 2.114 0.749 0.543 0.921 0.644 CB 1.406 105 residues pruned to eliminate duplicates Z: 18 30.860 2.137 0.821 0.903 0.941 0.353 CB 1.456 18 residues pruned to eliminate duplicates Z: 9 18.836 1.974 0.961 0.871 1.000 0.625 CB 1.254 10 residues pruned to eliminate duplicates Z: 20 26.594 2.054 0.383 0.941 1.000 0.842 CB 1.490 20 residues pruned to eliminate duplicates Z: 15 15.060 2.076 0.204 0.811 0.929 0.500 CB 1.323 15 residues pruned to eliminate duplicates Z: 12 14.089 2.076 0.972 0.581 0.909 0.545 CB 1.056 12 residues pruned to eliminate duplicates Z: 9 9.960 2.045 0.404 0.681 0.750 0.625 CA 1.385 9 residues pruned to eliminate duplicates Z: 15 23.444 2.157 0.348 0.894 1.000 0.929 CA 1.546 15 residues pruned to eliminate duplicates Z: 20 20.902 2.049 0.181 0.929 1.000 0.895 CB 1.387 20 residues pruned to eliminate duplicates Z: 7 4.931 1.414 0.667 0.742 0.833 0.333 CB 0.825 7 residues pruned to eliminate duplicates Z: 17 19.032 1.820 0.527 0.923 1.000 0.938 CB 1.203 17 residues pruned to eliminate duplicates Z: 57 24.028 1.962 0.582 0.566 0.857 0.625 CB 1.132 57 residues pruned to eliminate duplicates Z: 20 34.213 2.100 0.862 0.941 1.000 0.632 CB 1.393 20 residues pruned to eliminate duplicates Z: 28 20.058 2.027 0.401 0.673 0.889 0.556 CB 1.303 29 residues pruned to eliminate duplicates Z: 44 28.079 2.110 0.651 0.516 0.884 0.628 CB 1.368 44 residues pruned to eliminate duplicates Z: 8 17.457 2.019 0.973 0.880 1.000 0.714 CB 1.200 8 residues pruned to eliminate duplicates Z: 19 39.025 2.127 0.940 0.952 1.000 0.667 CA 1.535 24 residues pruned to eliminate duplicates Z: 8 9.141 1.874 0.334 0.880 1.000 0.571 CB 1.001 8 residues pruned to eliminate duplicates Z: 30 28.363 2.172 0.694 0.580 0.966 0.621 CA 1.372 29 residues pruned to eliminate duplicates Z: 9 19.473 2.051 0.465 0.910 1.000 0.625 CA 1.626 9 residues pruned to eliminate duplicates Z: 9 15.516 2.056 0.695 0.801 0.875 0.500 CA 1.383 9 residues pruned to eliminate duplicates Z: 19 29.160 2.180 0.623 0.907 0.889 0.667 CB 1.554 19 residues pruned to eliminate duplicates Z: 8 15.730 1.951 0.735 0.880 1.000 1.000 CB 1.273 8 residues pruned to eliminate duplicates Z: 19 32.512 2.163 0.832 0.934 0.889 0.778 CB 1.517 19 residues pruned to eliminate duplicates Z: 114 45.243 2.083 0.641 0.523 0.894 0.575 CB 1.362 111 residues pruned to eliminate duplicates Z: 91 50.590 2.131 0.672 0.562 0.967 0.611 CB 1.458 93 residues pruned to eliminate duplicates Z: 66 44.328 2.161 0.689 0.534 0.954 0.569 CB 1.528 65 residues pruned to eliminate duplicates Z: 62 31.440 2.059 0.655 0.587 0.885 0.623 CB 1.227 62 residues pruned to eliminate duplicates Z: 15 22.652 2.081 0.567 0.900 0.929 0.643 CA 1.428 15 residues pruned to eliminate duplicates Z: 20 20.511 1.991 0.624 0.884 0.895 0.421 CB 1.175 20 residues pruned to eliminate duplicates Z: 19 30.609 2.169 0.631 0.938 0.944 0.611 CB 1.501 19 residues pruned to eliminate duplicates Z: 42 30.368 2.117 0.586 0.489 0.951 0.537 CB 1.502 42 residues pruned to eliminate duplicates Z: 7 10.130 1.716 0.564 0.860 0.833 0.667 CA 1.359 7 residues pruned to eliminate duplicates Z: 20 28.902 2.070 0.540 0.912 0.947 0.789 CB 1.554 20 residues pruned to eliminate duplicates Z: 23 18.962 2.097 0.432 0.684 0.864 0.682 CB 1.317 23 residues pruned to eliminate duplicates Z: 67 37.944 2.116 0.547 0.570 0.924 0.500 CB 1.442 67 residues pruned to eliminate duplicates Z: 19 20.001 1.811 0.620 0.923 1.000 0.611 CB 1.129 18 residues pruned to eliminate duplicates Z: 9 22.478 2.100 0.700 0.887 1.000 0.875 CB 1.604 9 residues pruned to eliminate duplicates Z: 20 36.286 2.114 0.784 0.935 1.000 0.737 CB 1.538 20 residues pruned to eliminate duplicates Z: 9 16.050 1.926 0.852 0.908 1.000 0.625 CB 1.130 9 residues pruned to eliminate duplicates Z: 10 20.600 2.093 0.850 0.909 1.000 0.889 CA 1.258 10 residues pruned to eliminate duplicates Z: 11 10.487 1.722 0.447 0.743 0.800 0.500 C 1.339 11 residues pruned to eliminate duplicates Z: 9 18.393 2.162 0.445 0.836 1.000 0.875 CA 1.559 9 residues pruned to eliminate duplicates Z: 14 14.651 1.831 0.863 0.557 1.000 0.538 CB 1.127 13 residues pruned to eliminate duplicates Z: 20 39.738 2.144 0.857 0.935 1.000 0.579 CB 1.597 20 residues pruned to eliminate duplicates Z: 17 17.270 1.817 0.406 0.912 1.000 0.812 CB 1.197 17 residues pruned to eliminate duplicates Z: 15 32.313 2.189 0.768 0.907 1.000 0.786 CA 1.586 15 residues pruned to eliminate duplicates Z: 9 10.136 1.943 0.480 0.532 0.875 0.625 CA 1.381 9 residues pruned to eliminate duplicates Z: 18 19.839 1.843 0.645 0.905 0.941 0.765 CB 1.201 18 residues pruned to eliminate duplicates Z: 8 13.624 2.227 0.399 0.835 0.857 0.571 CA 1.444 8 residues pruned to eliminate duplicates Z: 11 12.804 1.943 0.505 0.827 1.000 0.500 CB 1.044 7 residues pruned to eliminate duplicates Z: 9 14.717 1.805 0.813 0.909 1.000 0.750 CB 1.129 9 residues pruned to eliminate duplicates Z: 8 12.645 1.883 0.566 0.869 0.857 0.571 CA 1.381 8 residues pruned to eliminate duplicates Z: 13 11.837 1.948 0.197 0.744 1.000 0.583 CB 1.178 13 residues pruned to eliminate duplicates Z: 6 3.619 1.674 -0.063 0.777 0.800 0.600 CA 1.010 Z: 19 27.417 2.119 0.525 0.923 0.944 0.833 CB 1.487 19 residues pruned to eliminate duplicates Z: 19 39.383 2.179 0.987 0.943 0.944 0.444 CB 1.573 20 residues pruned to eliminate duplicates Z: 9 21.081 2.067 0.616 0.913 1.000 0.625 CA 1.579 9 residues pruned to eliminate duplicates Z: 20 32.588 2.091 0.743 0.935 1.000 0.526 CB 1.430 20 residues pruned to eliminate duplicates Z: 19 35.121 2.154 0.830 0.950 1.000 0.778 CB 1.448 19 residues pruned to eliminate duplicates Z: 15 18.095 2.172 0.366 0.868 0.857 0.857 CA 1.390 15 residues pruned to eliminate duplicates Z: 11 13.219 1.803 0.828 0.659 0.900 0.800 CB 1.216 9 residues pruned to eliminate duplicates Z: 6 9.794 1.688 0.583 0.832 1.000 0.400 CA 1.230 6 residues pruned to eliminate duplicates Z: 24 22.494 2.108 0.697 0.592 1.000 0.565 CB 1.201 24 residues pruned to eliminate duplicates Z: 24 19.944 2.059 0.603 0.627 0.913 0.522 CB 1.224 23 residues pruned to eliminate duplicates Z: 6 6.840 1.694 0.072 0.801 1.000 0.800 CB 1.294 Z: 7 13.238 1.868 1.348 0.710 0.833 0.833 CB 1.222 Z: 10 19.354 2.013 0.411 0.927 1.000 0.889 CA 1.591 10 residues pruned to eliminate duplicates Z: 6 9.401 2.022 0.175 0.765 1.000 0.600 CB 1.399 6 residues pruned to eliminate duplicates Z: 64 36.104 2.078 0.592 0.589 0.905 0.635 CB 1.396 64 residues pruned to eliminate duplicates Z: 29 32.252 2.098 0.794 0.763 0.929 0.500 CB 1.381 53 residues pruned to eliminate duplicates Z: 48 38.007 2.178 0.694 0.526 0.979 0.468 CA 1.496 47 residues pruned to eliminate duplicates Z: 6 5.107 1.692 -0.054 0.719 1.000 0.600 CA 1.171 12 residues pruned to eliminate duplicates Z: 8 14.075 2.181 0.317 0.860 1.000 0.857 CA 1.362 8 residues pruned to eliminate duplicates Z: 146 57.663 2.105 0.654 0.589 0.924 0.566 CB 1.367 146 residues pruned to eliminate duplicates Z: 10 9.455 2.027 0.259 0.714 0.778 0.444 CB 1.308 11 residues pruned to eliminate duplicates Z: 10 11.969 2.082 0.201 0.838 0.889 0.667 CA 1.342 10 residues pruned to eliminate duplicates Z: 8 4.943 1.631 0.079 0.692 1.000 0.857 CB 0.891 7 residues pruned to eliminate duplicates Z: 22 15.256 1.958 0.421 0.522 0.857 0.429 CB 1.365 22 residues pruned to eliminate duplicates Z: 21 30.119 2.036 0.577 0.906 1.000 0.750 CB 1.492 21 residues pruned to eliminate duplicates Z: 8 9.293 1.983 0.240 0.860 1.000 0.714 CB 1.051 8 residues pruned to eliminate duplicates Z: 6 11.052 1.882 1.135 0.604 0.800 0.600 CB 1.393 7 residues pruned to eliminate duplicates Z: 80 46.427 2.097 0.683 0.594 0.937 0.646 CB 1.444 85 residues pruned to eliminate duplicates Z: 9 9.073 1.863 0.140 0.832 0.875 0.750 CB 1.296 9 residues pruned to eliminate duplicates Z: 9 12.215 2.103 0.391 0.803 0.875 0.625 CA 1.295 9 residues pruned to eliminate duplicates Z: 8 9.371 1.725 0.391 0.789 1.000 0.286 CA 1.145 8 residues pruned to eliminate duplicates Z: 24 20.780 1.986 0.513 0.659 0.913 0.652 CB 1.363 24 residues pruned to eliminate duplicates Z: 6 6.063 1.735 -0.059 0.763 1.000 0.800 CA 1.315 6 residues pruned to eliminate duplicates Z: 17 14.963 1.744 0.530 0.897 1.000 0.750 CB 1.004 15 residues pruned to eliminate duplicates Z: 45 33.417 2.162 0.561 0.638 0.909 0.659 CB 1.442 45 residues pruned to eliminate duplicates Z: 19 36.952 2.153 0.938 0.941 1.000 0.333 CB 1.448 19 residues pruned to eliminate duplicates Z: 7 10.833 1.739 0.595 0.761 1.000 0.833 CB 1.264 6 residues pruned to eliminate duplicates Z: 21 32.975 1.982 0.888 0.936 1.000 0.650 CA 1.372 21 residues pruned to eliminate duplicates Z: 106 55.506 2.139 0.688 0.561 0.971 0.581 CB 1.455 106 residues pruned to eliminate duplicates Z: 11 12.759 1.996 0.519 0.694 0.900 0.500 CB 1.238 11 residues pruned to eliminate duplicates Z: 15 23.015 2.147 0.581 0.823 1.000 0.500 CB 1.369 15 residues pruned to eliminate duplicates Z: 9 9.473 1.848 0.194 0.875 1.000 0.875 CB 1.105 9 residues pruned to eliminate duplicates Z: 7 6.267 1.760 0.154 0.658 0.833 0.667 CA 1.304 7 residues pruned to eliminate duplicates Z: 9 17.163 1.954 0.689 0.902 1.000 0.625 CB 1.312 9 residues pruned to eliminate duplicates Z: 14 19.806 1.902 0.735 0.648 1.000 0.769 CB 1.450 14 residues pruned to eliminate duplicates Z: 46 38.844 2.146 0.728 0.601 0.956 0.622 CB 1.484 46 residues pruned to eliminate duplicates Z: 11 12.038 2.009 0.454 0.778 0.900 0.500 CB 1.133 11 residues pruned to eliminate duplicates Z: 12 16.652 1.892 0.678 0.708 1.000 0.636 CB 1.310 11 residues pruned to eliminate duplicates Z: 16 16.670 2.049 0.341 0.845 0.933 0.800 CB 1.248 16 residues pruned to eliminate duplicates Z: 10 12.898 1.844 0.766 0.588 0.889 0.778 CB 1.364 10 residues pruned to eliminate duplicates Z: 104 48.927 2.123 0.646 0.575 0.922 0.544 CB 1.391 93 residues pruned to eliminate duplicates Z: 25 21.469 2.096 0.739 0.573 1.000 0.708 CB 1.121 25 residues pruned to eliminate duplicates Z: 43 30.376 2.117 0.644 0.548 0.905 0.571 CB 1.420 43 residues pruned to eliminate duplicates Z: 35 30.570 2.120 0.502 0.704 0.941 0.706 CB 1.453 35 residues pruned to eliminate duplicates Z: 10 17.961 1.945 0.401 0.905 1.000 0.889 CA 1.564 10 residues pruned to eliminate duplicates Z: 9 14.927 1.894 0.904 0.841 1.000 0.625 CB 1.092 9 residues pruned to eliminate duplicates Z: 7 4.564 1.700 0.181 0.714 1.000 0.500 CB 0.765 6 residues pruned to eliminate duplicates Z: 8 15.788 2.202 0.494 0.874 1.000 0.857 CA 1.319 8 residues pruned to eliminate duplicates Z: 8 9.405 1.970 0.204 0.889 1.000 1.000 CB 1.079 8 residues pruned to eliminate duplicates Z: 8 10.958 2.156 0.416 0.798 0.857 0.857 CB 1.219 8 residues pruned to eliminate duplicates Z: 132 55.866 2.086 0.752 0.574 0.962 0.618 CB 1.292 134 residues pruned to eliminate duplicates 6 0.624 1.654 -0.047 0.473 0.800 0.400 CB 0.227 ? Z: 62 31.233 2.044 0.493 0.576 0.967 0.607 CB 1.259 62 residues pruned to eliminate duplicates Z: 8 7.431 1.750 0.207 0.807 0.857 0.429 CA 1.187 8 residues pruned to eliminate duplicates Z: 7 6.698 1.615 0.415 0.737 0.833 0.833 CA 1.161 7 residues pruned to eliminate duplicates Z: 107 50.604 2.125 0.698 0.558 0.943 0.585 CB 1.365 107 residues pruned to eliminate duplicates Z: 47 35.656 2.141 0.642 0.528 0.978 0.435 CB 1.487 47 residues pruned to eliminate duplicates Z: 63 34.729 2.057 0.680 0.593 0.952 0.613 CB 1.227 63 residues pruned to eliminate duplicates Z: 8 20.024 2.128 0.765 0.846 1.000 1.000 CB 1.498 8 residues pruned to eliminate duplicates Z: 29 17.348 1.997 0.561 0.478 0.821 0.429 CB 1.310 20 residues pruned to eliminate duplicates Z: 6 5.045 1.768 0.621 0.636 0.800 0.800 CB 0.866 Z: 9 17.996 2.121 0.458 0.899 1.000 0.875 CA 1.471 9 residues pruned to eliminate duplicates Z: 10 9.126 1.632 0.611 0.866 0.889 0.778 CB 0.953 10 residues pruned to eliminate duplicates Z: 9 13.482 1.961 0.605 0.891 0.875 0.750 CA 1.244 9 residues pruned to eliminate duplicates Z: 56 42.871 2.162 0.734 0.566 0.982 0.600 CB 1.474 56 residues pruned to eliminate duplicates Z: 13 13.240 1.783 0.257 0.855 1.000 0.583 CB 1.259 11 residues pruned to eliminate duplicates Z: 9 12.086 1.907 0.460 0.866 1.000 0.750 CB 1.124 9 residues pruned to eliminate duplicates Z: 51 34.257 2.148 0.712 0.550 0.940 0.660 CB 1.334 51 residues pruned to eliminate duplicates Z: 8 9.014 1.829 0.247 0.810 0.857 0.714 CB 1.330 8 residues pruned to eliminate duplicates Z: 16 14.173 2.039 0.424 0.579 0.933 0.667 CB 1.252 16 residues pruned to eliminate duplicates Z: 15 21.625 2.124 0.686 0.890 1.000 0.786 CB 1.161 15 residues pruned to eliminate duplicates Z: 30 32.373 2.201 0.797 0.586 0.966 0.724 CA 1.449 30 residues pruned to eliminate duplicates Z: 30 18.615 2.023 0.403 0.444 0.897 0.552 CB 1.440 30 residues pruned to eliminate duplicates Z: 10 8.155 1.679 0.188 0.824 0.889 0.444 CA 1.157 10 residues pruned to eliminate duplicates Z: 11 8.099 1.662 0.487 0.763 1.000 0.500 CB 0.821 11 residues pruned to eliminate duplicates Z: 16 11.406 2.021 0.504 0.543 0.800 0.467 CB 1.162 Z: 16 23.035 2.069 0.423 0.889 1.000 0.800 CB 1.455 16 residues pruned to eliminate duplicates Z: 80 40.884 2.063 0.624 0.581 0.962 0.633 CB 1.321 80 residues pruned to eliminate duplicates Z: 11 12.911 2.075 0.330 0.848 1.000 0.500 CB 1.098 11 residues pruned to eliminate duplicates Z: 9 20.922 1.944 1.222 0.900 1.000 0.875 CB 1.223 9 residues pruned to eliminate duplicates Z: 7 10.212 1.870 0.600 0.860 1.000 0.667 CB 1.025 7 residues pruned to eliminate duplicates Z: 30 14.024 1.938 0.612 0.419 0.793 0.483 CB 1.144 30 residues pruned to eliminate duplicates Z: 6 4.434 1.751 0.169 0.795 0.800 0.800 CB 0.935 Z: 49 30.440 2.096 0.579 0.522 0.938 0.646 CB 1.385 49 residues pruned to eliminate duplicates Z: 20 12.715 1.911 0.374 0.489 0.947 0.737 CB 1.186 20 residues pruned to eliminate duplicates Z: 10 6.525 1.616 0.437 0.716 0.778 0.556 CA 0.991 10 residues pruned to eliminate duplicates Z: 8 8.377 1.676 0.182 0.781 1.000 0.429 CB 1.248 8 residues pruned to eliminate duplicates Z: 18 18.085 1.829 0.644 0.892 0.941 0.941 CB 1.113 18 residues pruned to eliminate duplicates Z: 52 34.427 2.086 0.625 0.608 0.961 0.686 CB 1.335 52 residues pruned to eliminate duplicates Z: 16 15.701 2.091 0.491 0.869 0.867 0.733 CB 1.096 16 residues pruned to eliminate duplicates Z: 18 20.990 1.877 0.498 0.930 1.000 0.941 CB 1.266 18 residues pruned to eliminate duplicates Z: 26 18.515 2.013 0.550 0.507 0.920 0.560 CB 1.282 26 residues pruned to eliminate duplicates Z: 9 20.743 1.958 1.073 0.854 1.000 0.750 CB 1.334 9 residues pruned to eliminate duplicates Z: 26 26.072 2.169 0.794 0.477 0.880 0.560 CB 1.558 26 residues pruned to eliminate duplicates Z: 123 52.971 2.102 0.601 0.594 0.959 0.623 CB 1.358 123 residues pruned to eliminate duplicates Z: 18 17.649 1.835 0.466 0.912 1.000 0.882 CB 1.128 18 residues pruned to eliminate duplicates Z: 21 18.570 1.991 0.643 0.542 0.950 0.550 CB 1.283 21 residues pruned to eliminate duplicates Z: 17 18.897 1.794 0.581 0.907 1.000 0.625 CB 1.183 17 residues pruned to eliminate duplicates Z: 18 16.870 1.726 0.612 0.918 1.000 0.529 CB 1.037 18 residues pruned to eliminate duplicates Z: 115 50.201 2.051 0.689 0.566 0.974 0.614 CB 1.308 115 residues pruned to eliminate duplicates Z: 7 10.354 2.090 0.137 0.815 1.000 0.833 CA 1.353 7 residues pruned to eliminate duplicates Z: 13 15.718 2.131 0.467 0.668 0.917 0.583 CA 1.356 13 residues pruned to eliminate duplicates Z: 17 19.314 1.793 0.665 0.896 1.000 0.750 CB 1.159 17 residues pruned to eliminate duplicates Z: 21 32.748 2.063 0.948 0.869 0.900 0.600 CB 1.479 21 residues pruned to eliminate duplicates Z: 18 26.120 2.174 0.246 0.923 1.000 0.941 CB 1.643 18 residues pruned to eliminate duplicates Z: 36 25.012 2.020 0.745 0.422 0.943 0.543 CB 1.379 36 residues pruned to eliminate duplicates Z: 7 2.672 1.645 0.285 0.322 0.667 0.500 CB 0.941 7 residues pruned to eliminate duplicates Z: 20 18.748 1.947 0.571 0.553 1.000 0.421 CB 1.335 20 residues pruned to eliminate duplicates Z: 8 11.702 1.842 1.033 0.629 1.000 0.714 CA 1.046 8 residues pruned to eliminate duplicates Z: 78 38.161 2.094 0.667 0.519 0.909 0.584 CB 1.345 78 residues pruned to eliminate duplicates Z: 9 19.724 1.980 0.895 0.918 1.000 0.750 CA 1.311 9 residues pruned to eliminate duplicates Z: 31 26.646 1.972 0.625 0.716 0.900 0.533 CB 1.387 31 residues pruned to eliminate duplicates Z: 14 11.066 1.837 0.533 0.702 0.769 0.462 CB 1.178 14 residues pruned to eliminate duplicates Z: 18 17.917 1.874 0.496 0.908 0.941 0.529 CB 1.169 18 residues pruned to eliminate duplicates Z: 7 6.511 1.446 0.457 0.713 0.833 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 16 14.911 1.745 0.467 0.923 1.000 0.733 CB 1.057 16 residues pruned to eliminate duplicates Z: 13 11.136 2.013 0.113 0.730 1.000 0.417 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 9.272 1.720 0.506 0.740 1.000 0.500 CB 1.179 9 residues pruned to eliminate duplicates Z: 21 30.324 2.047 0.489 0.919 1.000 0.950 CA 1.568 21 residues pruned to eliminate duplicates Z: 20 28.452 2.069 0.524 0.921 0.947 0.842 CB 1.538 20 residues pruned to eliminate duplicates Z: 15 21.919 2.168 0.730 0.905 0.929 0.786 CB 1.197 15 residues pruned to eliminate duplicates Z: 19 26.605 2.113 0.573 0.914 0.889 0.667 CB 1.501 19 residues pruned to eliminate duplicates Z: 10 6.128 1.727 0.321 0.774 0.778 0.333 CB 0.903 10 residues pruned to eliminate duplicates Z: 7 10.600 1.934 0.407 0.858 1.000 0.833 CB 1.171 7 residues pruned to eliminate duplicates Z: 28 31.919 2.225 0.796 0.555 1.000 0.519 CB 1.457 28 residues pruned to eliminate duplicates Z: 6 4.909 1.761 0.231 0.838 0.800 0.800 CB 0.946 6 residues pruned to eliminate duplicates Z: 16 13.662 1.690 0.285 0.875 1.000 0.867 CB 1.182 16 residues pruned to eliminate duplicates Z: 17 20.524 1.993 0.598 0.863 1.000 0.812 CB 1.183 17 residues pruned to eliminate duplicates Z: 15 22.486 2.148 0.466 0.854 0.929 0.429 CB 1.518 15 residues pruned to eliminate duplicates Z: 16 17.858 1.865 0.555 0.905 1.000 0.733 CB 1.131 16 residues pruned to eliminate duplicates Z: 18 19.922 1.877 0.613 0.892 1.000 0.647 CB 1.146 18 residues pruned to eliminate duplicates Z: 9 7.158 1.897 0.073 0.792 0.750 0.625 CB 1.283 9 residues pruned to eliminate duplicates Z: 15 23.778 2.136 0.926 0.914 0.929 0.857 CB 1.176 15 residues pruned to eliminate duplicates Z: 9 13.189 2.006 0.503 0.727 0.875 0.625 CB 1.440 10 residues pruned to eliminate duplicates Z: 13 14.962 1.945 0.614 0.578 0.917 0.833 CB 1.392 13 residues pruned to eliminate duplicates Z: 19 36.733 2.125 0.914 0.950 1.000 0.500 CB 1.468 19 residues pruned to eliminate duplicates Z: 8 20.979 2.237 1.121 0.848 1.000 0.714 CA 1.240 8 residues pruned to eliminate duplicates Z: 7 5.650 1.827 -0.106 0.792 1.000 0.667 CB 1.093 7 residues pruned to eliminate duplicates Z: 13 14.031 2.071 0.627 0.446 0.833 0.583 CA 1.524 13 residues pruned to eliminate duplicates Z: 17 18.799 1.783 0.661 0.924 1.000 0.750 CB 1.114 17 residues pruned to eliminate duplicates Z: 43 27.376 2.012 0.643 0.503 0.929 0.500 CB 1.373 43 residues pruned to eliminate duplicates Z: 12 9.748 1.875 0.187 0.719 1.000 0.636 CB 1.083 12 residues pruned to eliminate duplicates Z: 15 20.458 2.162 0.612 0.888 0.929 0.786 CB 1.218 15 residues pruned to eliminate duplicates Z: 96 42.532 2.085 0.569 0.538 0.947 0.611 CB 1.356 96 residues pruned to eliminate duplicates Z: 8 14.225 2.148 0.457 0.841 1.000 0.714 CB 1.280 8 residues pruned to eliminate duplicates Z: 11 15.007 1.882 0.479 0.783 0.900 0.600 CA 1.477 11 residues pruned to eliminate duplicates Z: 47 33.336 2.071 0.689 0.607 0.957 0.696 CB 1.327 47 residues pruned to eliminate duplicates Z: 16 20.706 2.065 0.744 0.911 0.933 0.600 CB 1.127 16 residues pruned to eliminate duplicates Z: 10 7.194 1.838 0.092 0.794 0.778 0.778 CB 1.187 10 residues pruned to eliminate duplicates Z: 13 15.029 2.065 0.381 0.805 0.917 0.583 CB 1.272 13 residues pruned to eliminate duplicates Z: 77 38.886 2.094 0.651 0.518 0.961 0.645 CB 1.320 77 residues pruned to eliminate duplicates Z: 7 7.513 1.695 0.409 0.727 1.000 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 7 4.839 1.502 0.448 0.788 0.667 0.500 CA 1.058 7 residues pruned to eliminate duplicates Z: 103 47.736 2.075 0.598 0.548 0.961 0.578 CB 1.415 78 residues pruned to eliminate duplicates Z: 19 19.874 1.788 0.686 0.898 1.000 0.556 CB 1.111 19 residues pruned to eliminate duplicates Z: 15 21.157 2.182 0.639 0.913 0.929 0.786 CB 1.205 15 residues pruned to eliminate duplicates Z: 123 53.063 2.105 0.666 0.569 0.934 0.582 CB 1.372 125 residues pruned to eliminate duplicates Z: 17 16.733 1.788 0.411 0.891 1.000 0.875 CB 1.192 17 residues pruned to eliminate duplicates Z: 27 19.467 2.015 0.391 0.670 0.923 0.615 CB 1.261 25 residues pruned to eliminate duplicates Z: 13 14.798 1.929 0.669 0.681 1.000 0.500 CB 1.123 10 residues pruned to eliminate duplicates Z: 8 11.618 1.796 0.677 0.872 1.000 0.429 CB 1.063 8 residues pruned to eliminate duplicates Z: 21 21.155 2.142 0.491 0.677 0.900 0.550 CB 1.398 21 residues pruned to eliminate duplicates Z: 32 26.072 1.911 0.807 0.725 0.871 0.452 CB 1.270 32 residues pruned to eliminate duplicates Z: 108 51.602 2.125 0.717 0.551 0.935 0.607 CB 1.392 108 residues pruned to eliminate duplicates Z: 23 22.241 2.139 0.714 0.539 0.955 0.591 CB 1.303 16 residues pruned to eliminate duplicates Z: 8 9.423 1.827 0.494 0.859 0.857 0.571 CB 1.120 8 residues pruned to eliminate duplicates Z: 10 14.136 1.839 0.556 0.800 1.000 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 38 29.875 2.060 0.566 0.625 0.946 0.730 CB 1.431 38 residues pruned to eliminate duplicates Z: 6 3.355 1.806 0.433 0.756 0.800 0.400 CB 0.577 6 residues pruned to eliminate duplicates Z: 19 26.613 2.132 0.445 0.911 1.000 0.611 CB 1.443 19 residues pruned to eliminate duplicates Z: 8 10.939 1.907 0.888 0.788 0.714 0.714 CB 1.248 8 residues pruned to eliminate duplicates Z: 6 6.765 1.691 0.430 0.884 0.800 0.800 CB 1.130 6 residues pruned to eliminate duplicates Z: 8 8.533 1.852 0.180 0.749 1.000 0.286 CB 1.181 8 residues pruned to eliminate duplicates Z: 13 12.762 1.901 0.670 0.591 0.917 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 6 11.610 2.063 0.488 0.750 1.000 0.800 CB 1.353 6 residues pruned to eliminate duplicates Z: 17 18.150 1.968 0.584 0.851 0.938 0.688 CB 1.150 17 residues pruned to eliminate duplicates Z: 13 12.874 1.984 0.537 0.689 0.917 0.750 CB 1.119 13 residues pruned to eliminate duplicates Z: 10 6.584 1.805 0.273 0.669 1.000 0.556 CB 0.817 10 residues pruned to eliminate duplicates Z: 12 7.801 1.965 0.602 0.499 0.636 0.545 CB 1.176 12 residues pruned to eliminate duplicates Z: 25 19.646 2.097 0.692 0.541 0.958 0.667 CB 1.133 24 residues pruned to eliminate duplicates Z: 9 9.666 1.895 0.227 0.784 0.875 0.625 CB 1.308 9 residues pruned to eliminate duplicates Z: 18 18.098 1.820 0.503 0.907 1.000 0.882 CB 1.141 18 residues pruned to eliminate duplicates Z: 22 25.967 2.188 0.789 0.607 0.952 0.762 CB 1.372 22 residues pruned to eliminate duplicates Z: 6 7.541 1.807 0.612 0.451 1.000 0.600 CB 1.217 7 residues pruned to eliminate duplicates Z: 17 17.294 1.889 0.309 0.917 1.000 1.000 CB 1.234 17 residues pruned to eliminate duplicates Z: 23 17.733 2.035 0.667 0.455 0.909 0.545 CB 1.284 23 residues pruned to eliminate duplicates Z: 26 13.177 1.836 0.396 0.608 0.920 0.760 CB 1.008 26 residues pruned to eliminate duplicates Z: 11 14.732 2.047 1.242 0.545 0.900 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 10 16.521 1.915 0.550 0.893 1.000 0.889 CA 1.331 10 residues pruned to eliminate duplicates Z: 72 37.947 2.039 0.672 0.569 0.944 0.648 CB 1.309 72 residues pruned to eliminate duplicates Z: 9 11.896 1.794 0.619 0.627 0.875 0.750 CB 1.469 9 residues pruned to eliminate duplicates Z: 16 19.419 2.077 0.690 0.918 0.933 0.800 CB 1.080 16 residues pruned to eliminate duplicates Z: 7 2.794 1.504 0.306 0.454 0.667 0.500 CB 0.913 Z: 87 46.037 2.083 0.665 0.569 0.953 0.640 CB 1.405 87 residues pruned to eliminate duplicates Z: 48 39.707 2.147 0.753 0.549 0.979 0.489 CA 1.499 48 residues pruned to eliminate duplicates Z: 17 31.241 2.094 0.911 0.923 0.938 0.500 CB 1.463 17 residues pruned to eliminate duplicates Z: 17 20.134 1.916 0.552 0.897 1.000 0.750 CB 1.212 17 residues pruned to eliminate duplicates Z: 11 10.518 2.031 0.350 0.513 0.900 0.600 CB 1.330 11 residues pruned to eliminate duplicates Z: 39 36.356 2.218 0.787 0.528 1.000 0.605 CA 1.447 40 residues pruned to eliminate duplicates Z: 16 26.320 2.046 0.875 0.896 0.933 0.667 CB 1.360 16 residues pruned to eliminate duplicates Z: 9 16.883 1.964 0.635 0.912 0.875 0.625 CA 1.504 9 residues pruned to eliminate duplicates Z: 9 16.497 2.120 0.484 0.862 0.875 0.750 CA 1.556 9 residues pruned to eliminate duplicates Z: 6 4.640 1.869 0.123 0.727 0.800 0.600 CA 1.006 6 residues pruned to eliminate duplicates Z: 10 21.131 1.978 0.564 0.925 1.000 0.778 CA 1.598 10 residues pruned to eliminate duplicates Z: 15 22.615 2.135 0.346 0.916 1.000 0.857 CA 1.485 15 residues pruned to eliminate duplicates Z: 21 20.540 2.138 0.787 0.529 0.800 0.600 CB 1.461 21 residues pruned to eliminate duplicates Z: 20 39.232 2.155 0.973 0.924 0.947 0.579 CB 1.569 19 residues pruned to eliminate duplicates Z: 15 26.025 2.114 0.532 0.893 1.000 0.500 CB 1.541 15 residues pruned to eliminate duplicates Z: 10 8.104 1.858 0.088 0.760 1.000 0.778 CB 1.060 10 residues pruned to eliminate duplicates Z: 125 50.338 2.061 0.694 0.591 0.935 0.573 CB 1.269 125 residues pruned to eliminate duplicates Z: 18 17.239 1.887 0.593 0.880 0.882 0.882 CB 1.142 18 residues pruned to eliminate duplicates Z: 9 5.786 1.758 0.203 0.247 0.875 0.625 CB 1.479 9 residues pruned to eliminate duplicates Z: 38 20.149 1.976 0.420 0.487 0.865 0.486 CB 1.382 38 residues pruned to eliminate duplicates Z: 8 13.875 2.082 0.254 0.839 1.000 1.000 CB 1.499 8 residues pruned to eliminate duplicates Z: 8 13.168 1.866 0.609 0.843 0.857 0.714 CA 1.440 8 residues pruned to eliminate duplicates Z: 9 11.894 2.082 0.283 0.846 1.000 0.875 CB 1.170 9 residues pruned to eliminate duplicates Z: 12 9.256 2.031 0.431 0.559 0.818 0.727 CB 1.108 12 residues pruned to eliminate duplicates Z: 17 18.861 1.925 0.420 0.882 1.000 0.875 CB 1.249 17 residues pruned to eliminate duplicates Z: 9 10.106 1.807 0.473 0.658 1.000 0.500 CA 1.159 9 residues pruned to eliminate duplicates Z: 114 38.965 1.948 0.579 0.529 0.894 0.513 CB 1.296 114 residues pruned to eliminate duplicates Z: 8 13.363 1.895 0.627 0.818 1.000 0.429 CB 1.243 8 residues pruned to eliminate duplicates Z: 123 48.446 2.053 0.696 0.547 0.918 0.672 CB 1.310 123 residues pruned to eliminate duplicates Z: 13 10.714 2.086 0.829 0.519 0.833 0.667 CB 0.954 13 residues pruned to eliminate duplicates Z: 94 50.340 2.125 0.680 0.582 0.968 0.613 CB 1.396 94 residues pruned to eliminate duplicates Z: 30 20.723 1.981 0.484 0.622 0.828 0.517 CA 1.409 30 residues pruned to eliminate duplicates Z: 38 28.856 2.035 0.522 0.621 0.946 0.676 CB 1.444 38 residues pruned to eliminate duplicates Z: 8 5.452 1.819 0.429 0.761 0.571 0.571 CB 1.100 8 residues pruned to eliminate duplicates Z: 72 36.537 2.060 0.563 0.570 0.915 0.563 CB 1.375 72 residues pruned to eliminate duplicates Z: 8 11.520 1.879 0.494 0.816 0.857 0.714 CB 1.376 8 residues pruned to eliminate duplicates Z: 79 31.216 1.987 0.604 0.598 0.872 0.667 CB 1.159 79 residues pruned to eliminate duplicates Z: 6 5.846 1.812 0.327 0.447 0.800 0.800 C 1.434 Z: 26 24.618 1.991 0.451 0.772 0.920 0.800 CA 1.457 22 residues pruned to eliminate duplicates Z: 9 3.895 1.688 0.226 0.636 0.875 0.750 CB 0.669 Z: 119 48.601 2.104 0.594 0.572 0.924 0.619 CB 1.347 119 residues pruned to eliminate duplicates Z: 13 26.055 2.325 0.795 0.651 1.000 0.417 CA 1.566 13 residues pruned to eliminate duplicates Z: 9 13.431 2.075 0.715 0.848 0.875 0.750 CA 1.131 9 residues pruned to eliminate duplicates Z: 16 18.858 1.858 0.532 0.915 1.000 0.533 CB 1.209 16 residues pruned to eliminate duplicates Z: 10 6.734 1.653 0.164 0.768 1.000 0.556 CA 0.920 10 residues pruned to eliminate duplicates Z: 52 28.949 2.034 0.453 0.554 0.902 0.569 CB 1.443 52 residues pruned to eliminate duplicates Z: 24 20.975 2.130 0.668 0.567 0.957 0.609 CB 1.207 24 residues pruned to eliminate duplicates Z: 44 28.443 2.044 0.618 0.493 0.930 0.558 CB 1.419 44 residues pruned to eliminate duplicates Z: 17 12.249 1.729 0.265 0.859 1.000 0.750 CB 1.030 17 residues pruned to eliminate duplicates Z: 10 5.617 1.568 0.487 0.737 0.778 0.556 CB 0.835 10 residues pruned to eliminate duplicates Z: 6 8.135 1.395 0.807 0.828 1.000 0.800 O 1.086 6 residues pruned to eliminate duplicates Z: 7 13.046 2.032 0.708 0.852 1.000 0.667 CA 1.135 7 residues pruned to eliminate duplicates Z: 64 40.110 2.101 0.684 0.587 0.952 0.603 CB 1.380 64 residues pruned to eliminate duplicates Z: 10 11.735 1.736 0.298 0.878 1.000 0.556 CB 1.260 10 residues pruned to eliminate duplicates Z: 10 13.684 1.799 0.841 0.848 1.000 1.000 CB 1.022 10 residues pruned to eliminate duplicates Z: 17 18.519 1.784 0.569 0.936 1.000 0.750 CB 1.152 17 residues pruned to eliminate duplicates Z: 9 9.295 1.825 0.408 0.766 0.875 0.750 CB 1.155 9 residues pruned to eliminate duplicates Z: 24 18.663 2.033 0.487 0.663 0.870 0.565 CB 1.273 24 residues pruned to eliminate duplicates Z: 9 14.012 2.054 0.811 0.685 0.875 0.375 CB 1.284 9 residues pruned to eliminate duplicates Z: 107 51.913 2.111 0.682 0.575 0.962 0.575 CB 1.373 107 residues pruned to eliminate duplicates Z: 7 6.073 1.533 0.300 0.769 1.000 0.667 CB 0.980 Z: 17 14.471 1.778 0.442 0.899 0.938 0.562 CB 1.076 17 residues pruned to eliminate duplicates Z: 9 14.882 1.953 0.549 0.901 1.000 1.000 CB 1.242 9 residues pruned to eliminate duplicates Z: 10 7.664 1.648 0.262 0.869 1.000 0.333 CB 0.897 10 residues pruned to eliminate duplicates Z: 110 46.906 2.090 0.604 0.538 0.963 0.596 CB 1.340 110 residues pruned to eliminate duplicates Z: 8 11.090 1.900 0.713 0.906 1.000 0.714 CB 0.916 8 residues pruned to eliminate duplicates Z: 10 17.377 1.949 0.366 0.911 1.000 0.889 CB 1.541 10 residues pruned to eliminate duplicates Z: 11 11.204 2.034 0.431 0.827 0.900 0.500 CB 1.020 11 residues pruned to eliminate duplicates Z: 11 4.979 1.488 0.366 0.510 0.900 0.600 CB 0.852 11 residues pruned to eliminate duplicates Z: 40 31.776 2.159 0.759 0.488 0.949 0.487 CA 1.429 40 residues pruned to eliminate duplicates Z: 17 19.635 1.874 0.637 0.911 1.000 0.625 CB 1.134 17 residues pruned to eliminate duplicates Z: 108 42.313 2.017 0.578 0.542 0.907 0.607 CB 1.361 108 residues pruned to eliminate duplicates Z: 51 28.395 2.108 0.561 0.522 0.900 0.580 CB 1.327 51 residues pruned to eliminate duplicates Z: 10 12.871 1.996 0.358 0.772 0.778 0.444 CB 1.601 10 residues pruned to eliminate duplicates Z: 17 18.824 1.787 0.636 0.897 1.000 0.875 CB 1.152 17 residues pruned to eliminate duplicates Z: 28 21.400 1.874 0.645 0.637 0.889 0.481 CB 1.322 38 residues pruned to eliminate duplicates 6 0.972 1.475 0.123 0.280 0.800 0.600 CB 0.421 ? Z: 12 13.909 1.817 0.663 0.614 1.000 0.636 CB 1.246 12 residues pruned to eliminate duplicates Z: 8 2.302 1.501 0.559 0.305 0.857 0.714 CB 0.539 8 residues pruned to eliminate duplicates Z: 19 21.826 2.075 0.454 0.861 0.889 0.889 CB 1.409 19 residues pruned to eliminate duplicates Z: 7 11.760 1.804 0.856 0.835 0.833 0.667 CB 1.289 7 residues pruned to eliminate duplicates Z: 17 16.148 1.782 0.410 0.889 0.938 0.875 CB 1.235 17 residues pruned to eliminate duplicates Z: 71 39.709 2.102 0.765 0.544 0.943 0.614 CB 1.300 71 residues pruned to eliminate duplicates Z: 48 36.062 2.094 0.681 0.582 0.957 0.617 CB 1.442 48 residues pruned to eliminate duplicates Z: 19 19.203 2.183 0.544 0.698 0.944 0.667 CB 1.188 18 residues pruned to eliminate duplicates Z: 69 36.922 2.113 0.611 0.539 0.941 0.603 CB 1.344 69 residues pruned to eliminate duplicates Z: 8 8.577 2.034 0.105 0.761 0.857 0.286 CB 1.334 8 residues pruned to eliminate duplicates Z: 18 20.116 1.883 0.532 0.909 1.000 0.706 CB 1.200 18 residues pruned to eliminate duplicates Z: 46 38.617 2.162 0.727 0.544 1.000 0.578 CB 1.477 46 residues pruned to eliminate duplicates Z: 18 17.193 2.094 0.310 0.483 1.000 0.471 CA 1.546 18 residues pruned to eliminate duplicates Z: 27 25.000 2.168 0.720 0.522 0.885 0.500 CB 1.454 27 residues pruned to eliminate duplicates Z: 15 8.777 1.772 0.253 0.671 0.857 0.571 CB 1.052 15 residues pruned to eliminate duplicates Z: 6 6.282 1.720 0.102 0.877 0.800 0.600 CA 1.346 6 residues pruned to eliminate duplicates Z: 16 22.267 1.990 0.931 0.917 0.933 0.667 CB 1.131 16 residues pruned to eliminate duplicates Z: 7 7.349 1.875 0.285 0.727 1.000 0.667 CB 1.015 7 residues pruned to eliminate duplicates Z: 6 4.343 1.825 0.032 0.661 0.800 0.400 CB 1.110 6 residues pruned to eliminate duplicates Z: 25 15.670 1.983 0.349 0.631 0.792 0.583 CB 1.336 25 residues pruned to eliminate duplicates Z: 16 14.037 2.033 0.025 0.925 1.000 0.933 CB 1.221 16 residues pruned to eliminate duplicates Z: 18 37.530 2.177 1.092 0.904 0.941 0.529 CB 1.513 18 residues pruned to eliminate duplicates Z: 56 36.288 2.078 0.639 0.601 1.000 0.636 CB 1.304 56 residues pruned to eliminate duplicates Z: 12 14.300 2.072 0.405 0.926 1.000 0.818 CB 1.039 12 residues pruned to eliminate duplicates Z: 22 13.805 1.977 0.558 0.522 0.857 0.571 CB 1.116 22 residues pruned to eliminate duplicates Z: 17 21.371 1.996 0.630 0.882 1.000 0.750 CB 1.188 17 residues pruned to eliminate duplicates Z: 18 17.157 1.849 0.308 0.881 1.000 0.824 CB 1.246 18 residues pruned to eliminate duplicates Z: 18 20.542 1.876 0.659 0.913 1.000 0.706 CB 1.133 18 residues pruned to eliminate duplicates Z: 14 16.505 1.833 0.682 0.692 0.923 0.923 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 16.485 1.891 0.442 0.889 1.000 0.556 CA 1.451 10 residues pruned to eliminate duplicates Z: 39 23.692 2.009 0.576 0.609 0.947 0.684 CB 1.156 39 residues pruned to eliminate duplicates Z: 9 9.740 1.749 0.292 0.861 1.000 0.750 CB 1.120 9 residues pruned to eliminate duplicates Z: 7 10.129 1.742 0.447 0.871 1.000 0.333 CA 1.196 7 residues pruned to eliminate duplicates Z: 11 10.686 1.729 0.577 0.764 1.000 0.700 CA 0.981 11 residues pruned to eliminate duplicates Z: 71 41.005 2.125 0.770 0.516 0.943 0.614 CB 1.361 71 residues pruned to eliminate duplicates Z: 7 4.390 1.769 0.086 0.828 1.000 0.833 CB 0.703 Z: 14 21.781 1.884 0.946 0.677 1.000 0.615 CA 1.400 14 residues pruned to eliminate duplicates Z: 122 51.168 2.082 0.648 0.572 0.942 0.595 CB 1.343 122 residues pruned to eliminate duplicates Z: 8 9.601 2.058 0.318 0.707 1.000 0.714 CB 1.108 8 residues pruned to eliminate duplicates Z: 106 53.709 2.114 0.735 0.565 0.971 0.590 CB 1.381 106 residues pruned to eliminate duplicates Z: 7 5.756 1.806 -0.002 0.796 0.833 0.833 CA 1.208 7 residues pruned to eliminate duplicates Z: 6 4.340 1.644 0.086 0.647 0.800 0.600 CB 1.185 6 residues pruned to eliminate duplicates Z: 9 16.648 2.114 1.032 0.819 1.000 0.750 CB 1.039 9 residues pruned to eliminate duplicates Z: 12 8.598 1.710 0.214 0.843 0.909 0.636 CB 1.022 12 residues pruned to eliminate duplicates Z: 6 8.753 1.854 0.535 0.699 0.800 0.600 CB 1.434 6 residues pruned to eliminate duplicates Z: 26 17.833 1.949 0.548 0.608 0.880 0.600 CB 1.212 26 residues pruned to eliminate duplicates Z: 11 9.698 1.856 0.445 0.735 1.000 0.600 CB 0.926 11 residues pruned to eliminate duplicates Z: 9 10.560 1.707 0.409 0.629 1.000 0.750 CB 1.374 9 residues pruned to eliminate duplicates Z: 9 8.845 1.879 0.704 0.739 0.750 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 23 14.245 1.878 0.413 0.454 0.955 0.636 CB 1.257 23 residues pruned to eliminate duplicates Z: 6 3.321 1.621 0.282 0.650 0.800 0.800 CA 0.777 Z: 24 22.591 2.086 0.697 0.571 0.957 0.522 CB 1.298 24 residues pruned to eliminate duplicates Z: 8 12.417 1.879 0.590 0.870 1.000 0.571 CB 1.147 8 residues pruned to eliminate duplicates Z: 67 46.581 2.147 0.810 0.629 0.939 0.576 CB 1.391 66 residues pruned to eliminate duplicates Z: 16 15.288 2.023 0.318 0.858 0.933 0.733 CB 1.167 16 residues pruned to eliminate duplicates Z: 24 28.542 2.171 0.690 0.671 1.000 0.783 CA 1.386 24 residues pruned to eliminate duplicates Z: 12 14.886 1.880 0.314 0.878 1.000 0.818 CB 1.319 12 residues pruned to eliminate duplicates Z: 28 16.131 1.932 0.526 0.487 0.926 0.593 CB 1.153 28 residues pruned to eliminate duplicates Z: 31 30.731 2.175 0.839 0.525 0.967 0.600 CB 1.415 31 residues pruned to eliminate duplicates Z: 8 4.416 1.661 0.163 0.414 0.857 0.571 CB 1.103 Z: 8 10.794 2.153 0.545 0.787 0.857 0.429 CB 1.113 8 residues pruned to eliminate duplicates Z: 14 8.269 1.485 0.492 0.705 0.846 0.615 CB 1.015 14 residues pruned to eliminate duplicates Z: 13 17.088 2.011 0.360 0.609 1.000 0.833 CB 1.626 13 residues pruned to eliminate duplicates Z: 18 17.080 1.804 0.567 0.893 1.000 0.647 CB 1.052 18 residues pruned to eliminate duplicates Z: 53 35.103 2.080 0.591 0.585 0.962 0.673 CB 1.409 53 residues pruned to eliminate duplicates Z: 10 14.198 1.869 0.629 0.768 1.000 0.778 CB 1.226 10 residues pruned to eliminate duplicates Z: 9 15.963 2.001 0.690 0.721 1.000 0.625 CA 1.367 9 residues pruned to eliminate duplicates Z: 17 18.719 1.697 0.724 0.935 1.000 0.750 CB 1.115 17 residues pruned to eliminate duplicates Z: 6 6.172 1.897 0.493 0.684 1.000 0.400 CB 0.823 6 residues pruned to eliminate duplicates Z: 109 50.175 2.105 0.641 0.566 0.954 0.620 CB 1.375 109 residues pruned to eliminate duplicates Z: 38 28.084 2.100 0.690 0.485 0.946 0.514 CB 1.397 38 residues pruned to eliminate duplicates Z: 10 12.091 1.989 0.627 0.744 0.778 0.667 CA 1.287 10 residues pruned to eliminate duplicates Z: 6 8.128 1.804 1.001 0.656 0.800 0.800 CA 1.089 6 residues pruned to eliminate duplicates Z: 6 10.896 2.055 0.662 0.429 1.000 0.400 CB 1.535 6 residues pruned to eliminate duplicates Z: 11 11.021 2.108 0.336 0.530 0.900 0.500 CB 1.335 11 residues pruned to eliminate duplicates 6 1.737 1.581 0.029 0.508 0.800 0.600 CB 0.592 ? Z: 8 7.841 1.746 0.444 0.648 0.857 0.714 CB 1.195 7 residues pruned to eliminate duplicates Z: 27 29.622 2.053 0.812 0.748 0.923 0.731 CB 1.355 27 residues pruned to eliminate duplicates Z: 31 32.341 2.221 0.785 0.573 0.967 0.667 CA 1.436 31 residues pruned to eliminate duplicates Z: 44 27.778 2.090 0.520 0.511 0.930 0.721 CB 1.418 44 residues pruned to eliminate duplicates Z: 25 38.763 2.059 1.018 0.793 1.000 0.542 CB 1.472 25 residues pruned to eliminate duplicates Z: 12 4.196 1.407 0.238 0.372 0.818 0.273 CB 1.018 Z: 8 12.116 1.958 0.482 0.893 1.000 1.000 CB 1.133 8 residues pruned to eliminate duplicates Z: 97 38.767 2.064 0.538 0.540 0.906 0.573 CB 1.322 97 residues pruned to eliminate duplicates Z: 16 14.916 2.029 0.426 0.797 0.933 0.667 CB 1.099 16 residues pruned to eliminate duplicates Z: 9 11.498 1.980 0.570 0.594 1.000 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 18 22.373 1.895 0.701 0.907 1.000 0.706 CB 1.196 19 residues pruned to eliminate duplicates Z: 9 7.965 1.737 0.355 0.644 0.875 0.625 CB 1.195 9 residues pruned to eliminate duplicates Z: 13 21.353 1.865 0.892 0.930 1.000 0.833 CB 1.222 13 residues pruned to eliminate duplicates Z: 19 29.150 2.086 0.805 0.926 0.944 0.667 CB 1.355 19 residues pruned to eliminate duplicates Z: 9 4.330 1.600 0.120 0.331 0.875 0.500 CB 1.174 Z: 9 2.368 1.471 0.059 0.230 0.750 0.375 CB 0.982 9 residues pruned to eliminate duplicates Z: 21 25.393 1.997 0.299 0.924 1.000 0.950 CB 1.537 21 residues pruned to eliminate duplicates Z: 23 12.828 1.849 0.381 0.478 0.818 0.500 CB 1.338 23 residues pruned to eliminate duplicates Z: 37 21.381 2.032 0.481 0.719 0.889 0.722 CB 1.092 37 residues pruned to eliminate duplicates Z: 18 19.317 1.871 0.481 0.914 1.000 0.882 CB 1.196 18 residues pruned to eliminate duplicates Z: 8 15.648 1.993 0.570 0.788 1.000 0.857 CB 1.468 8 residues pruned to eliminate duplicates Z: 12 10.127 1.613 0.346 0.863 1.000 0.636 CB 1.032 11 residues pruned to eliminate duplicates Z: 11 6.800 1.662 0.443 0.792 0.700 0.400 CB 0.992 11 residues pruned to eliminate duplicates Z: 29 25.729 2.026 0.730 0.529 1.000 0.714 CB 1.348 29 residues pruned to eliminate duplicates Z: 24 29.503 2.072 0.462 0.844 0.957 0.870 CA 1.580 24 residues pruned to eliminate duplicates Z: 15 21.323 2.078 0.459 0.884 1.000 0.929 CA 1.359 15 residues pruned to eliminate duplicates Z: 21 18.515 2.059 0.509 0.494 0.950 0.450 CA 1.412 21 residues pruned to eliminate duplicates Z: 10 20.750 1.951 0.985 0.883 1.000 0.889 CA 1.292 10 residues pruned to eliminate duplicates Z: 105 37.036 1.991 0.580 0.565 0.894 0.625 CB 1.212 105 residues pruned to eliminate duplicates Z: 6 7.652 1.821 0.394 0.742 1.000 0.600 CB 1.086 6 residues pruned to eliminate duplicates Z: 16 18.380 2.021 0.567 0.591 1.000 0.667 CA 1.373 16 residues pruned to eliminate duplicates Z: 119 48.839 2.100 0.540 0.574 0.958 0.602 CB 1.352 119 residues pruned to eliminate duplicates Z: 12 10.473 1.766 0.738 0.402 1.000 0.727 CA 1.140 12 residues pruned to eliminate duplicates Z: 20 15.071 1.951 0.597 0.535 0.947 0.684 CB 1.131 20 residues pruned to eliminate duplicates Z: 8 4.563 1.855 0.490 0.692 1.000 0.714 CB 0.524 8 residues pruned to eliminate duplicates Z: 23 20.868 2.127 0.688 0.527 1.000 0.636 CB 1.207 23 residues pruned to eliminate duplicates Z: 50 27.004 2.018 0.493 0.539 0.918 0.510 CB 1.343 50 residues pruned to eliminate duplicates Z: 17 10.803 1.887 0.457 0.541 0.812 0.625 CB 1.161 17 residues pruned to eliminate duplicates Z: 28 13.549 1.820 0.377 0.391 1.000 0.444 CB 1.168 28 residues pruned to eliminate duplicates Z: 10 8.220 1.881 0.530 0.659 0.889 0.444 CB 0.924 10 residues pruned to eliminate duplicates Z: 16 14.144 1.813 0.189 0.906 1.000 0.933 CB 1.206 16 residues pruned to eliminate duplicates Z: 44 26.209 1.983 0.595 0.527 0.953 0.651 CB 1.290 44 residues pruned to eliminate duplicates Z: 10 9.115 2.025 0.539 0.807 0.778 0.667 CB 0.959 10 residues pruned to eliminate duplicates Z: 6 2.013 1.360 -0.135 0.440 0.800 0.600 O 1.018 Z: 7 7.540 1.781 0.403 0.834 0.833 0.667 CA 1.108 7 residues pruned to eliminate duplicates Z: 9 7.188 1.596 0.517 0.854 1.000 0.625 CB 0.776 9 residues pruned to eliminate duplicates Z: 6 4.582 1.617 0.118 0.687 0.800 0.600 N 1.193 6 residues pruned to eliminate duplicates Z: 6 2.110 1.141 0.155 0.632 0.800 0.800 O 0.790 Z: 16 18.492 1.787 0.610 0.917 1.000 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 55 25.225 2.030 0.479 0.498 0.870 0.667 CB 1.317 55 residues pruned to eliminate duplicates Z: 71 32.462 2.006 0.625 0.525 0.914 0.600 CB 1.270 71 residues pruned to eliminate duplicates Z: 18 19.203 2.016 0.203 0.898 0.941 0.882 CB 1.460 18 residues pruned to eliminate duplicates Z: 10 19.726 1.940 0.558 0.912 1.000 0.667 CA 1.541 10 residues pruned to eliminate duplicates Z: 16 10.378 1.789 0.696 0.402 0.933 0.533 CB 1.049 16 residues pruned to eliminate duplicates Z: 73 34.880 2.018 0.675 0.562 0.944 0.528 CB 1.213 73 residues pruned to eliminate duplicates Z: 106 47.708 2.128 0.575 0.573 0.952 0.571 CB 1.360 106 residues pruned to eliminate duplicates Z: 11 6.256 1.661 0.436 0.419 0.800 0.600 CB 1.127 11 residues pruned to eliminate duplicates Z: 20 14.655 1.949 0.435 0.472 0.895 0.579 CB 1.382 22 residues pruned to eliminate duplicates Z: 7 7.932 1.682 0.113 0.838 1.000 0.833 CA 1.293 7 residues pruned to eliminate duplicates Z: 11 15.567 1.786 0.386 0.835 1.000 0.800 CA 1.490 11 residues pruned to eliminate duplicates Z: 9 10.701 1.810 0.679 0.644 0.875 0.625 CA 1.244 9 residues pruned to eliminate duplicates Z: 108 50.568 2.113 0.658 0.564 0.944 0.636 CB 1.389 108 residues pruned to eliminate duplicates Z: 6 7.089 1.829 0.333 0.818 1.000 0.600 CB 0.987 6 residues pruned to eliminate duplicates Z: 8 3.912 1.694 0.356 0.478 1.000 0.571 CB 0.658 5 residues pruned to eliminate duplicates Z: 8 3.508 1.301 0.457 0.354 0.714 0.429 O 1.146 Z: 31 24.511 2.110 0.682 0.548 0.967 0.700 CB 1.245 31 residues pruned to eliminate duplicates Z: 45 28.084 2.090 0.579 0.479 0.909 0.455 CB 1.442 45 residues pruned to eliminate duplicates Z: 54 28.396 2.020 0.493 0.480 0.943 0.604 CB 1.399 54 residues pruned to eliminate duplicates Z: 65 36.425 2.049 0.619 0.599 0.922 0.609 CB 1.355 65 residues pruned to eliminate duplicates Z: 8 5.829 1.987 0.116 0.758 0.857 0.571 CB 0.922 8 residues pruned to eliminate duplicates Z: 10 9.577 1.793 0.362 0.797 0.889 0.778 CB 1.133 10 residues pruned to eliminate duplicates Z: 21 30.926 2.025 0.568 0.937 1.000 0.800 CB 1.515 21 residues pruned to eliminate duplicates Z: 35 34.085 2.119 0.593 0.721 0.941 0.824 CA 1.507 35 residues pruned to eliminate duplicates Z: 60 31.487 2.092 0.573 0.514 0.864 0.576 CB 1.421 60 residues pruned to eliminate duplicates Z: 19 29.084 2.113 0.547 0.931 1.000 0.944 CB 1.466 19 residues pruned to eliminate duplicates Z: 40 32.878 2.194 0.811 0.506 0.923 0.667 CB 1.427 40 residues pruned to eliminate duplicates Z: 14 12.668 1.891 0.385 0.784 0.923 0.462 CB 1.132 14 residues pruned to eliminate duplicates Z: 8 13.220 2.116 0.349 0.909 1.000 1.000 CA 1.243 8 residues pruned to eliminate duplicates Z: 24 30.145 2.109 0.867 0.629 1.000 0.652 CA 1.414 26 residues pruned to eliminate duplicates Z: 70 36.194 2.039 0.605 0.579 0.971 0.580 CB 1.270 70 residues pruned to eliminate duplicates Z: 82 34.784 2.042 0.555 0.560 0.901 0.605 CB 1.274 82 residues pruned to eliminate duplicates Z: 12 12.397 1.582 0.410 0.877 1.000 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 36 32.401 2.007 0.789 0.718 0.886 0.629 CB 1.414 35 residues pruned to eliminate duplicates Z: 9 9.606 1.796 0.441 0.785 0.875 0.500 CA 1.168 9 residues pruned to eliminate duplicates Z: 51 31.981 2.077 0.613 0.596 0.940 0.700 CB 1.311 51 residues pruned to eliminate duplicates Z: 7 5.911 1.430 0.494 0.826 1.000 0.667 CB 0.851 Z: 20 25.235 1.981 0.469 0.903 1.000 0.789 CB 1.418 20 residues pruned to eliminate duplicates Z: 16 10.591 1.762 0.466 0.778 0.733 0.600 CB 1.130 16 residues pruned to eliminate duplicates Z: 24 23.733 2.101 0.882 0.587 1.000 0.696 CB 1.151 24 residues pruned to eliminate duplicates Z: 6 3.735 1.391 -0.112 0.774 1.000 1.000 C 1.062 4 residues pruned to eliminate duplicates Z: 37 27.554 2.039 0.666 0.662 0.972 0.750 CB 1.196 37 residues pruned to eliminate duplicates Z: 44 37.061 2.193 0.706 0.519 0.977 0.465 CB 1.517 44 residues pruned to eliminate duplicates Z: 13 12.141 1.783 0.606 0.595 0.917 0.583 CB 1.219 13 residues pruned to eliminate duplicates Z: 15 5.810 1.652 0.407 0.259 0.714 0.429 CA 1.232 15 residues pruned to eliminate duplicates 6 1.629 1.169 0.612 0.300 0.600 0.400 N 0.806 ? Z: 7 10.467 1.797 0.512 0.567 1.000 0.667 CB 1.474 7 residues pruned to eliminate duplicates Z: 13 11.606 1.923 0.501 0.571 1.000 0.583 CB 1.084 13 residues pruned to eliminate duplicates Z: 13 10.555 1.913 0.605 0.769 0.917 0.500 CB 0.853 13 residues pruned to eliminate duplicates Z: 6 5.984 1.606 0.648 0.650 1.000 0.800 CA 0.879 6 residues pruned to eliminate duplicates Z: 14 9.785 1.966 0.153 0.471 0.846 0.692 CB 1.457 14 residues pruned to eliminate duplicates Z: 12 8.893 1.865 0.477 0.380 0.909 0.273 CB 1.217 12 residues pruned to eliminate duplicates Z: 25 38.781 2.068 0.897 0.822 1.000 0.792 CB 1.526 25 residues pruned to eliminate duplicates Z: 17 18.567 1.806 0.723 0.852 0.938 0.625 CB 1.177 17 residues pruned to eliminate duplicates Z: 14 18.856 1.817 0.944 0.608 0.923 0.538 CB 1.448 14 residues pruned to eliminate duplicates Z: 17 25.223 2.163 0.768 0.608 1.000 0.688 CA 1.488 17 residues pruned to eliminate duplicates Z: 10 7.887 1.931 0.141 0.740 0.889 0.444 CB 1.082 10 residues pruned to eliminate duplicates Z: 9 7.420 1.705 0.222 0.796 0.875 0.625 CA 1.111 9 residues pruned to eliminate duplicates Z: 52 30.625 2.122 0.592 0.560 0.922 0.569 CB 1.299 52 residues pruned to eliminate duplicates Z: 7 3.979 1.446 0.285 0.587 0.833 0.500 CB 0.965 4 residues pruned to eliminate duplicates Z: 6 2.769 1.471 -0.091 0.680 0.800 0.800 CB 0.981 Z: 19 19.521 2.195 0.645 0.442 1.000 0.556 CB 1.354 19 residues pruned to eliminate duplicates Z: 19 19.038 1.799 0.602 0.892 1.000 0.611 CB 1.118 19 residues pruned to eliminate duplicates Z: 10 7.824 1.715 0.425 0.668 0.889 0.444 CB 1.029 10 residues pruned to eliminate duplicates Z: 10 3.518 1.384 0.524 0.358 0.889 0.556 CB 0.729 Z: 10 11.590 1.997 0.282 0.837 1.000 0.556 CB 1.129 10 residues pruned to eliminate duplicates Z: 28 19.572 1.974 0.559 0.466 0.889 0.481 CB 1.425 28 residues pruned to eliminate duplicates Z: 9 9.495 1.901 0.418 0.799 1.000 0.625 CB 0.958 9 residues pruned to eliminate duplicates Z: 12 8.888 1.815 0.038 0.809 0.909 0.545 CB 1.195 12 residues pruned to eliminate duplicates Z: 51 30.684 2.075 0.563 0.526 0.980 0.720 CB 1.330 51 residues pruned to eliminate duplicates Z: 9 13.299 2.112 0.279 0.861 0.875 0.375 CB 1.462 9 residues pruned to eliminate duplicates Z: 9 8.651 1.861 0.186 0.784 1.000 0.750 CB 1.079 9 residues pruned to eliminate duplicates Z: 63 38.419 2.062 0.665 0.632 1.000 0.661 CB 1.255 63 residues pruned to eliminate duplicates Z: 12 9.189 1.671 0.641 0.778 0.909 0.455 CB 0.870 12 residues pruned to eliminate duplicates Z: 12 10.868 1.782 0.366 0.865 0.909 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 13 6.046 1.710 0.439 0.722 0.667 0.250 CB 0.870 13 residues pruned to eliminate duplicates Z: 38 21.367 2.029 0.641 0.456 0.919 0.486 CB 1.201 38 residues pruned to eliminate duplicates Z: 14 17.855 1.909 0.820 0.655 0.923 0.769 CA 1.336 14 residues pruned to eliminate duplicates Z: 8 8.075 1.935 0.122 0.892 1.000 1.000 CB 1.010 8 residues pruned to eliminate duplicates Z: 114 47.858 2.057 0.685 0.545 0.956 0.575 CB 1.300 114 residues pruned to eliminate duplicates Z: 35 27.891 2.152 0.668 0.494 0.941 0.588 CB 1.424 35 residues pruned to eliminate duplicates Z: 91 36.311 2.003 0.541 0.585 0.911 0.622 CB 1.254 91 residues pruned to eliminate duplicates Z: 9 18.359 2.013 1.058 0.834 1.000 0.875 CB 1.174 15 residues pruned to eliminate duplicates Z: 10 5.917 1.575 0.494 0.510 0.889 0.667 CB 0.933 6 residues pruned to eliminate duplicates Z: 10 6.926 1.519 0.362 0.592 1.000 0.778 CB 1.021 9 residues pruned to eliminate duplicates Z: 9 20.619 1.961 0.949 0.874 1.000 1.000 CB 1.388 9 residues pruned to eliminate duplicates Z: 16 17.277 2.059 0.433 0.586 0.933 0.667 CB 1.490 16 residues pruned to eliminate duplicates Z: 15 13.045 1.854 0.298 0.670 0.857 0.571 CB 1.445 15 residues pruned to eliminate duplicates Z: 101 49.174 2.117 0.717 0.557 0.960 0.630 CB 1.334 101 residues pruned to eliminate duplicates Z: 17 21.905 1.892 0.911 0.917 1.000 0.750 CB 1.069 17 residues pruned to eliminate duplicates Z: 12 12.250 2.011 0.362 0.604 1.000 0.818 CB 1.222 12 residues pruned to eliminate duplicates Z: 7 5.022 1.703 0.196 0.663 1.000 1.000 CA 0.865 7 residues pruned to eliminate duplicates Z: 9 15.576 2.072 0.435 0.860 1.000 1.000 CA 1.362 9 residues pruned to eliminate duplicates Z: 10 9.742 1.754 0.347 0.859 0.889 0.222 CB 1.138 10 residues pruned to eliminate duplicates Z: 7 2.714 1.566 0.134 0.449 0.833 0.500 CB 0.790 6 residues pruned to eliminate duplicates Z: 18 20.352 1.871 0.589 0.904 1.000 0.941 CB 1.183 18 residues pruned to eliminate duplicates Z: 8 3.761 1.597 0.005 0.517 0.857 0.714 CB 1.016 8 residues pruned to eliminate duplicates Z: 7 8.670 1.876 0.736 0.643 0.833 0.833 CB 1.142 7 residues pruned to eliminate duplicates Z: 17 12.227 1.919 0.333 0.536 0.938 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 11 18.521 2.038 0.772 0.684 1.000 0.600 CB 1.370 12 residues pruned to eliminate duplicates Z: 17 17.252 1.776 0.481 0.918 1.000 0.562 CB 1.157 17 residues pruned to eliminate duplicates Z: 17 19.276 2.120 0.810 0.563 0.875 0.625 CA 1.350 17 residues pruned to eliminate duplicates Z: 17 17.370 1.813 0.485 0.910 1.000 0.750 CB 1.144 17 residues pruned to eliminate duplicates Z: 17 19.929 1.814 0.672 0.897 1.000 0.625 CB 1.176 17 residues pruned to eliminate duplicates Z: 9 9.620 2.050 0.057 0.663 1.000 0.750 CA 1.350 9 residues pruned to eliminate duplicates Z: 41 29.956 2.165 0.666 0.490 0.925 0.600 CA 1.434 41 residues pruned to eliminate duplicates Z: 6 3.787 1.620 0.125 0.635 0.800 0.600 CB 1.024 7 residues pruned to eliminate duplicates 6 1.647 1.307 0.520 0.299 0.600 0.600 N 0.773 ? Z: 18 38.313 2.132 0.987 0.941 1.000 0.235 CB 1.522 18 residues pruned to eliminate duplicates Z: 21 29.975 2.066 0.549 0.916 0.950 0.850 CB 1.556 21 residues pruned to eliminate duplicates Z: 25 20.658 1.946 0.723 0.554 1.000 0.458 CB 1.193 25 residues pruned to eliminate duplicates Z: 11 8.705 1.995 0.237 0.479 0.900 0.400 CB 1.266 11 residues pruned to eliminate duplicates Z: 6 6.627 1.530 0.685 0.822 0.800 0.400 CB 1.087 6 residues pruned to eliminate duplicates Z: 8 8.320 1.941 0.379 0.377 0.857 0.857 CA 1.563 8 residues pruned to eliminate duplicates Z: 13 16.610 1.805 0.518 0.690 1.000 0.750 CB 1.470 13 residues pruned to eliminate duplicates Z: 6 5.790 1.792 0.246 0.444 1.000 0.400 CB 1.229 6 residues pruned to eliminate duplicates Z: 23 21.722 2.126 0.631 0.561 0.955 0.727 CB 1.319 24 residues pruned to eliminate duplicates Z: 6 4.804 1.570 0.524 0.479 0.800 0.400 CA 1.146 6 residues pruned to eliminate duplicates Z: 9 12.375 2.051 0.383 0.624 1.000 0.625 CA 1.372 9 residues pruned to eliminate duplicates Z: 19 16.735 1.782 0.482 0.899 1.000 0.889 CB 1.068 19 residues pruned to eliminate duplicates Z: 15 18.862 1.966 0.707 0.629 0.929 0.714 CB 1.433 12 residues pruned to eliminate duplicates Z: 13 17.808 2.105 0.891 0.656 0.917 0.750 CB 1.219 12 residues pruned to eliminate duplicates Z: 49 31.686 2.126 0.722 0.539 0.896 0.562 CB 1.343 49 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 13.449 1.956 0.542 0.571 1.000 0.667 CB 1.201 13 residues pruned to eliminate duplicates Z: 12 12.532 1.980 0.439 0.599 0.909 0.636 CB 1.328 12 residues pruned to eliminate duplicates Z: 6 4.360 1.456 0.578 0.402 0.800 0.200 C 1.176 Z: 6 5.339 2.045 0.405 0.316 0.800 0.400 CA 1.273 10 residues pruned to eliminate duplicates Z: 6 5.514 1.534 0.608 0.380 1.000 0.400 N 1.136 6 residues pruned to eliminate duplicates Z: 13 11.028 1.958 0.648 0.554 0.750 0.417 CB 1.248 13 residues pruned to eliminate duplicates Z: 14 12.194 1.927 0.570 0.511 0.923 0.615 CB 1.197 14 residues pruned to eliminate duplicates Z: 10 10.435 1.770 1.079 0.504 0.778 0.778 CA 1.211 10 residues pruned to eliminate duplicates Z: 6 3.253 1.586 0.212 0.413 1.000 0.600 CA 0.829 6 residues pruned to eliminate duplicates Z: 118 51.640 2.123 0.599 0.583 0.957 0.632 CB 1.356 118 residues pruned to eliminate duplicates Z: 119 52.507 2.112 0.650 0.562 0.958 0.593 CB 1.363 119 residues pruned to eliminate duplicates Z: 33 33.569 2.085 0.857 0.709 0.938 0.594 CB 1.352 33 residues pruned to eliminate duplicates Z: 11 8.640 1.963 0.561 0.543 0.800 0.600 CB 1.068 11 residues pruned to eliminate duplicates Z: 24 24.550 2.178 0.732 0.614 0.957 0.609 CB 1.274 24 residues pruned to eliminate duplicates Z: 6 4.545 1.774 0.680 0.295 1.000 0.400 CB 0.859 6 residues pruned to eliminate duplicates Z: 24 21.714 2.175 0.728 0.558 0.957 0.652 CB 1.190 24 residues pruned to eliminate duplicates Z: 24 9.721 1.831 0.307 0.279 0.870 0.348 CB 1.250 24 residues pruned to eliminate duplicates Z: 7 4.849 1.375 0.989 0.440 0.833 0.500 C 0.924 7 residues pruned to eliminate duplicates Z: 25 19.977 2.093 0.699 0.481 0.875 0.500 CB 1.336 25 residues pruned to eliminate duplicates Z: 24 19.886 2.156 0.638 0.546 0.957 0.696 CB 1.174 24 residues pruned to eliminate duplicates Z: 25 21.879 2.127 0.795 0.549 0.958 0.583 CB 1.164 25 residues pruned to eliminate duplicates Z: 6 3.409 1.736 0.238 0.388 0.800 0.400 CA 0.999 6 residues pruned to eliminate duplicates Z: 23 21.923 2.157 0.621 0.513 1.000 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 24 22.948 2.169 0.755 0.570 1.000 0.739 CB 1.175 24 residues pruned to eliminate duplicates Z: 45 32.177 2.118 0.631 0.517 0.955 0.568 CA 1.447 45 residues pruned to eliminate duplicates Z: 44 31.968 2.136 0.563 0.505 0.977 0.581 CB 1.488 44 residues pruned to eliminate duplicates Z: 46 31.699 2.104 0.689 0.527 0.911 0.578 CB 1.421 46 residues pruned to eliminate duplicates Z: 45 32.506 2.099 0.609 0.514 0.977 0.614 CA 1.464 45 residues pruned to eliminate duplicates Z: 12 10.221 1.904 0.466 0.561 0.818 0.455 CB 1.273 10 residues pruned to eliminate duplicates Z: 6 12.262 1.869 0.722 0.835 1.000 0.600 CB 1.277 6 residues pruned to eliminate duplicates Z: 16 14.752 1.722 0.673 0.807 0.933 0.533 CB 1.084 16 residues pruned to eliminate duplicates Z: 14 12.562 1.927 0.593 0.746 0.846 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 12 14.025 1.953 0.674 0.708 1.000 0.455 CB 1.070 12 residues pruned to eliminate duplicates Z: 15 16.278 1.843 0.737 0.777 1.000 0.429 CB 1.064 15 residues pruned to eliminate duplicates Z: 11 9.730 1.989 0.444 0.645 0.800 0.400 CB 1.170 11 residues pruned to eliminate duplicates Z: 19 11.588 1.785 0.655 0.478 0.778 0.500 CB 1.215 19 residues pruned to eliminate duplicates Z: 17 17.997 1.786 0.776 0.626 0.875 0.562 CA 1.440 17 residues pruned to eliminate duplicates Z: 13 14.398 1.742 0.923 0.580 0.833 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 29 15.642 1.839 0.574 0.543 0.821 0.464 CB 1.192 29 residues pruned to eliminate duplicates Z: 25 19.112 1.885 0.615 0.648 0.875 0.542 CB 1.276 24 residues pruned to eliminate duplicates Z: 6 2.517 1.532 0.412 0.322 0.800 0.400 CA 0.791 6 residues pruned to eliminate duplicates Z: 137 59.752 2.114 0.614 0.604 0.956 0.662 CB 1.424 140 residues pruned to eliminate duplicates Z: 6 3.996 1.520 0.502 0.323 1.000 0.600 CA 0.951 6 residues pruned to eliminate duplicates Z: 15 15.963 1.706 0.837 0.634 1.000 0.857 CB 1.200 15 residues pruned to eliminate duplicates Z: 6 18.420 2.057 1.466 0.856 1.000 1.000 CA 1.198 7 residues pruned to eliminate duplicates Z: 8 4.114 1.475 0.473 0.521 0.857 0.429 CB 0.817 4 residues pruned to eliminate duplicates Z: 8 5.364 1.538 0.319 0.690 1.000 0.429 CB 0.840 7 residues pruned to eliminate duplicates Z: 7 8.477 1.753 0.478 0.689 1.000 0.667 CB 1.123 8 residues pruned to eliminate duplicates Z: 8 8.194 1.661 0.660 0.677 1.000 0.571 CB 0.954 7 residues pruned to eliminate duplicates Z: 6 10.927 1.831 0.703 0.774 1.000 0.800 CB 1.230 7 residues pruned to eliminate duplicates Z: 8 11.138 1.722 0.689 0.651 1.000 0.571 CA 1.257 8 residues pruned to eliminate duplicates Z: 8 11.527 1.674 0.823 0.720 1.000 0.857 CA 1.170 8 residues pruned to eliminate duplicates Z: 19 23.943 2.136 0.293 0.916 1.000 0.889 CB 1.443 19 residues pruned to eliminate duplicates Z: 149 54.047 2.072 0.566 0.602 0.932 0.615 CB 1.333 160 residues pruned to eliminate duplicates Z: 19 30.477 2.177 0.572 0.926 0.944 0.889 CB 1.558 19 residues pruned to eliminate duplicates Z: 44 36.225 1.962 0.807 0.707 0.977 0.674 CB 1.322 42 residues pruned to eliminate duplicates Z: 21 28.630 2.020 0.553 0.907 1.000 0.850 CB 1.451 21 residues pruned to eliminate duplicates Z: 24 29.486 2.085 0.685 0.786 0.957 0.826 CB 1.423 24 residues pruned to eliminate duplicates Z: 47 32.704 1.912 0.797 0.660 0.891 0.587 CB 1.358 47 residues pruned to eliminate duplicates Z: 107 49.764 2.054 0.697 0.616 0.906 0.575 CB 1.371 111 residues pruned to eliminate duplicates Z: 19 32.018 2.112 0.703 0.930 0.944 0.722 CB 1.554 19 residues pruned to eliminate duplicates Z: 140 60.406 2.115 0.632 0.620 0.957 0.626 CB 1.385 140 residues pruned to eliminate duplicates Z: 38 36.571 2.003 0.855 0.714 0.973 0.757 CB 1.369 38 residues pruned to eliminate duplicates Z: 35 32.823 2.055 0.793 0.709 0.941 0.647 CB 1.343 35 residues pruned to eliminate duplicates Z: 23 35.304 2.092 0.935 0.831 1.000 0.773 CB 1.398 23 residues pruned to eliminate duplicates Z: 23 33.171 2.065 0.883 0.836 0.909 0.591 CB 1.498 23 residues pruned to eliminate duplicates Z: 146 57.275 2.105 0.635 0.619 0.924 0.614 CB 1.336 146 residues pruned to eliminate duplicates Z: 25 25.191 2.025 0.663 0.748 0.917 0.500 CB 1.334 25 residues pruned to eliminate duplicates Z: 37 38.037 1.980 0.983 0.738 0.972 0.500 CB 1.342 37 residues pruned to eliminate duplicates Z: 37 34.947 1.981 0.839 0.727 0.917 0.583 CB 1.422 37 residues pruned to eliminate duplicates Z: 25 28.931 2.060 0.660 0.754 0.958 0.792 CB 1.438 25 residues pruned to eliminate duplicates Z: 25 25.773 1.993 0.650 0.761 0.917 0.833 CB 1.383 25 residues pruned to eliminate duplicates Z: 36 30.046 2.078 0.655 0.693 0.943 0.800 CB 1.312 36 residues pruned to eliminate duplicates Z: 28 30.154 2.043 0.802 0.724 0.963 0.704 CB 1.337 28 residues pruned to eliminate duplicates Z: 23 34.568 2.111 0.716 0.844 1.000 0.909 CB 1.513 23 residues pruned to eliminate duplicates Z: 24 31.420 2.140 0.640 0.797 0.957 0.826 CB 1.505 24 residues pruned to eliminate duplicates Z: 25 27.952 2.053 0.686 0.752 0.917 0.625 CB 1.436 25 residues pruned to eliminate duplicates Z: 24 36.664 2.115 0.883 0.804 1.000 0.652 CB 1.472 24 residues pruned to eliminate duplicates Z: 32 26.453 1.974 0.662 0.690 0.935 0.710 CB 1.301 32 residues pruned to eliminate duplicates Z: 24 36.069 2.114 0.829 0.801 1.000 0.783 CB 1.496 24 residues pruned to eliminate duplicates Z: 25 32.523 2.046 0.825 0.784 1.000 0.750 CB 1.385 25 residues pruned to eliminate duplicates Z: 24 33.763 2.099 0.812 0.805 1.000 0.783 CB 1.418 24 residues pruned to eliminate duplicates Z: 24 35.956 2.105 0.955 0.798 0.957 0.696 CB 1.466 24 residues pruned to eliminate duplicates Z: 21 34.318 2.119 0.854 0.902 0.900 0.700 CB 1.548 21 residues pruned to eliminate duplicates Z: 24 38.895 2.094 1.003 0.802 1.000 0.609 CB 1.486 24 residues pruned to eliminate duplicates Z: 25 32.992 2.035 0.841 0.790 1.000 0.625 CB 1.394 25 residues pruned to eliminate duplicates Z: 24 35.544 2.093 1.009 0.763 0.957 0.609 CB 1.459 24 residues pruned to eliminate duplicates Z: 23 37.270 2.102 1.039 0.794 0.955 0.682 CB 1.501 23 residues pruned to eliminate duplicates Z: 24 33.725 2.034 0.993 0.792 0.957 0.435 CB 1.404 24 residues pruned to eliminate duplicates Z: 143 60.430 2.115 0.698 0.610 0.951 0.620 CB 1.339 143 residues pruned to eliminate duplicates Z: 35 42.175 2.053 0.861 0.769 0.971 0.559 CB 1.537 47 residues pruned to eliminate duplicates Z: 15 17.483 2.130 0.509 0.821 0.857 0.429 CB 1.284 16 residues pruned to eliminate duplicates Z: 15 20.570 2.151 0.538 0.772 0.929 0.286 CB 1.407 15 residues pruned to eliminate duplicates Z: 27 23.512 2.034 0.607 0.659 0.923 0.615 CB 1.319 28 residues pruned to eliminate duplicates Z: 13 13.588 2.057 0.574 0.754 0.833 0.333 CB 1.159 13 residues pruned to eliminate duplicates Z: 20 15.062 2.003 0.628 0.607 0.789 0.421 CB 1.212 20 residues pruned to eliminate duplicates Z: 26 20.866 2.047 0.479 0.700 0.880 0.520 CB 1.305 27 residues pruned to eliminate duplicates Z: 15 15.290 2.119 0.446 0.769 0.857 0.429 CB 1.226 15 residues pruned to eliminate duplicates Z: 22 10.583 1.923 0.140 0.550 0.857 0.429 CB 1.170 22 residues pruned to eliminate duplicates Z: 28 19.577 2.001 0.508 0.611 0.889 0.481 CB 1.265 28 residues pruned to eliminate duplicates Z: 24 17.448 2.034 0.494 0.625 0.826 0.522 CB 1.288 24 residues pruned to eliminate duplicates Z: 21 17.714 2.073 0.451 0.669 0.900 0.500 CB 1.252 21 residues pruned to eliminate duplicates Z: 20 14.994 2.008 0.365 0.595 0.895 0.474 CB 1.281 20 residues pruned to eliminate duplicates Z: 26 20.667 2.087 0.319 0.687 0.960 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 23 18.426 1.982 0.326 0.709 0.955 0.500 CB 1.295 23 residues pruned to eliminate duplicates Z: 24 17.191 2.041 0.370 0.684 0.913 0.565 CB 1.186 24 residues pruned to eliminate duplicates Z: 13 12.273 1.807 0.556 0.531 0.917 0.500 CB 1.333 13 residues pruned to eliminate duplicates Z: 19 15.663 1.912 0.415 0.553 1.000 0.444 CB 1.295 19 residues pruned to eliminate duplicates Z: 26 19.586 1.930 0.641 0.555 0.920 0.440 CB 1.274 26 residues pruned to eliminate duplicates Z: 22 15.397 2.031 0.365 0.578 0.810 0.619 CB 1.389 22 residues pruned to eliminate duplicates Z: 11 22.025 2.068 1.001 0.667 1.000 0.500 CB 1.442 11 residues pruned to eliminate duplicates Z: 17 14.860 1.973 0.544 0.757 0.812 0.562 CB 1.194 17 residues pruned to eliminate duplicates Z: 27 24.057 2.097 0.552 0.698 0.885 0.577 CB 1.367 27 residues pruned to eliminate duplicates Z: 29 19.456 2.036 0.548 0.604 0.786 0.500 CB 1.345 29 residues pruned to eliminate duplicates Z: 26 23.650 2.112 0.651 0.654 0.880 0.560 CB 1.336 26 residues pruned to eliminate duplicates Z: 52 33.843 2.095 0.432 0.716 0.882 0.569 CB 1.472 52 residues pruned to eliminate duplicates Z: 20 14.770 2.062 0.260 0.592 0.895 0.421 CB 1.335 19 residues pruned to eliminate duplicates Z: 15 16.180 2.154 0.468 0.755 0.857 0.357 CB 1.271 15 residues pruned to eliminate duplicates Z: 29 21.695 2.032 0.534 0.633 0.893 0.500 CB 1.300 29 residues pruned to eliminate duplicates Z: 27 22.559 2.095 0.421 0.644 0.962 0.500 CB 1.352 27 residues pruned to eliminate duplicates Z: 9 13.197 2.227 0.256 0.822 1.000 0.750 CB 1.262 9 residues pruned to eliminate duplicates Z: 29 19.650 2.007 0.554 0.602 0.857 0.607 CB 1.261 29 residues pruned to eliminate duplicates Z: 15 13.258 1.858 0.475 0.780 0.857 0.643 CB 1.178 15 residues pruned to eliminate duplicates Z: 24 21.666 2.074 0.454 0.684 0.957 0.609 CB 1.323 24 residues pruned to eliminate duplicates Z: 27 26.010 2.092 0.639 0.660 0.923 0.577 CB 1.389 27 residues pruned to eliminate duplicates Z: 27 23.925 2.099 0.549 0.639 0.923 0.615 CB 1.372 27 residues pruned to eliminate duplicates Z: 28 22.594 2.065 0.515 0.671 0.889 0.593 CB 1.334 28 residues pruned to eliminate duplicates Z: 27 21.758 2.112 0.474 0.640 0.885 0.500 CB 1.359 27 residues pruned to eliminate duplicates Z: 24 21.180 2.073 0.452 0.656 0.913 0.609 CB 1.389 24 residues pruned to eliminate duplicates Z: 28 19.012 2.070 0.468 0.589 0.815 0.444 CB 1.357 28 residues pruned to eliminate duplicates Z: 27 22.781 2.079 0.436 0.645 1.000 0.615 CB 1.306 27 residues pruned to eliminate duplicates Z: 24 26.948 2.045 0.385 0.826 1.000 0.609 CB 1.497 24 residues pruned to eliminate duplicates Z: 30 30.888 2.047 0.639 0.705 0.931 0.862 CA 1.523 30 residues pruned to eliminate duplicates Z: 51 31.126 2.028 0.520 0.665 0.900 0.700 CB 1.362 51 residues pruned to eliminate duplicates Z: 54 34.120 2.053 0.436 0.701 0.943 0.623 CB 1.404 54 residues pruned to eliminate duplicates Z: 19 33.558 2.177 0.626 0.949 1.000 0.778 CA 1.543 19 residues pruned to eliminate duplicates Z: 35 30.656 2.035 0.689 0.682 0.912 0.765 CB 1.419 35 residues pruned to eliminate duplicates Z: 57 32.861 2.035 0.434 0.675 0.911 0.625 CB 1.407 57 residues pruned to eliminate duplicates Z: 25 35.934 2.151 0.763 0.773 0.958 0.667 CA 1.586 25 residues pruned to eliminate duplicates Z: 46 34.266 2.067 0.566 0.712 0.911 0.622 CB 1.429 46 residues pruned to eliminate duplicates Z: 35 33.568 2.132 0.654 0.679 0.941 0.647 CB 1.471 35 residues pruned to eliminate duplicates Z: 32 37.918 2.136 0.690 0.765 0.968 0.645 CB 1.541 32 residues pruned to eliminate duplicates Z: 34 36.430 2.124 0.758 0.701 0.909 0.576 CB 1.556 34 residues pruned to eliminate duplicates Z: 51 37.486 2.089 0.562 0.745 0.920 0.600 CB 1.419 51 residues pruned to eliminate duplicates Z: 26 32.417 2.085 0.645 0.774 0.960 0.640 CB 1.545 26 residues pruned to eliminate duplicates Z: 53 37.423 2.057 0.617 0.740 0.885 0.538 CB 1.422 53 residues pruned to eliminate duplicates Z: 24 36.690 2.140 0.709 0.825 1.000 0.652 CB 1.579 24 residues pruned to eliminate duplicates Z: 34 37.496 2.119 0.687 0.735 0.939 0.606 CB 1.574 34 residues pruned to eliminate duplicates Z: 25 34.289 2.125 0.735 0.780 0.958 0.750 CA 1.548 25 residues pruned to eliminate duplicates Z: 54 37.068 2.036 0.654 0.698 0.925 0.623 CB 1.365 54 residues pruned to eliminate duplicates Z: 26 35.857 2.050 0.831 0.795 0.960 0.560 CA 1.537 26 residues pruned to eliminate duplicates Z: 60 41.394 2.087 0.638 0.692 0.898 0.627 CB 1.472 61 residues pruned to eliminate duplicates 6 1.947 1.461 0.403 0.174 0.800 0.200 CA 0.787 ? Z: 6 2.170 1.977 0.254 0.470 0.800 0.800 CB 0.504 Z: 10 19.305 1.969 0.776 0.915 1.000 0.889 CA 1.300 10 residues pruned to eliminate duplicates Z: 25 23.765 2.108 0.688 0.555 0.917 0.625 CB 1.410 25 residues pruned to eliminate duplicates Z: 47 35.718 2.135 0.793 0.529 0.935 0.587 CB 1.431 47 residues pruned to eliminate duplicates Z: 47 37.884 2.150 0.758 0.533 0.978 0.565 CB 1.463 47 residues pruned to eliminate duplicates Z: 51 33.401 2.099 0.738 0.539 0.960 0.600 CB 1.298 51 residues pruned to eliminate duplicates Z: 48 33.868 2.098 0.682 0.513 0.957 0.532 CB 1.443 48 residues pruned to eliminate duplicates Z: 99 47.815 2.109 0.683 0.530 0.918 0.551 CB 1.439 99 residues pruned to eliminate duplicates Z: 50 36.878 2.137 0.747 0.538 0.980 0.592 CB 1.388 50 residues pruned to eliminate duplicates Z: 49 34.288 2.129 0.674 0.538 0.958 0.667 CB 1.396 49 residues pruned to eliminate duplicates Z: 61 37.649 2.115 0.757 0.550 0.933 0.650 CB 1.335 65 residues pruned to eliminate duplicates Z: 8 6.017 1.496 0.366 0.813 1.000 0.857 CA 0.848 8 residues pruned to eliminate duplicates Z: 60 35.331 2.052 0.640 0.512 0.966 0.610 CB 1.398 60 residues pruned to eliminate duplicates Z: 61 36.991 2.089 0.633 0.550 0.950 0.633 CB 1.404 61 residues pruned to eliminate duplicates Z: 48 36.952 2.155 0.789 0.556 0.957 0.574 CB 1.383 48 residues pruned to eliminate duplicates Z: 105 48.255 2.090 0.674 0.530 0.923 0.558 CB 1.422 105 residues pruned to eliminate duplicates Z: 48 35.523 2.132 0.678 0.533 0.957 0.596 CB 1.465 48 residues pruned to eliminate duplicates Z: 51 32.058 2.088 0.767 0.509 0.940 0.500 CB 1.296 51 residues pruned to eliminate duplicates Z: 49 29.991 2.112 0.618 0.499 0.896 0.542 CB 1.416 49 residues pruned to eliminate duplicates Z: 42 31.358 2.123 0.693 0.465 0.976 0.585 CA 1.447 42 residues pruned to eliminate duplicates Z: 49 35.385 2.117 0.719 0.545 0.938 0.583 CB 1.433 49 residues pruned to eliminate duplicates Z: 30 31.771 2.244 0.696 0.597 0.931 0.690 CA 1.518 30 residues pruned to eliminate duplicates Z: 45 33.440 2.138 0.724 0.525 0.909 0.568 CB 1.468 45 residues pruned to eliminate duplicates Z: 51 32.384 2.093 0.620 0.537 0.940 0.560 CB 1.386 51 residues pruned to eliminate duplicates Z: 49 32.435 2.098 0.720 0.529 0.917 0.667 CB 1.376 49 residues pruned to eliminate duplicates Z: 48 35.312 2.132 0.746 0.518 0.936 0.596 CB 1.453 48 residues pruned to eliminate duplicates Z: 48 32.960 2.099 0.696 0.513 0.979 0.532 CB 1.362 48 residues pruned to eliminate duplicates Z: 49 36.225 2.135 0.767 0.510 0.958 0.479 CB 1.433 49 residues pruned to eliminate duplicates Z: 49 33.956 2.101 0.690 0.533 0.917 0.562 CB 1.458 49 residues pruned to eliminate duplicates Z: 47 27.916 2.078 0.707 0.519 0.891 0.500 CB 1.278 47 residues pruned to eliminate duplicates Z: 47 36.606 2.134 0.723 0.524 0.978 0.565 CA 1.465 47 residues pruned to eliminate duplicates Z: 48 29.218 2.113 0.653 0.483 0.894 0.511 CB 1.388 48 residues pruned to eliminate duplicates Z: 31 22.045 2.028 0.790 0.421 0.900 0.433 CB 1.337 31 residues pruned to eliminate duplicates Z: 47 32.029 2.143 0.633 0.514 0.935 0.478 CB 1.424 47 residues pruned to eliminate duplicates Z: 48 34.051 2.108 0.738 0.500 0.957 0.617 CB 1.416 48 residues pruned to eliminate duplicates Z: 23 14.969 1.883 0.591 0.454 0.909 0.455 CB 1.228 23 residues pruned to eliminate duplicates Z: 46 22.552 1.933 0.668 0.449 0.911 0.533 CB 1.206 46 residues pruned to eliminate duplicates Z: 64 38.088 2.071 0.763 0.517 0.968 0.603 CB 1.335 64 residues pruned to eliminate duplicates Z: 49 31.881 2.133 0.655 0.516 0.917 0.583 CB 1.400 49 residues pruned to eliminate duplicates Z: 49 35.145 2.117 0.726 0.508 0.958 0.542 CB 1.438 49 residues pruned to eliminate duplicates Z: 51 35.392 2.083 0.783 0.501 0.960 0.600 CB 1.403 51 residues pruned to eliminate duplicates Z: 48 31.099 2.097 0.669 0.482 0.936 0.532 CB 1.410 48 residues pruned to eliminate duplicates Z: 110 50.807 2.127 0.705 0.561 0.927 0.624 CB 1.365 110 residues pruned to eliminate duplicates Z: 51 32.039 2.105 0.720 0.544 0.940 0.640 CB 1.275 51 residues pruned to eliminate duplicates Z: 49 33.571 2.119 0.690 0.522 0.958 0.625 CB 1.382 49 residues pruned to eliminate duplicates Z: 103 50.773 2.129 0.646 0.537 0.961 0.608 CB 1.439 103 residues pruned to eliminate duplicates Z: 48 35.939 2.126 0.792 0.506 0.957 0.574 CB 1.430 48 residues pruned to eliminate duplicates Z: 60 36.824 2.078 0.786 0.517 0.949 0.610 CB 1.338 60 residues pruned to eliminate duplicates Z: 65 36.541 2.095 0.702 0.534 0.922 0.562 CB 1.344 65 residues pruned to eliminate duplicates Z: 57 31.029 2.078 0.675 0.482 0.893 0.518 CB 1.359 57 residues pruned to eliminate duplicates Z: 104 52.175 2.131 0.717 0.561 0.951 0.602 CB 1.391 104 residues pruned to eliminate duplicates Z: 60 31.480 2.072 0.731 0.516 0.881 0.610 CB 1.276 60 residues pruned to eliminate duplicates Z: 65 32.708 2.039 0.736 0.518 0.906 0.562 CB 1.252 65 residues pruned to eliminate duplicates Z: 102 47.520 2.067 0.760 0.552 0.921 0.624 CB 1.342 102 residues pruned to eliminate duplicates Z: 14 14.909 1.919 0.515 0.618 1.000 0.769 CB 1.271 14 residues pruned to eliminate duplicates Z: 122 56.054 2.108 0.738 0.553 0.934 0.620 CB 1.415 122 residues pruned to eliminate duplicates Z: 58 35.952 2.080 0.783 0.510 0.947 0.719 CB 1.342 58 residues pruned to eliminate duplicates Z: 19 11.522 1.714 0.556 0.490 1.000 0.556 CB 1.029 19 residues pruned to eliminate duplicates Z: 108 47.650 2.096 0.684 0.547 0.907 0.636 CB 1.374 108 residues pruned to eliminate duplicates Z: 121 53.200 2.104 0.638 0.541 0.967 0.625 CB 1.399 121 residues pruned to eliminate duplicates Z: 101 54.289 2.143 0.714 0.567 0.980 0.610 CB 1.413 101 residues pruned to eliminate duplicates Z: 62 41.398 2.112 0.702 0.592 0.934 0.689 CB 1.445 62 residues pruned to eliminate duplicates Z: 64 37.316 2.110 0.595 0.567 0.921 0.603 CB 1.422 64 residues pruned to eliminate duplicates Z: 105 52.347 2.136 0.661 0.559 0.971 0.644 CB 1.406 105 residues pruned to eliminate duplicates Z: 49 33.752 2.128 0.575 0.595 0.938 0.625 CB 1.416 49 residues pruned to eliminate duplicates Z: 100 45.320 2.098 0.646 0.556 0.919 0.576 CB 1.359 100 residues pruned to eliminate duplicates Z: 108 51.225 2.124 0.661 0.571 0.944 0.589 CB 1.389 108 residues pruned to eliminate duplicates Z: 74 39.537 2.105 0.780 0.496 0.918 0.562 CB 1.351 74 residues pruned to eliminate duplicates Z: 108 52.234 2.110 0.687 0.543 0.972 0.636 CB 1.399 108 residues pruned to eliminate duplicates Z: 109 53.859 2.127 0.705 0.570 0.972 0.583 CB 1.373 109 residues pruned to eliminate duplicates Z: 108 50.688 2.110 0.680 0.554 0.953 0.598 CB 1.376 108 residues pruned to eliminate duplicates Z: 62 35.052 2.115 0.564 0.565 0.885 0.639 CB 1.439 62 residues pruned to eliminate duplicates Z: 45 36.534 2.208 0.606 0.606 0.955 0.591 CB 1.472 45 residues pruned to eliminate duplicates Z: 122 49.373 2.109 0.611 0.560 0.901 0.636 CB 1.383 122 residues pruned to eliminate duplicates Z: 106 55.817 2.134 0.741 0.566 0.971 0.638 CB 1.416 106 residues pruned to eliminate duplicates Z: 115 48.806 2.084 0.710 0.537 0.904 0.623 CB 1.369 115 residues pruned to eliminate duplicates Z: 26 25.165 2.076 0.621 0.604 0.880 0.640 CB 1.539 26 residues pruned to eliminate duplicates Z: 124 57.340 2.114 0.704 0.574 0.943 0.618 CB 1.417 124 residues pruned to eliminate duplicates Z: 120 52.212 2.112 0.661 0.555 0.933 0.605 CB 1.387 120 residues pruned to eliminate duplicates Z: 27 24.942 2.060 0.486 0.659 0.962 0.654 CB 1.434 27 residues pruned to eliminate duplicates Z: 61 34.042 2.031 0.658 0.534 0.933 0.617 CB 1.352 61 residues pruned to eliminate duplicates Z: 106 50.922 2.118 0.679 0.562 0.943 0.619 CB 1.396 106 residues pruned to eliminate duplicates Z: 64 39.862 2.068 0.671 0.591 0.984 0.651 CB 1.354 64 residues pruned to eliminate duplicates Z: 62 38.393 2.117 0.611 0.570 0.967 0.557 CB 1.393 62 residues pruned to eliminate duplicates Z: 106 53.276 2.117 0.708 0.567 0.962 0.695 CB 1.401 106 residues pruned to eliminate duplicates Z: 108 51.827 2.112 0.702 0.569 0.953 0.654 CB 1.367 108 residues pruned to eliminate duplicates Z: 94 46.162 2.092 0.727 0.555 0.925 0.624 CB 1.358 94 residues pruned to eliminate duplicates Z: 32 20.506 1.957 0.631 0.532 0.806 0.581 CB 1.387 32 residues pruned to eliminate duplicates Z: 97 44.032 2.046 0.622 0.580 0.927 0.635 CB 1.352 97 residues pruned to eliminate duplicates Z: 29 23.638 2.010 0.616 0.610 0.893 0.643 CB 1.388 29 residues pruned to eliminate duplicates Z: 123 54.394 2.112 0.665 0.564 0.951 0.623 CB 1.385 123 residues pruned to eliminate duplicates Z: 29 22.556 2.045 0.452 0.582 0.893 0.500 CB 1.486 29 residues pruned to eliminate duplicates Z: 50 36.538 2.072 0.741 0.580 0.980 0.633 CB 1.368 50 residues pruned to eliminate duplicates Z: 108 52.546 2.121 0.727 0.568 0.925 0.598 CB 1.403 108 residues pruned to eliminate duplicates Z: 18 20.491 2.123 0.739 0.560 0.824 0.412 CB 1.543 18 residues pruned to eliminate duplicates Z: 61 38.800 2.121 0.656 0.591 0.900 0.567 CB 1.453 60 residues pruned to eliminate duplicates Z: 6 5.066 1.640 0.424 0.461 1.000 0.400 CA 1.009 6 residues pruned to eliminate duplicates Z: 106 53.132 2.109 0.756 0.558 0.952 0.619 CB 1.389 106 residues pruned to eliminate duplicates Z: 63 41.989 2.126 0.752 0.584 0.952 0.661 CB 1.387 63 residues pruned to eliminate duplicates Z: 21 14.353 2.009 0.498 0.520 0.900 0.300 CB 1.162 21 residues pruned to eliminate duplicates Z: 106 51.885 2.121 0.720 0.569 0.933 0.610 CB 1.391 106 residues pruned to eliminate duplicates Z: 67 40.471 2.086 0.675 0.589 0.924 0.606 CB 1.417 67 residues pruned to eliminate duplicates Z: 107 51.404 2.121 0.672 0.568 0.943 0.604 CB 1.398 107 residues pruned to eliminate duplicates Z: 11 9.679 1.963 0.711 0.438 0.800 0.400 CA 1.214 11 residues pruned to eliminate duplicates Z: 16 11.535 1.980 0.426 0.425 0.867 0.267 CB 1.315 16 residues pruned to eliminate duplicates Z: 9 9.953 1.991 0.536 0.461 0.875 0.500 CA 1.368 9 residues pruned to eliminate duplicates Z: 62 40.283 2.122 0.695 0.581 0.967 0.557 CB 1.372 62 residues pruned to eliminate duplicates Z: 32 24.087 2.097 0.568 0.566 0.871 0.613 CB 1.418 33 residues pruned to eliminate duplicates Z: 11 8.948 1.974 0.587 0.652 0.800 0.500 CB 0.980 11 residues pruned to eliminate duplicates Z: 124 55.969 2.111 0.652 0.573 0.976 0.675 CB 1.382 124 residues pruned to eliminate duplicates Z: 79 40.412 2.088 0.574 0.571 0.949 0.641 CB 1.370 79 residues pruned to eliminate duplicates Z: 83 41.101 2.067 0.616 0.550 0.927 0.659 CB 1.396 83 residues pruned to eliminate duplicates Z: 37 26.506 2.012 0.693 0.511 0.972 0.528 CB 1.319 36 residues pruned to eliminate duplicates Z: 12 20.796 2.049 0.712 0.635 1.000 0.636 CB 1.575 12 residues pruned to eliminate duplicates Z: 26 20.986 2.020 0.708 0.563 0.880 0.560 CB 1.300 26 residues pruned to eliminate duplicates Z: 125 48.968 2.091 0.609 0.551 0.944 0.605 CB 1.319 125 residues pruned to eliminate duplicates Z: 15 21.014 2.159 0.768 0.609 0.929 0.786 CB 1.429 16 residues pruned to eliminate duplicates Z: 9 22.697 2.160 0.651 0.883 1.000 1.000 CA 1.626 9 residues pruned to eliminate duplicates Z: 10 18.922 2.007 0.600 0.783 1.000 0.667 CA 1.530 9 residues pruned to eliminate duplicates Z: 10 19.510 2.026 0.609 0.862 0.889 0.778 CA 1.648 10 residues pruned to eliminate duplicates Z: 49 36.508 2.077 0.617 0.616 0.979 0.625 CB 1.436 49 residues pruned to eliminate duplicates Z: 12 14.385 1.906 0.702 0.641 1.000 0.545 CB 1.172 12 residues pruned to eliminate duplicates Z: 10 17.738 1.888 1.254 0.745 1.000 0.667 CB 1.116 10 residues pruned to eliminate duplicates Z: 21 15.817 1.755 0.780 0.626 0.950 0.400 CB 1.058 21 residues pruned to eliminate duplicates Z: 10 16.906 1.813 0.864 0.796 1.000 0.778 CB 1.287 10 residues pruned to eliminate duplicates Z: 10 18.236 1.944 0.942 0.797 1.000 0.778 CB 1.242 10 residues pruned to eliminate duplicates Z: 10 17.178 1.925 0.651 0.793 1.000 0.667 CB 1.393 10 residues pruned to eliminate duplicates Z: 25 17.485 1.894 0.607 0.623 0.958 0.500 CB 1.090 25 residues pruned to eliminate duplicates Z: 24 15.431 1.889 0.485 0.461 0.913 0.652 CA 1.307 24 residues pruned to eliminate duplicates Z: 48 32.540 2.041 0.660 0.536 1.000 0.489 CB 1.351 48 residues pruned to eliminate duplicates Z: 45 37.051 2.102 0.808 0.532 1.000 0.545 CB 1.424 45 residues pruned to eliminate duplicates Z: 44 33.378 2.104 0.767 0.525 0.953 0.512 CA 1.401 44 residues pruned to eliminate duplicates Z: 11 15.987 2.020 0.549 0.661 1.000 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 6 6.972 2.045 0.386 0.311 1.000 0.200 CA 1.356 6 residues pruned to eliminate duplicates Z: 7 5.561 1.928 0.121 0.439 0.833 0.500 CB 1.343 7 residues pruned to eliminate duplicates Z: 12 17.085 1.906 0.671 0.701 1.000 0.455 CB 1.347 11 residues pruned to eliminate duplicates Z: 6 5.369 1.529 0.943 0.384 0.800 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 11 15.859 2.035 0.656 0.679 0.900 0.700 CB 1.403 11 residues pruned to eliminate duplicates Z: 11 18.457 2.026 0.733 0.713 1.000 0.700 CB 1.371 11 residues pruned to eliminate duplicates Z: 11 18.469 2.027 0.724 0.714 1.000 0.600 CB 1.377 12 residues pruned to eliminate duplicates Z: 23 28.472 2.062 0.508 0.836 1.000 0.818 CA 1.462 23 residues pruned to eliminate duplicates Z: 29 30.640 2.126 0.574 0.715 0.964 0.821 CA 1.476 30 residues pruned to eliminate duplicates Z: 21 26.865 2.050 0.408 0.909 1.000 0.950 CA 1.477 21 residues pruned to eliminate duplicates Z: 36 31.983 2.141 0.471 0.693 0.943 0.743 CB 1.525 36 residues pruned to eliminate duplicates Z: 22 28.914 2.055 0.721 0.830 0.905 0.810 CA 1.483 22 residues pruned to eliminate duplicates Z: 37 33.708 2.137 0.573 0.711 0.944 0.694 CB 1.461 37 residues pruned to eliminate duplicates Z: 36 33.617 2.121 0.579 0.703 0.943 0.600 CB 1.497 35 residues pruned to eliminate duplicates Z: 20 29.818 2.051 0.725 0.928 0.947 0.632 CB 1.429 20 residues pruned to eliminate duplicates Z: 27 31.771 2.033 0.817 0.692 0.962 0.654 CA 1.471 27 residues pruned to eliminate duplicates Z: 69 40.862 2.094 0.722 0.580 0.897 0.588 CB 1.418 69 residues pruned to eliminate duplicates Z: 34 37.074 2.145 0.701 0.713 0.939 0.636 CB 1.552 34 residues pruned to eliminate duplicates Z: 32 31.467 2.002 0.600 0.742 0.968 0.613 CB 1.468 32 residues pruned to eliminate duplicates Z: 19 33.625 2.171 0.827 0.931 0.889 0.611 CB 1.571 19 residues pruned to eliminate duplicates Z: 36 32.373 2.121 0.695 0.690 0.886 0.600 CB 1.443 36 residues pruned to eliminate duplicates Z: 32 29.384 2.017 0.701 0.721 0.903 0.548 CB 1.394 32 residues pruned to eliminate duplicates Z: 36 34.751 2.119 0.675 0.712 0.914 0.629 CB 1.494 36 residues pruned to eliminate duplicates Z: 34 36.946 2.114 0.689 0.750 0.970 0.667 CB 1.486 34 residues pruned to eliminate duplicates Z: 36 36.686 2.144 0.779 0.695 0.914 0.600 CB 1.488 36 residues pruned to eliminate duplicates Z: 29 30.104 1.980 0.725 0.729 0.964 0.643 CB 1.405 29 residues pruned to eliminate duplicates Z: 32 29.547 2.100 0.678 0.695 0.903 0.516 CB 1.395 32 residues pruned to eliminate duplicates Z: 32 34.615 2.118 0.699 0.708 0.968 0.581 CB 1.478 32 residues pruned to eliminate duplicates Z: 72 42.157 2.091 0.720 0.600 0.944 0.563 CB 1.340 72 residues pruned to eliminate duplicates Z: 86 44.324 2.109 0.694 0.613 0.929 0.624 CB 1.302 86 residues pruned to eliminate duplicates Z: 36 31.927 2.096 0.696 0.659 0.914 0.657 CB 1.432 36 residues pruned to eliminate duplicates Z: 31 36.582 2.112 0.783 0.708 0.933 0.467 CB 1.574 31 residues pruned to eliminate duplicates Z: 37 31.405 2.071 0.687 0.679 0.944 0.611 CB 1.345 37 residues pruned to eliminate duplicates Z: 63 39.696 2.095 0.632 0.664 0.903 0.532 CB 1.402 63 residues pruned to eliminate duplicates Z: 37 34.865 2.059 0.861 0.658 0.917 0.722 CB 1.428 37 residues pruned to eliminate duplicates Z: 37 28.907 2.083 0.571 0.656 0.917 0.528 CB 1.389 37 residues pruned to eliminate duplicates Z: 37 30.739 2.075 0.657 0.639 0.944 0.667 CB 1.385 37 residues pruned to eliminate duplicates Z: 29 33.056 2.196 0.693 0.720 0.893 0.500 CB 1.543 29 residues pruned to eliminate duplicates Z: 35 34.041 2.138 0.627 0.670 0.941 0.529 CB 1.524 35 residues pruned to eliminate duplicates Z: 12 8.747 2.082 0.202 0.485 0.818 0.364 CB 1.308 12 residues pruned to eliminate duplicates Z: 49 33.636 2.159 0.680 0.519 0.938 0.604 CB 1.401 49 residues pruned to eliminate duplicates Z: 48 30.983 2.154 0.604 0.516 0.936 0.532 CB 1.375 48 residues pruned to eliminate duplicates Z: 48 35.512 2.173 0.743 0.522 0.957 0.596 CB 1.398 48 residues pruned to eliminate duplicates Z: 48 33.737 2.151 0.665 0.515 0.936 0.511 CB 1.447 48 residues pruned to eliminate duplicates Z: 48 34.693 2.158 0.670 0.517 0.979 0.532 CB 1.410 48 residues pruned to eliminate duplicates Z: 28 34.602 2.325 0.804 0.570 1.000 0.704 CB 1.484 28 residues pruned to eliminate duplicates Z: 48 33.875 2.158 0.690 0.510 0.936 0.553 CB 1.432 48 residues pruned to eliminate duplicates Z: 30 31.952 2.249 0.777 0.570 1.000 0.621 CB 1.387 30 residues pruned to eliminate duplicates Z: 33 28.908 2.199 0.681 0.600 0.969 0.562 CB 1.297 33 residues pruned to eliminate duplicates Z: 28 35.122 2.320 0.804 0.574 1.000 0.556 CB 1.504 28 residues pruned to eliminate duplicates Z: 48 30.988 2.151 0.625 0.514 0.894 0.660 CB 1.427 48 residues pruned to eliminate duplicates Z: 28 39.249 2.325 0.956 0.573 1.000 0.704 CB 1.548 28 residues pruned to eliminate duplicates Z: 50 34.604 2.148 0.743 0.552 0.918 0.653 CB 1.367 50 residues pruned to eliminate duplicates Z: 56 31.917 2.063 0.779 0.493 0.891 0.473 CB 1.325 56 residues pruned to eliminate duplicates Z: 48 33.890 2.160 0.644 0.539 0.936 0.532 CB 1.432 48 residues pruned to eliminate duplicates Z: 50 33.402 2.120 0.666 0.496 0.939 0.551 CB 1.445 50 residues pruned to eliminate duplicates Z: 29 31.111 2.282 0.690 0.581 0.964 0.536 CB 1.462 29 residues pruned to eliminate duplicates Z: 29 28.155 2.264 0.645 0.558 0.929 0.500 CB 1.455 29 residues pruned to eliminate duplicates Z: 48 31.741 2.152 0.710 0.488 0.872 0.553 CB 1.460 48 residues pruned to eliminate duplicates Z: 47 35.274 2.170 0.677 0.513 0.957 0.543 CB 1.475 47 residues pruned to eliminate duplicates Z: 28 29.972 2.298 0.672 0.553 1.000 0.667 CB 1.425 28 residues pruned to eliminate duplicates Z: 106 52.777 2.130 0.677 0.553 0.962 0.533 CB 1.423 47 residues pruned to eliminate duplicates Z: 6 6.439 1.927 0.823 0.369 1.000 0.600 CA 0.943 6 residues pruned to eliminate duplicates Z: 47 27.973 2.099 0.646 0.498 0.913 0.565 CB 1.310 47 residues pruned to eliminate duplicates Z: 48 31.521 2.160 0.635 0.495 0.915 0.574 CB 1.430 48 residues pruned to eliminate duplicates Z: 53 27.405 2.073 0.541 0.453 0.923 0.519 CB 1.352 53 residues pruned to eliminate duplicates Z: 55 30.955 2.067 0.704 0.472 0.926 0.519 CB 1.329 55 residues pruned to eliminate duplicates Z: 51 32.150 2.151 0.652 0.494 0.920 0.580 CB 1.400 51 residues pruned to eliminate duplicates Z: 47 32.590 2.166 0.681 0.473 0.935 0.543 CB 1.451 47 residues pruned to eliminate duplicates Z: 48 36.731 2.148 0.755 0.497 0.957 0.553 CB 1.489 48 residues pruned to eliminate duplicates Z: 51 33.390 2.139 0.682 0.512 0.960 0.660 CB 1.351 51 residues pruned to eliminate duplicates Z: 126 50.304 2.095 0.610 0.554 0.928 0.568 CB 1.364 126 residues pruned to eliminate duplicates Z: 48 32.848 2.156 0.677 0.470 0.936 0.532 CB 1.459 48 residues pruned to eliminate duplicates Z: 48 34.772 2.158 0.763 0.481 0.957 0.532 CB 1.419 48 residues pruned to eliminate duplicates Z: 51 33.602 2.147 0.677 0.498 0.960 0.520 CB 1.377 51 residues pruned to eliminate duplicates Z: 49 36.375 2.168 0.748 0.503 0.979 0.542 CB 1.411 49 residues pruned to eliminate duplicates Z: 51 31.690 2.131 0.643 0.476 0.980 0.520 CB 1.338 51 residues pruned to eliminate duplicates Z: 48 35.992 2.157 0.757 0.488 0.936 0.638 CB 1.499 48 residues pruned to eliminate duplicates Z: 51 35.285 2.148 0.742 0.530 0.960 0.600 CB 1.349 51 residues pruned to eliminate duplicates Z: 47 34.238 2.182 0.687 0.492 0.935 0.630 CB 1.479 47 residues pruned to eliminate duplicates Z: 48 35.477 2.165 0.732 0.469 0.979 0.574 CB 1.455 48 residues pruned to eliminate duplicates Z: 81 38.774 2.070 0.622 0.477 0.963 0.575 CB 1.373 81 residues pruned to eliminate duplicates Z: 49 36.013 2.148 0.726 0.515 0.979 0.521 CB 1.411 49 residues pruned to eliminate duplicates Z: 39 20.472 1.892 0.622 0.461 0.895 0.500 CB 1.258 39 residues pruned to eliminate duplicates Z: 50 31.888 2.131 0.737 0.536 0.878 0.592 CB 1.353 50 residues pruned to eliminate duplicates Z: 102 52.876 2.145 0.691 0.537 0.970 0.584 CB 1.442 102 residues pruned to eliminate duplicates Z: 101 46.651 2.117 0.636 0.576 0.930 0.560 CB 1.346 101 residues pruned to eliminate duplicates Z: 97 46.701 2.124 0.661 0.555 0.917 0.583 CB 1.397 97 residues pruned to eliminate duplicates Z: 107 50.635 2.128 0.657 0.554 0.943 0.538 CB 1.402 107 residues pruned to eliminate duplicates Z: 8 15.002 1.928 0.576 0.812 1.000 0.714 CB 1.422 8 residues pruned to eliminate duplicates Z: 120 48.425 2.093 0.602 0.521 0.933 0.664 CB 1.389 120 residues pruned to eliminate duplicates Z: 47 25.161 1.962 0.616 0.468 0.891 0.630 CB 1.356 47 residues pruned to eliminate duplicates Z: 13 13.181 1.983 0.365 0.572 1.000 0.500 CB 1.310 13 residues pruned to eliminate duplicates Z: 62 30.797 2.098 0.609 0.533 0.885 0.623 CB 1.277 62 residues pruned to eliminate duplicates Z: 109 54.176 2.141 0.683 0.583 0.944 0.593 CB 1.414 109 residues pruned to eliminate duplicates Z: 107 55.338 2.146 0.659 0.558 0.972 0.604 CB 1.469 107 residues pruned to eliminate duplicates Z: 8 4.702 1.525 0.245 0.557 0.714 0.429 CB 1.240 8 residues pruned to eliminate duplicates Z: 65 35.640 2.101 0.614 0.535 0.953 0.641 CB 1.332 65 residues pruned to eliminate duplicates Z: 106 53.355 2.138 0.694 0.558 0.952 0.638 CB 1.427 106 residues pruned to eliminate duplicates Z: 57 30.649 2.039 0.520 0.515 0.929 0.571 CB 1.401 57 residues pruned to eliminate duplicates Z: 125 55.946 2.107 0.652 0.582 0.960 0.589 CB 1.390 125 residues pruned to eliminate duplicates Z: 100 49.953 2.132 0.656 0.565 0.980 0.657 CB 1.363 100 residues pruned to eliminate duplicates Z: 103 52.140 2.141 0.651 0.551 0.980 0.549 CB 1.417 103 residues pruned to eliminate duplicates Z: 105 49.305 2.125 0.703 0.542 0.923 0.567 CB 1.389 105 residues pruned to eliminate duplicates Z: 106 52.968 2.133 0.632 0.565 0.971 0.552 CB 1.434 106 residues pruned to eliminate duplicates Z: 6 3.052 1.528 0.511 0.237 1.000 0.400 CA 0.802 6 residues pruned to eliminate duplicates Z: 79 39.730 2.073 0.586 0.521 0.974 0.615 CB 1.375 79 residues pruned to eliminate duplicates Z: 97 49.938 2.148 0.642 0.557 0.958 0.604 CB 1.426 97 residues pruned to eliminate duplicates Z: 103 53.837 2.142 0.710 0.550 0.961 0.618 CB 1.443 103 residues pruned to eliminate duplicates Z: 96 48.814 2.133 0.673 0.511 0.979 0.663 CB 1.418 96 residues pruned to eliminate duplicates Z: 57 33.971 2.073 0.557 0.572 0.929 0.643 CB 1.413 57 residues pruned to eliminate duplicates Z: 78 41.624 2.078 0.569 0.565 0.974 0.636 CB 1.403 78 residues pruned to eliminate duplicates Z: 122 54.384 2.118 0.630 0.578 0.942 0.612 CB 1.410 122 residues pruned to eliminate duplicates Z: 66 35.728 2.064 0.579 0.565 0.954 0.631 CB 1.338 66 residues pruned to eliminate duplicates Z: 101 52.422 2.133 0.690 0.568 0.970 0.610 CB 1.404 101 residues pruned to eliminate duplicates Z: 31 23.254 1.988 0.537 0.535 0.933 0.467 CB 1.439 31 residues pruned to eliminate duplicates Z: 110 52.420 2.111 0.690 0.566 0.963 0.624 CB 1.371 110 residues pruned to eliminate duplicates Z: 109 53.677 2.134 0.701 0.572 0.972 0.620 CB 1.365 109 residues pruned to eliminate duplicates Z: 145 58.741 2.119 0.643 0.596 0.917 0.611 CB 1.399 145 residues pruned to eliminate duplicates Z: 80 39.929 2.068 0.565 0.561 0.949 0.620 CB 1.379 80 residues pruned to eliminate duplicates Z: 108 50.616 2.134 0.615 0.584 0.944 0.654 CB 1.387 108 residues pruned to eliminate duplicates Z: 46 37.326 2.150 0.672 0.614 0.956 0.689 CB 1.454 46 residues pruned to eliminate duplicates Z: 80 45.493 2.087 0.707 0.587 0.937 0.557 CB 1.411 80 residues pruned to eliminate duplicates Z: 38 34.572 2.141 0.693 0.646 0.919 0.649 CB 1.488 38 residues pruned to eliminate duplicates Z: 106 54.666 2.151 0.729 0.563 0.933 0.648 CB 1.446 106 residues pruned to eliminate duplicates Z: 108 50.282 2.127 0.700 0.573 0.916 0.598 CB 1.368 108 residues pruned to eliminate duplicates Z: 98 44.409 2.037 0.582 0.552 0.959 0.577 CB 1.387 98 residues pruned to eliminate duplicates Z: 104 50.301 2.128 0.674 0.532 0.961 0.612 CB 1.402 104 residues pruned to eliminate duplicates Z: 105 53.383 2.140 0.724 0.566 0.971 0.615 CB 1.371 105 residues pruned to eliminate duplicates Z: 27 25.408 1.971 0.625 0.627 0.923 0.654 CA 1.496 27 residues pruned to eliminate duplicates Z: 62 41.276 2.132 0.610 0.605 0.984 0.557 CB 1.417 62 residues pruned to eliminate duplicates Z: 123 54.308 2.119 0.705 0.560 0.910 0.623 CB 1.412 123 residues pruned to eliminate duplicates Z: 110 52.993 2.147 0.653 0.576 0.954 0.615 CB 1.394 110 residues pruned to eliminate duplicates Z: 80 45.442 2.106 0.624 0.583 0.949 0.646 CB 1.453 80 residues pruned to eliminate duplicates Z: 18 19.220 2.150 0.491 0.571 0.882 0.529 CA 1.539 18 residues pruned to eliminate duplicates Z: 81 44.360 2.101 0.610 0.587 0.963 0.663 CB 1.402 81 residues pruned to eliminate duplicates Z: 121 56.641 2.133 0.665 0.565 0.950 0.617 CB 1.439 106 residues pruned to eliminate duplicates Z: 11 9.698 1.860 0.656 0.578 0.700 0.400 CB 1.320 11 residues pruned to eliminate duplicates Z: 126 57.230 2.126 0.679 0.574 0.952 0.680 CB 1.403 126 residues pruned to eliminate duplicates Z: 103 47.715 2.085 0.619 0.574 0.912 0.618 CB 1.430 103 residues pruned to eliminate duplicates Z: 109 52.222 2.129 0.663 0.567 0.963 0.667 CB 1.381 109 residues pruned to eliminate duplicates Z: 10 9.594 2.067 0.244 0.596 0.778 0.333 CB 1.459 10 residues pruned to eliminate duplicates Z: 90 45.614 2.107 0.641 0.545 0.955 0.596 CB 1.401 90 residues pruned to eliminate duplicates Z: 21 12.236 1.931 0.364 0.457 0.750 0.600 CB 1.448 21 residues pruned to eliminate duplicates Z: 18 14.770 1.993 0.467 0.546 0.882 0.588 CB 1.327 18 residues pruned to eliminate duplicates Z: 17 16.040 2.022 0.490 0.539 0.875 0.562 CB 1.464 17 residues pruned to eliminate duplicates Z: 77 43.701 2.103 0.631 0.593 0.961 0.618 CB 1.392 77 residues pruned to eliminate duplicates Z: 15 19.565 2.171 0.466 0.588 1.000 0.857 CB 1.510 15 residues pruned to eliminate duplicates Z: 90 38.375 2.017 0.636 0.452 0.933 0.528 CB 1.389 90 residues pruned to eliminate duplicates Z: 124 56.249 2.125 0.706 0.569 0.959 0.610 CB 1.364 124 residues pruned to eliminate duplicates Z: 15 21.493 2.167 0.693 0.624 0.929 0.786 CB 1.501 15 residues pruned to eliminate duplicates Z: 34 24.124 2.059 0.643 0.546 0.848 0.485 CB 1.399 34 residues pruned to eliminate duplicates Z: 105 49.155 2.065 0.643 0.573 0.952 0.654 CB 1.391 105 residues pruned to eliminate duplicates Z: 16 21.949 2.040 0.916 0.572 0.933 0.667 CB 1.450 15 residues pruned to eliminate duplicates Z: 9 25.083 2.124 0.867 0.869 1.000 0.500 CA 1.633 10 residues pruned to eliminate duplicates Z: 10 21.972 2.018 0.565 0.904 1.000 0.556 CB 1.652 10 residues pruned to eliminate duplicates Z: 125 53.674 2.109 0.700 0.562 0.935 0.597 CB 1.353 125 residues pruned to eliminate duplicates Z: 122 61.841 2.130 0.755 0.579 0.975 0.595 CB 1.430 121 residues pruned to eliminate duplicates Z: 8 6.502 1.523 0.524 0.620 0.857 0.429 CB 1.103 8 residues pruned to eliminate duplicates Z: 9 9.253 1.693 0.729 0.555 1.000 0.625 CB 1.059 8 residues pruned to eliminate duplicates Z: 17 14.832 1.647 0.780 0.677 0.938 0.562 CB 1.146 17 residues pruned to eliminate duplicates Z: 7 5.557 1.729 0.627 0.590 0.833 0.167 CB 0.888 7 residues pruned to eliminate duplicates Z: 108 47.544 2.111 0.565 0.572 0.944 0.533 CB 1.374 108 residues pruned to eliminate duplicates Z: 106 47.014 2.105 0.561 0.576 0.943 0.581 CB 1.375 106 residues pruned to eliminate duplicates Z: 22 26.252 2.172 0.709 0.646 1.000 0.571 CB 1.347 22 residues pruned to eliminate duplicates Z: 106 50.883 2.125 0.620 0.576 0.971 0.590 CB 1.380 106 residues pruned to eliminate duplicates Z: 111 45.616 2.114 0.562 0.563 0.927 0.555 CB 1.336 111 residues pruned to eliminate duplicates Z: 119 52.153 2.099 0.636 0.579 0.966 0.602 CB 1.341 119 residues pruned to eliminate duplicates Z: 25 31.273 2.243 0.773 0.595 1.000 0.500 CB 1.466 25 residues pruned to eliminate duplicates Z: 106 53.804 2.134 0.683 0.571 0.962 0.619 CB 1.419 106 residues pruned to eliminate duplicates Z: 108 48.982 2.124 0.585 0.575 0.944 0.542 CB 1.385 108 residues pruned to eliminate duplicates Z: 105 50.038 2.128 0.616 0.566 0.971 0.606 CB 1.378 105 residues pruned to eliminate duplicates Z: 122 51.266 2.082 0.621 0.569 0.950 0.587 CB 1.360 122 residues pruned to eliminate duplicates Z: 108 47.754 2.112 0.571 0.562 0.953 0.579 CB 1.375 108 residues pruned to eliminate duplicates Z: 25 30.399 2.215 0.929 0.546 0.958 0.500 CA 1.448 25 residues pruned to eliminate duplicates Z: 46 40.284 2.198 0.738 0.530 0.978 0.511 CA 1.561 46 residues pruned to eliminate duplicates Z: 108 46.862 2.118 0.569 0.567 0.925 0.589 CB 1.381 108 residues pruned to eliminate duplicates Z: 107 48.311 2.121 0.604 0.561 0.943 0.566 CB 1.378 107 residues pruned to eliminate duplicates Z: 83 39.410 2.083 0.607 0.521 0.878 0.573 CB 1.450 83 residues pruned to eliminate duplicates Z: 27 30.272 2.189 0.868 0.545 1.000 0.500 CA 1.390 27 residues pruned to eliminate duplicates Z: 108 52.986 2.130 0.662 0.560 0.972 0.607 CB 1.405 108 residues pruned to eliminate duplicates Z: 113 46.036 2.062 0.617 0.557 0.955 0.562 CB 1.292 113 residues pruned to eliminate duplicates Z: 25 30.568 2.227 0.774 0.568 1.000 0.542 CA 1.479 25 residues pruned to eliminate duplicates Z: 120 45.217 2.105 0.536 0.565 0.908 0.513 CB 1.327 120 residues pruned to eliminate duplicates Z: 100 50.229 2.143 0.648 0.553 0.960 0.576 CB 1.415 100 residues pruned to eliminate duplicates Z: 48 34.728 2.170 0.613 0.505 0.979 0.426 CA 1.472 48 residues pruned to eliminate duplicates Z: 45 29.328 2.064 0.542 0.473 0.932 0.523 CB 1.531 45 residues pruned to eliminate duplicates Z: 99 48.804 2.143 0.620 0.551 0.959 0.592 CB 1.409 99 residues pruned to eliminate duplicates Z: 64 41.884 2.140 0.688 0.523 0.937 0.524 CB 1.524 64 residues pruned to eliminate duplicates Z: 64 38.393 2.148 0.596 0.498 0.921 0.508 CA 1.535 64 residues pruned to eliminate duplicates Z: 90 49.146 2.138 0.633 0.570 0.966 0.640 CB 1.442 90 residues pruned to eliminate duplicates Z: 109 41.720 2.012 0.604 0.527 0.935 0.630 CB 1.296 109 residues pruned to eliminate duplicates Z: 108 49.345 2.128 0.666 0.556 0.944 0.626 CB 1.351 108 residues pruned to eliminate duplicates Z: 111 49.154 2.110 0.632 0.568 0.945 0.582 CB 1.348 111 residues pruned to eliminate duplicates Z: 46 32.845 2.171 0.627 0.515 0.911 0.467 CA 1.499 46 residues pruned to eliminate duplicates Z: 55 32.717 2.106 0.573 0.470 0.907 0.556 CB 1.527 55 residues pruned to eliminate duplicates Z: 61 42.898 2.180 0.615 0.538 0.967 0.600 CA 1.567 61 residues pruned to eliminate duplicates Z: 64 40.577 2.156 0.585 0.506 0.968 0.587 CB 1.536 64 residues pruned to eliminate duplicates Z: 63 42.387 2.184 0.612 0.532 0.968 0.645 CB 1.531 63 residues pruned to eliminate duplicates Z: 109 51.130 2.129 0.648 0.569 0.972 0.620 CB 1.349 109 residues pruned to eliminate duplicates Z: 123 49.182 2.081 0.627 0.552 0.951 0.598 CB 1.315 123 residues pruned to eliminate duplicates Z: 126 51.265 2.093 0.658 0.565 0.960 0.600 CB 1.293 126 residues pruned to eliminate duplicates Z: 109 46.784 2.103 0.557 0.569 0.963 0.602 CB 1.335 109 residues pruned to eliminate duplicates Z: 100 49.206 2.148 0.670 0.554 0.939 0.556 CB 1.392 100 residues pruned to eliminate duplicates Z: 116 49.824 2.123 0.595 0.579 0.948 0.565 CB 1.342 116 residues pruned to eliminate duplicates Z: 56 31.078 2.115 0.504 0.487 0.909 0.455 CB 1.468 56 residues pruned to eliminate duplicates Z: 110 45.313 2.120 0.588 0.559 0.917 0.596 CB 1.327 110 residues pruned to eliminate duplicates Z: 105 51.530 2.123 0.689 0.541 0.990 0.577 CB 1.366 105 residues pruned to eliminate duplicates Z: 65 33.032 2.062 0.536 0.606 0.984 0.641 CB 1.197 65 residues pruned to eliminate duplicates Z: 108 50.672 2.114 0.629 0.572 0.972 0.589 CB 1.366 108 residues pruned to eliminate duplicates Z: 105 48.661 2.113 0.583 0.558 0.981 0.635 CB 1.375 105 residues pruned to eliminate duplicates Z: 122 53.392 2.098 0.637 0.567 0.983 0.603 CB 1.347 122 residues pruned to eliminate duplicates Z: 112 48.140 2.103 0.601 0.548 0.955 0.568 CB 1.356 112 residues pruned to eliminate duplicates Z: 39 26.370 2.085 0.517 0.462 0.921 0.605 CA 1.526 39 residues pruned to eliminate duplicates Z: 105 47.015 2.130 0.576 0.563 0.942 0.577 CB 1.370 105 residues pruned to eliminate duplicates Z: 47 27.752 1.997 0.547 0.448 0.978 0.565 CB 1.427 47 residues pruned to eliminate duplicates Z: 63 31.073 2.065 0.558 0.588 0.968 0.597 CB 1.165 63 residues pruned to eliminate duplicates Z: 78 38.204 2.062 0.663 0.549 0.961 0.636 CB 1.260 78 residues pruned to eliminate duplicates Z: 122 49.867 2.095 0.612 0.581 0.917 0.595 CB 1.353 122 residues pruned to eliminate duplicates Z: 62 35.838 2.061 0.677 0.609 0.934 0.574 CB 1.281 62 residues pruned to eliminate duplicates Z: 98 41.566 2.085 0.593 0.540 0.918 0.567 CB 1.332 98 residues pruned to eliminate duplicates Z: 66 33.857 2.056 0.595 0.599 0.954 0.585 CB 1.222 66 residues pruned to eliminate duplicates Z: 105 49.323 2.127 0.633 0.556 0.952 0.625 CB 1.385 105 residues pruned to eliminate duplicates Z: 58 31.331 2.084 0.528 0.584 0.965 0.632 CB 1.247 58 residues pruned to eliminate duplicates Z: 91 50.745 2.145 0.721 0.549 0.944 0.622 CB 1.462 91 residues pruned to eliminate duplicates Z: 60 32.843 2.067 0.648 0.591 0.915 0.627 CB 1.257 60 residues pruned to eliminate duplicates Z: 47 27.876 2.068 0.571 0.582 0.891 0.609 CB 1.311 47 residues pruned to eliminate duplicates Z: 82 40.255 2.077 0.575 0.552 0.963 0.593 CB 1.350 82 residues pruned to eliminate duplicates Z: 108 48.832 2.117 0.639 0.570 0.953 0.636 CB 1.334 108 residues pruned to eliminate duplicates Z: 113 48.256 2.071 0.662 0.552 0.955 0.598 CB 1.318 113 residues pruned to eliminate duplicates Z: 34 23.413 2.039 0.613 0.476 0.939 0.545 CB 1.353 34 residues pruned to eliminate duplicates Z: 92 52.807 2.137 0.734 0.574 0.967 0.604 CB 1.438 92 residues pruned to eliminate duplicates Z: 62 34.271 2.075 0.627 0.609 0.934 0.705 CB 1.254 62 residues pruned to eliminate duplicates Z: 48 31.669 2.064 0.685 0.596 0.936 0.638 CB 1.295 48 residues pruned to eliminate duplicates Z: 49 25.556 2.053 0.577 0.620 0.917 0.646 CB 1.109 49 residues pruned to eliminate duplicates Z: 53 28.721 2.028 0.703 0.613 0.904 0.635 CB 1.147 53 residues pruned to eliminate duplicates Z: 60 34.335 2.070 0.616 0.598 0.949 0.678 CB 1.283 60 residues pruned to eliminate duplicates Z: 64 34.530 2.046 0.622 0.582 0.952 0.635 CB 1.273 64 residues pruned to eliminate duplicates Z: 61 35.016 2.083 0.620 0.595 0.950 0.583 CB 1.288 61 residues pruned to eliminate duplicates Z: 91 50.009 2.149 0.712 0.551 0.944 0.567 CB 1.442 91 residues pruned to eliminate duplicates Z: 48 29.066 2.009 0.564 0.619 0.957 0.617 CB 1.260 48 residues pruned to eliminate duplicates Z: 98 41.573 2.079 0.623 0.548 0.918 0.608 CB 1.301 98 residues pruned to eliminate duplicates Z: 108 47.747 2.119 0.659 0.572 0.897 0.579 CB 1.365 108 residues pruned to eliminate duplicates Z: 93 52.418 2.145 0.691 0.576 0.989 0.587 CB 1.417 93 residues pruned to eliminate duplicates Z: 47 35.203 2.089 0.660 0.630 0.978 0.652 CB 1.354 47 residues pruned to eliminate duplicates Z: 78 35.903 2.020 0.665 0.581 0.922 0.636 CB 1.221 78 residues pruned to eliminate duplicates Z: 102 43.123 2.053 0.620 0.555 0.941 0.663 CB 1.300 102 residues pruned to eliminate duplicates Z: 99 46.515 2.131 0.653 0.564 0.929 0.612 CB 1.350 99 residues pruned to eliminate duplicates Z: 105 48.678 2.125 0.666 0.557 0.952 0.529 CB 1.340 105 residues pruned to eliminate duplicates Z: 42 27.377 2.064 0.710 0.621 0.951 0.634 CB 1.136 42 residues pruned to eliminate duplicates Z: 102 48.243 2.117 0.677 0.564 0.921 0.604 CB 1.379 102 residues pruned to eliminate duplicates Z: 106 48.986 2.115 0.658 0.550 0.943 0.590 CB 1.377 106 residues pruned to eliminate duplicates Z: 122 52.539 2.104 0.628 0.576 0.967 0.620 CB 1.340 122 residues pruned to eliminate duplicates Z: 107 50.408 2.128 0.698 0.584 0.925 0.708 CB 1.353 107 residues pruned to eliminate duplicates Z: 63 35.612 2.075 0.641 0.598 0.935 0.677 CB 1.292 63 residues pruned to eliminate duplicates Z: 31 23.209 2.052 0.570 0.681 0.967 0.633 CB 1.151 31 residues pruned to eliminate duplicates Z: 106 52.519 2.123 0.680 0.574 0.981 0.667 CB 1.365 106 residues pruned to eliminate duplicates Z: 17 11.266 1.972 0.519 0.534 1.000 0.562 CB 0.909 17 residues pruned to eliminate duplicates Z: 34 21.540 2.066 0.505 0.678 0.939 0.667 CB 1.090 34 residues pruned to eliminate duplicates Z: 107 51.188 2.113 0.683 0.568 0.953 0.642 CB 1.374 107 residues pruned to eliminate duplicates Z: 62 34.828 2.065 0.630 0.578 0.967 0.607 CB 1.271 62 residues pruned to eliminate duplicates Z: 82 36.073 2.039 0.605 0.532 0.889 0.605 CB 1.335 82 residues pruned to eliminate duplicates Z: 63 35.290 2.050 0.619 0.583 0.968 0.629 CB 1.288 63 residues pruned to eliminate duplicates Z: 23 16.080 1.818 0.715 0.595 0.818 0.545 CB 1.228 23 residues pruned to eliminate duplicates Z: 65 33.547 2.050 0.644 0.579 0.984 0.609 CB 1.171 65 residues pruned to eliminate duplicates Z: 27 14.395 1.820 0.545 0.584 0.846 0.500 CB 1.094 27 residues pruned to eliminate duplicates Z: 31 19.186 1.903 0.607 0.579 1.000 0.633 CB 1.062 31 residues pruned to eliminate duplicates Z: 122 49.304 2.092 0.623 0.560 0.959 0.570 CB 1.299 122 residues pruned to eliminate duplicates Z: 24 17.051 1.879 0.553 0.656 0.957 0.652 CB 1.102 24 residues pruned to eliminate duplicates Z: 16 9.974 1.873 0.479 0.549 0.867 0.467 CB 1.023 16 residues pruned to eliminate duplicates Z: 16 9.591 1.785 0.412 0.578 0.933 0.467 CB 0.976 16 residues pruned to eliminate duplicates Z: 25 21.941 2.113 0.698 0.577 0.958 0.625 CB 1.210 25 residues pruned to eliminate duplicates Z: 6 7.058 1.969 0.593 0.299 1.000 0.400 CA 1.259 6 residues pruned to eliminate duplicates Z: 25 22.474 2.093 0.763 0.572 0.958 0.667 CB 1.210 25 residues pruned to eliminate duplicates Z: 23 24.834 2.147 0.802 0.572 1.000 0.682 CB 1.277 23 residues pruned to eliminate duplicates Z: 24 19.071 2.109 0.627 0.589 0.957 0.696 CB 1.113 24 residues pruned to eliminate duplicates Z: 24 19.570 2.135 0.553 0.591 0.957 0.652 CB 1.179 24 residues pruned to eliminate duplicates Z: 25 18.802 2.113 0.619 0.484 0.875 0.583 CB 1.303 25 residues pruned to eliminate duplicates Z: 10 16.545 2.137 0.631 0.621 1.000 0.667 CB 1.410 10 residues pruned to eliminate duplicates Z: 23 19.086 2.155 0.660 0.564 0.818 0.727 CB 1.307 23 residues pruned to eliminate duplicates Z: 25 20.834 2.099 0.788 0.534 0.917 0.667 CB 1.196 25 residues pruned to eliminate duplicates Z: 6 5.824 1.628 0.796 0.370 1.000 0.400 CA 1.024 6 residues pruned to eliminate duplicates Z: 24 19.606 2.102 0.755 0.536 0.913 0.522 CB 1.172 24 residues pruned to eliminate duplicates Z: 25 18.492 2.096 0.590 0.519 0.958 0.542 CB 1.159 25 residues pruned to eliminate duplicates Z: 6 3.894 1.265 1.020 0.410 0.800 0.600 C 0.936 6 residues pruned to eliminate duplicates Z: 39 32.254 2.162 0.707 0.632 0.947 0.579 CB 1.322 39 residues pruned to eliminate duplicates Z: 26 24.872 2.148 0.645 0.621 0.920 0.640 CB 1.365 26 residues pruned to eliminate duplicates Z: 104 53.312 2.089 0.630 0.624 0.961 0.534 CB 1.428 104 residues pruned to eliminate duplicates Z: 37 33.126 2.197 0.739 0.609 0.972 0.667 CB 1.341 37 residues pruned to eliminate duplicates Z: 136 53.674 2.067 0.635 0.572 0.963 0.644 CB 1.325 136 residues pruned to eliminate duplicates Z: 16 17.626 1.808 0.695 0.877 0.933 0.667 CB 1.155 16 residues pruned to eliminate duplicates Z: 16 21.442 1.799 0.871 0.931 1.000 0.867 CB 1.149 16 residues pruned to eliminate duplicates Z: 17 20.807 1.827 0.701 0.915 1.000 0.688 CB 1.183 17 residues pruned to eliminate duplicates Z: 16 20.888 1.901 0.633 0.908 1.000 0.733 CB 1.235 16 residues pruned to eliminate duplicates Z: 17 21.385 1.823 0.797 0.923 1.000 0.875 CB 1.146 17 residues pruned to eliminate duplicates Z: 17 21.706 1.827 0.811 0.912 1.000 0.750 CB 1.162 17 residues pruned to eliminate duplicates Z: 17 21.073 1.841 0.655 0.899 1.000 0.625 CB 1.236 17 residues pruned to eliminate duplicates Z: 16 20.031 1.909 0.583 0.907 1.000 0.600 CB 1.216 16 residues pruned to eliminate duplicates Z: 18 18.599 1.744 0.689 0.888 1.000 0.412 CB 1.104 18 residues pruned to eliminate duplicates Z: 17 20.299 1.819 0.751 0.908 1.000 0.562 CB 1.132 17 residues pruned to eliminate duplicates Z: 17 19.494 1.829 0.705 0.905 0.938 0.375 CB 1.186 17 residues pruned to eliminate duplicates Z: 17 19.137 1.836 0.740 0.875 0.938 0.562 CB 1.162 17 residues pruned to eliminate duplicates Z: 17 20.846 1.823 0.792 0.913 1.000 0.500 CB 1.129 17 residues pruned to eliminate duplicates Z: 17 21.199 1.814 0.852 0.917 1.000 0.625 CB 1.113 17 residues pruned to eliminate duplicates Z: 7 2.636 1.531 -0.033 0.668 1.000 0.333 CB 0.622 7 residues pruned to eliminate duplicates Z: 19 19.148 1.813 0.585 0.891 1.000 0.778 CB 1.130 19 residues pruned to eliminate duplicates Z: 18 19.471 1.881 0.577 0.902 1.000 0.765 CB 1.135 18 residues pruned to eliminate duplicates Z: 18 19.346 1.893 0.540 0.900 1.000 0.824 CB 1.149 18 residues pruned to eliminate duplicates Z: 18 19.072 1.872 0.475 0.899 1.000 0.882 CB 1.197 18 residues pruned to eliminate duplicates Z: 18 19.506 1.884 0.580 0.906 1.000 0.824 CB 1.130 18 residues pruned to eliminate duplicates Z: 13 16.070 1.934 0.524 0.894 1.000 1.000 CB 1.129 13 residues pruned to eliminate duplicates Z: 18 18.818 1.865 0.444 0.903 1.000 0.882 CB 1.208 18 residues pruned to eliminate duplicates Z: 17 20.783 1.919 0.642 0.900 1.000 0.812 CB 1.177 17 residues pruned to eliminate duplicates Z: 19 17.714 1.819 0.586 0.844 1.000 0.611 CB 1.077 19 residues pruned to eliminate duplicates Z: 18 20.692 1.895 0.652 0.906 1.000 0.824 CB 1.140 18 residues pruned to eliminate duplicates Z: 18 22.154 1.890 0.731 0.914 1.000 1.000 CB 1.162 18 residues pruned to eliminate duplicates Z: 18 21.265 1.891 0.634 0.922 1.000 0.824 CB 1.174 18 residues pruned to eliminate duplicates Z: 17 23.090 1.936 0.727 0.919 1.000 0.938 CB 1.217 18 residues pruned to eliminate duplicates Z: 9 15.283 2.256 0.496 0.833 0.875 0.375 CA 1.373 9 residues pruned to eliminate duplicates Z: 106 48.403 2.111 0.611 0.556 0.952 0.590 CB 1.382 106 residues pruned to eliminate duplicates Z: 91 47.364 2.125 0.714 0.557 0.900 0.511 CB 1.441 91 residues pruned to eliminate duplicates Z: 105 53.157 2.134 0.676 0.572 0.971 0.587 CB 1.399 105 residues pruned to eliminate duplicates Z: 61 37.169 2.139 0.598 0.511 0.967 0.450 CB 1.436 61 residues pruned to eliminate duplicates Z: 121 48.955 2.116 0.558 0.584 0.933 0.583 CB 1.340 121 residues pruned to eliminate duplicates Z: 21 26.835 2.264 0.616 0.622 1.000 0.500 CB 1.461 21 residues pruned to eliminate duplicates Z: 107 51.080 2.134 0.620 0.583 0.953 0.585 CB 1.391 107 residues pruned to eliminate duplicates Z: 35 27.794 2.154 0.662 0.578 0.971 0.588 CB 1.272 35 residues pruned to eliminate duplicates Z: 29 27.889 2.181 0.679 0.524 1.000 0.429 CB 1.406 29 residues pruned to eliminate duplicates Z: 26 25.060 2.195 0.650 0.531 0.920 0.320 CB 1.459 26 residues pruned to eliminate duplicates Z: 21 24.634 2.260 0.640 0.587 0.950 0.500 CB 1.439 21 residues pruned to eliminate duplicates Z: 16 17.397 2.134 0.607 0.500 0.933 0.467 CB 1.403 16 residues pruned to eliminate duplicates Z: 26 27.715 2.205 0.891 0.525 0.920 0.400 CA 1.409 26 residues pruned to eliminate duplicates Z: 25 23.827 2.216 0.830 0.475 0.833 0.500 CA 1.477 25 residues pruned to eliminate duplicates Z: 22 24.078 2.218 0.829 0.554 0.905 0.524 CA 1.358 22 residues pruned to eliminate duplicates Z: 38 24.021 2.087 0.546 0.459 0.892 0.459 CA 1.430 38 residues pruned to eliminate duplicates Z: 91 53.419 2.127 0.751 0.585 0.967 0.656 CB 1.442 91 residues pruned to eliminate duplicates Z: 110 52.647 2.113 0.640 0.585 0.972 0.578 CB 1.379 110 residues pruned to eliminate duplicates Z: 110 49.837 2.109 0.628 0.566 0.972 0.624 CB 1.341 110 residues pruned to eliminate duplicates Z: 64 44.803 2.155 0.650 0.529 1.000 0.492 CB 1.542 64 residues pruned to eliminate duplicates Z: 34 30.540 2.210 0.720 0.481 0.970 0.485 CA 1.470 34 residues pruned to eliminate duplicates Z: 26 26.741 2.157 0.922 0.487 0.880 0.560 CA 1.484 26 residues pruned to eliminate duplicates Z: 93 48.512 2.116 0.699 0.579 0.946 0.641 CB 1.379 93 residues pruned to eliminate duplicates Z: 124 47.467 2.061 0.563 0.558 0.959 0.569 CB 1.309 124 residues pruned to eliminate duplicates Z: 43 26.589 2.053 0.437 0.455 0.952 0.548 CA 1.529 43 residues pruned to eliminate duplicates Z: 90 49.004 2.136 0.624 0.559 0.966 0.562 CB 1.463 90 residues pruned to eliminate duplicates Z: 108 51.022 2.119 0.685 0.562 0.963 0.542 CB 1.351 108 residues pruned to eliminate duplicates Z: 118 52.768 2.130 0.657 0.599 0.949 0.590 CB 1.325 118 residues pruned to eliminate duplicates Z: 46 35.369 2.190 0.686 0.531 0.911 0.578 CA 1.520 46 residues pruned to eliminate duplicates Z: 99 45.303 2.092 0.597 0.573 0.969 0.592 CB 1.318 99 residues pruned to eliminate duplicates Z: 98 44.328 2.095 0.566 0.550 0.969 0.619 CB 1.348 98 residues pruned to eliminate duplicates Z: 106 44.502 2.047 0.684 0.541 0.914 0.581 CB 1.323 106 residues pruned to eliminate duplicates Z: 109 50.701 2.108 0.619 0.591 0.963 0.611 CB 1.359 109 residues pruned to eliminate duplicates Z: 100 53.167 2.146 0.735 0.570 0.949 0.556 CB 1.412 100 residues pruned to eliminate duplicates Z: 125 50.826 2.054 0.672 0.561 0.960 0.589 CB 1.305 125 residues pruned to eliminate duplicates Z: 91 50.905 2.131 0.700 0.558 0.967 0.600 CB 1.449 91 residues pruned to eliminate duplicates Z: 122 47.115 2.087 0.626 0.566 0.909 0.554 CB 1.303 122 residues pruned to eliminate duplicates Z: 122 50.767 2.074 0.683 0.549 0.942 0.603 CB 1.338 122 residues pruned to eliminate duplicates Z: 111 49.705 2.124 0.601 0.592 0.955 0.582 CB 1.336 111 residues pruned to eliminate duplicates Z: 44 28.963 2.087 0.547 0.476 0.930 0.512 CB 1.507 44 residues pruned to eliminate duplicates Z: 124 50.076 2.080 0.659 0.564 0.943 0.577 CB 1.305 124 residues pruned to eliminate duplicates Z: 79 38.477 2.070 0.615 0.536 0.949 0.551 CB 1.325 79 residues pruned to eliminate duplicates Z: 113 48.593 2.068 0.657 0.559 0.964 0.616 CB 1.312 113 residues pruned to eliminate duplicates Z: 108 50.198 2.138 0.594 0.557 0.963 0.589 CB 1.399 108 residues pruned to eliminate duplicates Z: 123 52.215 2.083 0.635 0.573 0.959 0.623 CB 1.349 123 residues pruned to eliminate duplicates Z: 49 26.834 1.958 0.505 0.482 0.917 0.646 CB 1.460 49 residues pruned to eliminate duplicates Z: 122 47.741 2.072 0.585 0.557 0.942 0.595 CB 1.327 122 residues pruned to eliminate duplicates Z: 48 30.938 2.041 0.628 0.631 0.936 0.638 CB 1.283 48 residues pruned to eliminate duplicates Z: 107 46.902 2.123 0.570 0.561 0.953 0.594 CB 1.352 107 residues pruned to eliminate duplicates Z: 78 37.056 2.035 0.596 0.621 0.922 0.636 CB 1.258 78 residues pruned to eliminate duplicates Z: 46 34.417 2.092 0.666 0.628 0.956 0.711 CB 1.366 46 residues pruned to eliminate duplicates Z: 78 38.681 2.032 0.712 0.604 0.935 0.688 CB 1.227 78 residues pruned to eliminate duplicates Z: 93 49.965 2.131 0.673 0.589 0.978 0.620 CB 1.372 93 residues pruned to eliminate duplicates Z: 63 37.468 2.069 0.668 0.606 0.984 0.694 CB 1.266 63 residues pruned to eliminate duplicates Z: 154 55.297 2.076 0.568 0.572 0.941 0.647 CB 1.361 280 residues pruned to eliminate duplicates Z: 6 5.425 1.851 0.456 0.693 0.800 0.400 CA 0.943 6 residues pruned to eliminate duplicates Z: 100 41.570 2.071 0.565 0.562 0.929 0.616 CB 1.306 100 residues pruned to eliminate duplicates Z: 79 37.537 2.022 0.616 0.588 0.974 0.615 CB 1.227 79 residues pruned to eliminate duplicates Z: 91 51.065 2.129 0.679 0.558 0.989 0.644 CB 1.439 91 residues pruned to eliminate duplicates Z: 55 35.100 2.077 0.644 0.611 0.981 0.667 CB 1.283 55 residues pruned to eliminate duplicates Z: 91 48.775 2.138 0.693 0.563 0.944 0.600 CB 1.414 91 residues pruned to eliminate duplicates Z: 76 40.643 2.108 0.639 0.550 0.933 0.547 CB 1.387 76 residues pruned to eliminate duplicates Z: 79 38.265 2.027 0.677 0.606 0.936 0.654 CB 1.231 79 residues pruned to eliminate duplicates Z: 47 34.231 2.076 0.734 0.634 0.935 0.630 CB 1.322 47 residues pruned to eliminate duplicates Z: 70 43.211 2.093 0.707 0.592 0.942 0.652 CB 1.416 70 residues pruned to eliminate duplicates Z: 57 34.836 2.076 0.656 0.599 0.946 0.643 CB 1.302 57 residues pruned to eliminate duplicates Z: 119 54.657 2.046 0.756 0.616 0.949 0.627 CB 1.322 119 residues pruned to eliminate duplicates Z: 63 29.376 1.980 0.694 0.629 0.887 0.597 CB 1.111 63 residues pruned to eliminate duplicates Z: 52 35.512 2.039 0.679 0.613 0.980 0.706 CB 1.331 52 residues pruned to eliminate duplicates Z: 64 41.803 2.101 0.635 0.595 0.968 0.698 CB 1.446 64 residues pruned to eliminate duplicates Z: 109 53.390 2.135 0.738 0.589 0.944 0.583 CB 1.347 109 residues pruned to eliminate duplicates Z: 79 43.437 2.089 0.643 0.591 0.974 0.705 CB 1.348 79 residues pruned to eliminate duplicates Z: 90 49.084 2.123 0.734 0.577 0.944 0.640 CB 1.390 90 residues pruned to eliminate duplicates Z: 94 45.518 2.047 0.682 0.601 0.968 0.624 CB 1.287 94 residues pruned to eliminate duplicates Z: 91 51.701 2.124 0.746 0.579 0.967 0.600 CB 1.409 91 residues pruned to eliminate duplicates Z: 47 28.216 2.073 0.591 0.641 0.978 0.609 CB 1.130 47 residues pruned to eliminate duplicates Z: 111 47.834 2.078 0.718 0.545 0.927 0.564 CB 1.318 111 residues pruned to eliminate duplicates Z: 60 31.201 1.988 0.643 0.599 0.932 0.661 CB 1.214 60 residues pruned to eliminate duplicates Z: 103 51.470 2.128 0.732 0.577 0.961 0.598 CB 1.336 103 residues pruned to eliminate duplicates Z: 61 35.475 2.069 0.713 0.590 0.933 0.633 CB 1.270 61 residues pruned to eliminate duplicates Z: 125 53.529 2.096 0.731 0.581 0.927 0.629 CB 1.322 125 residues pruned to eliminate duplicates Z: 60 30.403 2.020 0.635 0.637 0.898 0.695 CB 1.174 60 residues pruned to eliminate duplicates Z: 91 55.885 2.142 0.811 0.574 0.978 0.600 CB 1.445 91 residues pruned to eliminate duplicates Z: 64 36.751 2.076 0.703 0.601 0.984 0.651 CB 1.209 64 residues pruned to eliminate duplicates Z: 63 32.941 2.064 0.613 0.597 0.952 0.597 CB 1.203 63 residues pruned to eliminate duplicates Z: 62 37.279 2.084 0.658 0.613 0.984 0.738 CB 1.262 62 residues pruned to eliminate duplicates Z: 94 45.884 2.075 0.675 0.591 0.957 0.634 CB 1.311 94 residues pruned to eliminate duplicates Z: 65 36.366 2.071 0.645 0.600 0.953 0.641 CB 1.272 65 residues pruned to eliminate duplicates Z: 81 36.005 1.998 0.537 0.572 0.975 0.650 CB 1.254 81 residues pruned to eliminate duplicates Z: 79 37.502 2.008 0.678 0.595 0.949 0.615 CB 1.213 79 residues pruned to eliminate duplicates Z: 111 54.125 2.104 0.749 0.568 0.973 0.636 CB 1.350 111 residues pruned to eliminate duplicates Z: 82 41.528 2.062 0.686 0.577 0.938 0.617 CB 1.314 82 residues pruned to eliminate duplicates Z: 17 14.407 2.009 0.682 0.480 0.938 0.500 CB 1.161 17 residues pruned to eliminate duplicates Z: 105 49.504 2.126 0.694 0.547 0.933 0.558 CB 1.380 105 residues pruned to eliminate duplicates Z: 71 39.988 2.082 0.618 0.579 0.986 0.614 CB 1.334 71 residues pruned to eliminate duplicates Z: 25 16.663 1.938 0.602 0.578 0.917 0.667 CB 1.109 25 residues pruned to eliminate duplicates Z: 113 48.263 2.044 0.699 0.557 0.946 0.580 CB 1.313 113 residues pruned to eliminate duplicates Z: 49 25.149 1.991 0.518 0.624 0.958 0.625 CB 1.115 49 residues pruned to eliminate duplicates Z: 123 53.948 2.081 0.720 0.562 0.975 0.590 CB 1.318 123 residues pruned to eliminate duplicates Z: 26 16.398 1.915 0.585 0.573 0.880 0.600 CB 1.145 26 residues pruned to eliminate duplicates Z: 123 54.694 2.078 0.771 0.571 0.943 0.533 CB 1.333 123 residues pruned to eliminate duplicates Z: 117 44.909 2.033 0.714 0.529 0.922 0.560 CB 1.260 117 residues pruned to eliminate duplicates Z: 28 17.389 1.854 0.673 0.541 0.889 0.407 CB 1.166 28 residues pruned to eliminate duplicates Z: 24 15.345 1.953 0.628 0.612 0.870 0.522 CB 1.041 24 residues pruned to eliminate duplicates Z: 26 16.669 1.862 0.530 0.561 0.960 0.520 CB 1.149 26 residues pruned to eliminate duplicates Z: 116 50.770 2.073 0.760 0.543 0.913 0.530 CB 1.362 116 residues pruned to eliminate duplicates Z: 26 17.400 1.885 0.698 0.571 0.920 0.440 CB 1.104 26 residues pruned to eliminate duplicates Z: 123 55.953 2.084 0.748 0.566 0.975 0.607 CB 1.338 123 residues pruned to eliminate duplicates Z: 60 32.995 2.001 0.691 0.631 0.983 0.593 CB 1.142 60 residues pruned to eliminate duplicates Z: 25 17.476 1.939 0.729 0.544 1.000 0.583 CB 1.020 25 residues pruned to eliminate duplicates Z: 27 16.086 1.899 0.547 0.531 0.923 0.500 CB 1.128 27 residues pruned to eliminate duplicates Z: 25 17.398 1.779 0.852 0.556 0.917 0.500 CB 1.113 25 residues pruned to eliminate duplicates Z: 24 21.411 1.869 0.764 0.643 0.957 0.522 CB 1.239 24 residues pruned to eliminate duplicates Z: 123 51.539 2.077 0.691 0.550 0.951 0.590 CB 1.330 123 residues pruned to eliminate duplicates Z: 77 39.731 2.047 0.712 0.600 0.934 0.618 CB 1.266 77 residues pruned to eliminate duplicates Z: 49 29.538 2.013 0.652 0.673 0.979 0.625 CB 1.116 49 residues pruned to eliminate duplicates Z: 49 29.388 2.008 0.732 0.626 0.958 0.625 CB 1.130 49 residues pruned to eliminate duplicates Z: 60 31.406 2.003 0.747 0.599 0.949 0.627 CB 1.120 60 residues pruned to eliminate duplicates Z: 26 18.501 1.891 0.811 0.582 0.920 0.520 CB 1.086 26 residues pruned to eliminate duplicates Z: 18 15.637 1.720 0.467 0.904 1.000 1.000 CB 1.070 18 residues pruned to eliminate duplicates Z: 17 17.372 1.770 0.538 0.918 1.000 0.812 CB 1.125 17 residues pruned to eliminate duplicates Z: 18 16.134 1.702 0.550 0.915 1.000 0.824 CB 1.048 18 residues pruned to eliminate duplicates Z: 16 18.736 1.850 0.577 0.898 1.000 0.667 CB 1.186 16 residues pruned to eliminate duplicates Z: 16 18.216 1.862 0.507 0.891 1.000 0.667 CB 1.205 16 residues pruned to eliminate duplicates Z: 16 17.735 1.854 0.526 0.894 1.000 0.800 CB 1.162 16 residues pruned to eliminate duplicates Z: 16 17.828 1.861 0.447 0.909 1.000 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 16 20.120 1.861 0.642 0.926 1.000 0.933 CB 1.192 16 residues pruned to eliminate duplicates Z: 17 19.532 1.792 0.693 0.915 1.000 0.625 CB 1.137 17 residues pruned to eliminate duplicates Z: 16 19.696 1.844 0.673 0.914 1.000 0.733 CB 1.166 16 residues pruned to eliminate duplicates Z: 17 19.127 1.763 0.674 0.906 1.000 0.875 CB 1.153 17 residues pruned to eliminate duplicates Z: 17 18.125 1.788 0.578 0.907 1.000 0.875 CB 1.141 17 residues pruned to eliminate duplicates Z: 15 18.892 1.881 0.508 0.906 1.000 0.857 CB 1.266 15 residues pruned to eliminate duplicates Z: 16 19.852 1.811 0.648 0.912 1.000 0.867 CB 1.216 16 residues pruned to eliminate duplicates Z: 9 4.777 1.504 0.245 0.326 1.000 0.750 CB 1.093 9 residues pruned to eliminate duplicates Z: 18 19.058 1.874 0.529 0.893 1.000 0.706 CB 1.158 18 residues pruned to eliminate duplicates Z: 18 18.464 1.873 0.438 0.904 1.000 0.706 CB 1.184 18 residues pruned to eliminate duplicates Z: 18 20.002 1.872 0.526 0.897 1.000 0.765 CB 1.216 18 residues pruned to eliminate duplicates Z: 18 23.453 1.903 0.787 0.903 1.000 0.824 CB 1.192 18 residues pruned to eliminate duplicates Z: 19 20.062 1.819 0.607 0.908 1.000 0.778 CB 1.149 19 residues pruned to eliminate duplicates Z: 19 19.298 1.834 0.692 0.843 1.000 0.722 CB 1.092 19 residues pruned to eliminate duplicates Z: 18 22.118 1.905 0.718 0.881 1.000 0.647 CB 1.187 18 residues pruned to eliminate duplicates Z: 18 20.585 1.878 0.591 0.893 1.000 0.824 CB 1.200 18 residues pruned to eliminate duplicates Z: 19 17.373 1.817 0.558 0.830 1.000 0.722 CB 1.087 19 residues pruned to eliminate duplicates Z: 18 21.187 1.880 0.657 0.921 1.000 0.941 CB 1.161 18 residues pruned to eliminate duplicates Z: 18 20.989 1.875 0.624 0.868 1.000 0.706 CB 1.221 18 residues pruned to eliminate duplicates Z: 18 20.960 1.865 0.738 0.918 1.000 0.647 CB 1.106 18 residues pruned to eliminate duplicates Z: 18 18.977 1.858 0.613 0.865 0.941 0.647 CB 1.196 18 residues pruned to eliminate duplicates Z: 17 18.715 1.878 0.858 0.893 0.875 0.375 CB 1.100 17 residues pruned to eliminate duplicates Z: 18 20.677 1.859 0.815 0.912 1.000 0.529 CB 1.053 18 residues pruned to eliminate duplicates Z: 12 12.667 1.959 0.637 0.581 0.909 0.455 CB 1.211 12 residues pruned to eliminate duplicates Z: 10 14.616 1.996 0.512 0.621 1.000 0.444 CB 1.441 10 residues pruned to eliminate duplicates Z: 19 11.416 1.739 0.713 0.637 0.778 0.444 CB 1.021 19 residues pruned to eliminate duplicates Z: 15 13.472 1.722 0.511 0.598 0.929 0.357 CB 1.357 13 residues pruned to eliminate duplicates Z: 11 16.132 1.883 0.586 0.802 0.900 0.600 CB 1.458 13 residues pruned to eliminate duplicates Z: 10 13.512 1.924 0.623 0.795 0.778 0.444 CB 1.432 10 residues pruned to eliminate duplicates Z: 12 9.367 1.693 0.320 0.825 0.909 0.545 CB 1.049 12 residues pruned to eliminate duplicates Z: 15 9.404 1.858 0.202 0.740 0.786 0.286 CB 1.155 14 residues pruned to eliminate duplicates Z: 12 7.889 1.612 0.459 0.799 0.727 0.364 CB 1.070 12 residues pruned to eliminate duplicates Z: 12 7.423 1.703 0.329 0.603 0.909 0.364 CB 0.987 12 residues pruned to eliminate duplicates Z: 28 20.991 1.928 0.566 0.632 0.889 0.556 CB 1.330 26 residues pruned to eliminate duplicates Z: 10 12.102 1.800 0.427 0.867 1.000 0.556 CB 1.149 10 residues pruned to eliminate duplicates Z: 14 16.045 1.899 0.488 0.822 1.000 0.385 CB 1.190 15 residues pruned to eliminate duplicates Z: 6 2.245 1.263 0.376 0.479 1.000 0.800 N 0.590 6 residues pruned to eliminate duplicates Z: 14 20.516 1.882 0.811 0.554 1.000 0.615 CB 1.585 14 residues pruned to eliminate duplicates Z: 14 13.294 1.848 0.758 0.538 0.846 0.692 CB 1.293 14 residues pruned to eliminate duplicates Z: 14 18.465 1.830 0.704 0.674 0.923 0.769 CB 1.516 14 residues pruned to eliminate duplicates Z: 12 29.458 2.108 1.013 0.762 1.000 0.909 CA 1.659 12 residues pruned to eliminate duplicates 793 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 6 D: 12 E: 6 F: 24 G: 6 H: 8 I: 11 J: 82 K: 102 L: 8 M: 24 N: 17 O: 18 P: 17 Q: 18 R: 243 S: 177 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 26.32 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.400, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.489, Connect. = 0.755 for dens.mod. cycle 2 = 0.300, Contrast = 0.552, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.562, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.569, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.574, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.579, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.582, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.585, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.589, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5891 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1092 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 35.064 2.228 0.586 0.892 0.950 0.800 CA 1.678 B: 25 21.270 2.149 0.655 0.535 0.875 0.667 CB 1.349 C: 21 35.388 2.161 0.664 0.909 0.950 0.700 CB 1.643 D: 23 27.267 2.230 0.755 0.596 1.000 0.727 CB 1.355 E: 15 32.947 2.323 0.614 0.898 1.000 0.714 CA 1.680 F: 18 19.927 1.868 0.430 0.867 1.000 0.941 CB 1.323 G: 9 16.632 2.102 0.431 0.864 0.875 0.750 CB 1.637 H: 21 31.139 2.128 0.560 0.896 0.900 0.650 CA 1.669 21 residues pruned to eliminate duplicates I: 15 27.991 2.293 0.630 0.880 0.857 0.500 CA 1.692 15 residues pruned to eliminate duplicates J: 16 21.678 2.203 0.432 0.854 0.867 0.800 CA 1.512 16 residues pruned to eliminate duplicates K: 15 21.559 2.310 0.530 0.831 0.786 0.571 CA 1.558 15 residues pruned to eliminate duplicates L: 21 36.461 2.199 0.714 0.914 0.900 0.650 CA 1.700 21 residues pruned to eliminate duplicates M: 16 26.684 2.142 0.684 0.883 0.933 0.733 CA 1.480 N: 9 24.440 2.260 0.832 0.849 1.000 0.875 CA 1.546 O: 6 9.876 1.717 0.766 0.829 1.000 0.800 CA 1.096 P: 20 34.544 2.254 0.767 0.918 0.895 0.632 CA 1.568 20 residues pruned to eliminate duplicates Q: 6 11.665 2.046 0.537 0.823 1.000 0.600 CA 1.254 R: 6 8.297 2.036 0.286 0.645 0.800 0.600 CA 1.546 6 residues pruned to eliminate duplicates S: 25 25.616 2.208 0.703 0.557 0.917 0.625 CB 1.435 25 residues pruned to eliminate duplicates T: 25 26.091 2.122 0.639 0.623 0.917 0.625 CB 1.487 U: 23 28.747 2.228 0.719 0.554 1.000 0.636 CB 1.518 25 residues pruned to eliminate duplicates V: 15 23.306 2.260 0.475 0.885 0.929 0.714 CA 1.453 15 residues pruned to eliminate duplicates W: 21 34.897 2.155 0.507 0.926 1.000 0.650 CA 1.684 21 residues pruned to eliminate duplicates X: 7 12.813 1.848 0.376 0.782 1.000 0.667 CA 1.604 7 residues pruned to eliminate duplicates Y: 8 20.551 2.147 0.712 0.918 1.000 0.857 CB 1.490 9 residues pruned to eliminate duplicates Z: 24 25.675 2.265 0.645 0.572 0.957 0.565 CB 1.402 24 residues pruned to eliminate duplicates Z: 15 28.887 2.237 0.672 0.901 0.929 0.571 CA 1.587 15 residues pruned to eliminate duplicates Z: 20 38.665 2.213 0.812 0.928 0.947 0.632 CB 1.636 20 residues pruned to eliminate duplicates Z: 10 15.154 1.951 0.590 0.859 1.000 0.889 CA 1.199 9 residues pruned to eliminate duplicates Z: 9 20.437 2.147 0.682 0.904 1.000 0.750 CA 1.424 Z: 12 18.226 2.020 0.594 0.705 1.000 0.545 CB 1.417 Z: 42 30.249 2.143 0.564 0.578 0.902 0.683 CB 1.450 15 residues pruned to eliminate duplicates Z: 25 20.275 2.176 0.590 0.544 0.833 0.500 CB 1.374 25 residues pruned to eliminate duplicates Z: 13 33.958 2.318 0.734 0.885 1.000 0.417 CA 1.761 14 residues pruned to eliminate duplicates Z: 22 31.169 2.067 0.795 0.880 0.810 0.667 CB 1.641 22 residues pruned to eliminate duplicates Z: 18 22.853 1.927 0.613 0.925 1.000 0.941 CB 1.252 Z: 23 26.718 2.260 0.622 0.561 0.955 0.636 CB 1.534 23 residues pruned to eliminate duplicates Z: 109 58.414 2.243 0.574 0.576 0.944 0.565 CB 1.566 6 residues pruned to eliminate duplicates Z: 11 17.902 2.143 0.649 0.675 0.900 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 20 37.347 2.254 0.709 0.927 0.895 0.579 CB 1.741 20 residues pruned to eliminate duplicates Z: 15 26.939 2.289 0.391 0.883 1.000 0.643 CA 1.635 15 residues pruned to eliminate duplicates Z: 15 27.531 2.280 0.428 0.921 1.000 0.857 CA 1.590 15 residues pruned to eliminate duplicates Z: 19 43.077 2.294 0.877 0.939 0.944 0.722 CB 1.735 21 residues pruned to eliminate duplicates Z: 9 16.771 1.957 0.298 0.909 1.000 0.875 CB 1.657 9 residues pruned to eliminate duplicates Z: 24 21.042 2.217 0.556 0.524 0.913 0.435 CB 1.361 24 residues pruned to eliminate duplicates Z: 10 20.647 1.979 0.524 0.904 1.000 0.778 CA 1.626 8 residues pruned to eliminate duplicates Z: 8 14.574 2.155 0.229 0.842 1.000 0.714 CB 1.551 8 residues pruned to eliminate duplicates Z: 57 48.697 2.286 0.707 0.570 0.982 0.661 CA 1.587 15 residues pruned to eliminate duplicates Z: 16 23.883 2.124 0.399 0.870 1.000 0.867 CA 1.515 16 residues pruned to eliminate duplicates Z: 9 21.549 1.982 0.760 0.903 1.000 0.625 N 1.557 9 residues pruned to eliminate duplicates Z: 24 24.020 2.239 0.630 0.580 0.913 0.478 CB 1.392 24 residues pruned to eliminate duplicates Z: 23 14.957 1.836 0.346 0.674 0.909 0.636 CB 1.209 Z: 19 31.303 2.228 0.506 0.903 0.944 0.722 CB 1.659 19 residues pruned to eliminate duplicates Z: 19 13.899 2.093 0.385 0.528 0.833 0.500 CB 1.319 13 residues pruned to eliminate duplicates Z: 24 25.455 2.266 0.704 0.601 0.913 0.609 CB 1.367 23 residues pruned to eliminate duplicates Z: 20 33.433 2.233 0.495 0.925 0.947 0.632 CB 1.701 20 residues pruned to eliminate duplicates Z: 24 17.509 1.937 0.487 0.666 0.870 0.435 CB 1.251 24 residues pruned to eliminate duplicates Z: 14 13.026 1.846 0.577 0.537 0.923 0.692 CB 1.297 Z: 25 24.707 2.137 0.625 0.565 0.958 0.667 CB 1.424 25 residues pruned to eliminate duplicates Z: 143 69.213 2.238 0.622 0.610 0.930 0.570 CB 1.550 108 residues pruned to eliminate duplicates Z: 18 23.109 1.930 0.665 0.906 1.000 0.941 CB 1.240 18 residues pruned to eliminate duplicates Z: 9 18.173 2.029 0.807 0.826 1.000 0.750 CB 1.321 9 residues pruned to eliminate duplicates Z: 105 63.096 2.230 0.746 0.576 0.942 0.673 CB 1.566 108 residues pruned to eliminate duplicates Z: 30 32.363 2.285 0.632 0.612 0.931 0.483 CB 1.557 17 residues pruned to eliminate duplicates Z: 34 33.177 2.248 0.503 0.659 0.939 0.545 CA 1.571 15 residues pruned to eliminate duplicates Z: 15 27.878 2.255 0.696 0.896 0.929 0.643 CA 1.503 15 residues pruned to eliminate duplicates Z: 22 33.371 2.100 0.659 0.916 0.905 0.667 CA 1.631 22 residues pruned to eliminate duplicates Z: 56 46.340 2.237 0.665 0.703 0.927 0.509 CB 1.503 56 residues pruned to eliminate duplicates Z: 16 23.902 2.127 0.492 0.851 1.000 0.667 CA 1.439 16 residues pruned to eliminate duplicates Z: 16 25.172 2.143 0.478 0.905 1.000 0.867 CA 1.460 16 residues pruned to eliminate duplicates Z: 12 24.821 2.296 0.508 0.874 0.909 0.273 CA 1.731 12 residues pruned to eliminate duplicates Z: 47 28.764 2.086 0.503 0.605 0.891 0.500 CB 1.373 47 residues pruned to eliminate duplicates Z: 15 23.115 2.217 0.315 0.908 0.929 0.714 CA 1.621 15 residues pruned to eliminate duplicates Z: 10 15.427 1.959 0.330 0.901 1.000 1.000 CB 1.408 9 residues pruned to eliminate duplicates Z: 15 14.968 1.966 0.316 0.888 0.929 0.714 CB 1.200 15 residues pruned to eliminate duplicates Z: 16 21.503 2.160 0.294 0.928 1.000 0.867 CB 1.391 16 residues pruned to eliminate duplicates Z: 17 19.735 2.021 0.459 0.853 0.938 0.688 CB 1.320 17 residues pruned to eliminate duplicates Z: 21 33.097 2.202 0.696 0.896 0.850 0.550 CA 1.669 21 residues pruned to eliminate duplicates Z: 25 19.984 2.169 0.584 0.516 0.875 0.542 CB 1.336 25 residues pruned to eliminate duplicates Z: 9 16.306 2.047 0.450 0.856 1.000 0.625 CB 1.432 9 residues pruned to eliminate duplicates Z: 11 16.263 2.147 0.311 0.882 0.900 0.600 CB 1.469 11 residues pruned to eliminate duplicates Z: 27 18.934 1.898 0.553 0.656 0.808 0.385 CB 1.349 26 residues pruned to eliminate duplicates Z: 9 15.375 2.124 0.277 0.893 1.000 1.000 CA 1.439 9 residues pruned to eliminate duplicates Z: 10 18.933 2.069 0.611 0.871 1.000 0.778 CA 1.381 10 residues pruned to eliminate duplicates Z: 93 37.782 1.999 0.565 0.534 0.957 0.641 CB 1.274 42 residues pruned to eliminate duplicates Z: 8 15.331 2.257 0.414 0.849 1.000 0.714 CA 1.346 8 residues pruned to eliminate duplicates Z: 10 9.465 1.835 0.347 0.766 0.889 0.778 CB 1.134 10 residues pruned to eliminate duplicates Z: 19 36.519 2.294 0.701 0.933 0.889 0.778 CB 1.731 19 residues pruned to eliminate duplicates Z: 23 16.934 1.849 0.483 0.591 0.955 0.727 CB 1.264 Z: 48 31.445 2.108 0.545 0.585 0.894 0.660 CB 1.452 35 residues pruned to eliminate duplicates Z: 7 11.446 1.804 0.409 0.860 1.000 0.667 CA 1.352 7 residues pruned to eliminate duplicates Z: 19 31.864 2.256 0.323 0.952 1.000 0.944 CB 1.733 19 residues pruned to eliminate duplicates Z: 8 12.531 2.047 0.648 0.672 1.000 0.571 CB 1.198 Z: 12 14.215 2.303 0.204 0.843 1.000 0.636 CB 1.151 12 residues pruned to eliminate duplicates Z: 16 20.104 1.993 0.372 0.884 1.000 0.733 CB 1.372 Z: 8 11.125 1.878 0.473 0.648 1.000 0.571 CA 1.324 Z: 8 17.152 2.120 0.466 0.896 1.000 1.000 CB 1.494 8 residues pruned to eliminate duplicates Z: 9 15.713 2.085 0.462 0.894 0.875 0.625 CB 1.494 9 residues pruned to eliminate duplicates Z: 12 13.912 2.019 0.483 0.599 0.909 0.636 CB 1.402 14 residues pruned to eliminate duplicates Z: 12 14.392 2.019 0.755 0.614 0.909 0.727 CA 1.210 10 residues pruned to eliminate duplicates Z: 18 19.394 1.908 0.379 0.905 1.000 0.824 CB 1.273 18 residues pruned to eliminate duplicates Z: 9 8.959 1.649 0.385 0.705 0.875 0.500 CB 1.315 Z: 46 38.550 2.242 0.661 0.609 0.889 0.600 CB 1.566 47 residues pruned to eliminate duplicates Z: 44 44.625 2.303 0.774 0.556 0.977 0.651 CA 1.615 44 residues pruned to eliminate duplicates Z: 55 51.332 2.276 0.660 0.722 0.963 0.537 CB 1.572 55 residues pruned to eliminate duplicates Z: 6 5.809 2.044 -0.162 0.740 0.800 0.400 CB 1.530 6 residues pruned to eliminate duplicates Z: 9 10.359 1.928 0.705 0.841 0.750 0.375 CB 1.108 9 residues pruned to eliminate duplicates Z: 15 31.123 2.291 0.539 0.920 1.000 0.643 CA 1.661 15 residues pruned to eliminate duplicates Z: 45 36.852 2.244 0.570 0.621 0.909 0.591 CB 1.546 45 residues pruned to eliminate duplicates Z: 15 12.445 1.768 0.762 0.480 0.857 0.571 CA 1.271 15 residues pruned to eliminate duplicates Z: 25 21.235 2.170 0.619 0.529 0.875 0.542 CB 1.370 23 residues pruned to eliminate duplicates Z: 9 8.241 1.923 0.441 0.819 0.875 0.625 CB 0.912 9 residues pruned to eliminate duplicates Z: 20 37.723 2.227 0.667 0.926 0.947 0.474 CB 1.726 20 residues pruned to eliminate duplicates Z: 20 34.121 2.227 0.568 0.923 0.947 0.842 CB 1.663 19 residues pruned to eliminate duplicates Z: 20 36.628 2.239 0.658 0.924 0.947 0.579 CB 1.678 20 residues pruned to eliminate duplicates Z: 17 20.310 2.082 0.441 0.882 1.000 0.625 CB 1.225 17 residues pruned to eliminate duplicates Z: 10 17.967 1.928 1.088 0.817 1.000 0.778 CB 1.130 Z: 11 7.643 1.792 0.331 0.710 0.700 0.500 CA 1.197 11 residues pruned to eliminate duplicates Z: 12 14.370 1.976 0.401 0.686 1.000 0.545 CB 1.320 12 residues pruned to eliminate duplicates Z: 44 37.685 2.213 0.594 0.616 0.953 0.698 CB 1.532 44 residues pruned to eliminate duplicates Z: 123 61.110 2.191 0.628 0.571 0.951 0.574 CB 1.523 116 residues pruned to eliminate duplicates Z: 16 22.799 2.101 0.342 0.904 1.000 0.667 CA 1.486 16 residues pruned to eliminate duplicates Z: 10 17.314 1.938 0.999 0.853 0.889 0.778 CB 1.238 Z: 44 41.764 2.237 0.676 0.637 0.977 0.744 CB 1.530 46 residues pruned to eliminate duplicates Z: 23 25.358 2.266 0.622 0.536 0.909 0.545 CB 1.562 25 residues pruned to eliminate duplicates Z: 18 20.898 1.918 0.500 0.901 1.000 0.882 CB 1.258 18 residues pruned to eliminate duplicates Z: 19 21.688 1.880 0.620 0.899 1.000 0.833 CB 1.199 19 residues pruned to eliminate duplicates Z: 62 36.691 2.099 0.641 0.615 0.918 0.590 CB 1.333 62 residues pruned to eliminate duplicates Z: 11 9.679 1.763 0.230 0.853 0.900 0.800 CB 1.159 10 residues pruned to eliminate duplicates Z: 8 12.569 2.052 0.167 0.876 1.000 0.857 CB 1.442 8 residues pruned to eliminate duplicates Z: 8 5.933 1.650 0.091 0.703 0.857 0.286 CA 1.208 8 residues pruned to eliminate duplicates Z: 6 10.925 2.146 0.431 0.861 0.800 0.800 CB 1.462 6 residues pruned to eliminate duplicates Z: 48 36.484 2.181 0.603 0.562 0.957 0.532 CB 1.498 47 residues pruned to eliminate duplicates Z: 105 59.701 2.240 0.608 0.560 0.962 0.625 CB 1.594 105 residues pruned to eliminate duplicates Z: 11 15.851 1.942 0.454 0.807 0.900 0.600 CA 1.509 11 residues pruned to eliminate duplicates Z: 13 15.275 2.097 0.393 0.889 0.833 0.417 CB 1.304 13 residues pruned to eliminate duplicates Z: 18 23.691 1.919 0.632 0.897 1.000 0.824 CA 1.314 Z: 8 10.886 2.020 1.081 0.634 0.714 0.714 CB 1.208 Z: 14 22.219 2.120 0.434 0.899 0.923 0.615 CA 1.569 14 residues pruned to eliminate duplicates Z: 19 22.542 1.806 0.656 0.925 1.000 0.778 CA 1.247 19 residues pruned to eliminate duplicates Z: 18 19.310 1.987 0.602 0.871 0.941 0.765 CB 1.140 18 residues pruned to eliminate duplicates Z: 24 21.430 2.221 0.625 0.541 0.913 0.522 CB 1.303 24 residues pruned to eliminate duplicates Z: 9 5.078 1.637 0.149 0.611 0.750 0.625 CB 1.146 9 residues pruned to eliminate duplicates Z: 9 9.810 1.647 0.452 0.666 1.000 0.500 CA 1.244 9 residues pruned to eliminate duplicates Z: 6 8.641 1.963 0.963 0.793 0.600 0.400 CA 1.292 6 residues pruned to eliminate duplicates Z: 66 28.462 2.042 0.456 0.549 0.877 0.600 CB 1.291 66 residues pruned to eliminate duplicates Z: 9 20.251 2.171 0.660 0.900 0.875 0.625 CA 1.622 9 residues pruned to eliminate duplicates Z: 24 22.760 2.246 0.526 0.538 0.957 0.609 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 23.468 2.239 0.588 0.606 0.913 0.652 CB 1.363 24 residues pruned to eliminate duplicates Z: 20 42.505 2.221 0.967 0.917 0.895 0.421 CB 1.761 20 residues pruned to eliminate duplicates Z: 18 22.072 1.920 0.530 0.903 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 16 23.354 2.184 0.664 0.839 0.800 0.600 CA 1.549 16 residues pruned to eliminate duplicates Z: 67 31.341 1.962 0.552 0.547 0.955 0.667 CB 1.268 67 residues pruned to eliminate duplicates Z: 16 18.927 1.882 0.378 0.889 1.000 0.867 CB 1.357 16 residues pruned to eliminate duplicates Z: 9 10.733 2.065 0.605 0.844 0.875 0.750 CA 0.973 9 residues pruned to eliminate duplicates Z: 121 57.481 2.218 0.566 0.583 0.925 0.583 CB 1.509 121 residues pruned to eliminate duplicates Z: 16 24.942 2.145 0.550 0.895 1.000 0.600 CB 1.389 16 residues pruned to eliminate duplicates Z: 21 32.022 2.177 0.496 0.897 0.950 0.650 CA 1.657 21 residues pruned to eliminate duplicates Z: 9 16.362 1.881 0.861 0.902 0.875 0.750 CA 1.347 9 residues pruned to eliminate duplicates Z: 20 40.985 2.251 1.018 0.929 0.895 0.474 CB 1.619 20 residues pruned to eliminate duplicates Z: 9 11.634 2.011 0.486 0.812 0.875 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 18 33.487 2.234 0.524 0.921 1.000 0.882 CB 1.679 18 residues pruned to eliminate duplicates Z: 8 10.016 2.028 0.672 0.820 0.857 0.714 CA 0.987 8 residues pruned to eliminate duplicates Z: 115 55.738 2.219 0.546 0.570 0.930 0.579 CB 1.529 115 residues pruned to eliminate duplicates Z: 14 9.030 1.828 0.177 0.779 0.846 0.308 CB 1.076 11 residues pruned to eliminate duplicates Z: 15 19.726 2.258 0.387 0.849 0.857 0.643 CA 1.456 15 residues pruned to eliminate duplicates Z: 14 15.124 1.965 0.768 0.536 0.769 0.538 CA 1.516 14 residues pruned to eliminate duplicates Z: 26 18.317 1.946 0.483 0.656 0.840 0.480 CB 1.307 27 residues pruned to eliminate duplicates Z: 30 33.218 2.167 0.659 0.595 0.931 0.655 CB 1.684 30 residues pruned to eliminate duplicates Z: 17 15.952 1.841 0.221 0.914 1.000 0.938 CB 1.254 Z: 20 23.350 2.149 0.163 0.930 0.947 0.684 CB 1.581 20 residues pruned to eliminate duplicates Z: 43 38.958 2.261 0.664 0.611 0.881 0.571 CB 1.632 43 residues pruned to eliminate duplicates Z: 11 18.738 2.090 0.679 0.792 1.000 0.900 CA 1.307 11 residues pruned to eliminate duplicates Z: 10 11.615 1.872 0.267 0.822 0.889 0.556 CA 1.390 10 residues pruned to eliminate duplicates Z: 19 19.811 1.835 0.599 0.908 0.944 0.889 CB 1.196 Z: 46 40.592 2.203 0.749 0.653 0.933 0.667 CB 1.459 44 residues pruned to eliminate duplicates Z: 19 19.865 1.887 0.498 0.869 0.944 0.889 CB 1.282 19 residues pruned to eliminate duplicates Z: 7 6.511 1.647 0.568 0.485 0.833 0.667 C 1.254 Z: 6 6.758 1.802 0.167 0.674 0.800 0.400 N 1.531 6 residues pruned to eliminate duplicates Z: 6 8.712 1.771 0.366 0.854 1.000 1.000 CA 1.190 6 residues pruned to eliminate duplicates Z: 10 19.046 2.012 0.675 0.890 1.000 0.889 CA 1.355 10 residues pruned to eliminate duplicates Z: 26 19.383 1.941 0.524 0.583 1.000 0.600 CB 1.210 Z: 10 17.758 1.847 1.121 0.900 1.000 0.889 CA 1.080 10 residues pruned to eliminate duplicates Z: 20 31.487 2.255 0.371 0.926 0.947 0.789 CB 1.730 20 residues pruned to eliminate duplicates Z: 9 23.926 1.968 1.142 0.916 1.000 0.875 CA 1.416 10 residues pruned to eliminate duplicates Z: 9 12.122 1.973 0.247 0.842 1.000 0.375 CB 1.298 9 residues pruned to eliminate duplicates Z: 11 11.711 1.816 0.443 0.850 0.900 0.700 CB 1.163 11 residues pruned to eliminate duplicates Z: 7 4.793 1.750 -0.008 0.690 0.667 0.500 CA 1.421 7 residues pruned to eliminate duplicates Z: 9 13.182 1.957 0.832 0.772 0.750 0.625 CB 1.362 9 residues pruned to eliminate duplicates Z: 18 23.169 1.869 0.589 0.916 1.000 0.765 CB 1.335 16 residues pruned to eliminate duplicates Z: 17 20.555 2.014 0.473 0.902 0.938 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 24 22.229 2.229 0.614 0.554 0.913 0.652 CB 1.339 24 residues pruned to eliminate duplicates Z: 16 16.174 1.902 0.152 0.891 1.000 0.867 CB 1.370 16 residues pruned to eliminate duplicates Z: 16 21.373 2.142 0.553 0.869 0.867 0.867 CB 1.398 16 residues pruned to eliminate duplicates Z: 38 35.142 2.202 0.687 0.616 0.946 0.622 CB 1.473 38 residues pruned to eliminate duplicates Z: 19 45.004 2.333 0.920 0.933 0.944 0.611 CB 1.750 19 residues pruned to eliminate duplicates Z: 17 20.403 2.000 0.706 0.874 0.875 0.625 CB 1.244 17 residues pruned to eliminate duplicates Z: 21 23.220 2.052 0.274 0.891 1.000 0.850 CB 1.427 21 residues pruned to eliminate duplicates Z: 18 21.538 1.911 0.560 0.919 1.000 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 6 4.993 1.675 0.419 0.675 1.000 0.400 CA 0.799 6 residues pruned to eliminate duplicates Z: 10 20.591 2.036 0.698 0.879 1.000 0.778 CA 1.440 10 residues pruned to eliminate duplicates Z: 20 31.634 2.198 0.457 0.923 0.947 0.842 CB 1.681 20 residues pruned to eliminate duplicates Z: 34 28.259 2.085 0.818 0.628 0.818 0.394 CB 1.407 34 residues pruned to eliminate duplicates Z: 6 5.346 2.004 -0.248 0.855 0.800 0.400 CA 1.464 6 residues pruned to eliminate duplicates Z: 9 9.335 2.004 -0.015 0.866 0.875 0.750 CA 1.398 9 residues pruned to eliminate duplicates Z: 21 32.165 2.168 0.573 0.921 0.950 0.600 CA 1.563 21 residues pruned to eliminate duplicates Z: 14 16.690 1.988 0.383 0.884 0.923 0.692 CB 1.318 15 residues pruned to eliminate duplicates Z: 40 36.690 2.265 0.675 0.507 0.974 0.641 CA 1.578 40 residues pruned to eliminate duplicates Z: 14 30.015 2.305 0.676 0.906 0.923 0.615 CA 1.660 14 residues pruned to eliminate duplicates Z: 10 5.941 1.865 -0.107 0.823 0.778 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 36 27.188 2.047 0.578 0.593 0.914 0.657 CB 1.424 36 residues pruned to eliminate duplicates Z: 12 10.529 1.723 0.320 0.764 0.909 0.545 CB 1.215 12 residues pruned to eliminate duplicates Z: 16 16.704 1.847 0.389 0.882 1.000 0.867 CB 1.216 16 residues pruned to eliminate duplicates Z: 13 13.993 2.150 0.395 0.880 0.917 0.417 CB 1.065 13 residues pruned to eliminate duplicates Z: 20 18.971 1.776 0.582 0.916 0.947 0.789 CA 1.155 20 residues pruned to eliminate duplicates Z: 20 33.999 2.207 0.691 0.916 1.000 0.632 CB 1.476 20 residues pruned to eliminate duplicates Z: 14 15.579 1.965 0.626 0.552 0.923 0.769 CA 1.393 14 residues pruned to eliminate duplicates Z: 7 8.663 2.049 0.649 0.755 0.667 0.500 CA 1.251 7 residues pruned to eliminate duplicates Z: 18 24.457 1.939 0.674 0.906 1.000 0.882 CB 1.300 18 residues pruned to eliminate duplicates Z: 136 61.074 2.184 0.637 0.567 0.911 0.578 CB 1.513 132 residues pruned to eliminate duplicates Z: 21 29.679 2.140 0.369 0.889 1.000 0.650 CB 1.631 21 residues pruned to eliminate duplicates Z: 9 19.507 2.119 0.435 0.892 1.000 0.875 CA 1.630 9 residues pruned to eliminate duplicates Z: 7 5.457 1.629 0.386 0.621 0.833 0.667 CA 1.056 Z: 20 27.556 2.200 0.305 0.924 0.895 0.789 CB 1.728 20 residues pruned to eliminate duplicates Z: 32 29.187 2.223 0.708 0.453 0.935 0.516 CA 1.548 32 residues pruned to eliminate duplicates Z: 8 16.271 2.208 0.617 0.804 1.000 0.714 CB 1.321 8 residues pruned to eliminate duplicates Z: 8 8.461 1.760 0.145 0.825 1.000 0.429 CA 1.198 8 residues pruned to eliminate duplicates Z: 16 19.553 1.954 0.419 0.861 0.933 0.733 CB 1.433 16 residues pruned to eliminate duplicates Z: 20 37.268 2.176 0.773 0.931 0.947 0.526 CA 1.634 20 residues pruned to eliminate duplicates Z: 141 66.005 2.241 0.534 0.610 0.950 0.614 CB 1.538 141 residues pruned to eliminate duplicates Z: 99 53.424 2.229 0.603 0.566 0.898 0.622 CB 1.579 99 residues pruned to eliminate duplicates Z: 19 21.004 1.846 0.612 0.910 1.000 1.000 CB 1.180 19 residues pruned to eliminate duplicates Z: 32 19.571 1.791 0.788 0.659 0.806 0.548 CB 1.174 19 residues pruned to eliminate duplicates Z: 9 16.790 1.972 0.603 0.833 1.000 0.875 CB 1.409 9 residues pruned to eliminate duplicates Z: 8 27.278 2.133 1.314 0.911 1.000 1.000 CB 1.480 9 residues pruned to eliminate duplicates Z: 7 3.277 1.681 -0.131 0.851 1.000 1.000 CB 0.678 7 residues pruned to eliminate duplicates Z: 16 14.376 2.092 0.057 0.899 0.933 0.867 CB 1.285 16 residues pruned to eliminate duplicates Z: 16 19.430 1.994 0.381 0.888 0.933 0.733 CB 1.406 16 residues pruned to eliminate duplicates Z: 24 22.948 2.242 0.635 0.554 0.870 0.609 CB 1.424 24 residues pruned to eliminate duplicates Z: 7 9.392 1.828 0.400 0.761 1.000 0.500 CB 1.188 7 residues pruned to eliminate duplicates Z: 18 23.558 1.921 0.676 0.907 1.000 0.706 CB 1.261 18 residues pruned to eliminate duplicates Z: 35 24.575 2.101 0.546 0.529 0.853 0.559 CB 1.478 30 residues pruned to eliminate duplicates Z: 17 22.462 1.876 0.576 0.919 1.000 0.750 CB 1.338 16 residues pruned to eliminate duplicates Z: 35 17.774 1.896 0.568 0.457 0.971 0.500 CB 1.103 21 residues pruned to eliminate duplicates Z: 8 7.953 1.780 0.120 0.863 1.000 0.714 CB 1.107 8 residues pruned to eliminate duplicates Z: 57 40.602 2.148 0.732 0.589 0.929 0.661 CB 1.442 57 residues pruned to eliminate duplicates Z: 9 19.690 1.964 0.830 0.892 1.000 0.875 CA 1.392 10 residues pruned to eliminate duplicates Z: 10 17.965 2.185 0.527 0.872 1.000 0.444 CB 1.308 10 residues pruned to eliminate duplicates Z: 9 22.550 2.050 0.733 0.894 1.000 0.750 CA 1.611 9 residues pruned to eliminate duplicates Z: 8 10.839 1.963 0.403 0.864 1.000 0.857 CB 1.091 8 residues pruned to eliminate duplicates Z: 10 15.748 1.870 1.137 0.663 0.889 0.667 CB 1.271 8 residues pruned to eliminate duplicates Z: 12 7.597 1.877 0.559 0.440 0.727 0.545 CB 1.145 12 residues pruned to eliminate duplicates Z: 14 26.478 2.335 0.367 0.857 1.000 0.769 CA 1.695 14 residues pruned to eliminate duplicates Z: 10 10.947 1.879 0.655 0.812 1.000 0.889 CA 0.894 10 residues pruned to eliminate duplicates Z: 109 64.759 2.237 0.700 0.577 0.991 0.620 CB 1.536 109 residues pruned to eliminate duplicates Z: 70 40.367 2.023 0.673 0.602 0.971 0.609 CB 1.342 45 residues pruned to eliminate duplicates Z: 17 39.917 2.260 0.814 0.923 1.000 0.812 CB 1.712 17 residues pruned to eliminate duplicates Z: 11 15.666 1.943 0.704 0.623 0.900 0.900 CA 1.480 11 residues pruned to eliminate duplicates Z: 10 20.623 2.139 0.512 0.854 1.000 1.000 CA 1.570 10 residues pruned to eliminate duplicates Z: 13 13.274 1.931 0.655 0.514 0.917 0.583 CB 1.290 13 residues pruned to eliminate duplicates Z: 47 39.399 2.168 0.741 0.610 0.957 0.609 CB 1.450 47 residues pruned to eliminate duplicates Z: 17 19.859 2.017 0.531 0.898 0.875 0.625 CB 1.314 17 residues pruned to eliminate duplicates Z: 11 9.471 1.892 0.209 0.861 1.000 0.500 CB 0.962 Z: 55 39.563 2.181 0.671 0.603 0.944 0.648 CB 1.418 55 residues pruned to eliminate duplicates Z: 46 35.522 2.144 0.635 0.510 0.933 0.644 CB 1.602 46 residues pruned to eliminate duplicates Z: 16 20.681 2.124 0.626 0.858 0.933 0.800 CB 1.220 16 residues pruned to eliminate duplicates Z: 13 14.624 1.895 0.741 0.622 0.833 0.500 CA 1.369 13 residues pruned to eliminate duplicates Z: 54 32.973 2.116 0.628 0.596 0.887 0.566 CB 1.353 54 residues pruned to eliminate duplicates Z: 18 22.667 1.886 0.721 0.891 1.000 0.647 CB 1.218 18 residues pruned to eliminate duplicates Z: 11 19.489 1.825 0.800 0.919 1.000 1.000 CB 1.322 11 residues pruned to eliminate duplicates Z: 10 20.003 1.964 0.840 0.853 1.000 0.778 CA 1.364 10 residues pruned to eliminate duplicates Z: 46 32.437 2.185 0.576 0.574 0.889 0.644 CB 1.471 46 residues pruned to eliminate duplicates Z: 10 5.865 2.009 -0.126 0.784 0.778 0.444 CB 1.115 10 residues pruned to eliminate duplicates Z: 10 20.592 2.014 0.707 0.884 1.000 0.889 CA 1.443 10 residues pruned to eliminate duplicates Z: 9 21.959 2.110 0.621 0.903 1.000 0.875 CB 1.617 9 residues pruned to eliminate duplicates Z: 9 18.950 1.956 0.888 0.865 1.000 0.500 CA 1.329 9 residues pruned to eliminate duplicates Z: 20 40.635 2.264 0.782 0.921 0.947 0.579 CA 1.716 20 residues pruned to eliminate duplicates Z: 33 24.841 2.093 0.518 0.575 0.906 0.656 CB 1.418 28 residues pruned to eliminate duplicates Z: 8 8.333 1.951 0.498 0.753 0.857 0.714 CB 1.003 6 residues pruned to eliminate duplicates Z: 17 24.201 1.956 0.689 0.913 1.000 0.875 CB 1.296 17 residues pruned to eliminate duplicates Z: 135 67.395 2.244 0.699 0.606 0.910 0.560 CB 1.517 135 residues pruned to eliminate duplicates Z: 12 12.248 2.240 0.261 0.875 0.909 0.545 CB 1.046 12 residues pruned to eliminate duplicates Z: 10 3.822 1.397 0.225 0.363 0.778 0.222 O 1.109 Z: 100 56.027 2.211 0.685 0.547 0.929 0.606 CB 1.553 100 residues pruned to eliminate duplicates Z: 24 22.985 2.233 0.487 0.568 0.957 0.652 CB 1.412 23 residues pruned to eliminate duplicates Z: 14 19.930 1.946 1.067 0.651 0.923 0.538 CA 1.293 13 residues pruned to eliminate duplicates Z: 11 10.900 1.708 0.388 0.737 0.900 0.500 CB 1.306 11 residues pruned to eliminate duplicates Z: 18 20.070 1.858 0.438 0.870 1.000 0.824 CB 1.330 18 residues pruned to eliminate duplicates Z: 10 15.498 2.195 0.251 0.844 1.000 0.889 CA 1.399 10 residues pruned to eliminate duplicates Z: 6 7.198 1.685 0.162 0.750 1.000 0.600 CB 1.315 6 residues pruned to eliminate duplicates Z: 7 8.345 2.151 0.196 0.754 1.000 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 7 7.337 2.083 0.727 0.611 0.667 0.667 CB 1.125 7 residues pruned to eliminate duplicates Z: 24 22.676 1.798 0.830 0.759 0.913 0.652 CB 1.250 23 residues pruned to eliminate duplicates Z: 7 8.544 1.957 0.175 0.898 1.000 0.833 CA 1.086 7 residues pruned to eliminate duplicates Z: 18 20.312 1.880 0.595 0.896 1.000 0.941 CB 1.177 18 residues pruned to eliminate duplicates Z: 16 19.901 1.945 0.464 0.899 1.000 0.667 CB 1.289 16 residues pruned to eliminate duplicates Z: 7 7.223 1.831 0.097 0.813 1.000 0.667 CB 1.118 Z: 11 12.601 1.733 0.586 0.780 0.900 0.800 CA 1.259 15 residues pruned to eliminate duplicates Z: 8 6.344 1.690 0.364 0.701 0.857 0.571 CB 1.010 8 residues pruned to eliminate duplicates Z: 7 4.451 1.983 0.146 0.404 0.667 0.333 CB 1.327 7 residues pruned to eliminate duplicates Z: 9 18.611 2.076 0.569 0.854 1.000 0.875 CB 1.492 9 residues pruned to eliminate duplicates Z: 9 10.774 2.022 0.265 0.836 0.875 0.750 CA 1.274 9 residues pruned to eliminate duplicates Z: 102 61.763 2.229 0.639 0.606 0.970 0.574 CB 1.568 99 residues pruned to eliminate duplicates Z: 20 39.655 2.219 0.779 0.951 0.947 0.632 CB 1.676 20 residues pruned to eliminate duplicates Z: 60 50.070 2.250 0.764 0.656 0.932 0.610 CB 1.524 60 residues pruned to eliminate duplicates Z: 7 11.531 2.030 0.485 0.757 1.000 0.667 CB 1.243 7 residues pruned to eliminate duplicates Z: 71 40.790 2.124 0.599 0.545 0.886 0.543 CA 1.552 71 residues pruned to eliminate duplicates Z: 9 24.984 2.061 0.840 0.915 1.000 0.625 CA 1.647 9 residues pruned to eliminate duplicates Z: 10 17.942 1.883 0.870 0.874 1.000 0.667 CA 1.236 10 residues pruned to eliminate duplicates Z: 9 20.553 2.097 0.623 0.854 1.000 0.500 CA 1.577 9 residues pruned to eliminate duplicates Z: 6 8.937 1.749 0.439 0.620 1.000 0.600 CB 1.418 6 residues pruned to eliminate duplicates Z: 33 29.972 2.172 0.533 0.537 0.938 0.562 CB 1.637 33 residues pruned to eliminate duplicates Z: 62 39.383 2.174 0.618 0.582 0.934 0.656 CB 1.417 62 residues pruned to eliminate duplicates Z: 19 28.344 2.260 0.269 0.932 0.944 0.833 CB 1.722 19 residues pruned to eliminate duplicates Z: 12 17.755 1.997 0.601 0.648 1.000 0.818 CB 1.459 12 residues pruned to eliminate duplicates Z: 34 22.023 1.907 0.629 0.505 1.000 0.727 CB 1.229 26 residues pruned to eliminate duplicates Z: 18 23.322 1.905 0.725 0.912 1.000 1.000 CB 1.219 18 residues pruned to eliminate duplicates Z: 10 10.011 1.842 0.259 0.818 0.889 0.556 CA 1.228 10 residues pruned to eliminate duplicates Z: 15 14.128 1.826 0.377 0.804 1.000 0.571 CB 1.152 Z: 10 10.509 1.739 0.355 0.838 1.000 0.667 CB 1.110 10 residues pruned to eliminate duplicates Z: 17 18.678 2.071 0.413 0.880 0.875 0.812 CB 1.321 17 residues pruned to eliminate duplicates Z: 11 10.695 1.776 0.317 0.820 1.000 0.600 CB 1.095 11 residues pruned to eliminate duplicates Z: 17 11.817 2.108 0.512 0.570 0.812 0.562 CB 1.066 17 residues pruned to eliminate duplicates Z: 25 18.718 2.031 0.588 0.564 0.875 0.542 CB 1.272 25 residues pruned to eliminate duplicates Z: 19 24.298 1.867 0.665 0.945 1.000 0.833 CB 1.275 19 residues pruned to eliminate duplicates Z: 16 17.437 1.863 0.265 0.901 1.000 0.867 CB 1.363 16 residues pruned to eliminate duplicates Z: 7 12.975 2.100 0.947 0.722 0.833 0.833 CB 1.272 7 residues pruned to eliminate duplicates Z: 66 34.487 2.089 0.488 0.603 0.938 0.615 CB 1.329 66 residues pruned to eliminate duplicates Z: 17 18.421 1.886 0.381 0.869 0.938 0.812 CB 1.378 17 residues pruned to eliminate duplicates Z: 14 16.147 2.183 0.402 0.587 1.000 0.692 CB 1.345 14 residues pruned to eliminate duplicates Z: 43 34.915 2.225 0.577 0.598 0.952 0.643 CB 1.469 43 residues pruned to eliminate duplicates Z: 9 8.288 1.811 0.224 0.863 1.000 0.625 CA 0.970 8 residues pruned to eliminate duplicates Z: 9 19.589 2.070 0.939 0.847 1.000 0.625 CA 1.281 9 residues pruned to eliminate duplicates Z: 24 20.784 2.237 0.562 0.546 0.870 0.652 CB 1.363 24 residues pruned to eliminate duplicates Z: 78 38.742 2.103 0.605 0.571 0.883 0.623 CB 1.382 78 residues pruned to eliminate duplicates Z: 73 40.959 2.164 0.510 0.603 0.944 0.639 CB 1.417 73 residues pruned to eliminate duplicates Z: 6 3.494 1.445 -0.082 0.647 1.000 1.000 N 1.026 Z: 11 10.261 1.815 0.111 0.869 1.000 0.600 CB 1.176 14 residues pruned to eliminate duplicates Z: 9 17.930 1.965 0.605 0.771 1.000 0.875 CB 1.582 9 residues pruned to eliminate duplicates Z: 105 47.151 2.186 0.511 0.540 0.894 0.577 CB 1.505 105 residues pruned to eliminate duplicates Z: 16 20.888 1.987 0.537 0.920 1.000 0.800 CB 1.244 16 residues pruned to eliminate duplicates Z: 121 52.184 2.203 0.505 0.560 0.883 0.600 CB 1.535 121 residues pruned to eliminate duplicates Z: 10 7.131 1.866 0.183 0.781 0.889 0.444 CB 0.946 10 residues pruned to eliminate duplicates Z: 25 18.939 2.176 0.500 0.537 0.917 0.583 CB 1.246 25 residues pruned to eliminate duplicates Z: 18 16.472 1.812 0.352 0.936 0.941 0.882 CB 1.207 18 residues pruned to eliminate duplicates Z: 18 23.126 1.932 0.631 0.918 1.000 0.882 CB 1.256 18 residues pruned to eliminate duplicates Z: 8 9.188 1.856 0.330 0.742 1.000 0.286 CB 1.132 8 residues pruned to eliminate duplicates Z: 24 35.497 2.186 0.884 0.802 0.913 0.391 CB 1.512 24 residues pruned to eliminate duplicates Z: 15 21.001 2.178 0.269 0.894 0.929 0.571 CA 1.569 15 residues pruned to eliminate duplicates Z: 54 37.364 2.035 0.772 0.688 0.906 0.528 CB 1.323 56 residues pruned to eliminate duplicates Z: 9 8.529 1.845 0.106 0.847 1.000 0.625 CB 1.097 9 residues pruned to eliminate duplicates Z: 47 34.838 2.256 0.582 0.494 0.957 0.543 CA 1.515 47 residues pruned to eliminate duplicates Z: 34 18.164 1.937 0.469 0.511 0.939 0.576 CB 1.170 34 residues pruned to eliminate duplicates Z: 24 22.472 2.249 0.427 0.581 0.957 0.609 CB 1.412 24 residues pruned to eliminate duplicates Z: 26 29.973 2.110 0.617 0.770 0.920 0.600 CB 1.503 26 residues pruned to eliminate duplicates Z: 61 42.218 2.261 0.535 0.557 0.900 0.550 CA 1.651 61 residues pruned to eliminate duplicates Z: 45 33.046 2.168 0.553 0.639 0.955 0.773 CB 1.362 45 residues pruned to eliminate duplicates Z: 17 15.594 2.014 0.282 0.865 0.875 0.875 CB 1.264 17 residues pruned to eliminate duplicates Z: 6 5.008 1.514 0.644 0.647 0.800 0.400 CA 0.980 6 residues pruned to eliminate duplicates Z: 9 12.320 1.877 0.301 0.879 1.000 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 8 9.027 1.950 0.478 0.810 0.857 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 6 8.595 1.896 0.243 0.674 1.000 0.400 CB 1.389 7 residues pruned to eliminate duplicates Z: 24 30.613 2.305 0.782 0.656 0.957 0.522 CA 1.406 24 residues pruned to eliminate duplicates Z: 12 21.727 1.984 0.797 0.921 1.000 0.727 CB 1.293 12 residues pruned to eliminate duplicates Z: 20 29.953 2.196 0.607 0.924 0.842 0.526 CB 1.624 20 residues pruned to eliminate duplicates Z: 32 33.130 2.098 0.774 0.718 0.935 0.323 CB 1.404 32 residues pruned to eliminate duplicates Z: 17 19.023 2.070 0.291 0.909 1.000 0.812 CB 1.263 17 residues pruned to eliminate duplicates Z: 7 2.055 1.634 -0.255 0.628 0.833 0.333 CB 0.734 Z: 8 9.815 2.139 0.218 0.818 0.857 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 7 8.820 1.943 0.822 0.304 1.000 0.667 CA 1.266 7 residues pruned to eliminate duplicates Z: 19 19.053 1.862 0.485 0.925 0.944 0.778 CB 1.207 19 residues pruned to eliminate duplicates Z: 83 63.738 2.263 0.759 0.619 0.976 0.610 CB 1.620 83 residues pruned to eliminate duplicates Z: 9 13.711 2.127 0.457 0.782 0.875 0.625 CA 1.395 9 residues pruned to eliminate duplicates Z: 9 10.845 1.827 0.782 0.777 0.750 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 8 8.327 1.793 0.351 0.836 1.000 0.714 CA 0.972 8 residues pruned to eliminate duplicates Z: 9 17.031 2.005 0.618 0.858 1.000 0.500 CB 1.366 9 residues pruned to eliminate duplicates Z: 12 13.452 2.165 -0.065 0.887 1.000 1.000 CB 1.444 12 residues pruned to eliminate duplicates Z: 10 8.219 1.693 0.329 0.706 0.778 0.556 C 1.298 10 residues pruned to eliminate duplicates Z: 34 19.283 2.027 0.444 0.557 0.848 0.545 CB 1.279 34 residues pruned to eliminate duplicates Z: 10 9.285 1.959 0.627 0.531 0.778 0.667 CB 1.210 9 residues pruned to eliminate duplicates Z: 9 19.015 2.007 0.738 0.868 1.000 0.875 CB 1.408 9 residues pruned to eliminate duplicates Z: 9 18.730 2.006 0.777 0.860 1.000 0.875 CA 1.366 9 residues pruned to eliminate duplicates Z: 17 16.190 1.847 0.375 0.887 0.875 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 10 10.402 2.060 0.149 0.556 1.000 0.667 CB 1.387 10 residues pruned to eliminate duplicates Z: 14 21.071 2.029 0.533 0.905 1.000 0.692 CB 1.337 14 residues pruned to eliminate duplicates Z: 11 8.413 1.779 0.209 0.831 0.900 0.400 CB 1.033 11 residues pruned to eliminate duplicates Z: 17 17.531 1.853 0.229 0.885 1.000 0.688 CB 1.389 17 residues pruned to eliminate duplicates Z: 10 17.584 1.849 0.723 0.869 0.889 0.778 CA 1.512 10 residues pruned to eliminate duplicates Z: 7 9.772 2.181 0.364 0.779 0.833 0.500 CA 1.258 7 residues pruned to eliminate duplicates Z: 13 11.611 1.867 0.380 0.759 1.000 0.500 CB 1.034 11 residues pruned to eliminate duplicates Z: 23 14.120 1.808 0.517 0.657 0.909 0.591 CB 1.043 13 residues pruned to eliminate duplicates Z: 23 23.882 2.236 0.507 0.578 0.909 0.682 CB 1.541 23 residues pruned to eliminate duplicates Z: 7 8.670 1.779 0.633 0.774 0.833 0.500 CB 1.148 7 residues pruned to eliminate duplicates Z: 18 19.748 1.887 0.474 0.894 1.000 0.765 CB 1.235 18 residues pruned to eliminate duplicates Z: 20 29.985 2.179 0.446 0.924 0.947 0.789 CB 1.618 20 residues pruned to eliminate duplicates Z: 23 19.527 2.107 0.577 0.443 0.955 0.545 CA 1.392 23 residues pruned to eliminate duplicates Z: 108 44.052 1.993 0.595 0.564 0.991 0.607 CB 1.271 108 residues pruned to eliminate duplicates Z: 8 13.891 2.020 0.893 0.741 0.857 0.857 CB 1.291 8 residues pruned to eliminate duplicates Z: 20 23.011 1.794 0.660 0.927 1.000 0.947 CB 1.242 21 residues pruned to eliminate duplicates Z: 85 58.688 2.218 0.698 0.611 0.964 0.536 CB 1.587 85 residues pruned to eliminate duplicates Z: 94 53.813 2.221 0.652 0.559 0.914 0.581 CB 1.572 94 residues pruned to eliminate duplicates Z: 18 19.621 1.850 0.415 0.878 1.000 0.765 CB 1.318 18 residues pruned to eliminate duplicates Z: 16 20.312 2.061 0.457 0.892 0.933 0.867 CA 1.344 16 residues pruned to eliminate duplicates Z: 19 22.858 1.804 0.682 0.933 1.000 0.889 CB 1.239 19 residues pruned to eliminate duplicates Z: 17 20.175 1.936 0.541 0.936 1.000 0.500 CB 1.178 17 residues pruned to eliminate duplicates Z: 17 13.671 2.044 0.420 0.529 0.875 0.625 CB 1.307 17 residues pruned to eliminate duplicates Z: 22 17.745 1.954 0.378 0.694 0.857 0.762 CA 1.406 22 residues pruned to eliminate duplicates Z: 9 11.324 1.982 0.361 0.757 0.875 0.375 CA 1.348 9 residues pruned to eliminate duplicates Z: 9 15.850 2.049 0.321 0.850 1.000 0.875 CA 1.534 9 residues pruned to eliminate duplicates Z: 6 9.137 2.195 0.249 0.817 1.000 0.800 CB 1.132 6 residues pruned to eliminate duplicates Z: 17 21.512 2.070 0.674 0.879 0.875 0.562 CB 1.287 17 residues pruned to eliminate duplicates Z: 35 38.072 2.204 0.639 0.679 0.971 0.618 CB 1.579 35 residues pruned to eliminate duplicates Z: 9 16.492 2.180 0.418 0.896 1.000 0.875 CA 1.352 9 residues pruned to eliminate duplicates Z: 20 20.543 2.202 0.342 0.578 0.947 0.684 CA 1.561 20 residues pruned to eliminate duplicates Z: 145 63.606 2.198 0.620 0.586 0.910 0.528 CB 1.506 145 residues pruned to eliminate duplicates Z: 11 10.573 1.705 0.149 0.868 1.000 0.700 CB 1.247 11 residues pruned to eliminate duplicates Z: 25 23.964 2.205 0.702 0.542 0.917 0.667 CB 1.365 25 residues pruned to eliminate duplicates Z: 8 9.211 1.997 0.393 0.833 1.000 0.714 CA 0.938 8 residues pruned to eliminate duplicates Z: 16 21.809 2.148 0.313 0.860 1.000 0.800 CA 1.469 16 residues pruned to eliminate duplicates Z: 17 18.326 1.854 0.399 0.928 1.000 0.688 CB 1.238 17 residues pruned to eliminate duplicates Z: 18 15.547 1.812 0.557 0.898 0.824 0.529 CB 1.161 18 residues pruned to eliminate duplicates Z: 59 37.221 2.164 0.503 0.591 0.897 0.603 CB 1.536 59 residues pruned to eliminate duplicates Z: 14 17.697 1.919 0.846 0.574 1.000 0.462 CA 1.290 14 residues pruned to eliminate duplicates Z: 6 6.082 2.022 0.019 0.731 1.000 0.600 CB 1.072 6 residues pruned to eliminate duplicates Z: 6 4.967 1.901 -0.073 0.867 1.000 1.000 CB 0.922 6 residues pruned to eliminate duplicates Z: 7 8.599 2.052 0.548 0.507 0.833 0.667 CA 1.316 6 residues pruned to eliminate duplicates Z: 8 3.097 1.593 0.037 0.482 0.857 0.429 CB 0.842 Z: 19 17.432 1.771 0.341 0.935 1.000 0.944 CB 1.205 19 residues pruned to eliminate duplicates Z: 15 18.829 1.907 0.383 0.915 1.000 0.857 CB 1.349 15 residues pruned to eliminate duplicates Z: 6 3.834 1.799 -0.247 0.451 1.000 0.600 CB 1.330 Z: 46 34.401 2.191 0.550 0.591 0.933 0.533 CB 1.483 46 residues pruned to eliminate duplicates Z: 8 5.470 1.383 0.631 0.507 0.857 0.571 CA 1.062 8 residues pruned to eliminate duplicates Z: 10 10.142 1.749 0.385 0.828 0.889 0.667 CB 1.182 10 residues pruned to eliminate duplicates Z: 21 27.703 1.767 0.990 0.912 1.000 0.700 CA 1.248 30 residues pruned to eliminate duplicates Z: 56 35.382 2.232 0.463 0.514 0.873 0.545 CB 1.651 56 residues pruned to eliminate duplicates Z: 18 21.751 1.859 0.582 0.876 1.000 0.529 CB 1.304 18 residues pruned to eliminate duplicates Z: 16 16.439 1.920 0.336 0.886 0.933 0.733 CB 1.279 16 residues pruned to eliminate duplicates Z: 8 8.444 1.601 0.304 0.719 1.000 0.714 CA 1.254 6 residues pruned to eliminate duplicates Z: 8 8.535 1.713 0.327 0.779 1.000 0.714 CB 1.110 7 residues pruned to eliminate duplicates Z: 9 6.307 1.648 0.139 0.757 0.875 0.750 CA 1.080 9 residues pruned to eliminate duplicates Z: 20 24.609 1.822 0.711 0.940 1.000 0.632 CB 1.257 18 residues pruned to eliminate duplicates Z: 21 29.667 2.143 0.495 0.899 0.900 0.650 CB 1.645 21 residues pruned to eliminate duplicates Z: 19 21.351 1.767 0.726 0.912 1.000 0.556 CB 1.169 19 residues pruned to eliminate duplicates Z: 7 7.398 1.744 0.339 0.899 1.000 1.000 CB 0.924 7 residues pruned to eliminate duplicates Z: 11 23.532 1.833 1.108 0.899 1.000 0.900 CB 1.376 9 residues pruned to eliminate duplicates Z: 7 8.743 1.838 0.366 0.824 1.000 0.833 CB 1.074 7 residues pruned to eliminate duplicates Z: 20 23.845 1.848 0.839 0.908 1.000 0.474 CB 1.143 20 residues pruned to eliminate duplicates Z: 20 27.501 2.217 0.401 0.868 0.895 0.684 CB 1.659 20 residues pruned to eliminate duplicates Z: 36 23.106 1.814 0.639 0.704 0.914 0.629 CB 1.193 28 residues pruned to eliminate duplicates Z: 37 27.301 2.203 0.454 0.507 0.917 0.528 CA 1.540 37 residues pruned to eliminate duplicates Z: 15 23.160 2.258 0.408 0.859 0.929 0.786 CA 1.543 15 residues pruned to eliminate duplicates Z: 17 22.916 2.058 0.587 0.849 0.938 0.812 CB 1.387 17 residues pruned to eliminate duplicates Z: 93 58.496 2.224 0.670 0.571 0.978 0.641 CB 1.567 93 residues pruned to eliminate duplicates Z: 62 35.129 2.086 0.545 0.587 0.951 0.672 CB 1.350 62 residues pruned to eliminate duplicates Z: 14 17.567 2.086 0.303 0.894 0.923 0.538 CA 1.393 14 residues pruned to eliminate duplicates Z: 10 23.666 2.076 0.831 0.843 1.000 0.556 CA 1.545 10 residues pruned to eliminate duplicates Z: 83 53.537 2.246 0.539 0.614 0.963 0.646 CB 1.595 83 residues pruned to eliminate duplicates Z: 6 14.137 2.052 0.642 0.859 1.000 1.000 CB 1.380 6 residues pruned to eliminate duplicates Z: 8 9.477 2.010 0.392 0.868 1.000 1.000 CA 0.935 8 residues pruned to eliminate duplicates Z: 118 53.799 2.154 0.596 0.546 0.932 0.538 CB 1.485 118 residues pruned to eliminate duplicates Z: 6 4.387 1.432 0.531 0.830 1.000 0.600 CB 0.673 4 residues pruned to eliminate duplicates Z: 8 9.716 1.973 0.371 0.838 1.000 0.857 CB 1.015 8 residues pruned to eliminate duplicates Z: 20 27.375 2.175 0.332 0.908 0.947 0.737 CA 1.626 20 residues pruned to eliminate duplicates Z: 16 25.088 2.155 0.707 0.896 0.933 0.733 CB 1.351 16 residues pruned to eliminate duplicates Z: 16 17.055 1.911 0.430 0.884 0.933 0.600 CB 1.247 16 residues pruned to eliminate duplicates Z: 8 8.910 2.095 0.223 0.785 0.857 0.429 CB 1.194 8 residues pruned to eliminate duplicates Z: 18 26.770 1.884 0.945 0.938 1.000 0.588 CB 1.232 18 residues pruned to eliminate duplicates Z: 136 73.784 2.252 0.740 0.609 0.933 0.585 CB 1.566 136 residues pruned to eliminate duplicates Z: 29 26.959 2.052 0.661 0.678 0.964 0.750 CB 1.316 29 residues pruned to eliminate duplicates Z: 7 8.725 1.863 0.158 0.846 1.000 0.833 CA 1.227 7 residues pruned to eliminate duplicates Z: 7 4.020 2.025 0.042 0.847 0.667 0.333 CB 0.866 7 residues pruned to eliminate duplicates Z: 25 26.331 2.270 0.593 0.604 0.958 0.583 CA 1.404 25 residues pruned to eliminate duplicates Z: 13 27.140 2.419 0.865 0.649 0.917 0.667 CA 1.649 13 residues pruned to eliminate duplicates Z: 11 6.611 1.860 0.076 0.746 0.800 0.300 CB 1.047 11 residues pruned to eliminate duplicates Z: 6 5.256 1.677 0.286 0.613 1.000 0.600 CB 0.979 6 residues pruned to eliminate duplicates Z: 9 11.115 1.786 0.565 0.907 1.000 0.750 CA 0.999 9 residues pruned to eliminate duplicates Z: 10 11.087 1.912 0.315 0.795 0.889 0.444 CB 1.277 9 residues pruned to eliminate duplicates Z: 21 21.805 1.799 0.534 0.892 1.000 0.800 CA 1.269 21 residues pruned to eliminate duplicates Z: 19 18.503 1.835 0.605 0.930 1.000 0.722 CB 1.036 19 residues pruned to eliminate duplicates Z: 17 21.639 1.867 0.665 0.913 1.000 0.688 CB 1.232 17 residues pruned to eliminate duplicates Z: 24 27.156 2.231 0.693 0.592 0.957 0.652 CB 1.435 24 residues pruned to eliminate duplicates Z: 9 20.397 1.985 0.961 0.901 1.000 1.000 CA 1.322 9 residues pruned to eliminate duplicates Z: 7 12.230 1.808 0.552 0.842 1.000 1.000 CA 1.326 8 residues pruned to eliminate duplicates Z: 30 33.114 2.321 0.653 0.547 0.966 0.586 CA 1.585 30 residues pruned to eliminate duplicates Z: 13 8.276 1.806 0.177 0.702 0.917 0.500 CB 1.020 13 residues pruned to eliminate duplicates Z: 7 6.550 1.660 0.711 0.514 0.833 0.667 CB 1.114 7 residues pruned to eliminate duplicates Z: 17 26.531 1.905 0.905 0.940 1.000 0.875 CB 1.269 17 residues pruned to eliminate duplicates Z: 10 8.673 1.658 0.472 0.855 1.000 0.556 CB 0.875 10 residues pruned to eliminate duplicates Z: 23 24.580 2.242 0.507 0.569 0.955 0.682 CB 1.520 23 residues pruned to eliminate duplicates Z: 20 15.799 1.728 0.859 0.444 0.895 0.421 CB 1.337 20 residues pruned to eliminate duplicates Z: 17 20.014 1.870 0.571 0.927 0.938 0.750 CB 1.272 17 residues pruned to eliminate duplicates Z: 24 18.263 2.094 0.604 0.436 0.826 0.391 CA 1.466 24 residues pruned to eliminate duplicates Z: 9 5.002 1.584 0.173 0.891 1.000 0.875 CB 0.684 9 residues pruned to eliminate duplicates Z: 55 40.163 2.184 0.536 0.614 0.944 0.574 CB 1.548 56 residues pruned to eliminate duplicates Z: 16 19.104 2.109 0.187 0.886 1.000 0.800 CA 1.421 16 residues pruned to eliminate duplicates Z: 7 8.201 1.674 0.294 0.902 1.000 1.000 CB 1.102 7 residues pruned to eliminate duplicates Z: 10 9.788 1.740 0.458 0.844 0.778 0.556 CB 1.230 10 residues pruned to eliminate duplicates Z: 17 19.189 2.031 0.386 0.845 0.938 0.625 CB 1.351 17 residues pruned to eliminate duplicates Z: 6 5.347 1.721 0.592 0.657 0.800 0.800 CB 0.943 6 residues pruned to eliminate duplicates Z: 18 17.559 2.001 0.497 0.848 0.882 0.647 CB 1.195 18 residues pruned to eliminate duplicates Z: 78 39.095 2.098 0.631 0.551 0.948 0.584 CB 1.307 78 residues pruned to eliminate duplicates Z: 118 62.138 2.225 0.593 0.587 0.949 0.607 CB 1.572 118 residues pruned to eliminate duplicates Z: 12 8.257 1.605 0.309 0.852 0.909 0.636 CB 0.964 12 residues pruned to eliminate duplicates Z: 12 13.918 1.858 0.919 0.680 0.818 0.818 CB 1.219 6 residues pruned to eliminate duplicates Z: 121 58.447 2.201 0.612 0.569 0.933 0.592 CB 1.507 121 residues pruned to eliminate duplicates Z: 6 5.271 1.747 -0.094 0.862 1.000 1.000 CB 1.093 6 residues pruned to eliminate duplicates Z: 18 15.104 1.829 0.154 0.898 0.941 0.824 CB 1.319 18 residues pruned to eliminate duplicates Z: 20 23.552 1.774 0.850 0.909 1.000 0.632 CB 1.169 20 residues pruned to eliminate duplicates Z: 10 5.271 1.713 0.438 0.482 0.667 0.444 CB 1.089 10 residues pruned to eliminate duplicates Z: 109 57.958 2.225 0.629 0.581 0.935 0.583 CB 1.523 109 residues pruned to eliminate duplicates Z: 7 6.194 1.797 0.263 0.697 1.000 0.667 CB 0.931 Z: 24 36.638 2.219 0.661 0.794 1.000 0.826 CB 1.602 24 residues pruned to eliminate duplicates Z: 10 21.121 1.988 0.880 0.869 1.000 0.667 CB 1.376 10 residues pruned to eliminate duplicates Z: 80 43.955 2.187 0.534 0.538 0.924 0.519 CB 1.536 80 residues pruned to eliminate duplicates Z: 9 12.474 1.882 0.345 0.873 1.000 0.625 CB 1.269 9 residues pruned to eliminate duplicates Z: 13 18.933 2.203 0.399 0.857 0.917 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 38 29.925 2.126 0.657 0.644 0.919 0.459 CB 1.329 38 residues pruned to eliminate duplicates Z: 9 17.453 2.079 0.499 0.887 1.000 1.000 CA 1.427 9 residues pruned to eliminate duplicates Z: 17 19.770 1.950 0.352 0.904 1.000 0.875 CB 1.335 17 residues pruned to eliminate duplicates Z: 12 24.815 1.991 0.866 0.935 1.000 0.455 CB 1.403 12 residues pruned to eliminate duplicates Z: 13 24.386 1.998 0.992 0.641 1.000 0.583 CA 1.550 13 residues pruned to eliminate duplicates Z: 11 21.961 1.807 1.125 0.894 1.000 0.900 CA 1.297 11 residues pruned to eliminate duplicates Z: 17 22.611 1.912 0.518 0.909 1.000 0.875 CB 1.382 17 residues pruned to eliminate duplicates Z: 21 28.219 2.087 0.401 0.911 0.950 0.900 CB 1.610 21 residues pruned to eliminate duplicates Z: 6 3.653 1.754 -0.107 0.755 0.600 0.400 CB 1.386 7 residues pruned to eliminate duplicates Z: 7 7.922 1.747 0.369 0.864 1.000 1.000 CB 0.992 7 residues pruned to eliminate duplicates Z: 6 6.241 1.969 0.408 0.613 0.600 0.600 CB 1.507 6 residues pruned to eliminate duplicates Z: 10 11.053 1.868 0.659 0.808 1.000 0.778 CA 0.909 10 residues pruned to eliminate duplicates Z: 6 2.596 1.711 0.076 0.437 1.000 0.400 CB 0.673 6 residues pruned to eliminate duplicates Z: 8 3.739 1.611 0.026 0.617 0.714 0.714 CB 1.072 Z: 6 7.011 1.674 0.243 0.822 1.000 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 43 35.811 2.204 0.590 0.635 0.929 0.595 CB 1.496 43 residues pruned to eliminate duplicates Z: 8 7.913 1.848 0.280 0.781 1.000 0.571 CB 0.988 8 residues pruned to eliminate duplicates Z: 8 8.303 1.921 0.439 0.652 0.857 0.714 CB 1.150 8 residues pruned to eliminate duplicates Z: 13 8.840 1.746 0.228 0.741 1.000 0.667 CB 0.958 13 residues pruned to eliminate duplicates Z: 62 46.225 2.225 0.713 0.540 0.951 0.557 CA 1.570 62 residues pruned to eliminate duplicates Z: 7 5.894 1.811 0.100 0.717 0.667 0.500 N 1.489 7 residues pruned to eliminate duplicates Z: 19 29.978 2.194 0.449 0.920 0.944 0.778 CB 1.657 19 residues pruned to eliminate duplicates Z: 10 15.767 1.815 1.043 0.919 1.000 0.778 CB 0.999 10 residues pruned to eliminate duplicates Z: 7 6.975 1.705 0.129 0.893 1.000 1.000 CB 1.062 7 residues pruned to eliminate duplicates Z: 122 42.414 1.969 0.611 0.569 0.901 0.612 CB 1.262 120 residues pruned to eliminate duplicates Z: 7 7.263 1.741 0.271 0.883 1.000 1.000 CB 0.969 7 residues pruned to eliminate duplicates Z: 7 6.098 1.680 0.062 0.862 1.000 0.833 CB 1.025 7 residues pruned to eliminate duplicates Z: 18 19.324 1.901 0.448 0.925 1.000 0.529 CB 1.194 18 residues pruned to eliminate duplicates Z: 18 24.136 1.878 0.699 0.930 1.000 0.882 CB 1.283 18 residues pruned to eliminate duplicates Z: 9 8.098 1.668 0.289 0.852 1.000 0.875 CA 0.985 9 residues pruned to eliminate duplicates Z: 30 22.662 2.084 0.518 0.637 0.862 0.793 CB 1.357 30 residues pruned to eliminate duplicates 6 1.793 1.514 0.296 0.391 0.800 0.400 CB 0.573 ? Z: 36 37.501 2.208 0.644 0.653 0.943 0.543 CB 1.605 36 residues pruned to eliminate duplicates Z: 16 13.402 1.874 0.051 0.917 1.000 1.000 CB 1.240 16 residues pruned to eliminate duplicates Z: 7 7.103 1.682 0.308 0.901 1.000 1.000 CB 0.941 7 residues pruned to eliminate duplicates Z: 108 51.354 2.198 0.544 0.562 0.907 0.570 CB 1.520 108 residues pruned to eliminate duplicates Z: 23 19.061 2.078 0.539 0.469 0.909 0.636 CB 1.443 23 residues pruned to eliminate duplicates Z: 12 10.991 1.830 0.494 0.549 0.909 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 9 7.936 1.824 0.470 0.768 0.875 0.625 CB 0.943 9 residues pruned to eliminate duplicates Z: 23 18.795 1.951 0.615 0.592 0.909 0.591 CB 1.280 24 residues pruned to eliminate duplicates Z: 14 9.368 1.745 0.291 0.617 1.000 0.692 CB 1.032 14 residues pruned to eliminate duplicates Z: 18 23.135 1.850 0.645 0.906 1.000 0.765 CB 1.311 18 residues pruned to eliminate duplicates Z: 8 17.343 2.103 0.631 0.682 1.000 1.000 CA 1.617 8 residues pruned to eliminate duplicates Z: 24 20.616 1.918 0.419 0.684 0.957 0.435 CB 1.395 23 residues pruned to eliminate duplicates Z: 8 4.365 1.440 0.275 0.721 0.714 0.429 CA 1.030 8 residues pruned to eliminate duplicates Z: 9 10.101 1.851 0.325 0.745 1.000 0.500 CB 1.170 11 residues pruned to eliminate duplicates Z: 10 9.807 1.878 0.331 0.792 0.778 0.333 CA 1.302 10 residues pruned to eliminate duplicates Z: 25 22.983 2.177 0.623 0.571 0.875 0.583 CB 1.417 25 residues pruned to eliminate duplicates Z: 8 8.443 1.868 0.288 0.831 1.000 0.714 CA 0.996 8 residues pruned to eliminate duplicates Z: 14 7.304 1.604 0.303 0.662 0.923 0.615 CB 0.903 14 residues pruned to eliminate duplicates Z: 7 4.105 1.587 0.322 0.323 0.833 0.333 N 1.164 7 residues pruned to eliminate duplicates Z: 16 15.536 1.927 0.230 0.860 0.933 0.800 CB 1.333 16 residues pruned to eliminate duplicates Z: 33 25.913 1.888 0.783 0.726 0.938 0.562 CB 1.184 47 residues pruned to eliminate duplicates Z: 11 16.225 2.304 0.253 0.842 0.900 0.600 CB 1.472 11 residues pruned to eliminate duplicates Z: 12 12.401 1.809 0.336 0.672 1.000 0.636 CB 1.320 12 residues pruned to eliminate duplicates Z: 28 20.233 1.758 0.693 0.707 0.889 0.444 CA 1.220 28 residues pruned to eliminate duplicates Z: 22 10.828 1.621 0.510 0.607 0.952 0.619 CB 0.916 22 residues pruned to eliminate duplicates Z: 7 7.860 1.805 0.358 0.812 0.833 0.833 CB 1.197 7 residues pruned to eliminate duplicates Z: 18 6.597 1.639 0.233 0.541 0.882 0.647 CB 0.862 18 residues pruned to eliminate duplicates Z: 14 13.981 2.028 0.309 0.512 1.000 0.538 CB 1.443 14 residues pruned to eliminate duplicates Z: 24 14.911 1.786 0.512 0.669 0.870 0.652 CB 1.132 24 residues pruned to eliminate duplicates Z: 6 4.942 2.014 0.017 0.696 0.800 0.800 CA 1.128 6 residues pruned to eliminate duplicates Z: 6 5.162 1.560 0.039 0.760 1.000 0.800 CB 1.130 6 residues pruned to eliminate duplicates Z: 7 11.894 1.939 0.495 0.842 1.000 0.833 CA 1.249 7 residues pruned to eliminate duplicates Z: 19 21.420 1.825 0.812 0.922 0.944 0.389 CB 1.136 19 residues pruned to eliminate duplicates Z: 9 8.411 1.914 0.335 0.846 0.750 0.625 CB 1.153 9 residues pruned to eliminate duplicates Z: 7 9.344 1.852 0.481 0.843 1.000 0.833 CB 1.035 7 residues pruned to eliminate duplicates Z: 9 16.078 2.013 0.714 0.874 1.000 0.875 CA 1.199 9 residues pruned to eliminate duplicates Z: 10 12.258 2.061 0.461 0.639 0.889 0.556 CA 1.340 10 residues pruned to eliminate duplicates Z: 20 20.556 1.841 0.549 0.908 1.000 0.842 CB 1.174 20 residues pruned to eliminate duplicates Z: 36 23.564 2.124 0.310 0.668 0.943 0.657 CB 1.300 36 residues pruned to eliminate duplicates Z: 14 22.015 2.200 0.313 0.902 1.000 0.923 CA 1.507 14 residues pruned to eliminate duplicates Z: 6 4.488 1.784 -0.145 0.801 1.000 0.800 CB 1.012 Z: 7 5.193 1.728 0.467 0.708 0.667 0.500 CA 1.038 7 residues pruned to eliminate duplicates Z: 11 16.347 1.991 0.650 0.717 0.900 0.700 CB 1.437 11 residues pruned to eliminate duplicates Z: 43 31.999 2.173 0.457 0.572 0.929 0.667 CA 1.567 43 residues pruned to eliminate duplicates Z: 53 28.181 2.038 0.490 0.633 0.885 0.615 CB 1.285 53 residues pruned to eliminate duplicates Z: 18 16.882 1.960 0.360 0.841 1.000 0.706 CB 1.146 18 residues pruned to eliminate duplicates Z: 17 18.579 1.868 0.358 0.895 1.000 0.812 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 10.660 2.036 0.359 0.779 0.900 0.500 CB 1.058 11 residues pruned to eliminate duplicates Z: 15 10.884 1.717 0.354 0.790 0.857 0.500 CB 1.132 11 residues pruned to eliminate duplicates Z: 16 20.451 1.934 0.604 0.872 1.000 0.733 CB 1.240 16 residues pruned to eliminate duplicates Z: 6 4.771 1.600 0.251 0.766 0.800 0.800 CB 1.052 Z: 9 8.702 1.919 0.561 0.428 0.750 0.625 N 1.476 9 residues pruned to eliminate duplicates Z: 10 9.945 1.855 0.374 0.767 1.000 0.556 CB 1.027 10 residues pruned to eliminate duplicates Z: 100 58.640 2.242 0.659 0.583 0.939 0.626 CB 1.558 100 residues pruned to eliminate duplicates Z: 11 18.477 2.237 0.446 0.667 1.000 0.700 CB 1.549 Z: 120 54.399 2.235 0.485 0.576 0.924 0.563 CB 1.511 120 residues pruned to eliminate duplicates Z: 6 3.879 1.492 0.446 0.626 0.800 0.800 CB 0.892 5 residues pruned to eliminate duplicates Z: 24 34.350 2.299 0.618 0.677 0.957 0.696 CA 1.711 24 residues pruned to eliminate duplicates Z: 8 13.278 2.022 0.277 0.837 1.000 0.714 CA 1.455 8 residues pruned to eliminate duplicates Z: 9 7.125 1.599 0.395 0.759 0.750 0.375 CA 1.196 9 residues pruned to eliminate duplicates Z: 22 24.992 2.266 0.793 0.606 0.905 0.571 CA 1.342 22 residues pruned to eliminate duplicates Z: 14 12.947 1.836 0.703 0.570 0.846 0.769 CA 1.268 14 residues pruned to eliminate duplicates Z: 22 15.700 1.905 0.420 0.708 0.905 0.619 CB 1.159 22 residues pruned to eliminate duplicates Z: 64 34.994 2.142 0.568 0.583 0.889 0.571 CB 1.364 64 residues pruned to eliminate duplicates Z: 6 4.686 1.792 0.062 0.766 0.800 0.600 CB 1.087 6 residues pruned to eliminate duplicates Z: 7 11.281 1.992 0.294 0.834 1.000 1.000 CA 1.339 7 residues pruned to eliminate duplicates Z: 13 22.443 2.089 0.940 0.845 0.833 0.500 CB 1.426 13 residues pruned to eliminate duplicates Z: 10 8.100 1.901 0.355 0.842 1.000 0.667 CB 0.781 10 residues pruned to eliminate duplicates Z: 18 20.272 1.907 0.550 0.911 0.941 0.765 CB 1.253 18 residues pruned to eliminate duplicates Z: 10 23.662 2.003 0.984 0.891 1.000 1.000 CA 1.427 10 residues pruned to eliminate duplicates Z: 31 37.940 2.169 0.896 0.711 0.933 0.467 CB 1.491 31 residues pruned to eliminate duplicates Z: 10 2.669 1.415 0.144 0.539 0.889 0.778 CB 0.596 6 residues pruned to eliminate duplicates Z: 18 20.019 1.799 0.546 0.898 0.941 0.706 CB 1.327 17 residues pruned to eliminate duplicates Z: 18 21.587 1.844 0.691 0.884 0.941 0.353 CB 1.288 18 residues pruned to eliminate duplicates Z: 21 23.183 2.208 0.433 0.640 0.950 0.800 CA 1.513 21 residues pruned to eliminate duplicates Z: 7 7.509 1.740 0.348 0.899 1.000 1.000 CB 0.934 7 residues pruned to eliminate duplicates Z: 10 10.152 1.839 0.010 0.837 1.000 0.667 CA 1.363 10 residues pruned to eliminate duplicates Z: 8 7.104 1.730 0.135 0.734 0.857 0.714 CB 1.293 7 residues pruned to eliminate duplicates Z: 16 17.354 2.145 0.284 0.845 0.933 0.800 CB 1.296 16 residues pruned to eliminate duplicates Z: 25 13.743 1.995 0.320 0.606 0.792 0.542 CB 1.217 25 residues pruned to eliminate duplicates Z: 6 2.280 1.674 0.419 0.653 0.800 0.800 CA 0.465 Z: 18 23.055 1.861 0.709 0.891 0.941 0.529 CB 1.343 18 residues pruned to eliminate duplicates Z: 10 6.897 1.749 0.349 0.798 0.667 0.222 CB 1.127 10 residues pruned to eliminate duplicates Z: 34 30.746 2.265 0.512 0.646 0.939 0.606 CB 1.452 34 residues pruned to eliminate duplicates Z: 103 57.926 2.227 0.549 0.599 0.961 0.627 CB 1.575 103 residues pruned to eliminate duplicates Z: 6 6.664 1.717 0.052 0.848 1.000 0.800 CB 1.223 6 residues pruned to eliminate duplicates Z: 101 57.852 2.224 0.642 0.574 0.950 0.610 CB 1.552 101 residues pruned to eliminate duplicates Z: 8 6.427 1.895 0.378 0.506 0.857 0.571 CB 1.080 8 residues pruned to eliminate duplicates Z: 7 6.846 1.737 0.268 0.813 0.833 0.500 CA 1.160 7 residues pruned to eliminate duplicates Z: 6 5.293 1.395 0.354 0.785 1.000 0.800 CB 0.976 Z: 19 24.544 1.849 0.812 0.949 1.000 0.778 CB 1.192 19 residues pruned to eliminate duplicates Z: 7 10.619 1.888 0.536 0.854 1.000 0.667 CB 1.104 7 residues pruned to eliminate duplicates Z: 16 22.803 1.889 1.096 0.936 0.933 0.400 CB 1.110 16 residues pruned to eliminate duplicates Z: 8 7.667 1.739 0.512 0.493 1.000 0.571 CA 1.110 8 residues pruned to eliminate duplicates Z: 7 6.222 2.027 0.238 0.783 0.667 0.333 CB 1.184 7 residues pruned to eliminate duplicates Z: 16 21.556 2.087 0.370 0.923 1.000 0.933 CA 1.368 16 residues pruned to eliminate duplicates Z: 111 55.918 2.213 0.554 0.579 0.945 0.573 CB 1.520 111 residues pruned to eliminate duplicates Z: 9 16.127 1.963 0.587 0.879 1.000 0.875 CB 1.327 9 residues pruned to eliminate duplicates Z: 91 58.424 2.229 0.685 0.584 0.944 0.622 CA 1.602 91 residues pruned to eliminate duplicates Z: 8 6.943 1.585 0.558 0.623 0.857 0.714 CA 1.104 8 residues pruned to eliminate duplicates Z: 8 17.394 2.141 0.559 0.856 1.000 0.429 CB 1.452 8 residues pruned to eliminate duplicates Z: 7 5.912 1.949 0.336 0.714 1.000 0.500 CB 0.764 7 residues pruned to eliminate duplicates Z: 16 14.077 2.173 0.362 0.519 0.933 0.533 CB 1.291 16 residues pruned to eliminate duplicates Z: 11 18.270 2.232 0.592 0.660 1.000 0.600 CB 1.402 11 residues pruned to eliminate duplicates Z: 9 9.657 1.742 0.308 0.750 1.000 0.875 CB 1.198 9 residues pruned to eliminate duplicates Z: 22 24.751 1.980 0.707 0.737 0.905 0.714 CB 1.428 23 residues pruned to eliminate duplicates Z: 11 11.296 1.764 0.545 0.816 0.900 0.400 CB 1.106 11 residues pruned to eliminate duplicates Z: 6 3.934 1.540 0.126 0.721 1.000 0.600 CB 0.831 6 residues pruned to eliminate duplicates Z: 13 16.104 2.114 0.445 0.735 0.917 0.583 CA 1.345 13 residues pruned to eliminate duplicates Z: 10 6.604 1.645 0.875 0.515 0.778 0.667 CB 0.904 Z: 9 15.153 2.124 0.570 0.730 0.875 0.625 CA 1.493 9 residues pruned to eliminate duplicates Z: 10 8.453 1.642 0.745 0.773 0.778 0.556 CB 0.993 10 residues pruned to eliminate duplicates Z: 21 18.563 2.053 0.658 0.491 0.950 0.650 CB 1.296 21 residues pruned to eliminate duplicates Z: 44 32.784 2.165 0.589 0.576 0.930 0.581 CB 1.452 44 residues pruned to eliminate duplicates Z: 19 21.781 1.857 0.786 0.909 0.944 0.333 CB 1.163 19 residues pruned to eliminate duplicates Z: 12 15.118 2.151 0.762 0.561 0.818 0.727 CB 1.386 12 residues pruned to eliminate duplicates Z: 18 17.818 1.823 0.316 0.895 1.000 0.882 CB 1.291 18 residues pruned to eliminate duplicates Z: 48 32.669 2.149 0.521 0.640 0.936 0.702 CB 1.366 48 residues pruned to eliminate duplicates Z: 7 13.530 2.127 0.271 0.846 1.000 0.667 CB 1.518 7 residues pruned to eliminate duplicates Z: 8 6.281 1.478 0.558 0.834 0.857 0.429 CB 0.902 8 residues pruned to eliminate duplicates Z: 21 25.471 2.011 0.320 0.927 1.000 0.900 CA 1.503 21 residues pruned to eliminate duplicates Z: 6 2.324 1.446 -0.092 0.481 0.800 0.800 CB 1.008 Z: 10 13.247 1.687 0.961 0.895 1.000 0.333 CB 0.957 10 residues pruned to eliminate duplicates Z: 8 7.569 1.619 0.624 0.618 0.857 0.714 CA 1.136 8 residues pruned to eliminate duplicates Z: 21 38.837 2.168 0.940 0.901 0.900 0.400 CB 1.637 21 residues pruned to eliminate duplicates Z: 14 15.976 2.091 0.244 0.850 0.846 0.846 CA 1.491 14 residues pruned to eliminate duplicates Z: 16 17.073 1.913 0.316 0.895 1.000 0.867 CB 1.255 16 residues pruned to eliminate duplicates Z: 98 49.096 2.169 0.586 0.536 0.907 0.577 CB 1.542 98 residues pruned to eliminate duplicates Z: 25 19.239 1.901 0.518 0.701 0.917 0.667 CB 1.237 25 residues pruned to eliminate duplicates Z: 12 14.074 2.049 0.618 0.423 0.909 0.727 CB 1.525 12 residues pruned to eliminate duplicates Z: 11 13.350 1.987 0.558 0.449 0.900 0.600 CA 1.596 11 residues pruned to eliminate duplicates Z: 102 48.687 2.126 0.589 0.564 0.911 0.594 CB 1.479 102 residues pruned to eliminate duplicates Z: 13 16.644 2.071 0.418 0.540 1.000 0.583 CA 1.572 13 residues pruned to eliminate duplicates Z: 13 9.482 1.703 0.387 0.434 0.917 0.583 CB 1.353 12 residues pruned to eliminate duplicates Z: 9 14.710 1.735 0.998 0.754 0.875 0.750 CB 1.368 9 residues pruned to eliminate duplicates Z: 8 10.827 1.868 0.629 0.867 1.000 0.714 CA 0.984 8 residues pruned to eliminate duplicates Z: 9 8.220 1.581 0.674 0.603 1.000 0.625 N 0.995 9 residues pruned to eliminate duplicates Z: 39 40.406 2.208 0.744 0.634 0.947 0.658 CB 1.584 39 residues pruned to eliminate duplicates Z: 8 10.432 1.859 0.208 0.861 1.000 0.571 CA 1.290 8 residues pruned to eliminate duplicates Z: 8 6.472 1.473 0.447 0.841 0.857 0.571 CB 0.998 8 residues pruned to eliminate duplicates Z: 13 11.167 1.985 0.365 0.488 0.917 0.500 CB 1.314 13 residues pruned to eliminate duplicates Z: 21 15.164 1.924 0.392 0.594 1.000 0.700 CA 1.157 21 residues pruned to eliminate duplicates Z: 8 17.585 2.059 0.573 0.888 1.000 0.857 CA 1.478 8 residues pruned to eliminate duplicates Z: 80 52.158 2.240 0.685 0.535 0.924 0.620 CA 1.626 80 residues pruned to eliminate duplicates Z: 9 8.709 1.817 0.357 0.729 1.000 0.625 CB 1.016 9 residues pruned to eliminate duplicates Z: 100 61.512 2.249 0.706 0.565 0.939 0.667 CB 1.610 100 residues pruned to eliminate duplicates Z: 9 20.331 1.950 0.820 0.908 1.000 0.875 CA 1.439 9 residues pruned to eliminate duplicates Z: 9 10.291 1.637 0.728 0.906 1.000 0.875 CB 0.915 9 residues pruned to eliminate duplicates Z: 9 18.294 2.037 0.991 0.888 0.875 0.875 CB 1.313 9 residues pruned to eliminate duplicates Z: 11 8.787 1.820 0.190 0.771 0.900 0.400 CA 1.122 11 residues pruned to eliminate duplicates Z: 13 19.579 2.180 0.408 0.881 1.000 0.667 CB 1.333 13 residues pruned to eliminate duplicates Z: 108 56.673 2.193 0.699 0.563 0.944 0.570 CB 1.465 108 residues pruned to eliminate duplicates Z: 19 28.300 2.239 0.391 0.926 0.889 0.833 CB 1.690 19 residues pruned to eliminate duplicates Z: 12 10.421 1.701 0.260 0.832 1.000 0.545 CA 1.101 12 residues pruned to eliminate duplicates Z: 9 9.333 1.714 0.536 0.664 0.875 0.750 CA 1.231 9 residues pruned to eliminate duplicates Z: 19 13.088 1.850 0.730 0.407 0.944 0.611 CB 1.125 19 residues pruned to eliminate duplicates Z: 89 51.457 2.194 0.625 0.565 0.932 0.591 CB 1.550 89 residues pruned to eliminate duplicates Z: 7 2.876 1.548 -0.199 0.589 0.833 0.500 CB 1.044 Z: 14 7.879 1.790 0.123 0.648 0.769 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 8 6.345 1.592 0.452 0.773 0.714 0.571 CA 1.141 8 residues pruned to eliminate duplicates Z: 15 22.940 2.207 0.487 0.917 0.929 0.786 CB 1.420 15 residues pruned to eliminate duplicates Z: 9 10.690 1.840 0.657 0.901 0.875 0.875 CB 1.011 9 residues pruned to eliminate duplicates Z: 17 22.034 1.892 0.468 0.897 1.000 0.750 CB 1.420 17 residues pruned to eliminate duplicates Z: 7 2.800 1.379 0.247 0.337 0.833 0.500 CB 0.954 Z: 21 21.461 1.723 0.860 0.877 0.950 0.500 CB 1.144 21 residues pruned to eliminate duplicates Z: 65 51.072 2.276 0.640 0.573 0.969 0.578 CA 1.645 65 residues pruned to eliminate duplicates Z: 15 11.981 1.982 0.424 0.898 0.857 0.500 CB 0.947 15 residues pruned to eliminate duplicates Z: 107 54.865 2.220 0.533 0.578 0.925 0.623 CB 1.571 107 residues pruned to eliminate duplicates Z: 35 40.092 2.203 0.900 0.679 0.941 0.500 CB 1.481 35 residues pruned to eliminate duplicates Z: 6 3.598 1.190 0.304 0.774 1.000 0.800 CB 0.814 Z: 10 7.709 1.827 0.234 0.847 0.778 0.556 CB 1.088 10 residues pruned to eliminate duplicates Z: 50 27.952 2.105 0.492 0.671 0.857 0.612 CB 1.267 50 residues pruned to eliminate duplicates Z: 31 12.811 1.662 0.633 0.472 0.900 0.700 CB 0.985 31 residues pruned to eliminate duplicates Z: 20 24.123 1.782 0.894 0.906 1.000 0.579 CB 1.167 20 residues pruned to eliminate duplicates Z: 6 2.270 1.502 0.085 0.637 0.600 0.400 CB 0.913 Z: 10 13.583 1.796 0.473 0.773 1.000 0.667 CA 1.344 10 residues pruned to eliminate duplicates Z: 10 8.424 2.119 0.182 0.779 0.889 0.556 CB 0.986 10 residues pruned to eliminate duplicates Z: 7 2.747 1.551 0.171 0.480 0.833 0.333 CB 0.757 7 residues pruned to eliminate duplicates Z: 24 23.166 2.198 0.648 0.551 0.957 0.696 CB 1.326 35 residues pruned to eliminate duplicates Z: 30 29.972 2.113 0.784 0.571 0.966 0.655 CB 1.428 30 residues pruned to eliminate duplicates Z: 109 58.779 2.237 0.585 0.577 0.954 0.593 CB 1.554 109 residues pruned to eliminate duplicates Z: 6 2.375 1.651 0.145 0.285 0.600 0.600 CA 1.193 Z: 41 32.695 2.167 0.780 0.650 0.850 0.650 CB 1.371 41 residues pruned to eliminate duplicates Z: 6 5.200 1.736 -0.025 0.567 1.000 0.400 O 1.288 8 residues pruned to eliminate duplicates Z: 11 12.225 1.936 0.360 0.597 0.800 0.600 C 1.673 11 residues pruned to eliminate duplicates Z: 102 59.018 2.223 0.665 0.569 0.960 0.584 CB 1.545 102 residues pruned to eliminate duplicates Z: 16 11.904 1.851 0.631 0.427 0.800 0.600 CB 1.373 16 residues pruned to eliminate duplicates Z: 7 5.432 1.501 0.363 0.504 1.000 0.667 N 1.080 Z: 19 24.007 2.150 0.231 0.937 1.000 1.000 CB 1.489 19 residues pruned to eliminate duplicates Z: 7 12.115 1.885 0.328 0.794 1.000 0.500 CB 1.527 7 residues pruned to eliminate duplicates Z: 8 7.635 2.115 0.281 0.718 0.857 0.571 CB 1.020 8 residues pruned to eliminate duplicates Z: 6 6.880 1.878 0.196 0.825 1.000 1.000 CB 1.034 6 residues pruned to eliminate duplicates Z: 12 20.033 2.258 0.770 0.602 1.000 0.636 CB 1.371 12 residues pruned to eliminate duplicates Z: 26 30.928 2.315 0.686 0.598 0.960 0.600 CA 1.504 26 residues pruned to eliminate duplicates Z: 7 2.371 1.458 0.053 0.419 0.667 0.500 CB 1.029 7 residues pruned to eliminate duplicates Z: 8 8.514 1.782 0.399 0.753 1.000 0.714 CB 1.030 8 residues pruned to eliminate duplicates Z: 18 14.716 1.795 0.270 0.889 1.000 0.706 CB 1.128 17 residues pruned to eliminate duplicates Z: 16 15.203 2.094 0.400 0.898 0.867 0.800 CB 1.106 16 residues pruned to eliminate duplicates Z: 6 3.519 1.560 0.411 0.829 0.600 0.400 CB 0.896 6 residues pruned to eliminate duplicates Z: 13 8.161 1.674 0.695 0.374 0.750 0.583 O 1.266 13 residues pruned to eliminate duplicates Z: 27 15.730 1.945 0.393 0.510 0.962 0.462 CB 1.173 27 residues pruned to eliminate duplicates Z: 15 13.235 1.856 0.448 0.782 0.929 0.286 CB 1.106 15 residues pruned to eliminate duplicates Z: 13 14.729 1.950 0.305 0.693 1.000 0.750 CB 1.401 13 residues pruned to eliminate duplicates Z: 8 8.783 1.847 0.314 0.512 1.000 0.857 CB 1.352 8 residues pruned to eliminate duplicates Z: 6 2.904 1.431 -0.061 0.865 1.000 1.000 CB 0.708 6 residues pruned to eliminate duplicates Z: 42 35.445 2.235 0.666 0.519 0.951 0.585 CA 1.534 42 residues pruned to eliminate duplicates Z: 6 2.798 1.528 0.270 0.273 0.800 0.000 C 1.044 Z: 8 4.965 1.668 0.195 0.796 1.000 0.857 CB 0.726 8 residues pruned to eliminate duplicates Z: 15 23.553 2.126 0.428 0.856 1.000 0.571 CA 1.529 15 residues pruned to eliminate duplicates Z: 16 12.840 1.811 0.471 0.763 0.933 0.600 CB 1.056 15 residues pruned to eliminate duplicates Z: 7 4.670 1.507 0.305 0.763 0.667 0.667 CA 1.151 7 residues pruned to eliminate duplicates Z: 9 8.039 1.868 -0.011 0.860 1.000 0.875 CA 1.131 9 residues pruned to eliminate duplicates Z: 9 12.457 1.705 1.149 0.707 1.000 0.750 CB 0.996 9 residues pruned to eliminate duplicates Z: 10 10.775 2.093 0.508 0.434 0.889 0.778 CB 1.371 10 residues pruned to eliminate duplicates Z: 8 4.636 1.359 0.214 0.855 0.857 0.571 CB 0.914 8 residues pruned to eliminate duplicates Z: 27 33.045 2.316 0.828 0.556 0.962 0.538 CA 1.509 27 residues pruned to eliminate duplicates Z: 15 14.880 2.159 0.280 0.630 0.929 0.643 CB 1.372 15 residues pruned to eliminate duplicates Z: 17 22.038 1.857 0.865 0.933 0.938 0.250 CB 1.184 17 residues pruned to eliminate duplicates Z: 17 23.410 1.982 0.670 0.910 1.000 0.625 CB 1.254 17 residues pruned to eliminate duplicates Z: 6 5.785 1.535 0.763 0.750 0.800 0.400 CB 0.957 6 residues pruned to eliminate duplicates Z: 10 6.237 1.784 0.010 0.780 0.778 0.444 CB 1.159 10 residues pruned to eliminate duplicates Z: 8 7.876 1.802 0.442 0.874 1.000 0.714 CA 0.834 8 residues pruned to eliminate duplicates Z: 9 8.662 2.063 0.626 0.559 0.875 0.625 CB 0.985 9 residues pruned to eliminate duplicates Z: 106 57.746 2.213 0.667 0.571 0.914 0.610 CB 1.560 106 residues pruned to eliminate duplicates Z: 6 5.320 1.946 -0.109 0.827 0.800 0.600 CA 1.292 6 residues pruned to eliminate duplicates Z: 6 5.249 1.843 0.448 0.527 0.800 0.600 CA 1.070 6 residues pruned to eliminate duplicates Z: 6 2.434 1.312 0.128 0.587 1.000 0.600 CB 0.677 Z: 8 3.174 1.252 0.587 0.320 0.714 0.571 O 1.031 8 residues pruned to eliminate duplicates Z: 9 14.856 2.117 0.696 0.681 0.875 0.625 CB 1.415 9 residues pruned to eliminate duplicates Z: 50 33.198 2.055 0.700 0.632 0.918 0.469 CB 1.306 50 residues pruned to eliminate duplicates Z: 79 38.579 2.041 0.612 0.573 0.936 0.654 CB 1.323 79 residues pruned to eliminate duplicates Z: 6 2.094 1.544 0.681 0.690 0.600 0.400 CB 0.505 6 residues pruned to eliminate duplicates Z: 18 20.304 1.902 0.706 0.894 1.000 0.765 CB 1.089 17 residues pruned to eliminate duplicates Z: 6 4.743 1.776 0.070 0.620 1.000 0.800 CB 0.996 6 residues pruned to eliminate duplicates Z: 10 14.777 1.895 0.730 0.893 1.000 0.778 CA 1.079 10 residues pruned to eliminate duplicates Z: 9 2.238 1.265 -0.067 0.362 1.000 0.500 CB 0.777 8 residues pruned to eliminate duplicates Z: 29 28.772 1.951 0.722 0.818 0.964 0.571 CB 1.274 56 residues pruned to eliminate duplicates Z: 8 11.353 1.694 0.585 0.865 1.000 0.714 CA 1.170 8 residues pruned to eliminate duplicates Z: 6 5.451 1.673 0.102 0.844 1.000 0.600 CA 0.983 Z: 8 21.894 2.125 0.838 0.882 1.000 0.571 CA 1.533 8 residues pruned to eliminate duplicates Z: 16 11.701 1.826 0.425 0.555 1.000 0.800 CB 1.101 16 residues pruned to eliminate duplicates Z: 9 14.632 1.874 0.821 0.787 1.000 0.750 CB 1.178 9 residues pruned to eliminate duplicates Z: 18 16.344 1.821 0.574 0.877 0.882 0.588 CB 1.138 18 residues pruned to eliminate duplicates Z: 14 13.035 2.061 0.148 0.894 1.000 0.923 CB 1.097 14 residues pruned to eliminate duplicates Z: 26 14.764 2.015 0.344 0.531 0.840 0.520 CB 1.259 26 residues pruned to eliminate duplicates Z: 15 14.843 2.160 0.378 0.599 0.857 0.643 CB 1.416 15 residues pruned to eliminate duplicates Z: 6 3.281 1.557 0.583 0.826 0.800 0.600 CB 0.561 6 residues pruned to eliminate duplicates Z: 43 34.539 2.174 0.651 0.551 0.929 0.548 CB 1.521 43 residues pruned to eliminate duplicates Z: 24 18.398 2.142 0.582 0.526 0.870 0.522 CB 1.269 24 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 7.694 1.721 0.483 0.681 1.000 0.571 CB 0.965 8 residues pruned to eliminate duplicates Z: 8 8.978 1.784 0.362 0.781 1.000 0.857 CB 1.090 7 residues pruned to eliminate duplicates Z: 9 8.754 1.675 0.557 0.716 1.000 0.750 CB 0.976 8 residues pruned to eliminate duplicates Z: 9 7.811 1.650 0.591 0.730 1.000 0.625 CB 0.855 9 residues pruned to eliminate duplicates Z: 8 8.818 1.659 0.581 0.697 1.000 0.571 CB 1.062 8 residues pruned to eliminate duplicates Z: 50 31.867 2.183 0.540 0.537 0.878 0.449 CB 1.488 50 residues pruned to eliminate duplicates Z: 49 38.329 2.199 0.620 0.542 0.958 0.521 CB 1.556 49 residues pruned to eliminate duplicates Z: 48 37.704 2.236 0.591 0.583 0.936 0.511 CB 1.524 48 residues pruned to eliminate duplicates Z: 58 42.712 2.202 0.640 0.566 0.947 0.579 CA 1.552 58 residues pruned to eliminate duplicates Z: 46 36.570 2.228 0.580 0.558 0.933 0.689 CB 1.568 46 residues pruned to eliminate duplicates Z: 15 11.263 1.838 0.507 0.408 0.857 0.571 CB 1.396 15 residues pruned to eliminate duplicates Z: 9 3.717 1.498 -0.059 0.480 1.000 0.750 CB 0.952 9 residues pruned to eliminate duplicates Z: 12 17.068 1.988 0.532 0.606 1.000 0.545 CB 1.528 12 residues pruned to eliminate duplicates Z: 6 3.995 1.856 0.397 0.285 0.800 0.200 CB 1.097 6 residues pruned to eliminate duplicates Z: 13 14.881 1.892 0.510 0.570 1.000 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 14 11.775 1.863 0.535 0.537 0.846 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 12 18.869 2.009 0.634 0.624 1.000 0.636 CB 1.542 12 residues pruned to eliminate duplicates Z: 6 5.039 1.452 0.699 0.473 0.800 0.800 N 1.174 6 residues pruned to eliminate duplicates Z: 13 13.694 1.885 0.548 0.581 0.917 0.667 CB 1.367 13 residues pruned to eliminate duplicates Z: 11 20.888 2.128 0.723 0.688 1.000 0.700 CB 1.516 12 residues pruned to eliminate duplicates Z: 6 6.196 2.006 0.608 0.296 1.000 0.400 CB 1.079 Z: 8 8.340 1.857 0.450 0.378 1.000 0.429 CB 1.334 6 residues pruned to eliminate duplicates Z: 7 5.510 1.540 0.731 0.421 0.833 0.333 CA 1.099 Z: 6 6.030 1.730 0.448 0.472 1.000 0.800 CA 1.108 Z: 6 3.456 1.649 0.264 0.332 0.800 0.400 CB 1.114 Z: 6 5.870 1.632 0.910 0.306 1.000 0.600 CA 1.045 12 residues pruned to eliminate duplicates Z: 25 25.433 2.238 0.684 0.553 0.958 0.583 CB 1.366 25 residues pruned to eliminate duplicates Z: 24 22.035 2.258 0.600 0.531 0.870 0.565 CB 1.419 24 residues pruned to eliminate duplicates Z: 25 23.271 2.221 0.690 0.550 0.875 0.667 CB 1.378 39 residues pruned to eliminate duplicates Z: 14 16.582 2.215 0.779 0.517 0.846 0.615 CB 1.356 15 residues pruned to eliminate duplicates Z: 6 5.041 1.574 0.631 0.374 1.000 0.600 CB 1.005 6 residues pruned to eliminate duplicates Z: 9 6.975 1.728 0.352 0.564 0.750 0.500 CA 1.322 9 residues pruned to eliminate duplicates Z: 7 4.477 1.725 -0.040 0.643 0.833 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 8 6.649 1.847 0.281 0.521 0.714 0.571 CA 1.456 9 residues pruned to eliminate duplicates Z: 8 10.510 1.838 0.321 0.716 1.000 0.857 CA 1.345 8 residues pruned to eliminate duplicates Z: 8 4.902 1.702 0.225 0.568 0.714 0.429 CA 1.164 8 residues pruned to eliminate duplicates Z: 9 9.035 1.676 0.460 0.595 0.875 0.875 CA 1.363 15 residues pruned to eliminate duplicates Z: 7 6.503 1.886 0.274 0.371 1.000 0.167 CA 1.268 6 residues pruned to eliminate duplicates Z: 7 5.239 2.076 0.178 0.329 0.833 0.167 CA 1.265 7 residues pruned to eliminate duplicates Z: 12 17.979 1.990 0.729 0.554 1.000 0.727 CB 1.495 12 residues pruned to eliminate duplicates Z: 12 19.879 2.040 0.663 0.716 1.000 0.636 CB 1.452 12 residues pruned to eliminate duplicates Z: 6 6.450 1.457 0.749 0.471 1.000 0.600 N 1.166 6 residues pruned to eliminate duplicates Z: 13 12.437 1.905 0.507 0.574 0.917 0.500 CB 1.271 13 residues pruned to eliminate duplicates Z: 12 18.061 2.065 0.673 0.642 1.000 0.636 CB 1.380 13 residues pruned to eliminate duplicates Z: 15 13.596 1.884 0.420 0.827 0.929 0.500 CB 1.102 14 residues pruned to eliminate duplicates Z: 14 15.658 1.902 0.501 0.812 1.000 0.154 CB 1.159 14 residues pruned to eliminate duplicates Z: 14 10.819 1.861 0.240 0.765 0.923 0.308 CB 1.113 14 residues pruned to eliminate duplicates Z: 15 10.340 1.844 0.498 0.719 0.857 0.357 CB 0.957 15 residues pruned to eliminate duplicates Z: 21 13.888 1.860 0.440 0.695 0.950 0.600 CB 1.022 21 residues pruned to eliminate duplicates Z: 22 16.953 1.897 0.500 0.722 1.000 0.714 CB 1.063 22 residues pruned to eliminate duplicates Z: 22 13.208 1.895 0.343 0.690 0.905 0.381 CB 1.051 22 residues pruned to eliminate duplicates Z: 15 11.380 1.945 0.383 0.726 0.929 0.571 CB 0.993 15 residues pruned to eliminate duplicates Z: 20 13.978 1.822 0.483 0.681 0.947 0.474 CB 1.061 20 residues pruned to eliminate duplicates Z: 21 14.102 1.886 0.343 0.694 0.950 0.600 CB 1.098 21 residues pruned to eliminate duplicates Z: 22 14.504 1.889 0.442 0.698 0.905 0.476 CB 1.071 22 residues pruned to eliminate duplicates Z: 24 13.517 1.803 0.379 0.681 0.913 0.609 CB 1.051 24 residues pruned to eliminate duplicates Z: 24 13.488 1.773 0.433 0.634 0.913 0.435 CB 1.068 24 residues pruned to eliminate duplicates Z: 18 9.909 1.871 0.208 0.685 0.882 0.588 CB 1.017 18 residues pruned to eliminate duplicates Z: 24 13.302 1.807 0.584 0.704 0.870 0.522 CB 0.925 24 residues pruned to eliminate duplicates Z: 19 10.123 1.871 0.184 0.699 0.833 0.667 CB 1.078 19 residues pruned to eliminate duplicates Z: 22 15.024 1.873 0.454 0.651 0.905 0.476 CB 1.156 22 residues pruned to eliminate duplicates Z: 22 13.274 1.861 0.335 0.668 0.857 0.524 CB 1.164 22 residues pruned to eliminate duplicates Z: 10 7.619 1.591 0.771 0.481 0.889 0.556 CB 1.034 10 residues pruned to eliminate duplicates Z: 10 12.115 1.643 0.901 0.554 1.000 0.667 CA 1.226 10 residues pruned to eliminate duplicates Z: 13 13.155 1.604 0.756 0.699 0.917 0.667 CB 1.227 16 residues pruned to eliminate duplicates Z: 6 2.953 1.379 -0.125 0.598 1.000 0.600 CB 0.998 3 residues pruned to eliminate duplicates Z: 18 16.147 1.768 0.437 0.810 1.000 0.824 CA 1.177 18 residues pruned to eliminate duplicates Z: 13 14.689 1.907 0.496 0.578 1.000 0.583 CA 1.380 13 residues pruned to eliminate duplicates Z: 26 18.552 1.757 0.548 0.759 0.960 0.640 CA 1.128 26 residues pruned to eliminate duplicates Z: 15 11.584 1.841 0.378 0.632 0.857 0.357 CA 1.258 17 residues pruned to eliminate duplicates Z: 18 22.847 1.867 0.626 0.926 1.000 0.824 CA 1.280 18 residues pruned to eliminate duplicates Z: 8 11.832 2.070 0.565 0.745 0.714 0.286 CA 1.553 8 residues pruned to eliminate duplicates Z: 24 24.695 1.814 0.865 0.779 0.957 0.522 CB 1.244 24 residues pruned to eliminate duplicates Z: 11 10.319 1.899 0.716 0.717 0.600 0.100 CB 1.372 11 residues pruned to eliminate duplicates Z: 14 16.481 1.859 0.591 0.705 1.000 0.385 CB 1.282 14 residues pruned to eliminate duplicates Z: 30 20.704 1.744 0.742 0.674 0.931 0.414 CB 1.158 30 residues pruned to eliminate duplicates Z: 37 21.797 1.793 0.599 0.660 0.917 0.556 CB 1.191 37 residues pruned to eliminate duplicates Z: 20 22.452 1.845 0.819 0.892 0.947 0.526 CB 1.164 20 residues pruned to eliminate duplicates Z: 33 23.622 1.807 0.687 0.730 1.000 0.469 CB 1.113 33 residues pruned to eliminate duplicates Z: 31 23.217 1.794 0.612 0.725 1.000 0.467 CB 1.197 31 residues pruned to eliminate duplicates Z: 23 21.441 1.750 0.922 0.746 0.864 0.500 CA 1.262 23 residues pruned to eliminate duplicates Z: 34 30.665 1.890 0.856 0.727 0.939 0.576 CB 1.320 34 residues pruned to eliminate duplicates Z: 17 7.733 1.639 0.560 0.452 0.750 0.500 CA 1.059 17 residues pruned to eliminate duplicates Z: 25 23.525 1.822 0.763 0.761 0.958 0.500 CB 1.237 25 residues pruned to eliminate duplicates Z: 19 14.240 1.806 0.574 0.621 0.889 0.722 CB 1.184 19 residues pruned to eliminate duplicates Z: 29 19.472 1.735 0.767 0.700 0.929 0.429 CB 1.077 29 residues pruned to eliminate duplicates Z: 17 14.799 1.780 0.732 0.570 0.938 0.500 CA 1.197 17 residues pruned to eliminate duplicates Z: 17 13.339 1.810 0.737 0.597 0.812 0.562 CB 1.190 17 residues pruned to eliminate duplicates Z: 31 22.869 1.830 0.764 0.718 0.833 0.567 CA 1.274 31 residues pruned to eliminate duplicates Z: 18 13.101 1.721 0.811 0.556 0.824 0.588 CA 1.173 18 residues pruned to eliminate duplicates Z: 7 7.307 1.863 0.497 0.484 0.833 0.500 CA 1.304 Z: 8 9.618 1.836 0.671 0.817 0.857 0.714 CA 1.049 8 residues pruned to eliminate duplicates Z: 8 11.213 1.696 0.933 0.799 0.857 0.429 CA 1.160 8 residues pruned to eliminate duplicates Z: 40 19.088 1.882 0.688 0.485 0.923 0.538 CB 1.058 40 residues pruned to eliminate duplicates Z: 44 22.319 1.862 0.641 0.561 1.000 0.535 CB 1.050 44 residues pruned to eliminate duplicates Z: 27 21.295 2.005 0.700 0.587 0.962 0.692 CB 1.172 27 residues pruned to eliminate duplicates Z: 28 22.705 2.045 0.670 0.567 1.000 0.630 CB 1.199 28 residues pruned to eliminate duplicates Z: 11 12.869 1.985 0.409 0.691 1.000 0.500 CB 1.222 11 residues pruned to eliminate duplicates Z: 12 11.362 1.881 0.451 0.724 1.000 0.636 CB 1.025 12 residues pruned to eliminate duplicates Z: 47 21.951 1.883 0.571 0.509 0.957 0.587 CB 1.134 47 residues pruned to eliminate duplicates Z: 48 20.020 1.856 0.529 0.494 0.936 0.447 CB 1.106 48 residues pruned to eliminate duplicates Z: 28 21.218 2.021 0.607 0.523 1.000 0.370 CB 1.229 28 residues pruned to eliminate duplicates Z: 26 19.699 2.013 0.423 0.579 1.000 0.600 CB 1.275 26 residues pruned to eliminate duplicates Z: 11 10.810 1.773 0.524 0.650 1.000 0.600 CA 1.100 11 residues pruned to eliminate duplicates Z: 28 22.223 2.021 0.662 0.524 1.000 0.556 CB 1.244 28 residues pruned to eliminate duplicates Z: 36 21.307 1.951 0.543 0.526 1.000 0.543 CB 1.167 36 residues pruned to eliminate duplicates Z: 28 21.546 2.020 0.610 0.550 1.000 0.519 CB 1.215 28 residues pruned to eliminate duplicates Z: 10 8.219 1.808 0.438 0.685 0.778 0.556 CB 1.143 10 residues pruned to eliminate duplicates Z: 28 19.200 1.999 0.575 0.509 0.963 0.481 CB 1.207 28 residues pruned to eliminate duplicates Z: 36 19.935 1.942 0.688 0.509 0.914 0.600 CB 1.114 36 residues pruned to eliminate duplicates Z: 15 6.943 1.565 0.731 0.418 0.857 0.500 CB 0.871 15 residues pruned to eliminate duplicates Z: 40 17.404 1.895 0.525 0.446 0.974 0.590 CB 1.046 40 residues pruned to eliminate duplicates Z: 35 21.359 1.933 0.694 0.502 0.971 0.559 CB 1.151 35 residues pruned to eliminate duplicates Z: 36 21.202 1.949 0.660 0.501 0.971 0.629 CB 1.139 36 residues pruned to eliminate duplicates Z: 48 23.530 1.867 0.669 0.515 0.957 0.660 CB 1.133 48 residues pruned to eliminate duplicates Z: 48 21.768 1.858 0.617 0.496 0.957 0.596 CB 1.108 48 residues pruned to eliminate duplicates Z: 21 9.563 1.674 0.492 0.453 0.900 0.500 CB 0.999 21 residues pruned to eliminate duplicates Z: 10 6.285 1.572 0.272 0.587 1.000 0.444 CB 0.963 10 residues pruned to eliminate duplicates Z: 45 20.316 1.869 0.511 0.492 0.977 0.545 CB 1.119 45 residues pruned to eliminate duplicates Z: 47 20.383 1.828 0.627 0.501 0.935 0.565 CB 1.080 47 residues pruned to eliminate duplicates Z: 48 18.540 1.846 0.572 0.466 0.872 0.532 CB 1.105 48 residues pruned to eliminate duplicates Z: 49 18.144 1.770 0.587 0.471 0.938 0.521 CB 1.024 49 residues pruned to eliminate duplicates Z: 19 9.247 1.731 0.398 0.529 0.889 0.611 CB 0.985 19 residues pruned to eliminate duplicates Z: 46 15.390 1.769 0.554 0.461 0.889 0.600 CB 0.977 46 residues pruned to eliminate duplicates Z: 106 39.820 2.005 0.575 0.562 0.933 0.590 CB 1.242 106 residues pruned to eliminate duplicates Z: 102 41.904 1.997 0.560 0.571 0.950 0.663 CB 1.314 102 residues pruned to eliminate duplicates Z: 18 7.937 1.699 0.229 0.524 0.941 0.706 CB 0.956 18 residues pruned to eliminate duplicates Z: 12 8.210 1.818 0.209 0.545 0.909 0.727 CB 1.186 12 residues pruned to eliminate duplicates Z: 18 7.368 1.675 0.290 0.595 0.941 0.765 CB 0.802 18 residues pruned to eliminate duplicates Z: 60 21.569 1.818 0.514 0.532 0.949 0.542 CB 1.042 60 residues pruned to eliminate duplicates Z: 44 15.841 1.708 0.598 0.496 0.930 0.535 CB 0.956 44 residues pruned to eliminate duplicates Z: 18 8.302 1.665 0.288 0.544 0.882 0.647 CB 1.019 18 residues pruned to eliminate duplicates Z: 61 35.493 2.102 0.498 0.602 0.967 0.700 CB 1.367 61 residues pruned to eliminate duplicates Z: 15 8.573 1.671 0.346 0.525 1.000 0.786 CB 0.995 15 residues pruned to eliminate duplicates Z: 54 30.938 2.065 0.415 0.574 0.981 0.698 CB 1.380 54 residues pruned to eliminate duplicates Z: 61 35.463 2.123 0.420 0.593 0.983 0.600 CB 1.413 61 residues pruned to eliminate duplicates Z: 20 8.388 1.635 0.281 0.498 1.000 0.684 CB 0.920 20 residues pruned to eliminate duplicates Z: 24 9.230 1.648 0.307 0.544 0.870 0.522 CB 0.984 24 residues pruned to eliminate duplicates Z: 14 6.817 1.685 0.458 0.370 1.000 0.385 CB 0.885 14 residues pruned to eliminate duplicates Z: 30 11.624 1.681 0.426 0.468 0.966 0.621 CB 0.963 30 residues pruned to eliminate duplicates Z: 45 39.279 2.243 0.556 0.629 0.977 0.636 CB 1.537 45 residues pruned to eliminate duplicates Z: 46 39.335 2.252 0.560 0.606 1.000 0.556 CB 1.509 46 residues pruned to eliminate duplicates Z: 6 3.315 1.732 0.252 0.330 1.000 0.600 CB 0.824 6 residues pruned to eliminate duplicates Z: 46 37.229 2.253 0.490 0.632 0.956 0.600 CB 1.528 46 residues pruned to eliminate duplicates Z: 61 39.809 2.137 0.530 0.604 0.950 0.550 CB 1.498 61 residues pruned to eliminate duplicates Z: 59 31.005 1.988 0.470 0.555 0.948 0.672 CB 1.393 59 residues pruned to eliminate duplicates Z: 123 44.123 2.002 0.527 0.574 0.934 0.656 CB 1.301 123 residues pruned to eliminate duplicates Z: 45 33.990 2.227 0.479 0.589 0.932 0.591 CB 1.533 45 residues pruned to eliminate duplicates Z: 63 33.404 2.063 0.507 0.591 0.935 0.645 CB 1.336 63 residues pruned to eliminate duplicates Z: 60 35.661 2.123 0.570 0.595 0.915 0.593 CB 1.390 60 residues pruned to eliminate duplicates Z: 105 41.048 2.012 0.653 0.535 0.913 0.635 CB 1.280 105 residues pruned to eliminate duplicates Z: 42 37.126 2.221 0.542 0.592 0.976 0.537 CB 1.590 42 residues pruned to eliminate duplicates Z: 76 41.200 2.090 0.560 0.569 0.947 0.613 CB 1.442 76 residues pruned to eliminate duplicates Z: 80 38.820 2.069 0.509 0.566 0.949 0.570 CB 1.382 80 residues pruned to eliminate duplicates Z: 61 32.161 2.089 0.534 0.560 0.900 0.617 CB 1.358 61 residues pruned to eliminate duplicates Z: 49 35.433 2.192 0.623 0.569 0.896 0.500 CB 1.502 49 residues pruned to eliminate duplicates Z: 43 41.219 2.184 0.711 0.644 0.929 0.619 CB 1.603 43 residues pruned to eliminate duplicates Z: 61 33.125 2.116 0.474 0.604 0.917 0.650 CB 1.355 61 residues pruned to eliminate duplicates Z: 47 33.717 2.195 0.456 0.588 0.957 0.543 CB 1.495 47 residues pruned to eliminate duplicates Z: 46 38.691 2.214 0.575 0.613 0.978 0.733 CB 1.520 46 residues pruned to eliminate duplicates Z: 59 43.100 2.223 0.612 0.614 0.914 0.603 CB 1.551 59 residues pruned to eliminate duplicates Z: 58 37.648 2.100 0.610 0.593 0.965 0.719 CB 1.397 58 residues pruned to eliminate duplicates Z: 47 41.036 2.225 0.613 0.609 1.000 0.630 CB 1.519 47 residues pruned to eliminate duplicates Z: 102 39.192 1.992 0.567 0.560 0.980 0.614 CB 1.202 102 residues pruned to eliminate duplicates Z: 35 35.120 2.224 0.589 0.629 0.971 0.588 CB 1.556 35 residues pruned to eliminate duplicates Z: 62 37.651 2.120 0.612 0.594 0.951 0.607 CB 1.356 62 residues pruned to eliminate duplicates Z: 57 33.354 2.130 0.556 0.553 0.857 0.536 CB 1.490 57 residues pruned to eliminate duplicates Z: 59 38.597 2.137 0.555 0.578 0.983 0.569 CB 1.441 59 residues pruned to eliminate duplicates Z: 60 38.466 2.135 0.586 0.575 0.966 0.610 CB 1.423 60 residues pruned to eliminate duplicates Z: 62 43.794 2.170 0.666 0.599 0.967 0.574 CB 1.459 62 residues pruned to eliminate duplicates Z: 61 41.401 2.168 0.496 0.599 0.967 0.633 CB 1.552 61 residues pruned to eliminate duplicates Z: 61 36.404 2.117 0.474 0.537 0.950 0.600 CB 1.529 61 residues pruned to eliminate duplicates Z: 73 42.314 2.154 0.546 0.599 0.931 0.681 CB 1.464 73 residues pruned to eliminate duplicates Z: 45 37.837 2.241 0.600 0.618 0.932 0.659 CB 1.527 45 residues pruned to eliminate duplicates Z: 62 42.648 2.189 0.622 0.605 0.902 0.590 CB 1.544 62 residues pruned to eliminate duplicates Z: 46 40.909 2.252 0.634 0.624 0.956 0.600 CB 1.544 46 residues pruned to eliminate duplicates Z: 19 15.744 2.131 0.584 0.545 0.833 0.556 CB 1.262 19 residues pruned to eliminate duplicates Z: 63 40.088 2.121 0.580 0.580 0.935 0.565 CB 1.503 63 residues pruned to eliminate duplicates Z: 62 37.293 2.104 0.527 0.582 0.967 0.689 CB 1.420 62 residues pruned to eliminate duplicates Z: 107 41.618 2.018 0.581 0.556 0.953 0.594 CB 1.259 107 residues pruned to eliminate duplicates Z: 67 41.585 2.096 0.705 0.555 0.939 0.500 CB 1.445 67 residues pruned to eliminate duplicates Z: 7 7.493 2.220 0.203 0.663 0.833 0.333 CB 1.182 7 residues pruned to eliminate duplicates Z: 27 19.779 2.066 0.596 0.540 0.769 0.538 CB 1.471 27 residues pruned to eliminate duplicates Z: 60 40.086 2.113 0.591 0.578 0.915 0.593 CA 1.574 60 residues pruned to eliminate duplicates Z: 65 29.850 2.016 0.481 0.562 0.938 0.500 CB 1.255 65 residues pruned to eliminate duplicates Z: 61 41.392 2.148 0.641 0.613 0.917 0.567 CB 1.486 61 residues pruned to eliminate duplicates Z: 26 22.158 2.043 0.475 0.584 0.920 0.600 CB 1.474 26 residues pruned to eliminate duplicates Z: 60 42.136 2.200 0.618 0.616 0.932 0.627 CB 1.481 60 residues pruned to eliminate duplicates Z: 75 40.753 2.106 0.502 0.600 0.959 0.662 CB 1.419 75 residues pruned to eliminate duplicates Z: 61 42.189 2.189 0.612 0.610 0.917 0.617 CB 1.517 61 residues pruned to eliminate duplicates Z: 64 37.266 2.146 0.570 0.578 0.873 0.524 CB 1.480 64 residues pruned to eliminate duplicates Z: 17 21.062 2.121 0.537 0.593 1.000 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 123 45.764 2.001 0.638 0.558 0.951 0.607 CB 1.257 123 residues pruned to eliminate duplicates Z: 75 41.477 2.105 0.527 0.586 0.986 0.662 CB 1.400 75 residues pruned to eliminate duplicates Z: 76 44.466 2.084 0.713 0.572 0.973 0.640 CB 1.378 59 residues pruned to eliminate duplicates Z: 9 18.595 2.187 0.514 0.883 1.000 0.750 CA 1.436 9 residues pruned to eliminate duplicates Z: 61 40.131 2.162 0.614 0.572 0.917 0.567 CB 1.511 61 residues pruned to eliminate duplicates Z: 51 41.374 2.149 0.601 0.631 0.980 0.700 CA 1.535 51 residues pruned to eliminate duplicates Z: 16 17.796 1.967 0.731 0.510 1.000 0.400 CA 1.335 16 residues pruned to eliminate duplicates Z: 57 40.087 2.131 0.638 0.591 0.946 0.607 CB 1.486 57 residues pruned to eliminate duplicates Z: 38 20.854 1.919 0.686 0.490 0.892 0.703 CB 1.200 38 residues pruned to eliminate duplicates Z: 19 10.147 1.715 0.719 0.423 0.944 0.722 CB 0.931 18 residues pruned to eliminate duplicates Z: 6 3.642 1.632 0.882 0.321 0.800 0.600 CA 0.807 Z: 8 10.876 1.764 0.439 0.661 1.000 0.571 CB 1.394 9 residues pruned to eliminate duplicates Z: 9 8.149 1.723 0.653 0.604 0.750 0.375 CA 1.221 9 residues pruned to eliminate duplicates Z: 9 10.376 1.787 0.490 0.487 1.000 0.500 CA 1.396 8 residues pruned to eliminate duplicates Z: 9 7.608 1.670 0.561 0.607 0.750 0.500 CB 1.242 9 residues pruned to eliminate duplicates Z: 9 8.245 1.700 0.490 0.617 0.875 0.625 CA 1.177 8 residues pruned to eliminate duplicates Z: 9 9.161 1.715 0.507 0.616 0.875 0.250 CB 1.283 9 residues pruned to eliminate duplicates Z: 23 25.844 2.295 0.651 0.565 0.909 0.682 CB 1.502 23 residues pruned to eliminate duplicates Z: 24 19.714 2.202 0.470 0.510 0.913 0.565 CB 1.376 24 residues pruned to eliminate duplicates Z: 24 27.920 2.268 0.692 0.594 1.000 0.652 CB 1.387 24 residues pruned to eliminate duplicates Z: 24 24.967 2.270 0.619 0.579 0.957 0.739 CB 1.372 24 residues pruned to eliminate duplicates Z: 23 24.780 2.258 0.564 0.554 0.955 0.636 CB 1.486 23 residues pruned to eliminate duplicates Z: 24 24.610 2.240 0.493 0.595 1.000 0.652 CB 1.402 24 residues pruned to eliminate duplicates Z: 24 27.128 2.264 0.701 0.583 0.957 0.609 CB 1.418 24 residues pruned to eliminate duplicates Z: 24 23.620 2.240 0.632 0.560 0.870 0.652 CB 1.461 24 residues pruned to eliminate duplicates Z: 25 24.708 2.217 0.632 0.565 0.958 0.625 CB 1.366 25 residues pruned to eliminate duplicates Z: 23 25.422 2.253 0.632 0.571 0.909 0.591 CB 1.515 23 residues pruned to eliminate duplicates Z: 25 23.232 2.188 0.633 0.530 0.917 0.583 CB 1.405 25 residues pruned to eliminate duplicates Z: 23 27.904 2.273 0.744 0.573 0.955 0.682 CB 1.466 23 residues pruned to eliminate duplicates Z: 25 24.272 2.210 0.642 0.559 0.958 0.667 CB 1.345 25 residues pruned to eliminate duplicates Z: 13 14.277 2.226 0.674 0.570 0.833 0.583 CB 1.241 13 residues pruned to eliminate duplicates Z: 24 26.960 2.265 0.731 0.578 0.957 0.565 CB 1.390 24 residues pruned to eliminate duplicates Z: 24 21.788 2.222 0.513 0.564 0.913 0.565 CB 1.391 24 residues pruned to eliminate duplicates Z: 25 23.068 2.199 0.572 0.562 0.958 0.542 CB 1.339 25 residues pruned to eliminate duplicates Z: 24 25.544 2.251 0.801 0.578 0.913 0.609 CB 1.335 24 residues pruned to eliminate duplicates Z: 24 26.559 2.221 0.750 0.590 0.957 0.652 CB 1.366 24 residues pruned to eliminate duplicates Z: 24 29.251 2.264 0.728 0.584 1.000 0.609 CB 1.437 24 residues pruned to eliminate duplicates Z: 25 25.409 2.202 0.716 0.571 0.958 0.625 CB 1.337 25 residues pruned to eliminate duplicates Z: 24 28.541 2.250 0.756 0.596 1.000 0.609 CB 1.373 24 residues pruned to eliminate duplicates Z: 16 20.236 2.013 0.318 0.910 1.000 0.800 CB 1.396 16 residues pruned to eliminate duplicates Z: 18 23.729 1.894 0.645 0.896 1.000 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 18 20.461 1.883 0.533 0.880 0.941 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 18 20.495 1.839 0.628 0.844 0.941 0.706 CB 1.313 18 residues pruned to eliminate duplicates Z: 15 22.130 2.007 0.590 0.858 1.000 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 16 21.107 1.981 0.483 0.844 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 26 18.285 1.778 0.521 0.722 0.960 0.520 CB 1.153 45 residues pruned to eliminate duplicates Z: 18 24.603 1.888 0.681 0.894 1.000 0.588 CB 1.349 Z: 17 22.954 1.929 0.592 0.875 1.000 0.562 CB 1.359 17 residues pruned to eliminate duplicates Z: 16 21.973 2.004 0.602 0.821 1.000 0.400 CB 1.338 16 residues pruned to eliminate duplicates Z: 18 23.071 1.879 0.731 0.885 0.941 0.647 CB 1.320 18 residues pruned to eliminate duplicates Z: 18 23.620 1.884 0.723 0.897 0.941 0.588 CB 1.342 18 residues pruned to eliminate duplicates Z: 18 21.671 1.884 0.667 0.841 0.941 0.529 CB 1.326 18 residues pruned to eliminate duplicates Z: 18 22.976 1.859 0.696 0.850 1.000 0.529 CB 1.309 19 residues pruned to eliminate duplicates Z: 18 25.511 1.878 0.753 0.907 1.000 0.647 CB 1.336 17 residues pruned to eliminate duplicates Z: 18 21.975 1.917 0.606 0.913 1.000 0.824 CB 1.225 18 residues pruned to eliminate duplicates Z: 6 7.397 1.808 0.241 0.808 1.000 0.800 CB 1.127 6 residues pruned to eliminate duplicates Z: 18 22.477 1.934 0.611 0.903 1.000 0.765 CB 1.248 18 residues pruned to eliminate duplicates Z: 17 23.954 1.989 0.652 0.906 1.000 0.625 CB 1.296 18 residues pruned to eliminate duplicates Z: 13 22.407 1.885 0.856 0.921 1.000 1.000 CB 1.301 13 residues pruned to eliminate duplicates Z: 19 21.758 1.873 0.659 0.863 1.000 0.778 CB 1.211 18 residues pruned to eliminate duplicates Z: 17 24.092 1.969 0.775 0.948 1.000 1.000 CB 1.190 19 residues pruned to eliminate duplicates Z: 18 24.486 1.935 0.698 0.921 1.000 0.824 CB 1.271 17 residues pruned to eliminate duplicates Z: 18 24.742 1.918 0.772 0.924 1.000 0.824 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 21.240 1.840 0.666 0.919 1.000 0.556 CB 1.151 19 residues pruned to eliminate duplicates Z: 19 22.843 1.879 0.652 0.913 1.000 0.611 CB 1.227 18 residues pruned to eliminate duplicates Z: 18 21.943 1.922 0.600 0.889 1.000 0.647 CB 1.246 18 residues pruned to eliminate duplicates Z: 12 22.814 2.079 0.749 0.924 1.000 0.636 CB 1.329 12 residues pruned to eliminate duplicates Z: 18 19.199 1.911 0.614 0.880 0.941 0.471 CB 1.162 18 residues pruned to eliminate duplicates Z: 19 20.051 1.863 0.619 0.852 1.000 0.500 CB 1.159 19 residues pruned to eliminate duplicates Z: 14 12.566 1.815 0.385 0.732 0.846 0.692 CB 1.330 14 residues pruned to eliminate duplicates Z: 16 21.272 1.892 0.551 0.901 1.000 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 16 17.459 1.958 0.575 0.854 0.867 0.733 CB 1.245 16 residues pruned to eliminate duplicates Z: 16 22.189 1.981 0.630 0.912 1.000 0.733 CB 1.256 18 residues pruned to eliminate duplicates Z: 16 23.139 1.972 0.574 0.892 1.000 0.667 CB 1.384 16 residues pruned to eliminate duplicates Z: 15 21.572 1.873 0.663 0.924 1.000 0.857 CB 1.300 14 residues pruned to eliminate duplicates Z: 16 17.439 1.941 0.348 0.908 0.933 0.800 CB 1.310 16 residues pruned to eliminate duplicates Z: 17 22.562 1.885 0.608 0.911 1.000 0.688 CB 1.319 17 residues pruned to eliminate duplicates Z: 17 21.772 1.883 0.501 0.892 1.000 0.625 CB 1.383 17 residues pruned to eliminate duplicates Z: 17 22.489 1.906 0.505 0.916 1.000 0.812 CB 1.384 17 residues pruned to eliminate duplicates Z: 16 22.117 1.989 0.489 0.902 1.000 0.733 CB 1.374 16 residues pruned to eliminate duplicates Z: 19 18.565 1.788 0.673 0.806 0.944 0.611 CB 1.186 19 residues pruned to eliminate duplicates Z: 17 20.680 1.893 0.565 0.881 0.938 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 16 21.297 1.994 0.586 0.870 0.933 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 17 20.143 1.872 0.583 0.907 1.000 0.625 CB 1.207 17 residues pruned to eliminate duplicates Z: 7 5.370 1.497 0.389 0.664 1.000 0.500 CB 0.905 7 residues pruned to eliminate duplicates Z: 7 3.506 1.616 0.195 0.369 0.833 0.500 CB 1.024 7 residues pruned to eliminate duplicates Z: 18 26.204 1.952 0.785 0.898 1.000 0.882 CB 1.304 19 residues pruned to eliminate duplicates Z: 18 23.878 1.920 0.706 0.898 1.000 0.882 CB 1.265 18 residues pruned to eliminate duplicates Z: 20 21.698 1.831 0.759 0.821 1.000 0.684 CB 1.170 20 residues pruned to eliminate duplicates Z: 19 23.121 1.868 0.766 0.853 0.944 0.667 CB 1.293 19 residues pruned to eliminate duplicates Z: 18 25.749 1.949 0.730 0.913 1.000 0.706 CB 1.311 18 residues pruned to eliminate duplicates Z: 18 27.204 1.935 0.839 0.924 1.000 0.882 CB 1.302 18 residues pruned to eliminate duplicates Z: 18 23.630 1.938 0.677 0.905 1.000 0.882 CB 1.255 18 residues pruned to eliminate duplicates Z: 19 24.270 1.903 0.831 0.862 1.000 0.778 CB 1.205 19 residues pruned to eliminate duplicates Z: 18 23.362 1.928 0.639 0.902 1.000 0.824 CB 1.279 18 residues pruned to eliminate duplicates Z: 18 28.014 1.957 0.959 0.918 1.000 0.765 CB 1.250 18 residues pruned to eliminate duplicates Z: 13 22.809 1.872 0.998 0.924 0.917 0.833 CB 1.349 13 residues pruned to eliminate duplicates Z: 19 23.132 1.889 0.834 0.858 0.944 0.556 CB 1.227 19 residues pruned to eliminate duplicates Z: 18 28.514 1.957 0.831 0.923 1.000 0.706 CB 1.356 18 residues pruned to eliminate duplicates Z: 13 23.002 1.891 0.844 0.934 1.000 0.167 CB 1.328 13 residues pruned to eliminate duplicates Z: 14 9.522 1.790 0.238 0.799 0.846 0.385 CB 1.084 14 residues pruned to eliminate duplicates Z: 28 21.025 1.919 0.659 0.648 0.889 0.370 CB 1.246 28 residues pruned to eliminate duplicates Z: 23 13.677 1.887 0.386 0.725 0.909 0.409 CB 1.001 23 residues pruned to eliminate duplicates Z: 27 19.869 1.891 0.669 0.639 0.808 0.346 CB 1.341 28 residues pruned to eliminate duplicates Z: 11 12.564 1.787 0.615 0.826 0.900 0.700 CB 1.154 11 residues pruned to eliminate duplicates Z: 25 16.938 1.878 0.598 0.570 0.833 0.375 CB 1.292 25 residues pruned to eliminate duplicates Z: 26 21.234 1.906 0.668 0.682 0.880 0.400 CB 1.284 26 residues pruned to eliminate duplicates Z: 30 16.525 1.874 0.509 0.582 0.862 0.483 CB 1.163 30 residues pruned to eliminate duplicates Z: 28 19.976 1.890 0.611 0.638 0.889 0.444 CB 1.248 28 residues pruned to eliminate duplicates Z: 29 19.540 1.869 0.576 0.633 0.893 0.429 CB 1.239 29 residues pruned to eliminate duplicates Z: 28 19.533 1.893 0.521 0.647 0.852 0.444 CB 1.336 28 residues pruned to eliminate duplicates Z: 24 20.751 1.989 0.483 0.632 0.957 0.478 CB 1.355 24 residues pruned to eliminate duplicates Z: 23 20.831 1.951 0.494 0.609 0.955 0.545 CB 1.440 23 residues pruned to eliminate duplicates Z: 25 18.177 1.982 0.441 0.607 0.833 0.417 CB 1.408 25 residues pruned to eliminate duplicates Z: 25 17.286 1.963 0.293 0.593 0.875 0.458 CB 1.455 25 residues pruned to eliminate duplicates Z: 14 13.826 2.025 0.704 0.500 0.769 0.462 CB 1.445 14 residues pruned to eliminate duplicates Z: 23 21.261 2.005 0.687 0.664 0.818 0.591 CB 1.407 23 residues pruned to eliminate duplicates Z: 25 18.912 1.940 0.578 0.601 0.875 0.542 CB 1.308 25 residues pruned to eliminate duplicates Z: 25 19.605 1.956 0.528 0.632 0.833 0.458 CB 1.421 25 residues pruned to eliminate duplicates Z: 14 18.931 1.963 1.013 0.562 0.923 0.385 CA 1.356 14 residues pruned to eliminate duplicates Z: 22 23.339 2.025 0.610 0.696 0.905 0.619 CB 1.443 22 residues pruned to eliminate duplicates Z: 27 17.219 1.900 0.417 0.627 0.808 0.538 CB 1.378 27 residues pruned to eliminate duplicates Z: 22 20.437 2.046 0.765 0.515 0.810 0.476 CB 1.503 22 residues pruned to eliminate duplicates Z: 21 20.726 2.015 0.521 0.693 0.950 0.750 CB 1.334 21 residues pruned to eliminate duplicates Z: 25 28.150 2.093 0.731 0.611 0.917 0.625 CB 1.558 25 residues pruned to eliminate duplicates Z: 181 70.365 2.182 0.537 0.624 0.933 0.606 CB 1.491 181 residues pruned to eliminate duplicates Z: 105 57.523 2.193 0.559 0.623 0.942 0.558 CB 1.558 105 residues pruned to eliminate duplicates Z: 35 32.086 2.204 0.535 0.668 0.941 0.676 CB 1.479 35 residues pruned to eliminate duplicates Z: 203 77.380 2.204 0.582 0.605 0.941 0.589 CB 1.502 267 residues pruned to eliminate duplicates Z: 21 27.791 2.129 0.473 0.913 0.900 0.600 CB 1.558 21 residues pruned to eliminate duplicates Z: 79 44.361 2.182 0.554 0.659 0.859 0.564 CB 1.488 79 residues pruned to eliminate duplicates Z: 85 57.723 2.253 0.601 0.619 0.964 0.560 CB 1.618 85 residues pruned to eliminate duplicates Z: 82 53.294 2.277 0.587 0.609 0.914 0.568 CB 1.618 82 residues pruned to eliminate duplicates Z: 164 65.222 2.188 0.563 0.590 0.908 0.564 CB 1.510 164 residues pruned to eliminate duplicates Z: 47 40.210 2.164 0.775 0.670 0.870 0.500 CB 1.518 47 residues pruned to eliminate duplicates Z: 25 34.658 2.200 0.823 0.757 0.917 0.542 CB 1.531 25 residues pruned to eliminate duplicates Z: 180 70.784 2.186 0.579 0.617 0.927 0.609 CB 1.479 180 residues pruned to eliminate duplicates Z: 50 36.199 2.070 0.612 0.719 0.898 0.469 CB 1.416 50 residues pruned to eliminate duplicates Z: 58 47.719 2.268 0.664 0.683 0.930 0.614 CB 1.522 58 residues pruned to eliminate duplicates Z: 108 56.441 2.173 0.634 0.621 0.907 0.570 CB 1.512 112 residues pruned to eliminate duplicates Z: 20 35.229 2.196 0.699 0.909 0.947 0.737 CA 1.623 20 residues pruned to eliminate duplicates Z: 154 70.388 2.180 0.647 0.625 0.935 0.582 CB 1.507 154 residues pruned to eliminate duplicates Z: 55 43.331 2.094 0.776 0.693 0.889 0.593 CB 1.495 55 residues pruned to eliminate duplicates Z: 20 40.941 2.217 0.864 0.924 0.947 0.579 CA 1.684 20 residues pruned to eliminate duplicates Z: 155 71.292 2.212 0.644 0.600 0.935 0.571 CB 1.537 155 residues pruned to eliminate duplicates Z: 49 36.544 2.052 0.594 0.730 0.896 0.583 CB 1.464 49 residues pruned to eliminate duplicates Z: 159 62.878 2.172 0.561 0.595 0.911 0.544 CB 1.478 159 residues pruned to eliminate duplicates Z: 128 67.696 2.215 0.676 0.623 0.945 0.559 CB 1.525 128 residues pruned to eliminate duplicates Z: 154 69.200 2.177 0.669 0.634 0.908 0.614 CB 1.495 154 residues pruned to eliminate duplicates Z: 80 49.433 2.180 0.639 0.685 0.899 0.646 CB 1.462 80 residues pruned to eliminate duplicates Z: 60 40.883 2.252 0.565 0.552 0.898 0.508 CB 1.598 60 residues pruned to eliminate duplicates Z: 135 62.555 2.206 0.594 0.583 0.948 0.567 CB 1.498 135 residues pruned to eliminate duplicates Z: 120 59.577 2.242 0.549 0.587 0.950 0.605 CB 1.523 120 residues pruned to eliminate duplicates Z: 82 57.186 2.267 0.649 0.617 0.938 0.556 CB 1.622 82 residues pruned to eliminate duplicates Z: 80 51.240 2.162 0.671 0.668 0.924 0.494 CB 1.479 80 residues pruned to eliminate duplicates Z: 37 35.936 2.184 0.832 0.692 0.861 0.528 CB 1.459 37 residues pruned to eliminate duplicates Z: 125 60.239 2.229 0.567 0.593 0.927 0.565 CB 1.528 125 residues pruned to eliminate duplicates Z: 165 72.150 2.185 0.649 0.616 0.945 0.616 CB 1.483 165 residues pruned to eliminate duplicates Z: 6 7.070 1.847 0.442 0.768 1.000 0.800 CA 0.936 6 residues pruned to eliminate duplicates Z: 58 50.450 2.274 0.776 0.664 0.930 0.579 CB 1.529 58 residues pruned to eliminate duplicates Z: 60 41.255 2.261 0.494 0.571 0.949 0.559 CA 1.564 60 residues pruned to eliminate duplicates Z: 47 40.973 2.321 0.600 0.539 0.957 0.543 CA 1.636 47 residues pruned to eliminate duplicates Z: 126 60.458 2.202 0.597 0.587 0.952 0.608 CB 1.485 126 residues pruned to eliminate duplicates Z: 9 17.622 2.282 0.652 0.694 1.000 0.500 CA 1.384 9 residues pruned to eliminate duplicates Z: 123 61.931 2.206 0.611 0.587 0.943 0.615 CB 1.540 123 residues pruned to eliminate duplicates Z: 44 40.505 2.309 0.663 0.543 0.930 0.488 CA 1.658 44 residues pruned to eliminate duplicates Z: 107 61.924 2.244 0.598 0.590 0.972 0.557 CB 1.584 107 residues pruned to eliminate duplicates Z: 104 57.450 2.206 0.650 0.626 0.913 0.476 CB 1.513 104 residues pruned to eliminate duplicates Z: 12 21.779 2.256 0.587 0.706 1.000 0.455 CA 1.522 12 residues pruned to eliminate duplicates Z: 20 28.912 2.386 0.667 0.612 0.947 0.474 CA 1.583 20 residues pruned to eliminate duplicates Z: 89 55.566 2.204 0.682 0.571 0.932 0.545 CA 1.600 89 residues pruned to eliminate duplicates Z: 42 37.184 2.273 0.638 0.505 0.951 0.439 CA 1.632 42 residues pruned to eliminate duplicates Z: 48 38.105 2.278 0.560 0.528 0.936 0.468 CA 1.626 48 residues pruned to eliminate duplicates Z: 122 60.664 2.199 0.643 0.574 0.917 0.512 CB 1.549 122 residues pruned to eliminate duplicates Z: 19 26.924 2.392 0.656 0.657 0.889 0.611 CA 1.558 19 residues pruned to eliminate duplicates Z: 106 61.802 2.244 0.641 0.581 0.952 0.629 CB 1.592 106 residues pruned to eliminate duplicates Z: 64 49.064 2.272 0.619 0.527 0.952 0.556 CA 1.717 64 residues pruned to eliminate duplicates Z: 25 32.717 2.349 0.691 0.573 1.000 0.375 CA 1.567 25 residues pruned to eliminate duplicates Z: 123 62.320 2.204 0.610 0.593 0.934 0.615 CB 1.556 123 residues pruned to eliminate duplicates Z: 53 34.478 2.208 0.496 0.508 0.923 0.577 CB 1.555 53 residues pruned to eliminate duplicates Z: 123 59.515 2.193 0.587 0.580 0.934 0.574 CB 1.534 123 residues pruned to eliminate duplicates Z: 144 70.319 2.214 0.643 0.609 0.958 0.531 CB 1.522 144 residues pruned to eliminate duplicates Z: 145 70.990 2.224 0.679 0.619 0.931 0.514 CB 1.522 145 residues pruned to eliminate duplicates Z: 90 61.263 2.245 0.678 0.582 0.978 0.539 CB 1.630 90 residues pruned to eliminate duplicates Z: 111 57.978 2.245 0.562 0.596 0.936 0.518 CB 1.537 111 residues pruned to eliminate duplicates Z: 64 48.985 2.275 0.658 0.554 0.921 0.571 CA 1.687 64 residues pruned to eliminate duplicates Z: 64 51.311 2.264 0.728 0.530 0.952 0.619 CA 1.684 64 residues pruned to eliminate duplicates Z: 92 57.946 2.225 0.739 0.581 0.923 0.516 CB 1.573 92 residues pruned to eliminate duplicates Z: 107 59.325 2.250 0.619 0.571 0.934 0.528 CB 1.581 107 residues pruned to eliminate duplicates Z: 102 61.467 2.230 0.693 0.559 0.970 0.653 CB 1.575 102 residues pruned to eliminate duplicates Z: 62 39.201 2.256 0.519 0.449 0.951 0.459 CA 1.622 62 residues pruned to eliminate duplicates Z: 108 57.113 2.232 0.565 0.573 0.935 0.589 CB 1.576 108 residues pruned to eliminate duplicates Z: 27 30.209 2.240 0.606 0.502 0.962 0.654 CA 1.710 27 residues pruned to eliminate duplicates Z: 126 58.828 2.184 0.595 0.575 0.936 0.560 CB 1.500 126 residues pruned to eliminate duplicates Z: 45 38.397 2.275 0.725 0.536 0.909 0.568 CA 1.567 45 residues pruned to eliminate duplicates Z: 110 57.222 2.234 0.591 0.586 0.936 0.578 CB 1.518 110 residues pruned to eliminate duplicates Z: 25 24.923 2.191 0.619 0.484 0.917 0.542 CA 1.590 25 residues pruned to eliminate duplicates Z: 106 59.149 2.234 0.660 0.554 0.924 0.619 CB 1.599 106 residues pruned to eliminate duplicates Z: 123 60.095 2.189 0.589 0.575 0.951 0.598 CB 1.531 123 residues pruned to eliminate duplicates Z: 42 34.069 2.103 0.706 0.499 0.927 0.488 CB 1.601 42 residues pruned to eliminate duplicates Z: 47 36.415 2.253 0.660 0.504 0.957 0.500 CA 1.496 47 residues pruned to eliminate duplicates Z: 64 41.766 2.221 0.608 0.516 0.889 0.571 CA 1.631 64 residues pruned to eliminate duplicates Z: 48 38.337 2.216 0.701 0.504 0.936 0.447 CA 1.579 48 residues pruned to eliminate duplicates Z: 108 58.267 2.234 0.595 0.561 0.953 0.561 CB 1.564 108 residues pruned to eliminate duplicates Z: 47 33.934 2.157 0.590 0.480 0.935 0.652 CB 1.593 47 residues pruned to eliminate duplicates Z: 111 54.420 2.235 0.553 0.573 0.936 0.600 CB 1.488 111 residues pruned to eliminate duplicates Z: 89 48.483 2.195 0.580 0.567 0.943 0.591 CB 1.481 89 residues pruned to eliminate duplicates Z: 123 58.820 2.192 0.590 0.580 0.934 0.607 CB 1.514 123 residues pruned to eliminate duplicates Z: 47 38.024 2.170 0.652 0.619 0.957 0.739 CB 1.462 47 residues pruned to eliminate duplicates Z: 109 59.915 2.229 0.635 0.596 0.926 0.593 CB 1.559 109 residues pruned to eliminate duplicates Z: 64 48.840 2.249 0.738 0.500 0.968 0.571 CA 1.626 64 residues pruned to eliminate duplicates Z: 108 61.902 2.241 0.669 0.582 0.953 0.589 CB 1.551 108 residues pruned to eliminate duplicates Z: 78 41.675 2.149 0.566 0.610 0.922 0.597 CB 1.380 78 residues pruned to eliminate duplicates Z: 79 43.908 2.142 0.595 0.609 0.974 0.692 CB 1.346 79 residues pruned to eliminate duplicates Z: 60 40.252 2.174 0.568 0.607 0.949 0.729 CB 1.464 60 residues pruned to eliminate duplicates Z: 84 38.589 2.086 0.508 0.598 0.892 0.590 CB 1.375 84 residues pruned to eliminate duplicates Z: 134 59.526 2.175 0.600 0.560 0.940 0.632 CB 1.489 134 residues pruned to eliminate duplicates Z: 102 50.882 2.178 0.580 0.561 0.941 0.574 CB 1.473 102 residues pruned to eliminate duplicates Z: 77 42.898 2.155 0.538 0.597 0.961 0.605 CB 1.409 77 residues pruned to eliminate duplicates Z: 91 58.400 2.206 0.650 0.569 0.978 0.611 CB 1.618 91 residues pruned to eliminate duplicates Z: 82 46.396 2.199 0.603 0.546 0.901 0.605 CB 1.552 82 residues pruned to eliminate duplicates Z: 64 40.884 2.196 0.574 0.610 0.937 0.683 CB 1.434 64 residues pruned to eliminate duplicates Z: 106 62.917 2.242 0.673 0.579 0.981 0.619 CB 1.547 106 residues pruned to eliminate duplicates Z: 29 27.688 2.095 0.775 0.514 0.964 0.714 CB 1.439 29 residues pruned to eliminate duplicates Z: 90 54.612 2.219 0.591 0.574 0.955 0.607 CA 1.599 90 residues pruned to eliminate duplicates Z: 94 47.684 2.083 0.616 0.595 0.968 0.613 CB 1.386 94 residues pruned to eliminate duplicates Z: 47 35.993 2.171 0.682 0.601 0.891 0.630 CB 1.481 47 residues pruned to eliminate duplicates Z: 106 58.513 2.233 0.657 0.562 0.924 0.600 CB 1.573 106 residues pruned to eliminate duplicates Z: 91 55.907 2.238 0.673 0.578 0.922 0.589 CB 1.583 91 residues pruned to eliminate duplicates Z: 106 52.562 2.135 0.619 0.592 0.924 0.648 CB 1.471 106 residues pruned to eliminate duplicates Z: 102 51.606 2.150 0.619 0.582 0.941 0.604 CB 1.449 102 residues pruned to eliminate duplicates Z: 105 60.331 2.224 0.742 0.562 0.942 0.663 CB 1.526 105 residues pruned to eliminate duplicates Z: 122 60.497 2.190 0.613 0.583 0.950 0.579 CB 1.512 122 residues pruned to eliminate duplicates Z: 107 62.552 2.234 0.645 0.589 0.962 0.632 CB 1.577 107 residues pruned to eliminate duplicates Z: 62 36.293 2.157 0.515 0.584 0.951 0.607 CB 1.380 62 residues pruned to eliminate duplicates Z: 106 60.750 2.218 0.710 0.560 0.952 0.629 CB 1.548 106 residues pruned to eliminate duplicates Z: 86 46.836 2.186 0.609 0.569 0.894 0.588 CB 1.511 86 residues pruned to eliminate duplicates Z: 135 62.249 2.201 0.639 0.583 0.933 0.612 CB 1.475 135 residues pruned to eliminate duplicates Z: 80 40.941 2.116 0.557 0.606 0.911 0.582 CB 1.386 80 residues pruned to eliminate duplicates Z: 106 58.880 2.233 0.692 0.555 0.933 0.581 CB 1.545 106 residues pruned to eliminate duplicates Z: 61 39.466 2.184 0.591 0.593 0.933 0.650 CB 1.437 61 residues pruned to eliminate duplicates Z: 105 65.088 2.233 0.735 0.575 0.971 0.635 CB 1.578 105 residues pruned to eliminate duplicates Z: 105 58.727 2.199 0.695 0.569 0.942 0.644 CB 1.534 105 residues pruned to eliminate duplicates Z: 53 25.900 2.036 0.420 0.599 0.904 0.673 CB 1.250 53 residues pruned to eliminate duplicates Z: 44 32.635 2.145 0.630 0.620 0.907 0.605 CB 1.401 44 residues pruned to eliminate duplicates Z: 123 62.093 2.174 0.691 0.583 0.934 0.648 CB 1.511 123 residues pruned to eliminate duplicates Z: 107 61.325 2.240 0.712 0.573 0.934 0.651 CB 1.550 107 residues pruned to eliminate duplicates Z: 109 55.803 2.214 0.611 0.569 0.935 0.528 CB 1.506 109 residues pruned to eliminate duplicates Z: 50 28.061 2.056 0.556 0.606 0.898 0.592 CB 1.261 50 residues pruned to eliminate duplicates Z: 47 32.506 2.160 0.653 0.610 0.935 0.543 CB 1.294 47 residues pruned to eliminate duplicates Z: 60 36.677 2.128 0.680 0.638 0.881 0.695 CB 1.332 60 residues pruned to eliminate duplicates Z: 123 58.720 2.168 0.648 0.580 0.926 0.631 CB 1.487 123 residues pruned to eliminate duplicates Z: 105 51.504 2.159 0.655 0.572 0.913 0.615 CB 1.443 105 residues pruned to eliminate duplicates Z: 82 45.812 2.120 0.616 0.609 0.951 0.654 CB 1.408 82 residues pruned to eliminate duplicates Z: 108 63.330 2.231 0.712 0.559 0.963 0.617 CB 1.572 108 residues pruned to eliminate duplicates Z: 82 43.936 2.080 0.689 0.598 0.926 0.506 CB 1.367 82 residues pruned to eliminate duplicates Z: 106 58.541 2.240 0.645 0.556 0.924 0.629 CB 1.590 106 residues pruned to eliminate duplicates Z: 21 18.647 2.171 0.365 0.592 0.950 0.550 CB 1.357 21 residues pruned to eliminate duplicates Z: 122 61.955 2.196 0.679 0.569 0.942 0.603 CB 1.517 122 residues pruned to eliminate duplicates Z: 106 64.483 2.245 0.709 0.573 0.962 0.619 CB 1.588 106 residues pruned to eliminate duplicates Z: 104 49.596 2.108 0.644 0.567 0.942 0.592 CB 1.403 104 residues pruned to eliminate duplicates Z: 181 72.071 2.162 0.659 0.611 0.917 0.561 CB 1.470 181 residues pruned to eliminate duplicates Z: 10 9.685 1.816 0.425 0.743 0.778 0.444 CA 1.291 10 residues pruned to eliminate duplicates Z: 49 31.513 2.102 0.669 0.638 0.917 0.562 CB 1.243 49 residues pruned to eliminate duplicates Z: 70 42.808 2.134 0.670 0.590 0.971 0.638 CB 1.366 70 residues pruned to eliminate duplicates Z: 59 34.274 2.069 0.639 0.577 0.879 0.552 CB 1.401 59 residues pruned to eliminate duplicates Z: 122 59.673 2.198 0.599 0.567 0.950 0.587 CB 1.522 122 residues pruned to eliminate duplicates Z: 108 57.665 2.217 0.632 0.568 0.953 0.645 CB 1.513 108 residues pruned to eliminate duplicates Z: 103 45.781 2.110 0.594 0.530 0.922 0.598 CB 1.420 103 residues pruned to eliminate duplicates Z: 34 23.009 2.065 0.631 0.528 0.909 0.515 CB 1.273 34 residues pruned to eliminate duplicates Z: 32 24.983 2.102 0.474 0.615 0.968 0.677 CB 1.342 32 residues pruned to eliminate duplicates Z: 159 74.756 2.203 0.704 0.597 0.956 0.608 CB 1.511 159 residues pruned to eliminate duplicates Z: 78 43.748 2.113 0.722 0.576 0.948 0.584 CB 1.343 78 residues pruned to eliminate duplicates Z: 23 17.739 1.964 0.580 0.625 1.000 0.545 CB 1.084 23 residues pruned to eliminate duplicates Z: 99 46.747 2.115 0.681 0.544 0.888 0.531 CB 1.433 99 residues pruned to eliminate duplicates Z: 27 17.720 2.005 0.533 0.573 0.923 0.615 CB 1.141 27 residues pruned to eliminate duplicates Z: 34 19.022 1.954 0.475 0.485 0.909 0.576 CB 1.284 34 residues pruned to eliminate duplicates Z: 14 15.131 1.845 0.765 0.519 0.923 0.462 CA 1.369 14 residues pruned to eliminate duplicates Z: 14 10.387 1.842 0.712 0.551 0.846 0.462 CB 1.027 14 residues pruned to eliminate duplicates Z: 15 12.111 1.792 0.743 0.525 0.857 0.643 CB 1.179 15 residues pruned to eliminate duplicates Z: 13 12.973 1.904 0.627 0.590 0.833 0.417 CB 1.331 13 residues pruned to eliminate duplicates Z: 59 39.457 2.104 0.614 0.587 0.966 0.569 CB 1.453 59 residues pruned to eliminate duplicates Z: 122 60.948 2.196 0.696 0.554 0.934 0.504 CB 1.510 122 residues pruned to eliminate duplicates Z: 13 12.711 1.906 0.604 0.539 1.000 0.500 CB 1.155 13 residues pruned to eliminate duplicates Z: 86 37.967 2.079 0.612 0.525 0.906 0.565 CB 1.324 86 residues pruned to eliminate duplicates Z: 44 34.780 2.157 0.556 0.625 0.930 0.651 CB 1.510 44 residues pruned to eliminate duplicates Z: 41 37.865 2.221 0.508 0.646 0.975 0.675 CB 1.600 41 residues pruned to eliminate duplicates Z: 32 29.606 2.241 0.441 0.644 0.903 0.839 CA 1.594 32 residues pruned to eliminate duplicates Z: 36 26.009 2.117 0.490 0.619 0.943 0.629 CB 1.321 36 residues pruned to eliminate duplicates Z: 41 38.278 2.261 0.500 0.661 0.950 0.700 CA 1.619 41 residues pruned to eliminate duplicates Z: 44 37.782 2.178 0.697 0.560 0.977 0.628 CB 1.505 44 residues pruned to eliminate duplicates Z: 48 36.920 2.175 0.618 0.626 0.936 0.574 CB 1.452 48 residues pruned to eliminate duplicates Z: 48 29.262 2.053 0.543 0.535 0.957 0.681 CB 1.360 48 residues pruned to eliminate duplicates Z: 47 39.848 2.182 0.687 0.612 0.957 0.674 CB 1.500 47 residues pruned to eliminate duplicates Z: 44 41.648 2.243 0.723 0.630 0.907 0.651 CA 1.604 44 residues pruned to eliminate duplicates Z: 47 34.944 2.174 0.733 0.580 0.848 0.674 CB 1.493 47 residues pruned to eliminate duplicates Z: 60 41.701 2.210 0.647 0.584 0.898 0.559 CB 1.531 60 residues pruned to eliminate duplicates Z: 64 36.531 2.055 0.641 0.591 0.937 0.619 CB 1.335 64 residues pruned to eliminate duplicates Z: 45 40.467 2.232 0.664 0.611 0.932 0.568 CB 1.587 45 residues pruned to eliminate duplicates Z: 45 40.787 2.257 0.612 0.629 0.955 0.614 CB 1.568 45 residues pruned to eliminate duplicates Z: 46 42.373 2.228 0.638 0.629 0.978 0.667 CB 1.567 46 residues pruned to eliminate duplicates Z: 63 34.056 2.069 0.531 0.580 0.935 0.661 CB 1.351 63 residues pruned to eliminate duplicates Z: 38 35.753 2.184 0.728 0.629 0.892 0.676 CB 1.547 38 residues pruned to eliminate duplicates Z: 48 39.769 2.207 0.541 0.653 0.936 0.681 CB 1.580 48 residues pruned to eliminate duplicates Z: 43 39.892 2.210 0.663 0.581 0.952 0.548 CB 1.628 43 residues pruned to eliminate duplicates Z: 62 40.374 2.097 0.627 0.616 0.967 0.689 CB 1.404 62 residues pruned to eliminate duplicates Z: 47 38.149 2.210 0.655 0.619 0.913 0.630 CB 1.504 47 residues pruned to eliminate duplicates Z: 46 36.374 2.193 0.545 0.609 0.978 0.644 CB 1.477 46 residues pruned to eliminate duplicates Z: 35 37.983 2.240 0.707 0.681 0.912 0.735 CA 1.583 35 residues pruned to eliminate duplicates Z: 33 32.214 2.229 0.495 0.675 0.938 0.625 CA 1.551 33 residues pruned to eliminate duplicates Z: 45 39.730 2.224 0.746 0.611 0.886 0.568 CB 1.567 45 residues pruned to eliminate duplicates Z: 57 31.505 1.995 0.599 0.588 0.946 0.589 CB 1.283 57 residues pruned to eliminate duplicates Z: 64 43.865 2.166 0.682 0.609 0.921 0.603 CB 1.486 62 residues pruned to eliminate duplicates Z: 6 2.763 1.524 0.501 0.351 0.600 0.600 CB 1.057 6 residues pruned to eliminate duplicates Z: 57 39.534 2.152 0.733 0.559 0.929 0.643 CB 1.440 57 residues pruned to eliminate duplicates Z: 46 40.096 2.187 0.745 0.621 0.911 0.533 CB 1.534 46 residues pruned to eliminate duplicates Z: 47 39.392 2.200 0.710 0.608 0.913 0.522 CB 1.526 47 residues pruned to eliminate duplicates Z: 63 43.105 2.158 0.675 0.568 0.968 0.645 CB 1.465 63 residues pruned to eliminate duplicates Z: 9 12.509 2.133 0.269 0.544 1.000 0.500 CA 1.565 9 residues pruned to eliminate duplicates Z: 56 38.403 2.128 0.623 0.578 0.964 0.709 CB 1.444 56 residues pruned to eliminate duplicates Z: 47 38.159 2.187 0.654 0.618 0.935 0.609 CB 1.488 47 residues pruned to eliminate duplicates Z: 62 38.497 2.167 0.619 0.580 0.852 0.508 CB 1.526 62 residues pruned to eliminate duplicates Z: 71 36.340 2.103 0.557 0.572 0.886 0.600 CB 1.398 71 residues pruned to eliminate duplicates Z: 45 39.668 2.251 0.601 0.613 0.955 0.591 CB 1.562 45 residues pruned to eliminate duplicates Z: 34 29.398 2.134 0.583 0.570 0.939 0.545 CB 1.507 34 residues pruned to eliminate duplicates Z: 76 45.272 2.097 0.769 0.556 0.947 0.520 CB 1.409 63 residues pruned to eliminate duplicates Z: 6 8.514 2.042 0.660 0.316 1.000 0.800 CB 1.377 6 residues pruned to eliminate duplicates Z: 15 18.100 2.062 0.573 0.522 0.929 0.857 CB 1.571 15 residues pruned to eliminate duplicates Z: 80 41.138 2.068 0.568 0.581 0.962 0.671 CB 1.372 80 residues pruned to eliminate duplicates Z: 61 41.983 2.171 0.684 0.586 0.933 0.617 CB 1.463 61 residues pruned to eliminate duplicates Z: 80 42.411 2.075 0.595 0.606 0.949 0.696 CB 1.373 80 residues pruned to eliminate duplicates Z: 25 21.988 2.101 0.534 0.614 0.958 0.542 CB 1.305 25 residues pruned to eliminate duplicates Z: 76 39.597 2.090 0.651 0.584 0.933 0.667 CB 1.309 76 residues pruned to eliminate duplicates Z: 33 29.824 2.150 0.749 0.573 0.906 0.562 CB 1.442 33 residues pruned to eliminate duplicates Z: 85 42.945 2.022 0.656 0.595 0.964 0.655 CB 1.325 85 residues pruned to eliminate duplicates Z: 61 42.637 2.189 0.600 0.608 0.967 0.667 CB 1.468 61 residues pruned to eliminate duplicates Z: 63 39.307 2.150 0.597 0.568 0.919 0.613 CB 1.480 63 residues pruned to eliminate duplicates Z: 81 42.071 2.125 0.494 0.639 0.900 0.600 CB 1.446 84 residues pruned to eliminate duplicates Z: 11 11.941 1.823 0.220 0.863 0.900 0.900 CB 1.384 11 residues pruned to eliminate duplicates Z: 26 18.610 1.891 0.545 0.613 0.920 0.560 CA 1.244 26 residues pruned to eliminate duplicates Z: 24 20.890 1.939 0.602 0.658 0.870 0.609 CB 1.392 24 residues pruned to eliminate duplicates Z: 23 21.039 1.940 0.449 0.712 0.955 0.727 CB 1.380 23 residues pruned to eliminate duplicates Z: 22 20.313 1.983 0.447 0.723 0.905 0.714 CB 1.396 22 residues pruned to eliminate duplicates Z: 31 16.507 1.774 0.345 0.616 0.867 0.567 CB 1.305 31 residues pruned to eliminate duplicates Z: 22 18.919 1.964 0.496 0.670 0.857 0.571 CA 1.401 22 residues pruned to eliminate duplicates Z: 28 19.557 1.910 0.457 0.660 0.852 0.556 CB 1.369 28 residues pruned to eliminate duplicates Z: 22 21.745 1.943 0.554 0.705 0.905 0.714 CB 1.441 22 residues pruned to eliminate duplicates Z: 13 24.676 2.011 0.952 0.722 1.000 0.583 CA 1.485 13 residues pruned to eliminate duplicates Z: 27 15.686 1.822 0.431 0.588 0.846 0.269 CB 1.281 25 residues pruned to eliminate duplicates Z: 23 34.528 2.181 0.656 0.837 1.000 0.818 CB 1.525 23 residues pruned to eliminate duplicates Z: 127 67.233 2.227 0.637 0.598 0.944 0.595 CB 1.585 127 residues pruned to eliminate duplicates Z: 37 32.170 2.226 0.554 0.662 0.917 0.694 CB 1.455 37 residues pruned to eliminate duplicates Z: 158 68.307 2.222 0.539 0.604 0.943 0.605 CB 1.533 158 residues pruned to eliminate duplicates Z: 127 65.432 2.245 0.590 0.599 0.921 0.579 CB 1.614 127 residues pruned to eliminate duplicates Z: 34 33.093 2.183 0.712 0.671 0.909 0.545 CB 1.448 34 residues pruned to eliminate duplicates Z: 29 31.559 2.060 0.702 0.648 0.964 0.571 CB 1.536 29 residues pruned to eliminate duplicates Z: 24 38.989 2.250 0.813 0.787 0.957 0.652 CB 1.619 24 residues pruned to eliminate duplicates Z: 143 67.486 2.228 0.578 0.626 0.937 0.577 CB 1.527 143 residues pruned to eliminate duplicates Z: 34 41.423 2.276 0.857 0.720 0.909 0.545 CB 1.538 34 residues pruned to eliminate duplicates Z: 27 34.978 2.132 0.852 0.775 0.923 0.577 CB 1.476 27 residues pruned to eliminate duplicates Z: 59 52.124 2.267 0.726 0.660 0.948 0.517 CB 1.591 59 residues pruned to eliminate duplicates Z: 37 36.178 2.254 0.775 0.703 0.889 0.500 CB 1.410 37 residues pruned to eliminate duplicates Z: 84 57.822 2.261 0.642 0.612 0.952 0.530 CB 1.616 84 residues pruned to eliminate duplicates Z: 127 67.992 2.226 0.644 0.615 0.952 0.556 CB 1.560 127 residues pruned to eliminate duplicates Z: 100 63.803 2.259 0.654 0.608 0.960 0.525 CB 1.614 100 residues pruned to eliminate duplicates Z: 25 35.504 2.241 0.770 0.764 0.917 0.500 CB 1.576 25 residues pruned to eliminate duplicates Z: 58 44.502 2.264 0.563 0.662 0.947 0.596 CB 1.514 58 residues pruned to eliminate duplicates Z: 35 36.710 2.252 0.809 0.676 0.882 0.471 CB 1.490 35 residues pruned to eliminate duplicates Z: 157 67.005 2.206 0.574 0.598 0.923 0.538 CB 1.525 157 residues pruned to eliminate duplicates Z: 103 55.236 2.247 0.592 0.565 0.902 0.569 CB 1.591 103 residues pruned to eliminate duplicates Z: 128 66.720 2.245 0.634 0.604 0.929 0.567 CB 1.573 128 residues pruned to eliminate duplicates Z: 36 34.756 2.250 0.627 0.690 0.914 0.543 CB 1.476 36 residues pruned to eliminate duplicates Z: 100 59.906 2.264 0.578 0.604 0.939 0.586 CB 1.626 100 residues pruned to eliminate duplicates Z: 141 68.070 2.240 0.571 0.598 0.964 0.529 CB 1.544 141 residues pruned to eliminate duplicates Z: 160 66.995 2.204 0.561 0.607 0.925 0.591 CB 1.510 160 residues pruned to eliminate duplicates Z: 61 43.517 2.208 0.743 0.629 0.883 0.583 CB 1.464 61 residues pruned to eliminate duplicates Z: 32 28.288 2.282 0.472 0.631 0.935 0.516 CA 1.430 32 residues pruned to eliminate duplicates Z: 176 65.558 2.198 0.502 0.566 0.937 0.594 CB 1.502 248 residues pruned to eliminate duplicates Z: 15 13.031 2.226 0.162 0.748 0.857 0.714 CB 1.258 15 residues pruned to eliminate duplicates Z: 127 65.009 2.232 0.547 0.611 0.960 0.627 CB 1.572 127 residues pruned to eliminate duplicates Z: 37 34.349 2.240 0.735 0.670 0.889 0.556 CB 1.416 37 residues pruned to eliminate duplicates Z: 145 67.087 2.229 0.636 0.604 0.924 0.590 CB 1.504 145 residues pruned to eliminate duplicates Z: 36 30.423 2.310 0.357 0.637 0.943 0.600 CA 1.530 36 residues pruned to eliminate duplicates Z: 126 64.743 2.231 0.598 0.614 0.944 0.568 CB 1.545 126 residues pruned to eliminate duplicates Z: 105 50.906 2.204 0.507 0.571 0.913 0.577 CB 1.536 105 residues pruned to eliminate duplicates Z: 94 54.580 2.208 0.616 0.582 0.925 0.559 CB 1.584 94 residues pruned to eliminate duplicates Z: 77 48.054 2.236 0.526 0.546 0.947 0.592 CA 1.629 77 residues pruned to eliminate duplicates Z: 55 45.145 2.224 0.632 0.584 0.963 0.556 CA 1.622 55 residues pruned to eliminate duplicates Z: 70 46.413 2.214 0.622 0.537 0.957 0.551 CB 1.568 70 residues pruned to eliminate duplicates Z: 61 48.367 2.270 0.610 0.657 0.933 0.550 CB 1.583 61 residues pruned to eliminate duplicates Z: 91 59.135 2.261 0.578 0.637 0.944 0.567 CB 1.627 91 residues pruned to eliminate duplicates Z: 102 53.976 2.214 0.513 0.569 0.941 0.574 CB 1.594 102 residues pruned to eliminate duplicates Z: 21 27.584 2.321 0.571 0.676 0.950 0.750 CA 1.515 21 residues pruned to eliminate duplicates Z: 182 67.595 2.169 0.572 0.558 0.939 0.630 CB 1.483 182 residues pruned to eliminate duplicates Z: 93 54.231 2.180 0.627 0.618 0.924 0.478 CB 1.544 95 residues pruned to eliminate duplicates Z: 9 11.818 2.127 0.468 0.614 1.000 0.375 CA 1.202 9 residues pruned to eliminate duplicates Z: 111 59.263 2.240 0.664 0.566 0.918 0.609 CB 1.548 111 residues pruned to eliminate duplicates Z: 107 52.852 2.223 0.529 0.552 0.934 0.519 CB 1.537 107 residues pruned to eliminate duplicates Z: 128 69.342 2.214 0.720 0.605 0.937 0.504 CB 1.561 128 residues pruned to eliminate duplicates Z: 104 58.196 2.227 0.616 0.565 0.942 0.485 CB 1.589 104 residues pruned to eliminate duplicates Z: 93 57.293 2.242 0.609 0.568 0.957 0.587 CB 1.622 93 residues pruned to eliminate duplicates Z: 92 60.197 2.247 0.635 0.581 0.978 0.560 CA 1.624 92 residues pruned to eliminate duplicates Z: 109 59.951 2.236 0.607 0.593 0.954 0.565 CB 1.540 109 residues pruned to eliminate duplicates Z: 38 41.093 2.305 0.758 0.628 0.946 0.649 CB 1.562 38 residues pruned to eliminate duplicates Z: 110 60.485 2.239 0.560 0.574 0.982 0.569 CB 1.574 110 residues pruned to eliminate duplicates Z: 66 50.850 2.250 0.666 0.551 0.954 0.554 CB 1.679 66 residues pruned to eliminate duplicates Z: 108 55.218 2.239 0.597 0.544 0.925 0.579 CB 1.545 108 residues pruned to eliminate duplicates Z: 109 56.332 2.229 0.626 0.565 0.926 0.519 CB 1.517 109 residues pruned to eliminate duplicates Z: 110 55.817 2.237 0.567 0.574 0.908 0.569 CB 1.564 110 residues pruned to eliminate duplicates Z: 102 48.646 2.179 0.525 0.557 0.921 0.535 CB 1.496 102 residues pruned to eliminate duplicates Z: 83 41.844 2.197 0.513 0.516 0.890 0.463 CB 1.538 83 residues pruned to eliminate duplicates Z: 142 64.110 2.203 0.646 0.563 0.922 0.574 CB 1.518 142 residues pruned to eliminate duplicates Z: 108 58.499 2.240 0.591 0.564 0.963 0.570 CB 1.549 108 residues pruned to eliminate duplicates Z: 95 52.994 2.227 0.618 0.550 0.915 0.543 CB 1.579 95 residues pruned to eliminate duplicates Z: 113 58.205 2.224 0.565 0.572 0.955 0.580 CB 1.542 113 residues pruned to eliminate duplicates Z: 56 36.527 2.211 0.629 0.520 0.873 0.545 CA 1.537 56 residues pruned to eliminate duplicates Z: 79 44.030 2.189 0.561 0.576 0.949 0.628 CB 1.428 79 residues pruned to eliminate duplicates Z: 142 66.691 2.234 0.617 0.604 0.929 0.553 CB 1.516 142 residues pruned to eliminate duplicates Z: 105 60.210 2.231 0.645 0.547 0.971 0.587 CB 1.582 105 residues pruned to eliminate duplicates Z: 107 58.765 2.243 0.584 0.562 0.972 0.594 CB 1.557 107 residues pruned to eliminate duplicates Z: 119 60.160 2.217 0.608 0.564 0.958 0.585 CB 1.525 119 residues pruned to eliminate duplicates Z: 117 59.808 2.241 0.557 0.570 0.940 0.586 CB 1.582 117 residues pruned to eliminate duplicates Z: 102 49.202 2.159 0.519 0.570 0.931 0.624 CB 1.499 102 residues pruned to eliminate duplicates Z: 107 58.367 2.241 0.675 0.554 0.915 0.547 CB 1.566 107 residues pruned to eliminate duplicates Z: 85 49.068 2.238 0.552 0.541 0.929 0.607 CB 1.594 85 residues pruned to eliminate duplicates Z: 118 60.784 2.218 0.648 0.565 0.932 0.607 CB 1.550 118 residues pruned to eliminate duplicates Z: 73 45.137 2.152 0.679 0.545 0.944 0.514 CB 1.492 73 residues pruned to eliminate duplicates Z: 92 58.213 2.231 0.637 0.575 0.978 0.670 CB 1.589 92 residues pruned to eliminate duplicates Z: 142 68.873 2.229 0.642 0.596 0.943 0.582 CB 1.532 142 residues pruned to eliminate duplicates Z: 72 48.284 2.191 0.680 0.559 0.930 0.634 CB 1.581 72 residues pruned to eliminate duplicates Z: 108 60.240 2.236 0.639 0.569 0.972 0.598 CB 1.529 108 residues pruned to eliminate duplicates Z: 108 55.798 2.201 0.601 0.548 0.953 0.570 CB 1.532 108 residues pruned to eliminate duplicates Z: 76 52.724 2.209 0.700 0.535 0.973 0.640 CA 1.610 76 residues pruned to eliminate duplicates Z: 93 58.509 2.228 0.659 0.565 0.978 0.598 CB 1.584 93 residues pruned to eliminate duplicates Z: 67 47.554 2.252 0.697 0.526 0.924 0.591 CB 1.615 67 residues pruned to eliminate duplicates Z: 106 58.227 2.232 0.618 0.556 0.952 0.571 CB 1.563 106 residues pruned to eliminate duplicates Z: 66 48.589 2.268 0.615 0.530 0.969 0.585 CA 1.647 66 residues pruned to eliminate duplicates Z: 71 40.627 2.182 0.520 0.580 0.957 0.686 CB 1.416 71 residues pruned to eliminate duplicates Z: 125 58.437 2.217 0.574 0.564 0.935 0.621 CB 1.510 125 residues pruned to eliminate duplicates Z: 122 56.954 2.217 0.579 0.569 0.926 0.570 CB 1.495 122 residues pruned to eliminate duplicates Z: 120 60.507 2.232 0.605 0.594 0.958 0.588 CB 1.478 120 residues pruned to eliminate duplicates Z: 110 53.954 2.230 0.573 0.566 0.908 0.541 CB 1.522 110 residues pruned to eliminate duplicates Z: 110 60.397 2.233 0.625 0.575 0.954 0.624 CB 1.554 110 residues pruned to eliminate duplicates Z: 72 45.057 2.255 0.553 0.497 0.944 0.620 CA 1.624 72 residues pruned to eliminate duplicates Z: 59 37.230 2.132 0.591 0.505 0.931 0.569 CB 1.541 59 residues pruned to eliminate duplicates Z: 127 67.439 2.243 0.693 0.600 0.905 0.595 CB 1.589 127 residues pruned to eliminate duplicates Z: 108 52.136 2.224 0.505 0.567 0.916 0.542 CB 1.541 108 residues pruned to eliminate duplicates Z: 109 59.773 2.242 0.632 0.577 0.935 0.630 CB 1.560 109 residues pruned to eliminate duplicates Z: 44 31.693 2.173 0.479 0.632 0.953 0.674 CB 1.393 44 residues pruned to eliminate duplicates Z: 85 45.477 2.195 0.530 0.567 0.929 0.583 CB 1.491 85 residues pruned to eliminate duplicates Z: 62 44.536 2.207 0.581 0.592 0.951 0.607 CB 1.574 62 residues pruned to eliminate duplicates Z: 119 57.265 2.212 0.567 0.571 0.949 0.644 CB 1.496 119 residues pruned to eliminate duplicates Z: 126 59.452 2.209 0.567 0.584 0.944 0.624 CB 1.502 126 residues pruned to eliminate duplicates Z: 26 24.521 2.065 0.801 0.620 0.840 0.760 CB 1.401 26 residues pruned to eliminate duplicates Z: 40 24.084 2.085 0.564 0.585 0.846 0.487 CB 1.288 40 residues pruned to eliminate duplicates Z: 142 66.072 2.234 0.601 0.600 0.922 0.624 CB 1.533 142 residues pruned to eliminate duplicates Z: 93 58.040 2.240 0.646 0.579 0.957 0.609 CB 1.589 93 residues pruned to eliminate duplicates Z: 79 49.442 2.218 0.600 0.587 0.949 0.603 CB 1.530 79 residues pruned to eliminate duplicates Z: 143 72.238 2.218 0.690 0.608 0.958 0.620 CB 1.524 143 residues pruned to eliminate duplicates Z: 106 48.139 2.116 0.606 0.528 0.933 0.533 CB 1.440 106 residues pruned to eliminate duplicates Z: 88 49.175 2.193 0.678 0.556 0.908 0.690 CB 1.495 88 residues pruned to eliminate duplicates Z: 143 70.337 2.226 0.628 0.608 0.972 0.606 CB 1.512 143 residues pruned to eliminate duplicates Z: 109 58.771 2.228 0.637 0.587 0.935 0.574 CB 1.525 109 residues pruned to eliminate duplicates Z: 108 57.507 2.235 0.607 0.568 0.925 0.617 CB 1.566 108 residues pruned to eliminate duplicates Z: 17 21.927 2.178 0.485 0.803 0.938 0.688 CB 1.388 17 residues pruned to eliminate duplicates Z: 107 59.169 2.244 0.606 0.563 0.972 0.594 CB 1.545 107 residues pruned to eliminate duplicates Z: 93 59.110 2.227 0.661 0.571 0.967 0.630 CB 1.609 93 residues pruned to eliminate duplicates Z: 102 51.636 2.139 0.546 0.586 0.970 0.614 CB 1.474 102 residues pruned to eliminate duplicates Z: 142 74.817 2.251 0.707 0.614 0.957 0.631 CB 1.537 142 residues pruned to eliminate duplicates Z: 81 42.639 2.126 0.618 0.592 0.887 0.625 CB 1.430 81 residues pruned to eliminate duplicates Z: 96 50.162 2.189 0.655 0.538 0.895 0.579 CB 1.530 96 residues pruned to eliminate duplicates Z: 167 68.346 2.202 0.610 0.567 0.928 0.590 CB 1.512 167 residues pruned to eliminate duplicates Z: 90 53.650 2.185 0.618 0.578 0.966 0.685 CB 1.545 90 residues pruned to eliminate duplicates Z: 119 61.837 2.234 0.614 0.578 0.941 0.619 CB 1.557 119 residues pruned to eliminate duplicates Z: 114 53.861 2.153 0.624 0.569 0.929 0.611 CB 1.459 114 residues pruned to eliminate duplicates Z: 101 49.408 2.144 0.540 0.578 0.930 0.590 CB 1.494 101 residues pruned to eliminate duplicates Z: 127 54.499 2.166 0.596 0.552 0.897 0.651 CB 1.489 127 residues pruned to eliminate duplicates Z: 124 61.219 2.203 0.605 0.583 0.959 0.545 CB 1.502 124 residues pruned to eliminate duplicates Z: 102 49.443 2.142 0.612 0.568 0.901 0.663 CB 1.481 102 residues pruned to eliminate duplicates Z: 72 47.002 2.192 0.636 0.600 0.958 0.662 CB 1.477 72 residues pruned to eliminate duplicates Z: 32 26.615 2.194 0.507 0.670 0.903 0.581 CB 1.368 32 residues pruned to eliminate duplicates Z: 140 66.433 2.223 0.671 0.578 0.914 0.597 CB 1.541 140 residues pruned to eliminate duplicates Z: 17 14.115 2.123 0.399 0.506 0.875 0.438 CB 1.349 17 residues pruned to eliminate duplicates Z: 110 60.254 2.236 0.611 0.578 0.972 0.606 CB 1.528 110 residues pruned to eliminate duplicates Z: 128 60.853 2.199 0.604 0.597 0.929 0.638 CB 1.502 128 residues pruned to eliminate duplicates Z: 108 60.213 2.246 0.648 0.569 0.953 0.579 CB 1.543 108 residues pruned to eliminate duplicates Z: 103 45.514 2.160 0.544 0.558 0.882 0.569 CB 1.447 103 residues pruned to eliminate duplicates Z: 157 72.594 2.198 0.725 0.599 0.917 0.603 CB 1.522 157 residues pruned to eliminate duplicates Z: 58 29.144 2.036 0.625 0.579 0.842 0.561 CB 1.285 58 residues pruned to eliminate duplicates Z: 105 45.029 2.135 0.542 0.534 0.904 0.596 CB 1.435 105 residues pruned to eliminate duplicates Z: 135 65.025 2.206 0.674 0.578 0.940 0.567 CB 1.501 135 residues pruned to eliminate duplicates Z: 50 30.218 2.114 0.516 0.641 0.939 0.612 CB 1.257 50 residues pruned to eliminate duplicates Z: 36 25.512 2.054 0.654 0.598 0.943 0.686 CB 1.226 36 residues pruned to eliminate duplicates Z: 127 61.719 2.193 0.654 0.589 0.944 0.659 CB 1.473 127 residues pruned to eliminate duplicates Z: 24 19.168 1.912 0.729 0.608 0.957 0.478 CB 1.141 24 residues pruned to eliminate duplicates Z: 106 51.224 2.141 0.624 0.558 0.952 0.648 CB 1.427 106 residues pruned to eliminate duplicates Z: 21 20.743 1.995 0.725 0.637 1.000 0.700 CB 1.185 21 residues pruned to eliminate duplicates Z: 22 15.996 1.981 0.377 0.655 1.000 0.524 CB 1.109 22 residues pruned to eliminate duplicates Z: 23 16.224 1.977 0.618 0.633 0.909 0.636 CB 1.050 23 residues pruned to eliminate duplicates Z: 103 52.277 2.136 0.654 0.563 0.971 0.588 CB 1.419 103 residues pruned to eliminate duplicates Z: 28 14.211 1.865 0.523 0.555 0.926 0.593 CB 0.985 28 residues pruned to eliminate duplicates Z: 23 13.740 1.931 0.638 0.601 0.909 0.545 CB 0.926 23 residues pruned to eliminate duplicates Z: 24 16.801 1.961 0.571 0.612 0.870 0.565 CB 1.177 24 residues pruned to eliminate duplicates Z: 100 52.409 2.155 0.622 0.560 0.980 0.576 CB 1.452 100 residues pruned to eliminate duplicates 762 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 8 D: 23 E: 8 F: 11 G: 8 H: 12 I: 59 J: 8 K: 30 L: 18 M: 19 N: 17 O: 18 P: 254 Q: 238 R: 17 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 30.27 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.415, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.502, Connect. = 0.758 for dens.mod. cycle 2 = 0.300, Contrast = 0.563, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.570, Connect. = 0.780 for dens.mod. cycle 4 = 0.300, Contrast = 0.577, Connect. = 0.783 for dens.mod. cycle 5 = 0.300, Contrast = 0.579, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.582, Connect. = 0.785 for dens.mod. cycle 7 = 0.300, Contrast = 0.585, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.587, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.589, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6027 peaks > 0.5 sigma used to seed fragment search Space for about 1111 unique residues taking solvent into account 1092 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 10 13.011 2.066 0.906 0.666 0.778 0.667 CB 1.215 B: 9 21.539 2.263 0.577 0.889 1.000 0.625 CA 1.536 C: 24 16.607 1.973 0.537 0.519 0.870 0.652 CB 1.288 10 residues pruned to eliminate duplicates D: 9 21.747 2.229 0.564 0.891 1.000 1.000 CA 1.586 9 residues pruned to eliminate duplicates E: 22 20.086 2.035 0.455 0.675 0.857 0.476 CB 1.469 F: 12 15.355 2.196 0.486 0.773 0.909 0.455 CB 1.226 G: 20 32.377 2.123 0.602 0.887 1.000 0.579 CB 1.574 H: 9 13.372 2.146 0.899 0.656 0.750 0.750 CB 1.338 I: 13 19.349 2.330 0.289 0.838 0.917 0.750 CB 1.517 J: 12 16.567 2.025 0.635 0.613 0.909 0.545 CB 1.491 K: 8 7.341 2.197 -0.080 0.846 0.857 0.714 CB 1.190 9 residues pruned to eliminate duplicates L: 15 15.317 1.980 0.480 0.871 1.000 0.786 CB 1.019 13 residues pruned to eliminate duplicates M: 11 22.734 2.325 0.558 0.880 1.000 0.600 CB 1.438 12 residues pruned to eliminate duplicates N: 15 24.827 2.173 0.503 0.886 1.000 0.714 CA 1.466 O: 9 20.098 1.992 0.979 0.832 1.000 0.750 CA 1.353 P: 19 32.459 2.242 0.549 0.907 1.000 0.722 CB 1.566 Q: 20 30.532 2.223 0.452 0.907 0.947 0.684 CB 1.628 19 residues pruned to eliminate duplicates R: 8 16.304 2.087 0.497 0.887 1.000 1.000 CB 1.422 S: 42 32.476 2.147 0.561 0.560 0.976 0.659 CB 1.463 15 residues pruned to eliminate duplicates T: 12 17.800 2.301 0.403 0.882 1.000 0.909 CB 1.203 12 residues pruned to eliminate duplicates U: 20 32.034 2.195 0.558 0.909 0.947 0.684 CB 1.610 21 residues pruned to eliminate duplicates V: 16 24.685 2.143 0.430 0.846 0.933 0.667 CA 1.655 16 residues pruned to eliminate duplicates W: 9 20.503 2.012 0.709 0.918 1.000 0.750 CB 1.486 8 residues pruned to eliminate duplicates X: 19 22.683 2.043 0.444 0.913 0.944 0.889 CA 1.358 Y: 9 17.994 2.050 0.519 0.879 1.000 0.875 CB 1.481 9 residues pruned to eliminate duplicates Z: 11 17.270 2.123 0.626 0.698 0.900 0.600 CB 1.466 Z: 17 16.506 2.034 0.222 0.878 0.875 0.812 CA 1.377 Z: 21 37.934 2.159 0.779 0.900 0.950 0.650 CA 1.660 20 residues pruned to eliminate duplicates Z: 9 16.678 2.129 0.572 0.838 0.875 0.750 CA 1.505 8 residues pruned to eliminate duplicates Z: 11 16.513 2.110 0.582 0.702 0.900 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 103 47.180 2.155 0.535 0.532 0.922 0.520 CB 1.484 Z: 18 22.687 1.893 0.497 0.929 1.000 1.000 CB 1.359 Z: 8 19.855 2.163 0.849 0.868 0.857 0.857 CB 1.600 10 residues pruned to eliminate duplicates Z: 24 18.229 1.947 0.605 0.567 0.957 0.609 CB 1.192 9 residues pruned to eliminate duplicates Z: 13 23.995 2.263 0.587 0.830 0.917 0.500 CA 1.582 13 residues pruned to eliminate duplicates Z: 18 34.669 2.190 0.769 0.892 0.941 0.529 CB 1.657 19 residues pruned to eliminate duplicates Z: 109 57.281 2.214 0.618 0.566 0.935 0.546 CB 1.543 21 residues pruned to eliminate duplicates Z: 6 9.822 2.056 0.509 0.688 1.000 0.400 CA 1.192 Z: 9 13.863 2.038 0.173 0.866 1.000 0.750 CB 1.501 9 residues pruned to eliminate duplicates Z: 7 15.644 2.224 0.313 0.893 1.000 1.000 CA 1.570 7 residues pruned to eliminate duplicates Z: 9 23.986 2.137 0.803 0.836 1.000 0.625 CA 1.648 9 residues pruned to eliminate duplicates Z: 8 17.752 2.230 0.458 0.875 1.000 1.000 CA 1.501 8 residues pruned to eliminate duplicates Z: 20 24.655 2.292 0.540 0.652 1.000 0.737 CA 1.391 20 residues pruned to eliminate duplicates Z: 32 28.727 2.183 0.517 0.699 0.935 0.613 CB 1.389 32 residues pruned to eliminate duplicates Z: 15 20.906 2.255 0.233 0.929 0.929 0.857 CB 1.515 15 residues pruned to eliminate duplicates Z: 112 56.048 2.219 0.577 0.565 0.928 0.541 CB 1.538 120 residues pruned to eliminate duplicates Z: 13 14.525 2.177 0.319 0.828 0.833 0.583 CB 1.320 13 residues pruned to eliminate duplicates Z: 12 12.170 1.942 0.576 0.528 0.818 0.636 CA 1.426 11 residues pruned to eliminate duplicates Z: 17 16.554 1.864 0.379 0.868 1.000 0.625 CB 1.177 Z: 13 14.392 2.196 0.282 0.850 0.833 0.583 CB 1.311 13 residues pruned to eliminate duplicates Z: 9 25.023 2.208 0.758 0.893 1.000 0.875 CB 1.637 9 residues pruned to eliminate duplicates Z: 14 22.169 2.090 0.678 0.889 0.923 0.923 CA 1.368 Z: 18 24.021 1.949 0.575 0.918 1.000 0.824 CB 1.339 Z: 119 56.816 2.235 0.508 0.577 0.932 0.593 CB 1.546 111 residues pruned to eliminate duplicates Z: 20 28.560 2.065 0.506 0.935 1.000 0.789 CB 1.468 19 residues pruned to eliminate duplicates Z: 19 35.053 2.266 0.640 0.934 0.944 0.444 CB 1.641 19 residues pruned to eliminate duplicates Z: 21 22.637 2.281 0.555 0.625 0.900 0.450 CA 1.409 21 residues pruned to eliminate duplicates Z: 13 15.510 1.927 0.695 0.570 0.917 0.583 CB 1.397 13 residues pruned to eliminate duplicates Z: 12 14.968 2.130 0.955 0.465 0.818 0.636 CB 1.372 Z: 16 25.687 2.159 0.714 0.924 0.933 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 20 28.761 2.156 0.486 0.929 0.895 0.737 CB 1.611 20 residues pruned to eliminate duplicates Z: 23 18.457 1.935 0.727 0.584 0.909 0.636 CB 1.195 24 residues pruned to eliminate duplicates Z: 25 22.434 1.998 0.624 0.646 0.875 0.500 CA 1.408 22 residues pruned to eliminate duplicates Z: 20 26.055 2.120 0.356 0.927 0.947 0.737 CB 1.538 20 residues pruned to eliminate duplicates Z: 11 10.337 2.019 0.641 0.564 0.800 0.600 CB 1.159 11 residues pruned to eliminate duplicates Z: 22 16.122 1.953 0.616 0.528 0.857 0.667 CB 1.265 22 residues pruned to eliminate duplicates Z: 11 12.745 1.969 0.346 0.833 0.900 0.600 CB 1.267 Z: 18 32.298 2.272 0.670 0.931 0.941 0.765 CB 1.533 18 residues pruned to eliminate duplicates Z: 127 58.954 2.192 0.547 0.590 0.944 0.643 CB 1.504 113 residues pruned to eliminate duplicates Z: 9 16.569 1.994 0.531 0.861 1.000 0.875 CB 1.410 9 residues pruned to eliminate duplicates Z: 7 6.400 1.699 0.340 0.681 1.000 0.500 CA 0.972 7 residues pruned to eliminate duplicates Z: 15 20.593 2.149 0.509 0.889 0.929 0.786 CA 1.316 15 residues pruned to eliminate duplicates Z: 7 8.008 2.168 -0.003 0.672 1.000 0.500 CB 1.290 Z: 22 18.243 1.999 0.615 0.532 0.905 0.571 CB 1.320 24 residues pruned to eliminate duplicates Z: 18 15.780 1.807 0.319 0.891 1.000 0.647 CB 1.155 17 residues pruned to eliminate duplicates Z: 20 27.251 2.029 0.508 0.896 1.000 0.789 CA 1.463 15 residues pruned to eliminate duplicates Z: 18 26.388 2.122 0.495 0.897 0.941 0.647 CA 1.535 18 residues pruned to eliminate duplicates Z: 19 34.380 2.205 0.688 0.931 0.944 0.667 CB 1.611 19 residues pruned to eliminate duplicates Z: 98 52.080 2.164 0.553 0.642 0.918 0.608 CB 1.501 74 residues pruned to eliminate duplicates Z: 105 48.932 2.125 0.575 0.538 0.913 0.596 CB 1.513 105 residues pruned to eliminate duplicates Z: 9 13.954 1.951 0.519 0.746 0.875 0.625 CA 1.526 9 residues pruned to eliminate duplicates Z: 11 19.626 2.328 0.584 0.832 1.000 0.600 CB 1.263 11 residues pruned to eliminate duplicates Z: 19 25.451 2.059 0.504 0.891 0.944 0.833 CA 1.475 19 residues pruned to eliminate duplicates Z: 16 19.580 2.148 0.542 0.900 0.867 0.867 CB 1.258 16 residues pruned to eliminate duplicates Z: 15 14.727 1.868 0.793 0.497 0.857 0.500 CB 1.375 15 residues pruned to eliminate duplicates Z: 6 9.762 1.886 0.142 0.753 1.000 0.800 N 1.617 Z: 136 61.138 2.199 0.559 0.584 0.941 0.667 CB 1.505 135 residues pruned to eliminate duplicates Z: 10 10.117 2.027 0.741 0.590 0.778 0.556 CB 1.127 10 residues pruned to eliminate duplicates Z: 8 13.608 2.072 0.533 0.855 1.000 1.000 CB 1.195 8 residues pruned to eliminate duplicates Z: 14 24.651 2.125 0.581 0.882 1.000 0.846 CA 1.473 14 residues pruned to eliminate duplicates Z: 7 5.801 2.232 -0.067 0.757 0.833 0.667 CB 1.086 7 residues pruned to eliminate duplicates Z: 18 21.198 2.048 0.396 0.874 0.941 0.765 CA 1.390 18 residues pruned to eliminate duplicates Z: 21 14.159 1.910 0.462 0.508 0.850 0.600 CB 1.323 21 residues pruned to eliminate duplicates Z: 19 22.746 1.814 0.661 0.914 1.000 0.833 CB 1.259 19 residues pruned to eliminate duplicates Z: 7 10.239 2.079 0.100 0.808 1.000 0.667 CB 1.398 7 residues pruned to eliminate duplicates Z: 18 32.633 2.145 0.705 0.922 1.000 0.706 CA 1.522 19 residues pruned to eliminate duplicates Z: 36 18.499 1.863 0.677 0.508 0.943 0.686 CB 1.053 Z: 7 14.577 1.978 0.535 0.854 1.000 1.000 CA 1.448 7 residues pruned to eliminate duplicates Z: 8 13.483 2.138 0.151 0.891 1.000 1.000 CB 1.489 8 residues pruned to eliminate duplicates Z: 46 35.512 2.118 0.608 0.594 0.978 0.578 CB 1.453 41 residues pruned to eliminate duplicates Z: 15 13.837 1.766 0.526 0.754 0.857 0.786 CB 1.277 15 residues pruned to eliminate duplicates Z: 13 29.011 2.278 0.665 0.888 1.000 0.833 CA 1.590 13 residues pruned to eliminate duplicates Z: 21 26.210 2.077 0.352 0.893 0.950 0.750 CA 1.577 21 residues pruned to eliminate duplicates Z: 18 19.387 1.843 0.449 0.873 1.000 0.824 CB 1.283 18 residues pruned to eliminate duplicates Z: 57 42.931 2.273 0.565 0.551 0.964 0.607 CA 1.591 57 residues pruned to eliminate duplicates Z: 13 9.628 1.867 0.106 0.726 0.917 0.667 CB 1.197 13 residues pruned to eliminate duplicates Z: 33 29.398 2.094 0.725 0.663 0.844 0.406 CB 1.465 22 residues pruned to eliminate duplicates Z: 14 20.250 2.106 0.318 0.870 1.000 0.846 CA 1.477 14 residues pruned to eliminate duplicates Z: 17 21.049 2.080 0.399 0.928 0.938 0.875 CB 1.351 17 residues pruned to eliminate duplicates Z: 18 37.233 2.110 1.137 0.944 0.941 0.412 CB 1.474 19 residues pruned to eliminate duplicates Z: 13 22.018 2.243 0.339 0.875 1.000 0.833 CA 1.539 14 residues pruned to eliminate duplicates Z: 20 28.144 1.929 0.784 0.896 0.947 0.684 CB 1.420 18 residues pruned to eliminate duplicates Z: 20 28.310 2.182 0.442 0.922 0.947 0.789 CB 1.532 20 residues pruned to eliminate duplicates Z: 53 35.695 2.037 0.616 0.678 0.904 0.500 CB 1.412 53 residues pruned to eliminate duplicates Z: 9 15.870 1.798 0.878 0.875 1.000 0.500 CA 1.208 9 residues pruned to eliminate duplicates Z: 19 10.936 1.855 0.584 0.357 0.944 0.611 CB 1.084 19 residues pruned to eliminate duplicates Z: 70 44.863 2.211 0.507 0.565 0.971 0.565 CB 1.567 70 residues pruned to eliminate duplicates Z: 132 63.581 2.167 0.666 0.601 0.916 0.580 CB 1.526 131 residues pruned to eliminate duplicates Z: 57 34.748 2.015 0.640 0.695 0.821 0.518 CB 1.431 55 residues pruned to eliminate duplicates Z: 13 20.260 2.224 0.596 0.802 0.750 0.333 CA 1.687 13 residues pruned to eliminate duplicates Z: 19 29.973 2.108 0.788 0.924 0.944 0.611 CB 1.394 19 residues pruned to eliminate duplicates Z: 20 34.560 2.150 0.881 0.909 0.895 0.421 CA 1.555 20 residues pruned to eliminate duplicates Z: 10 11.958 1.929 0.623 0.793 0.778 0.667 CB 1.266 10 residues pruned to eliminate duplicates Z: 20 40.129 2.197 0.808 0.909 1.000 0.526 CB 1.645 30 residues pruned to eliminate duplicates Z: 9 8.206 1.865 0.347 0.760 0.750 0.500 CA 1.222 9 residues pruned to eliminate duplicates Z: 18 35.768 2.107 0.934 0.924 1.000 0.294 CB 1.495 18 residues pruned to eliminate duplicates Z: 60 41.626 2.136 0.657 0.591 0.949 0.712 CB 1.479 45 residues pruned to eliminate duplicates Z: 8 12.532 2.129 0.234 0.848 1.000 0.714 CB 1.337 8 residues pruned to eliminate duplicates Z: 10 14.963 1.936 0.651 0.858 0.889 0.778 CB 1.293 Z: 14 18.289 2.044 0.364 0.915 1.000 0.923 CB 1.285 14 residues pruned to eliminate duplicates Z: 13 25.591 2.263 0.488 0.890 1.000 0.917 CA 1.578 13 residues pruned to eliminate duplicates Z: 16 19.925 2.130 0.506 0.899 0.933 0.733 CB 1.228 16 residues pruned to eliminate duplicates Z: 17 22.256 2.058 0.332 0.897 1.000 0.875 CB 1.452 17 residues pruned to eliminate duplicates Z: 19 28.831 2.120 0.386 0.919 1.000 0.889 CB 1.630 19 residues pruned to eliminate duplicates Z: 7 6.403 1.829 -0.012 0.822 1.000 0.833 CB 1.094 Z: 9 11.859 1.822 0.358 0.856 1.000 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 20 27.381 1.985 0.607 0.904 1.000 0.895 CA 1.403 20 residues pruned to eliminate duplicates Z: 19 34.357 2.228 0.688 0.916 0.944 0.556 CB 1.610 19 residues pruned to eliminate duplicates Z: 13 26.069 2.233 0.629 0.876 1.000 0.583 CA 1.504 13 residues pruned to eliminate duplicates Z: 20 27.566 2.038 0.845 0.908 0.947 0.526 CB 1.261 20 residues pruned to eliminate duplicates Z: 18 21.734 1.925 0.473 0.902 1.000 0.765 CB 1.326 18 residues pruned to eliminate duplicates Z: 14 19.833 2.106 0.552 0.860 0.846 0.615 CA 1.462 14 residues pruned to eliminate duplicates Z: 18 20.471 1.844 0.435 0.872 1.000 0.706 CB 1.367 18 residues pruned to eliminate duplicates Z: 13 18.311 2.209 0.384 0.836 0.833 0.417 CA 1.553 13 residues pruned to eliminate duplicates Z: 23 17.109 1.899 0.424 0.656 0.909 0.636 CB 1.284 23 residues pruned to eliminate duplicates Z: 33 15.552 1.865 0.517 0.480 0.906 0.531 CB 1.094 Z: 9 13.980 2.038 0.243 0.909 1.000 1.000 CA 1.385 9 residues pruned to eliminate duplicates Z: 17 30.519 1.929 1.172 0.919 0.938 0.500 CB 1.369 18 residues pruned to eliminate duplicates Z: 10 14.061 1.720 0.687 0.874 1.000 1.000 CB 1.176 10 residues pruned to eliminate duplicates Z: 65 35.538 2.194 0.444 0.534 0.906 0.500 CA 1.496 65 residues pruned to eliminate duplicates Z: 34 30.904 2.109 0.674 0.638 0.879 0.545 CA 1.523 34 residues pruned to eliminate duplicates Z: 18 22.548 2.044 0.328 0.917 0.941 0.941 CB 1.511 18 residues pruned to eliminate duplicates Z: 13 25.414 2.237 0.581 0.862 1.000 0.833 CA 1.524 13 residues pruned to eliminate duplicates Z: 14 18.649 2.006 0.658 0.888 0.923 0.615 CB 1.213 Z: 10 19.796 1.935 0.798 0.766 1.000 0.556 CB 1.498 10 residues pruned to eliminate duplicates Z: 6 9.808 1.977 0.712 0.648 1.000 0.800 CA 1.129 6 residues pruned to eliminate duplicates Z: 12 12.812 1.839 0.357 0.855 0.909 0.636 CB 1.256 12 residues pruned to eliminate duplicates Z: 62 40.048 2.160 0.601 0.601 0.902 0.656 CB 1.494 62 residues pruned to eliminate duplicates Z: 47 34.916 2.161 0.556 0.613 0.913 0.609 CA 1.506 47 residues pruned to eliminate duplicates Z: 10 11.331 2.068 0.644 0.557 0.778 0.667 CB 1.351 Z: 31 30.252 2.122 0.706 0.689 0.867 0.600 CB 1.482 23 residues pruned to eliminate duplicates Z: 20 9.177 1.830 0.435 0.259 0.789 0.316 CA 1.338 20 residues pruned to eliminate duplicates Z: 19 34.573 2.090 0.964 0.899 1.000 0.389 CB 1.419 20 residues pruned to eliminate duplicates Z: 11 13.446 1.941 0.309 0.851 0.900 0.600 CB 1.377 11 residues pruned to eliminate duplicates Z: 15 12.031 1.859 0.675 0.427 0.857 0.714 CA 1.300 13 residues pruned to eliminate duplicates Z: 9 16.813 2.086 0.589 0.834 1.000 0.750 CA 1.343 11 residues pruned to eliminate duplicates Z: 20 21.006 2.002 0.315 0.908 0.947 0.842 CA 1.372 20 residues pruned to eliminate duplicates Z: 20 35.559 2.012 1.001 0.938 1.000 0.579 CB 1.409 18 residues pruned to eliminate duplicates Z: 15 13.751 1.936 0.732 0.533 0.786 0.571 CB 1.351 15 residues pruned to eliminate duplicates Z: 18 17.640 2.034 0.331 0.871 0.882 0.765 CB 1.307 18 residues pruned to eliminate duplicates Z: 57 39.071 2.156 0.575 0.587 0.964 0.625 CB 1.466 56 residues pruned to eliminate duplicates Z: 9 18.858 2.106 0.717 0.893 1.000 0.750 CA 1.324 9 residues pruned to eliminate duplicates Z: 29 17.033 1.848 0.386 0.600 0.857 0.357 CB 1.333 29 residues pruned to eliminate duplicates Z: 19 33.612 2.251 0.531 0.916 1.000 0.611 CB 1.624 28 residues pruned to eliminate duplicates Z: 13 29.202 2.233 0.646 0.892 1.000 0.750 CA 1.647 13 residues pruned to eliminate duplicates Z: 14 23.404 2.163 0.527 0.840 1.000 0.769 CA 1.467 14 residues pruned to eliminate duplicates Z: 17 17.814 2.018 0.476 0.827 0.938 0.812 CB 1.202 17 residues pruned to eliminate duplicates Z: 106 51.910 2.194 0.513 0.564 0.914 0.590 CB 1.569 106 residues pruned to eliminate duplicates Z: 36 29.331 2.021 0.790 0.663 0.914 0.486 CB 1.289 36 residues pruned to eliminate duplicates Z: 9 13.590 2.125 0.286 0.659 1.000 0.625 CB 1.517 9 residues pruned to eliminate duplicates Z: 16 20.487 2.001 0.496 0.902 1.000 0.733 CB 1.261 18 residues pruned to eliminate duplicates Z: 16 10.134 2.009 0.458 0.328 0.733 0.400 CB 1.471 16 residues pruned to eliminate duplicates Z: 15 18.625 1.932 0.434 0.903 1.000 0.786 CB 1.280 14 residues pruned to eliminate duplicates Z: 9 6.413 1.643 -0.030 0.673 1.000 0.500 CB 1.213 Z: 9 10.033 1.796 0.382 0.866 0.875 0.500 CB 1.195 9 residues pruned to eliminate duplicates Z: 20 17.228 2.089 0.548 0.472 0.895 0.632 CB 1.405 20 residues pruned to eliminate duplicates Z: 33 32.095 2.225 0.594 0.584 0.969 0.531 CA 1.525 33 residues pruned to eliminate duplicates Z: 81 45.990 2.124 0.590 0.668 0.913 0.500 CB 1.429 80 residues pruned to eliminate duplicates Z: 13 9.928 1.982 0.228 0.823 0.833 0.750 CB 1.067 Z: 19 29.057 2.076 0.566 0.930 1.000 0.889 CA 1.474 19 residues pruned to eliminate duplicates Z: 11 8.792 1.843 0.822 0.449 0.700 0.600 CB 1.246 Z: 55 37.724 2.179 0.597 0.514 0.926 0.463 CA 1.571 55 residues pruned to eliminate duplicates Z: 19 33.400 2.115 0.729 0.941 1.000 0.611 CB 1.494 20 residues pruned to eliminate duplicates Z: 10 18.598 2.011 0.883 0.819 0.889 0.556 CA 1.397 10 residues pruned to eliminate duplicates Z: 6 12.359 1.981 0.518 0.818 1.000 0.400 CA 1.395 6 residues pruned to eliminate duplicates Z: 19 22.602 1.845 0.618 0.922 1.000 0.944 CB 1.255 18 residues pruned to eliminate duplicates Z: 16 10.458 1.742 0.024 0.638 0.867 0.667 CB 1.536 16 residues pruned to eliminate duplicates Z: 18 12.972 1.998 0.371 0.521 0.941 0.706 CB 1.196 18 residues pruned to eliminate duplicates Z: 19 33.891 2.102 0.886 0.917 0.944 0.444 CA 1.506 19 residues pruned to eliminate duplicates Z: 15 9.074 1.865 0.358 0.720 0.857 0.500 CB 0.916 14 residues pruned to eliminate duplicates Z: 12 21.411 1.929 0.630 0.927 1.000 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 7 11.648 2.049 0.163 0.886 1.000 0.833 CB 1.440 7 residues pruned to eliminate duplicates Z: 17 32.240 2.097 0.795 0.921 1.000 0.688 CB 1.507 17 residues pruned to eliminate duplicates Z: 9 11.264 1.904 0.641 0.827 0.750 0.625 CA 1.281 9 residues pruned to eliminate duplicates Z: 12 22.014 1.945 0.916 0.919 1.000 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 20 31.372 2.066 0.874 0.902 1.000 0.684 CB 1.326 20 residues pruned to eliminate duplicates Z: 19 24.755 2.038 0.583 0.897 0.889 0.889 CA 1.456 19 residues pruned to eliminate duplicates Z: 34 17.148 1.872 0.573 0.437 0.939 0.606 CB 1.151 34 residues pruned to eliminate duplicates Z: 24 22.510 1.944 0.588 0.679 0.870 0.609 CB 1.482 24 residues pruned to eliminate duplicates Z: 7 9.264 1.812 0.182 0.763 1.000 1.000 CA 1.398 Z: 17 23.671 2.064 0.766 0.907 0.875 0.562 CB 1.319 17 residues pruned to eliminate duplicates Z: 22 17.861 1.969 0.468 0.643 0.905 0.524 CB 1.305 22 residues pruned to eliminate duplicates Z: 73 40.900 2.219 0.534 0.532 0.889 0.597 CB 1.545 73 residues pruned to eliminate duplicates Z: 39 29.326 2.111 0.644 0.599 0.974 0.658 CB 1.281 35 residues pruned to eliminate duplicates Z: 8 19.379 2.241 0.886 0.850 0.857 0.714 CA 1.497 8 residues pruned to eliminate duplicates Z: 12 14.350 2.137 0.277 0.857 0.909 0.545 CB 1.285 12 residues pruned to eliminate duplicates Z: 22 25.416 2.070 0.599 0.703 0.905 0.619 CA 1.540 22 residues pruned to eliminate duplicates Z: 22 20.263 2.125 0.661 0.721 0.810 0.667 CB 1.267 14 residues pruned to eliminate duplicates Z: 12 13.576 1.734 0.500 0.842 0.909 0.545 CB 1.289 12 residues pruned to eliminate duplicates Z: 20 28.203 2.127 0.421 0.913 0.947 0.737 CB 1.600 20 residues pruned to eliminate duplicates Z: 18 15.175 2.115 0.419 0.505 0.882 0.588 CB 1.382 17 residues pruned to eliminate duplicates Z: 24 18.454 1.985 0.474 0.630 0.870 0.652 CB 1.338 24 residues pruned to eliminate duplicates Z: 21 31.138 2.142 0.722 0.910 0.950 0.500 CB 1.410 21 residues pruned to eliminate duplicates Z: 6 6.193 1.918 -0.262 0.746 1.000 0.600 CB 1.572 Z: 62 36.244 2.078 0.537 0.624 0.934 0.607 CB 1.384 62 residues pruned to eliminate duplicates Z: 6 3.249 1.758 0.164 0.693 0.800 0.800 CB 0.744 Z: 8 12.401 1.668 0.872 0.911 1.000 0.857 CA 1.064 8 residues pruned to eliminate duplicates Z: 168 68.596 2.174 0.565 0.614 0.922 0.581 CB 1.519 168 residues pruned to eliminate duplicates Z: 13 25.843 2.264 0.520 0.889 1.000 0.750 CA 1.560 13 residues pruned to eliminate duplicates Z: 18 24.394 2.069 0.331 0.936 1.000 0.941 CA 1.496 18 residues pruned to eliminate duplicates Z: 12 8.828 1.758 0.231 0.750 0.727 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 110 57.524 2.216 0.609 0.578 0.945 0.624 CB 1.518 110 residues pruned to eliminate duplicates Z: 9 12.366 2.074 0.857 0.563 0.750 0.750 CA 1.423 9 residues pruned to eliminate duplicates Z: 13 18.374 2.120 0.454 0.829 0.917 0.750 CA 1.412 13 residues pruned to eliminate duplicates Z: 27 22.584 2.172 0.548 0.542 0.885 0.538 CB 1.430 27 residues pruned to eliminate duplicates Z: 163 69.929 2.172 0.614 0.605 0.951 0.519 CB 1.492 163 residues pruned to eliminate duplicates Z: 109 59.299 2.232 0.593 0.578 0.963 0.657 CB 1.546 109 residues pruned to eliminate duplicates Z: 6 7.175 1.817 0.239 0.730 1.000 0.800 CA 1.159 6 residues pruned to eliminate duplicates Z: 17 13.406 1.865 0.169 0.891 1.000 0.750 CB 1.105 17 residues pruned to eliminate duplicates Z: 10 8.328 1.712 0.564 0.829 0.778 0.444 CA 1.003 10 residues pruned to eliminate duplicates Z: 21 18.711 2.016 0.562 0.567 0.900 0.700 CB 1.384 22 residues pruned to eliminate duplicates Z: 14 17.780 2.081 0.393 0.858 0.923 0.692 CA 1.358 14 residues pruned to eliminate duplicates Z: 9 13.600 1.918 0.694 0.860 1.000 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 23 18.587 2.045 0.484 0.670 0.818 0.636 CB 1.364 23 residues pruned to eliminate duplicates Z: 16 22.920 2.173 0.646 0.891 0.933 0.400 CB 1.274 16 residues pruned to eliminate duplicates Z: 19 23.593 1.857 0.663 0.925 1.000 0.889 CB 1.264 19 residues pruned to eliminate duplicates Z: 28 19.347 1.887 0.504 0.643 0.889 0.444 CB 1.292 28 residues pruned to eliminate duplicates Z: 107 56.937 2.222 0.610 0.570 0.915 0.585 CB 1.578 107 residues pruned to eliminate duplicates Z: 13 12.848 1.891 0.553 0.575 1.000 0.667 CB 1.175 12 residues pruned to eliminate duplicates Z: 6 8.229 2.186 0.070 0.740 1.000 0.600 CB 1.268 6 residues pruned to eliminate duplicates Z: 14 17.562 2.054 0.482 0.821 0.846 0.615 CB 1.431 14 residues pruned to eliminate duplicates Z: 152 62.958 2.175 0.562 0.576 0.934 0.609 CB 1.501 155 residues pruned to eliminate duplicates Z: 76 37.853 2.084 0.554 0.524 0.920 0.613 CB 1.432 91 residues pruned to eliminate duplicates Z: 9 8.741 1.840 0.920 0.535 0.750 0.750 CA 1.127 8 residues pruned to eliminate duplicates Z: 13 22.089 2.184 0.402 0.893 1.000 0.833 CA 1.496 13 residues pruned to eliminate duplicates Z: 17 21.652 2.106 0.638 0.892 0.875 0.625 CB 1.288 17 residues pruned to eliminate duplicates Z: 10 7.469 1.769 0.322 0.822 0.778 0.556 CA 1.035 10 residues pruned to eliminate duplicates Z: 12 13.876 2.086 0.392 0.794 1.000 0.545 CB 1.114 Z: 18 17.806 1.991 0.384 0.847 0.882 0.647 CB 1.319 18 residues pruned to eliminate duplicates Z: 20 25.603 2.037 0.384 0.938 1.000 1.000 CA 1.449 20 residues pruned to eliminate duplicates Z: 7 17.378 2.069 0.806 0.831 1.000 1.000 CB 1.426 7 residues pruned to eliminate duplicates Z: 6 3.036 1.869 -0.011 0.388 0.600 0.400 CA 1.378 6 residues pruned to eliminate duplicates Z: 49 33.869 2.140 0.492 0.610 0.938 0.646 CB 1.472 49 residues pruned to eliminate duplicates Z: 7 7.791 2.083 0.464 0.878 0.833 0.833 CA 0.909 7 residues pruned to eliminate duplicates Z: 10 9.238 1.912 0.633 0.455 0.889 0.556 CA 1.163 10 residues pruned to eliminate duplicates Z: 20 32.403 2.117 0.566 0.903 0.947 0.632 CB 1.686 20 residues pruned to eliminate duplicates Z: 8 10.800 2.029 0.082 0.812 1.000 0.714 CA 1.417 8 residues pruned to eliminate duplicates Z: 8 11.731 1.900 0.547 0.787 1.000 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 10 19.374 2.024 0.746 0.902 1.000 0.889 CB 1.303 11 residues pruned to eliminate duplicates Z: 9 7.635 1.968 0.507 0.423 0.875 0.625 CB 1.127 10 residues pruned to eliminate duplicates Z: 55 32.660 2.125 0.538 0.581 0.889 0.556 CB 1.415 55 residues pruned to eliminate duplicates Z: 22 22.543 1.870 0.472 0.919 0.952 0.857 CB 1.323 21 residues pruned to eliminate duplicates Z: 57 35.229 2.134 0.507 0.538 0.946 0.696 CB 1.490 57 residues pruned to eliminate duplicates Z: 12 13.790 1.847 0.371 0.841 0.909 0.636 CB 1.348 12 residues pruned to eliminate duplicates Z: 9 22.079 2.036 1.148 0.845 1.000 0.750 CA 1.328 9 residues pruned to eliminate duplicates Z: 7 7.706 1.815 0.251 0.763 0.833 0.667 CB 1.317 6 residues pruned to eliminate duplicates Z: 110 54.039 2.218 0.538 0.568 0.927 0.615 CB 1.534 110 residues pruned to eliminate duplicates Z: 8 13.081 2.029 0.535 0.877 0.857 0.714 CA 1.344 8 residues pruned to eliminate duplicates Z: 10 10.910 2.124 0.433 0.810 0.889 0.778 CB 1.026 10 residues pruned to eliminate duplicates Z: 23 16.518 2.022 0.408 0.675 0.818 0.545 CB 1.287 23 residues pruned to eliminate duplicates Z: 19 23.365 2.171 0.304 0.934 0.889 0.833 CB 1.527 19 residues pruned to eliminate duplicates Z: 10 8.151 1.968 0.730 0.561 0.778 0.667 CB 0.967 10 residues pruned to eliminate duplicates Z: 6 6.923 1.679 0.299 0.800 1.000 0.600 N 1.092 6 residues pruned to eliminate duplicates Z: 28 13.711 1.832 0.617 0.486 0.926 0.630 CB 0.975 26 residues pruned to eliminate duplicates Z: 25 17.251 1.981 0.650 0.554 0.875 0.583 CB 1.168 23 residues pruned to eliminate duplicates Z: 8 24.584 2.296 0.788 0.825 1.000 0.857 CA 1.708 10 residues pruned to eliminate duplicates Z: 16 17.270 1.898 0.449 0.904 1.000 0.733 CB 1.155 16 residues pruned to eliminate duplicates Z: 17 20.418 2.103 0.525 0.866 0.875 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 12 10.317 1.905 0.515 0.826 0.909 0.636 CB 0.894 11 residues pruned to eliminate duplicates Z: 13 20.887 2.244 0.399 0.846 1.000 0.833 CA 1.427 13 residues pruned to eliminate duplicates Z: 19 14.900 1.997 0.393 0.483 0.944 0.444 CB 1.360 19 residues pruned to eliminate duplicates Z: 37 32.558 2.114 0.742 0.658 0.944 0.722 CB 1.348 37 residues pruned to eliminate duplicates Z: 6 5.549 1.816 -0.037 0.685 0.800 0.600 CA 1.498 6 residues pruned to eliminate duplicates Z: 46 35.776 2.231 0.645 0.513 0.933 0.511 CB 1.537 46 residues pruned to eliminate duplicates Z: 20 33.797 2.189 0.489 0.931 1.000 0.789 CB 1.662 20 residues pruned to eliminate duplicates Z: 7 9.144 2.047 0.071 0.796 0.833 0.667 CA 1.578 7 residues pruned to eliminate duplicates Z: 21 15.067 1.967 0.693 0.529 0.750 0.700 CB 1.311 21 residues pruned to eliminate duplicates Z: 19 14.578 1.845 0.328 0.816 0.889 0.667 CA 1.199 19 residues pruned to eliminate duplicates Z: 46 28.242 2.098 0.585 0.583 0.867 0.600 CB 1.348 46 residues pruned to eliminate duplicates Z: 19 30.395 2.070 0.830 0.951 0.889 0.556 CB 1.466 19 residues pruned to eliminate duplicates Z: 8 8.268 1.708 0.328 0.694 0.857 0.714 CA 1.346 8 residues pruned to eliminate duplicates Z: 8 9.524 1.812 0.711 0.769 0.857 0.429 CB 1.068 8 residues pruned to eliminate duplicates Z: 21 11.902 1.866 0.617 0.371 0.800 0.650 CB 1.265 18 residues pruned to eliminate duplicates Z: 11 17.211 1.814 0.790 0.814 1.000 0.600 CA 1.276 11 residues pruned to eliminate duplicates Z: 6 4.001 1.729 -0.112 0.820 0.800 0.400 CB 1.103 6 residues pruned to eliminate duplicates Z: 10 7.872 1.902 0.612 0.816 0.889 0.333 CB 0.732 10 residues pruned to eliminate duplicates Z: 27 26.108 1.966 0.879 0.763 0.846 0.538 CB 1.298 27 residues pruned to eliminate duplicates Z: 48 26.393 2.072 0.588 0.551 0.872 0.574 CB 1.276 48 residues pruned to eliminate duplicates Z: 10 15.801 1.944 0.487 0.881 1.000 0.778 CA 1.320 10 residues pruned to eliminate duplicates Z: 68 47.982 2.223 0.721 0.622 0.910 0.493 CB 1.500 68 residues pruned to eliminate duplicates Z: 7 7.189 1.751 0.186 0.638 1.000 0.667 CA 1.242 7 residues pruned to eliminate duplicates Z: 7 3.835 1.536 0.553 0.500 0.667 0.500 CB 0.985 Z: 10 7.997 1.834 0.441 0.803 0.889 0.444 CB 0.871 10 residues pruned to eliminate duplicates Z: 17 18.871 2.033 0.337 0.876 0.938 0.875 CB 1.345 17 residues pruned to eliminate duplicates Z: 18 13.107 1.940 0.469 0.514 0.882 0.588 CB 1.246 18 residues pruned to eliminate duplicates Z: 93 55.186 2.233 0.564 0.582 0.957 0.609 CA 1.592 93 residues pruned to eliminate duplicates Z: 13 8.809 1.737 0.042 0.847 0.833 0.583 CB 1.251 13 residues pruned to eliminate duplicates Z: 13 17.693 1.920 0.673 0.859 1.000 0.833 CA 1.169 13 residues pruned to eliminate duplicates Z: 20 24.817 1.927 0.494 0.928 1.000 0.895 CA 1.385 20 residues pruned to eliminate duplicates Z: 8 10.075 1.750 0.305 0.748 1.000 0.571 N 1.336 8 residues pruned to eliminate duplicates Z: 14 16.407 2.072 0.370 0.867 0.923 0.538 CB 1.270 14 residues pruned to eliminate duplicates Z: 46 30.894 2.122 0.576 0.579 0.889 0.533 CB 1.436 46 residues pruned to eliminate duplicates Z: 90 56.171 2.221 0.626 0.564 0.966 0.640 CA 1.603 90 residues pruned to eliminate duplicates Z: 32 33.192 2.119 0.627 0.734 0.968 0.355 CB 1.447 32 residues pruned to eliminate duplicates Z: 17 16.198 1.872 0.315 0.885 1.000 0.812 CB 1.188 17 residues pruned to eliminate duplicates Z: 200 67.315 2.171 0.504 0.591 0.930 0.573 CB 1.441 206 residues pruned to eliminate duplicates Z: 12 12.055 2.093 0.254 0.702 1.000 0.545 CB 1.151 12 residues pruned to eliminate duplicates Z: 19 30.792 2.043 0.922 0.891 0.944 0.444 CB 1.407 19 residues pruned to eliminate duplicates Z: 18 27.887 2.230 0.318 0.911 1.000 0.824 CB 1.631 18 residues pruned to eliminate duplicates Z: 7 8.276 1.667 0.464 0.666 1.000 0.500 CA 1.188 5 residues pruned to eliminate duplicates Z: 7 7.347 1.885 0.517 0.798 0.833 0.833 CA 0.970 7 residues pruned to eliminate duplicates Z: 9 18.842 2.404 0.378 0.849 1.000 0.625 CB 1.491 9 residues pruned to eliminate duplicates Z: 29 28.928 2.007 0.698 0.764 0.893 0.643 CB 1.421 20 residues pruned to eliminate duplicates Z: 108 58.714 2.213 0.630 0.577 0.953 0.589 CB 1.532 108 residues pruned to eliminate duplicates Z: 19 24.922 1.979 0.630 0.890 0.944 0.889 CA 1.387 19 residues pruned to eliminate duplicates Z: 11 13.798 2.096 0.489 0.689 0.900 0.800 CB 1.306 11 residues pruned to eliminate duplicates Z: 182 73.173 2.167 0.599 0.625 0.939 0.580 CB 1.485 186 residues pruned to eliminate duplicates Z: 8 6.021 1.644 0.128 0.784 0.857 0.714 CB 1.116 8 residues pruned to eliminate duplicates Z: 7 5.971 2.122 0.273 0.720 0.833 0.500 CB 0.888 7 residues pruned to eliminate duplicates Z: 20 31.340 2.194 0.390 0.923 1.000 0.895 CB 1.656 20 residues pruned to eliminate duplicates Z: 9 10.855 2.159 0.377 0.802 0.875 0.625 CB 1.133 9 residues pruned to eliminate duplicates Z: 24 17.514 2.106 0.579 0.458 0.870 0.565 CA 1.319 24 residues pruned to eliminate duplicates Z: 121 50.431 2.203 0.539 0.548 0.867 0.558 CB 1.494 121 residues pruned to eliminate duplicates Z: 11 6.354 1.922 0.086 0.821 0.600 0.400 CB 1.215 11 residues pruned to eliminate duplicates Z: 20 31.936 2.156 0.648 0.933 0.895 0.842 CB 1.609 20 residues pruned to eliminate duplicates Z: 126 55.709 2.206 0.553 0.575 0.912 0.568 CB 1.483 126 residues pruned to eliminate duplicates Z: 12 17.358 1.970 0.641 0.640 1.000 0.727 CB 1.419 14 residues pruned to eliminate duplicates Z: 9 5.452 1.617 0.042 0.619 0.750 0.625 CA 1.362 9 residues pruned to eliminate duplicates Z: 8 3.291 1.731 0.564 0.301 0.571 0.286 CB 1.003 Z: 12 9.191 1.878 0.748 0.417 0.727 0.545 CB 1.266 12 residues pruned to eliminate duplicates Z: 22 19.131 2.012 0.565 0.584 0.952 0.571 CB 1.284 24 residues pruned to eliminate duplicates Z: 7 6.157 1.743 0.023 0.667 1.000 0.667 CB 1.209 8 residues pruned to eliminate duplicates Z: 9 22.350 2.048 0.757 0.883 1.000 0.875 CA 1.588 9 residues pruned to eliminate duplicates Z: 18 18.479 1.925 0.382 0.885 0.941 0.941 CB 1.292 18 residues pruned to eliminate duplicates Z: 41 35.023 2.272 0.597 0.547 0.975 0.475 CA 1.495 41 residues pruned to eliminate duplicates Z: 11 17.650 2.088 0.684 0.674 1.000 0.600 CB 1.353 11 residues pruned to eliminate duplicates Z: 9 6.912 1.813 0.331 0.493 1.000 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 7 7.027 2.034 0.167 0.585 0.833 0.667 CA 1.336 7 residues pruned to eliminate duplicates Z: 17 18.106 1.900 0.412 0.900 1.000 0.875 CB 1.205 15 residues pruned to eliminate duplicates Z: 185 65.271 2.134 0.560 0.598 0.913 0.522 CB 1.442 185 residues pruned to eliminate duplicates Z: 22 13.284 1.975 0.483 0.555 0.810 0.429 CB 1.158 21 residues pruned to eliminate duplicates Z: 15 18.580 1.989 0.331 0.897 1.000 0.857 CB 1.343 15 residues pruned to eliminate duplicates Z: 6 4.787 1.809 -0.033 0.480 1.000 0.600 CB 1.249 Z: 7 6.765 2.026 0.015 0.736 1.000 0.500 CB 1.087 7 residues pruned to eliminate duplicates Z: 22 17.410 2.109 0.558 0.677 0.810 0.619 CB 1.213 13 residues pruned to eliminate duplicates Z: 18 22.099 1.911 0.459 0.902 1.000 0.882 CB 1.371 18 residues pruned to eliminate duplicates Z: 7 9.916 2.104 0.526 0.776 1.000 0.667 CA 0.989 7 residues pruned to eliminate duplicates Z: 6 4.646 1.865 -0.191 0.542 1.000 0.600 CB 1.321 Z: 15 20.761 2.118 0.692 0.780 0.929 0.571 CB 1.303 15 residues pruned to eliminate duplicates Z: 8 5.088 1.973 0.511 0.820 0.714 0.571 CA 0.684 8 residues pruned to eliminate duplicates Z: 11 10.557 1.790 0.119 0.870 0.900 0.900 CA 1.351 11 residues pruned to eliminate duplicates Z: 21 29.877 2.047 0.618 0.920 0.900 0.450 CA 1.579 21 residues pruned to eliminate duplicates Z: 19 27.420 2.048 0.505 0.924 1.000 0.889 CA 1.473 19 residues pruned to eliminate duplicates Z: 17 15.800 1.827 0.338 0.905 1.000 0.812 CB 1.150 17 residues pruned to eliminate duplicates Z: 22 17.044 1.953 0.446 0.563 1.000 0.571 CB 1.239 22 residues pruned to eliminate duplicates Z: 20 35.650 2.187 0.755 0.900 0.947 0.474 CA 1.607 20 residues pruned to eliminate duplicates Z: 6 6.872 1.661 0.655 0.609 0.800 0.600 CB 1.259 6 residues pruned to eliminate duplicates Z: 8 7.858 1.938 0.633 0.874 0.857 0.429 CA 0.797 8 residues pruned to eliminate duplicates Z: 12 15.960 1.998 0.594 0.649 0.909 0.727 CB 1.445 12 residues pruned to eliminate duplicates Z: 22 21.967 2.027 0.716 0.652 0.905 0.524 CB 1.322 31 residues pruned to eliminate duplicates Z: 9 13.947 2.033 0.419 0.807 1.000 0.875 CB 1.308 9 residues pruned to eliminate duplicates Z: 61 44.815 2.248 0.588 0.653 0.900 0.567 CB 1.561 61 residues pruned to eliminate duplicates Z: 10 13.956 2.221 0.268 0.852 0.889 0.778 CB 1.374 10 residues pruned to eliminate duplicates Z: 15 22.290 2.136 0.474 0.889 1.000 0.786 CB 1.362 15 residues pruned to eliminate duplicates Z: 28 17.308 2.071 0.522 0.509 0.889 0.519 CB 1.177 28 residues pruned to eliminate duplicates Z: 18 16.648 1.818 0.355 0.914 1.000 0.941 CB 1.159 18 residues pruned to eliminate duplicates Z: 11 10.135 1.910 0.116 0.828 0.900 0.600 CB 1.258 11 residues pruned to eliminate duplicates Z: 93 57.722 2.220 0.650 0.619 0.946 0.598 CB 1.553 93 residues pruned to eliminate duplicates Z: 24 16.847 2.028 0.357 0.515 0.870 0.565 CB 1.446 24 residues pruned to eliminate duplicates Z: 9 4.791 1.512 0.042 0.637 0.875 0.500 CA 1.081 9 residues pruned to eliminate duplicates Z: 11 15.485 2.088 0.388 0.691 1.000 0.800 CB 1.419 11 residues pruned to eliminate duplicates Z: 11 15.553 1.862 0.850 0.809 0.900 0.600 CB 1.212 11 residues pruned to eliminate duplicates Z: 25 31.381 2.135 0.757 0.767 0.917 0.542 CB 1.470 25 residues pruned to eliminate duplicates Z: 10 15.213 1.839 0.671 0.564 1.000 0.667 CA 1.551 8 residues pruned to eliminate duplicates Z: 8 5.428 1.785 0.473 0.680 0.714 0.429 CA 0.925 8 residues pruned to eliminate duplicates Z: 21 32.767 2.168 0.675 0.923 0.900 0.350 CB 1.576 21 residues pruned to eliminate duplicates Z: 11 12.039 1.943 0.737 0.517 0.900 0.600 CB 1.232 11 residues pruned to eliminate duplicates Z: 9 8.858 1.621 0.337 0.850 1.000 0.625 CA 1.070 9 residues pruned to eliminate duplicates Z: 8 17.445 2.035 0.559 0.864 1.000 0.571 CA 1.524 8 residues pruned to eliminate duplicates Z: 12 10.594 1.898 0.597 0.319 1.000 0.727 CB 1.286 12 residues pruned to eliminate duplicates Z: 8 16.404 2.140 0.492 0.871 1.000 0.857 CB 1.416 8 residues pruned to eliminate duplicates Z: 18 18.492 1.912 0.404 0.887 0.941 0.588 CB 1.280 18 residues pruned to eliminate duplicates Z: 8 8.697 1.832 0.114 0.872 0.857 0.857 CA 1.369 8 residues pruned to eliminate duplicates Z: 22 19.436 2.096 0.445 0.705 0.952 0.571 CB 1.220 24 residues pruned to eliminate duplicates Z: 29 17.475 2.056 0.468 0.481 0.857 0.500 CB 1.301 29 residues pruned to eliminate duplicates Z: 8 6.138 1.817 0.369 0.449 0.857 0.571 CA 1.147 8 residues pruned to eliminate duplicates Z: 17 10.038 1.983 0.306 0.531 0.875 0.500 CB 1.074 17 residues pruned to eliminate duplicates Z: 15 10.354 1.881 0.557 0.431 0.857 0.500 CA 1.184 15 residues pruned to eliminate duplicates Z: 21 24.494 2.020 0.360 0.889 0.900 0.800 CB 1.595 21 residues pruned to eliminate duplicates Z: 23 14.096 1.940 0.428 0.494 0.864 0.682 CB 1.263 23 residues pruned to eliminate duplicates Z: 17 18.050 1.884 0.406 0.875 1.000 0.625 CB 1.239 17 residues pruned to eliminate duplicates Z: 16 27.252 2.162 0.825 0.924 0.933 0.800 CB 1.342 16 residues pruned to eliminate duplicates Z: 97 49.330 2.174 0.506 0.573 0.938 0.573 CB 1.528 97 residues pruned to eliminate duplicates Z: 18 22.315 1.907 0.460 0.906 1.000 0.941 CB 1.382 18 residues pruned to eliminate duplicates Z: 14 8.402 1.873 0.427 0.418 0.846 0.308 CB 1.122 14 residues pruned to eliminate duplicates Z: 18 24.226 1.930 0.534 0.917 1.000 0.824 CB 1.400 19 residues pruned to eliminate duplicates 7 1.575 1.617 -0.155 0.428 1.000 0.667 CB 0.507 ? Z: 9 6.144 2.149 0.113 0.538 0.875 0.625 CA 0.999 9 residues pruned to eliminate duplicates Z: 33 25.659 1.852 0.785 0.691 0.875 0.500 CB 1.316 33 residues pruned to eliminate duplicates Z: 14 13.183 1.913 0.362 0.820 0.923 0.538 CB 1.152 14 residues pruned to eliminate duplicates Z: 7 7.494 1.762 0.410 0.572 1.000 0.667 CB 1.148 Z: 14 15.472 2.152 0.357 0.667 1.000 0.538 CA 1.259 14 residues pruned to eliminate duplicates Z: 17 15.404 1.875 0.295 0.907 1.000 0.875 CB 1.127 16 residues pruned to eliminate duplicates Z: 85 43.508 2.218 0.507 0.519 0.881 0.488 CB 1.582 85 residues pruned to eliminate duplicates Z: 18 32.728 2.227 0.523 0.917 1.000 0.824 CB 1.652 18 residues pruned to eliminate duplicates Z: 10 8.623 1.871 0.108 0.843 0.889 0.778 CB 1.162 10 residues pruned to eliminate duplicates Z: 9 4.234 1.873 0.360 0.252 0.625 0.500 CA 1.251 9 residues pruned to eliminate duplicates Z: 15 20.860 2.227 0.359 0.902 0.929 0.857 CB 1.416 15 residues pruned to eliminate duplicates Z: 13 19.384 2.148 0.471 0.835 0.917 0.500 CB 1.447 13 residues pruned to eliminate duplicates Z: 8 22.448 2.310 0.636 0.848 1.000 0.714 CA 1.664 8 residues pruned to eliminate duplicates Z: 16 15.776 1.861 0.375 0.889 1.000 0.667 CB 1.146 16 residues pruned to eliminate duplicates Z: 19 25.319 2.148 0.402 0.893 0.889 0.611 CB 1.600 19 residues pruned to eliminate duplicates Z: 72 41.153 2.125 0.677 0.581 0.972 0.577 CB 1.305 72 residues pruned to eliminate duplicates Z: 18 17.051 1.844 0.301 0.912 1.000 0.941 CB 1.221 17 residues pruned to eliminate duplicates Z: 11 9.283 1.923 0.510 0.545 0.700 0.600 CB 1.381 11 residues pruned to eliminate duplicates Z: 18 21.853 1.840 0.675 0.907 1.000 0.529 CB 1.222 17 residues pruned to eliminate duplicates Z: 8 14.408 2.161 0.257 0.899 1.000 1.000 CB 1.433 8 residues pruned to eliminate duplicates Z: 8 11.204 1.784 0.234 0.878 1.000 0.714 CA 1.396 8 residues pruned to eliminate duplicates Z: 17 16.324 1.877 0.337 0.880 0.938 0.750 CB 1.257 17 residues pruned to eliminate duplicates Z: 19 19.565 1.783 0.450 0.915 1.000 1.000 CB 1.260 19 residues pruned to eliminate duplicates Z: 12 13.296 1.968 0.581 0.503 0.909 0.545 CB 1.413 12 residues pruned to eliminate duplicates Z: 6 9.376 2.111 0.388 0.689 1.000 0.600 CB 1.204 6 residues pruned to eliminate duplicates Z: 18 21.086 1.913 0.503 0.902 1.000 0.647 CB 1.269 18 residues pruned to eliminate duplicates Z: 6 4.820 1.894 0.108 0.545 0.800 0.400 CB 1.229 6 residues pruned to eliminate duplicates Z: 19 26.657 2.054 0.393 0.921 1.000 0.833 CB 1.546 19 residues pruned to eliminate duplicates Z: 35 23.419 2.054 0.588 0.436 0.882 0.676 CB 1.490 35 residues pruned to eliminate duplicates Z: 36 30.027 2.178 0.484 0.683 0.943 0.600 CA 1.408 36 residues pruned to eliminate duplicates Z: 18 23.054 1.911 0.642 0.912 1.000 0.647 CB 1.262 18 residues pruned to eliminate duplicates Z: 6 5.560 1.734 0.453 0.697 1.000 0.600 CB 0.825 6 residues pruned to eliminate duplicates Z: 8 7.008 1.758 0.291 0.894 1.000 1.000 CB 0.837 Z: 6 8.465 2.000 0.296 0.790 1.000 0.600 CA 1.133 6 residues pruned to eliminate duplicates Z: 124 55.877 2.154 0.539 0.610 0.894 0.455 CB 1.531 124 residues pruned to eliminate duplicates Z: 8 19.290 2.136 0.680 0.901 1.000 0.857 CB 1.450 8 residues pruned to eliminate duplicates Z: 26 13.243 1.791 0.571 0.536 0.720 0.440 CA 1.262 26 residues pruned to eliminate duplicates Z: 6 4.835 1.525 0.074 0.852 1.000 0.800 CB 0.976 Z: 19 34.805 2.204 0.785 0.904 0.889 0.444 CB 1.671 19 residues pruned to eliminate duplicates Z: 7 8.337 1.816 0.655 0.476 1.000 0.667 CB 1.160 Z: 15 17.357 2.064 0.568 0.804 0.857 0.429 CB 1.283 15 residues pruned to eliminate duplicates Z: 18 17.877 1.857 0.474 0.864 1.000 0.588 CB 1.161 18 residues pruned to eliminate duplicates Z: 9 5.390 1.657 0.039 0.555 0.750 0.500 CA 1.400 9 residues pruned to eliminate duplicates Z: 9 21.343 2.084 0.772 0.909 0.875 0.875 CB 1.658 9 residues pruned to eliminate duplicates Z: 69 43.013 2.232 0.523 0.544 0.926 0.574 CB 1.587 69 residues pruned to eliminate duplicates Z: 8 5.395 1.734 0.345 0.367 0.857 0.429 CA 1.177 8 residues pruned to eliminate duplicates Z: 13 19.946 2.129 0.446 0.870 0.917 0.500 CB 1.490 13 residues pruned to eliminate duplicates Z: 86 52.137 2.126 0.645 0.662 0.941 0.494 CB 1.478 86 residues pruned to eliminate duplicates Z: 13 15.816 2.198 0.117 0.880 1.000 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 20 33.053 2.197 0.612 0.934 0.947 0.789 CB 1.576 20 residues pruned to eliminate duplicates Z: 77 47.129 2.128 0.652 0.693 0.895 0.566 CB 1.440 71 residues pruned to eliminate duplicates Z: 22 16.045 2.003 0.506 0.565 0.857 0.667 CB 1.271 22 residues pruned to eliminate duplicates Z: 10 22.135 1.902 1.046 0.873 1.000 0.778 CA 1.381 10 residues pruned to eliminate duplicates Z: 10 6.630 1.793 0.235 0.728 0.556 0.333 CB 1.463 10 residues pruned to eliminate duplicates Z: 9 18.453 2.158 0.440 0.852 1.000 0.500 CB 1.552 9 residues pruned to eliminate duplicates Z: 16 23.652 2.171 0.549 0.897 0.933 0.733 CB 1.393 16 residues pruned to eliminate duplicates Z: 18 18.869 1.879 0.303 0.872 1.000 0.765 CB 1.362 18 residues pruned to eliminate duplicates Z: 145 69.227 2.214 0.619 0.608 0.951 0.639 CB 1.526 145 residues pruned to eliminate duplicates Z: 125 62.377 2.177 0.596 0.614 0.944 0.573 CB 1.533 125 residues pruned to eliminate duplicates Z: 17 17.221 1.886 0.394 0.901 0.938 0.875 CB 1.247 17 residues pruned to eliminate duplicates Z: 60 37.102 2.115 0.591 0.619 0.932 0.610 CB 1.376 60 residues pruned to eliminate duplicates Z: 8 13.922 2.135 0.299 0.864 1.000 1.000 CB 1.390 8 residues pruned to eliminate duplicates Z: 32 30.593 2.312 0.544 0.600 0.903 0.710 CA 1.549 32 residues pruned to eliminate duplicates Z: 34 28.980 2.090 0.741 0.661 0.848 0.606 CB 1.408 34 residues pruned to eliminate duplicates Z: 18 24.568 1.929 0.611 0.918 1.000 0.647 CB 1.352 19 residues pruned to eliminate duplicates Z: 9 10.917 1.908 0.392 0.699 0.875 0.750 CA 1.385 9 residues pruned to eliminate duplicates Z: 16 23.073 2.132 0.527 0.891 1.000 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 10 18.875 2.283 0.415 0.854 1.000 0.667 CA 1.438 10 residues pruned to eliminate duplicates Z: 11 17.575 2.143 0.669 0.644 0.900 0.700 CB 1.509 12 residues pruned to eliminate duplicates Z: 43 35.813 2.179 0.669 0.623 0.929 0.595 CB 1.456 43 residues pruned to eliminate duplicates Z: 10 21.369 2.005 0.936 0.899 1.000 1.000 CB 1.312 10 residues pruned to eliminate duplicates Z: 15 12.487 2.233 -0.011 0.714 0.857 0.714 CB 1.453 15 residues pruned to eliminate duplicates Z: 47 38.932 2.160 0.742 0.629 0.957 0.674 CB 1.412 47 residues pruned to eliminate duplicates Z: 95 54.850 2.223 0.620 0.557 0.947 0.606 CB 1.570 95 residues pruned to eliminate duplicates Z: 52 31.702 2.044 0.538 0.571 0.922 0.627 CB 1.431 52 residues pruned to eliminate duplicates Z: 13 15.677 2.074 0.479 0.714 1.000 0.500 CB 1.215 13 residues pruned to eliminate duplicates Z: 13 9.325 1.790 0.156 0.752 0.833 0.417 CB 1.247 13 residues pruned to eliminate duplicates Z: 149 67.365 2.177 0.673 0.612 0.899 0.561 CB 1.522 149 residues pruned to eliminate duplicates Z: 17 14.805 1.837 0.260 0.891 1.000 0.875 CB 1.150 17 residues pruned to eliminate duplicates Z: 103 53.905 2.224 0.476 0.580 0.951 0.618 CB 1.583 99 residues pruned to eliminate duplicates Z: 9 14.446 2.100 0.378 0.680 1.000 0.750 CA 1.496 9 residues pruned to eliminate duplicates Z: 8 10.150 1.946 0.306 0.642 1.000 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 7 10.398 2.080 0.494 0.836 0.667 0.667 CB 1.534 7 residues pruned to eliminate duplicates Z: 24 19.294 1.936 0.682 0.452 1.000 0.783 CB 1.297 24 residues pruned to eliminate duplicates Z: 101 49.357 2.190 0.498 0.554 0.930 0.560 CB 1.535 101 residues pruned to eliminate duplicates Z: 13 21.723 2.118 0.527 0.908 0.917 0.750 CA 1.502 13 residues pruned to eliminate duplicates Z: 18 11.809 1.864 0.174 0.891 0.706 0.471 CB 1.333 18 residues pruned to eliminate duplicates Z: 70 43.834 2.186 0.582 0.585 0.928 0.522 CB 1.516 71 residues pruned to eliminate duplicates Z: 14 16.235 1.972 0.422 0.889 0.923 0.692 CB 1.253 14 residues pruned to eliminate duplicates Z: 40 23.895 2.083 0.502 0.617 0.872 0.538 CB 1.255 40 residues pruned to eliminate duplicates Z: 18 23.092 1.905 0.541 0.900 1.000 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 14 12.726 1.773 0.354 0.644 1.000 0.692 CB 1.285 14 residues pruned to eliminate duplicates Z: 17 25.072 2.113 0.609 0.891 0.938 0.812 CB 1.414 17 residues pruned to eliminate duplicates Z: 18 19.794 1.856 0.633 0.899 0.941 0.647 CB 1.203 18 residues pruned to eliminate duplicates Z: 14 8.925 1.541 0.460 0.819 1.000 0.538 CB 0.834 8 residues pruned to eliminate duplicates Z: 9 11.434 1.919 0.462 0.867 0.875 0.750 CA 1.205 9 residues pruned to eliminate duplicates Z: 22 22.824 2.006 0.574 0.699 0.905 0.476 CA 1.455 22 residues pruned to eliminate duplicates Z: 119 55.876 2.214 0.617 0.556 0.915 0.559 CB 1.487 119 residues pruned to eliminate duplicates Z: 8 10.380 2.203 0.814 0.428 0.857 0.429 CB 1.234 8 residues pruned to eliminate duplicates Z: 65 43.957 2.188 0.587 0.620 0.969 0.656 CB 1.458 65 residues pruned to eliminate duplicates Z: 25 16.586 1.927 0.502 0.550 0.833 0.375 CB 1.337 25 residues pruned to eliminate duplicates Z: 20 31.710 2.129 0.696 0.916 0.947 0.737 CB 1.503 20 residues pruned to eliminate duplicates Z: 10 14.222 2.048 0.450 0.687 1.000 0.667 CA 1.345 10 residues pruned to eliminate duplicates Z: 10 11.729 2.000 0.593 0.537 0.889 0.556 CB 1.331 10 residues pruned to eliminate duplicates Z: 6 5.634 1.771 0.374 0.820 0.600 0.200 N 1.307 6 residues pruned to eliminate duplicates Z: 7 19.143 2.170 0.800 0.727 1.000 0.833 CB 1.631 7 residues pruned to eliminate duplicates Z: 8 3.382 2.119 -0.270 0.750 1.000 0.857 CB 0.660 8 residues pruned to eliminate duplicates Z: 9 6.546 1.626 0.462 0.885 1.000 0.750 CB 0.703 5 residues pruned to eliminate duplicates Z: 7 9.366 1.701 0.597 0.721 1.000 0.667 CA 1.153 7 residues pruned to eliminate duplicates Z: 23 13.525 1.802 0.611 0.332 0.909 0.636 CB 1.314 23 residues pruned to eliminate duplicates Z: 28 24.906 2.125 0.581 0.610 0.963 0.556 CA 1.336 28 residues pruned to eliminate duplicates Z: 17 13.034 1.853 0.142 0.851 0.938 0.812 CB 1.215 17 residues pruned to eliminate duplicates Z: 18 17.055 2.139 0.393 0.719 0.882 0.647 CB 1.290 18 residues pruned to eliminate duplicates Z: 7 3.275 1.589 0.288 0.541 0.833 0.500 CB 0.753 6 residues pruned to eliminate duplicates Z: 8 13.880 2.060 1.151 0.698 0.857 0.714 CB 1.153 10 residues pruned to eliminate duplicates Z: 11 10.981 1.771 0.405 0.829 0.900 0.600 CA 1.167 11 residues pruned to eliminate duplicates Z: 9 11.346 1.882 0.424 0.819 0.875 0.750 CA 1.298 9 residues pruned to eliminate duplicates Z: 19 21.118 1.843 0.536 0.919 1.000 0.944 CB 1.239 19 residues pruned to eliminate duplicates Z: 8 4.840 1.594 0.573 0.807 0.571 0.429 CA 0.977 8 residues pruned to eliminate duplicates Z: 32 19.124 1.832 0.544 0.602 0.935 0.452 CB 1.178 32 residues pruned to eliminate duplicates Z: 11 14.472 1.914 0.609 0.891 0.900 0.800 CB 1.188 12 residues pruned to eliminate duplicates Z: 8 16.953 2.037 0.675 0.883 1.000 0.857 CA 1.358 8 residues pruned to eliminate duplicates Z: 19 20.970 1.871 0.665 0.911 0.889 0.444 CB 1.265 19 residues pruned to eliminate duplicates Z: 9 18.434 1.871 1.234 0.864 1.000 0.875 CB 1.143 9 residues pruned to eliminate duplicates Z: 8 5.239 1.955 0.312 0.671 0.857 0.571 CB 0.769 8 residues pruned to eliminate duplicates Z: 35 25.961 2.208 0.376 0.575 0.912 0.529 CA 1.494 35 residues pruned to eliminate duplicates Z: 55 41.920 2.215 0.585 0.673 0.944 0.667 CB 1.467 55 residues pruned to eliminate duplicates Z: 32 30.805 2.200 0.393 0.697 0.968 0.677 CA 1.558 32 residues pruned to eliminate duplicates Z: 6 2.832 1.529 0.133 0.300 0.800 0.400 CB 1.143 Z: 25 19.540 1.958 0.514 0.654 0.875 0.417 CB 1.333 25 residues pruned to eliminate duplicates Z: 46 33.027 2.072 0.580 0.479 0.956 0.578 CA 1.606 46 residues pruned to eliminate duplicates Z: 8 10.197 1.901 0.323 0.842 1.000 0.571 CB 1.142 8 residues pruned to eliminate duplicates Z: 9 2.888 1.541 0.131 0.254 0.750 0.250 CB 1.036 4 residues pruned to eliminate duplicates Z: 27 26.368 2.194 0.512 0.586 0.923 0.654 CB 1.555 27 residues pruned to eliminate duplicates Z: 8 6.116 1.730 0.100 0.831 1.000 0.714 CB 0.913 8 residues pruned to eliminate duplicates Z: 7 5.038 1.560 0.288 0.831 0.833 0.667 CB 0.923 7 residues pruned to eliminate duplicates Z: 6 5.004 1.840 0.239 0.816 0.800 0.600 CA 0.933 6 residues pruned to eliminate duplicates Z: 18 16.798 2.042 0.384 0.541 1.000 0.706 CB 1.385 18 residues pruned to eliminate duplicates 6 1.335 1.309 0.060 0.295 1.000 0.400 C 0.541 ? Z: 18 20.240 1.830 0.409 0.914 1.000 0.941 CA 1.347 18 residues pruned to eliminate duplicates Z: 8 8.848 2.093 0.197 0.679 0.857 0.571 CA 1.322 8 residues pruned to eliminate duplicates Z: 9 7.777 1.881 0.441 0.636 0.875 0.375 CB 1.020 9 residues pruned to eliminate duplicates Z: 14 10.891 1.972 0.636 0.387 0.846 0.462 CB 1.247 14 residues pruned to eliminate duplicates Z: 10 6.152 1.862 0.381 0.714 0.667 0.444 CB 0.985 10 residues pruned to eliminate duplicates Z: 18 12.721 1.970 0.465 0.373 0.941 0.529 CB 1.301 18 residues pruned to eliminate duplicates Z: 31 14.778 1.750 0.594 0.416 0.933 0.667 CB 1.131 31 residues pruned to eliminate duplicates Z: 20 29.028 2.050 0.753 0.914 0.947 0.526 CB 1.383 20 residues pruned to eliminate duplicates Z: 17 20.796 1.925 0.553 0.932 1.000 0.812 CB 1.214 17 residues pruned to eliminate duplicates Z: 10 14.003 1.823 0.619 0.872 1.000 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 6 11.562 1.922 0.410 0.718 1.000 1.000 O 1.567 9 residues pruned to eliminate duplicates Z: 6 10.981 1.996 0.202 0.864 1.000 1.000 CA 1.501 6 residues pruned to eliminate duplicates Z: 17 18.588 2.121 0.329 0.610 0.938 0.688 CB 1.585 17 residues pruned to eliminate duplicates Z: 13 11.025 1.786 0.365 0.871 0.917 0.583 CB 1.039 13 residues pruned to eliminate duplicates Z: 9 5.208 1.533 0.061 0.753 0.750 0.250 CB 1.205 9 residues pruned to eliminate duplicates Z: 34 19.192 2.106 0.229 0.687 0.879 0.667 CB 1.238 34 residues pruned to eliminate duplicates Z: 12 19.302 2.265 0.521 0.837 0.909 0.727 CB 1.389 12 residues pruned to eliminate duplicates Z: 123 50.784 2.134 0.488 0.576 0.910 0.582 CB 1.480 127 residues pruned to eliminate duplicates Z: 11 11.778 2.059 0.175 0.837 1.000 0.500 CB 1.151 11 residues pruned to eliminate duplicates Z: 10 16.804 1.952 0.657 0.906 1.000 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 42 25.048 2.095 0.429 0.501 0.902 0.610 CB 1.446 42 residues pruned to eliminate duplicates Z: 25 28.210 2.127 0.818 0.616 0.917 0.583 CB 1.455 25 residues pruned to eliminate duplicates Z: 8 9.449 1.743 0.490 0.497 1.000 0.571 CB 1.380 8 residues pruned to eliminate duplicates Z: 18 20.630 1.846 0.597 0.895 1.000 0.824 CB 1.216 17 residues pruned to eliminate duplicates Z: 9 7.432 1.879 0.281 0.491 0.875 0.500 CB 1.259 9 residues pruned to eliminate duplicates Z: 18 24.691 1.931 0.636 0.897 1.000 0.765 CB 1.357 18 residues pruned to eliminate duplicates Z: 12 11.938 1.792 0.483 0.834 1.000 0.545 CB 1.015 12 residues pruned to eliminate duplicates Z: 9 4.634 1.638 0.091 0.669 0.875 0.875 CB 0.897 8 residues pruned to eliminate duplicates Z: 80 51.423 2.223 0.672 0.580 0.911 0.519 CB 1.581 77 residues pruned to eliminate duplicates Z: 17 17.926 1.920 0.512 0.894 0.938 0.812 CB 1.181 17 residues pruned to eliminate duplicates Z: 14 8.345 1.812 0.231 0.468 0.923 0.385 CB 1.161 14 residues pruned to eliminate duplicates Z: 7 3.639 1.484 -0.026 0.867 1.000 0.833 CB 0.751 Z: 7 5.400 1.853 0.145 0.875 1.000 0.667 CB 0.756 7 residues pruned to eliminate duplicates Z: 38 30.014 2.130 0.538 0.645 0.946 0.514 CB 1.391 38 residues pruned to eliminate duplicates Z: 30 32.211 2.049 0.802 0.751 0.931 0.552 CB 1.391 55 residues pruned to eliminate duplicates Z: 17 15.565 1.837 0.331 0.880 0.938 0.750 CB 1.230 17 residues pruned to eliminate duplicates Z: 10 16.993 1.941 0.852 0.783 1.000 0.778 CB 1.228 10 residues pruned to eliminate duplicates Z: 13 17.347 2.204 0.657 0.857 0.833 0.417 CB 1.213 13 residues pruned to eliminate duplicates Z: 7 14.794 2.151 0.855 0.772 1.000 0.667 CA 1.190 7 residues pruned to eliminate duplicates Z: 22 12.962 1.949 0.279 0.545 0.905 0.714 CB 1.201 22 residues pruned to eliminate duplicates Z: 7 4.414 1.560 -0.016 0.863 1.000 1.000 CB 0.861 7 residues pruned to eliminate duplicates Z: 16 15.390 1.955 0.669 0.730 0.933 0.333 CB 1.061 16 residues pruned to eliminate duplicates Z: 46 32.290 2.130 0.519 0.521 0.956 0.600 CB 1.525 46 residues pruned to eliminate duplicates Z: 11 8.915 1.792 0.636 0.737 0.800 0.500 CB 0.972 11 residues pruned to eliminate duplicates Z: 17 24.769 2.068 0.591 0.882 1.000 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 11 11.711 1.841 0.516 0.645 1.000 0.900 CA 1.158 Z: 8 6.112 1.505 0.263 0.911 1.000 0.714 CB 0.862 Z: 41 29.877 2.144 0.429 0.618 0.950 0.650 CB 1.452 41 residues pruned to eliminate duplicates Z: 18 19.870 1.835 0.603 0.858 1.000 0.706 CB 1.206 17 residues pruned to eliminate duplicates Z: 16 15.879 2.019 0.455 0.608 1.000 0.800 CB 1.259 16 residues pruned to eliminate duplicates Z: 32 26.957 2.189 0.479 0.597 0.935 0.645 CA 1.457 32 residues pruned to eliminate duplicates Z: 103 63.248 2.229 0.707 0.594 0.951 0.598 CB 1.582 103 residues pruned to eliminate duplicates Z: 89 46.144 2.185 0.512 0.557 0.920 0.534 CB 1.530 89 residues pruned to eliminate duplicates Z: 20 26.449 2.089 0.535 0.896 0.895 0.632 CB 1.515 20 residues pruned to eliminate duplicates Z: 10 12.356 1.847 0.634 0.826 0.889 0.333 CB 1.158 Z: 6 6.125 1.679 0.093 0.856 1.000 1.000 CB 1.100 Z: 6 3.755 1.550 -0.080 0.876 1.000 1.000 CB 0.856 6 residues pruned to eliminate duplicates Z: 18 16.361 1.831 0.249 0.905 1.000 0.941 CB 1.234 18 residues pruned to eliminate duplicates Z: 13 13.825 1.889 0.348 0.785 0.917 0.417 CB 1.331 13 residues pruned to eliminate duplicates Z: 22 19.323 1.952 0.267 0.687 1.000 0.476 CB 1.437 22 residues pruned to eliminate duplicates Z: 18 18.671 1.820 0.621 0.883 0.941 0.765 CB 1.179 18 residues pruned to eliminate duplicates Z: 14 11.150 1.769 0.495 0.579 0.923 0.538 CA 1.174 14 residues pruned to eliminate duplicates Z: 11 18.138 2.098 0.669 0.684 1.000 0.700 CB 1.384 11 residues pruned to eliminate duplicates Z: 6 3.389 1.504 0.507 0.298 1.000 0.600 CA 0.838 Z: 21 13.536 1.850 0.677 0.525 0.850 0.550 CB 1.120 28 residues pruned to eliminate duplicates Z: 23 21.736 1.983 0.555 0.736 0.909 0.545 CB 1.337 10 residues pruned to eliminate duplicates Z: 13 9.411 1.936 0.600 0.268 0.833 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 74 51.117 2.238 0.661 0.641 0.904 0.603 CB 1.560 74 residues pruned to eliminate duplicates Z: 6 5.014 1.571 0.462 0.650 0.800 0.800 CA 1.061 Z: 39 34.561 2.245 0.727 0.530 0.974 0.579 CA 1.442 25 residues pruned to eliminate duplicates Z: 8 5.587 2.017 0.158 0.805 0.857 0.429 CA 0.808 8 residues pruned to eliminate duplicates Z: 17 15.760 1.867 0.623 0.876 0.875 0.688 CB 1.080 17 residues pruned to eliminate duplicates Z: 8 7.252 1.921 0.098 0.844 1.000 0.857 CA 0.966 Z: 6 6.834 1.744 1.236 0.666 0.800 0.400 CB 0.840 Z: 120 54.485 2.202 0.531 0.561 0.924 0.571 CB 1.511 120 residues pruned to eliminate duplicates Z: 10 7.499 2.175 -0.173 0.810 0.889 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 107 54.218 2.136 0.613 0.611 0.906 0.491 CB 1.519 78 residues pruned to eliminate duplicates Z: 32 40.562 2.051 0.943 0.763 0.968 0.419 CB 1.495 51 residues pruned to eliminate duplicates Z: 18 20.867 2.003 0.595 0.901 0.824 0.588 CB 1.373 18 residues pruned to eliminate duplicates Z: 68 47.160 2.230 0.612 0.569 0.955 0.642 CA 1.569 68 residues pruned to eliminate duplicates Z: 7 5.389 1.531 0.078 0.892 1.000 1.000 CB 0.957 7 residues pruned to eliminate duplicates Z: 21 31.670 2.097 0.615 0.930 1.000 0.800 CB 1.462 21 residues pruned to eliminate duplicates Z: 21 16.361 2.032 0.270 0.702 0.850 0.700 CB 1.387 23 residues pruned to eliminate duplicates Z: 57 21.215 1.833 0.644 0.479 0.893 0.571 CB 1.076 72 residues pruned to eliminate duplicates Z: 7 7.611 1.605 0.192 0.738 1.000 0.500 CB 1.312 7 residues pruned to eliminate duplicates Z: 48 26.144 2.019 0.575 0.508 0.872 0.489 CB 1.364 48 residues pruned to eliminate duplicates Z: 19 15.497 1.930 0.344 0.664 0.944 0.611 CB 1.282 19 residues pruned to eliminate duplicates Z: 19 4.879 1.479 0.195 0.469 0.833 0.611 CB 0.805 7 residues pruned to eliminate duplicates Z: 14 12.245 1.916 0.471 0.575 0.846 0.615 CA 1.324 14 residues pruned to eliminate duplicates Z: 10 13.857 1.954 0.388 0.842 1.000 0.556 CB 1.269 10 residues pruned to eliminate duplicates Z: 7 4.815 1.511 0.427 0.477 0.833 0.500 CB 1.120 7 residues pruned to eliminate duplicates Z: 18 30.852 2.036 0.787 0.930 0.941 0.647 CB 1.528 18 residues pruned to eliminate duplicates Z: 7 6.231 1.516 0.415 0.905 1.000 0.833 CB 0.844 7 residues pruned to eliminate duplicates Z: 21 32.458 2.142 0.599 0.901 0.950 0.650 CB 1.591 21 residues pruned to eliminate duplicates Z: 6 3.549 1.748 -0.075 0.703 0.800 0.600 CB 1.020 6 residues pruned to eliminate duplicates Z: 20 25.882 2.068 0.634 0.892 0.895 0.632 CB 1.410 20 residues pruned to eliminate duplicates Z: 11 11.428 1.949 0.297 0.731 0.900 0.500 CA 1.290 11 residues pruned to eliminate duplicates Z: 9 10.399 1.888 0.424 0.854 0.875 0.625 CB 1.154 9 residues pruned to eliminate duplicates Z: 8 6.441 1.516 0.566 0.912 1.000 0.857 CB 0.726 11 residues pruned to eliminate duplicates Z: 9 7.907 1.719 0.348 0.662 1.000 0.500 CB 1.039 9 residues pruned to eliminate duplicates Z: 15 4.253 1.530 0.109 0.386 0.857 0.571 CB 0.882 9 residues pruned to eliminate duplicates Z: 24 15.415 2.028 0.609 0.558 0.870 0.391 CB 1.071 24 residues pruned to eliminate duplicates Z: 7 5.689 1.771 0.079 0.800 0.833 0.667 CA 1.122 7 residues pruned to eliminate duplicates Z: 9 9.178 2.172 0.395 0.774 0.750 0.625 CB 1.120 9 residues pruned to eliminate duplicates Z: 14 11.281 1.767 0.395 0.575 0.923 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 7 5.387 1.677 0.377 0.792 0.667 0.500 CA 1.105 7 residues pruned to eliminate duplicates Z: 31 26.651 1.982 0.765 0.669 0.867 0.600 CB 1.373 31 residues pruned to eliminate duplicates Z: 14 13.770 1.770 0.597 0.704 0.923 0.538 CA 1.216 14 residues pruned to eliminate duplicates Z: 6 2.726 1.175 0.211 0.777 1.000 0.800 CB 0.670 Z: 18 19.299 1.868 0.553 0.895 0.941 0.588 CB 1.229 18 residues pruned to eliminate duplicates Z: 9 8.248 1.616 0.794 0.734 0.875 0.625 CB 0.932 9 residues pruned to eliminate duplicates Z: 12 6.031 1.607 0.214 0.910 1.000 0.727 CB 0.661 12 residues pruned to eliminate duplicates Z: 10 13.033 1.991 0.417 0.778 0.889 0.556 CB 1.356 10 residues pruned to eliminate duplicates Z: 6 3.699 1.449 0.753 0.366 0.600 0.400 CA 1.253 Z: 20 27.672 2.102 0.262 0.947 1.000 0.947 CA 1.655 20 residues pruned to eliminate duplicates Z: 6 6.278 1.861 -0.062 0.719 1.000 0.800 CB 1.319 7 residues pruned to eliminate duplicates Z: 122 57.037 2.219 0.560 0.574 0.926 0.628 CB 1.507 122 residues pruned to eliminate duplicates Z: 6 4.252 1.691 0.024 0.631 0.800 0.600 CB 1.213 5 residues pruned to eliminate duplicates Z: 18 18.556 1.852 0.354 0.879 1.000 0.882 CB 1.301 18 residues pruned to eliminate duplicates Z: 12 4.728 1.388 0.186 0.720 0.909 0.364 CB 0.781 7 residues pruned to eliminate duplicates Z: 12 14.522 1.954 0.556 0.608 0.909 0.636 CB 1.431 12 residues pruned to eliminate duplicates Z: 13 20.941 2.269 0.314 0.881 1.000 0.917 CA 1.468 13 residues pruned to eliminate duplicates Z: 37 22.302 1.863 0.512 0.627 0.917 0.472 CB 1.277 31 residues pruned to eliminate duplicates Z: 6 4.554 1.669 -0.083 0.589 1.000 0.600 N 1.222 6 residues pruned to eliminate duplicates Z: 23 17.422 2.040 0.502 0.645 0.864 0.545 CB 1.226 23 residues pruned to eliminate duplicates Z: 7 6.613 1.584 0.544 0.681 1.000 0.667 CA 0.934 7 residues pruned to eliminate duplicates Z: 38 31.305 2.185 0.577 0.600 0.946 0.595 CA 1.436 38 residues pruned to eliminate duplicates Z: 34 28.973 2.210 0.394 0.710 0.970 0.576 CB 1.396 34 residues pruned to eliminate duplicates Z: 7 4.631 1.545 0.075 0.889 1.000 1.000 CB 0.819 7 residues pruned to eliminate duplicates 10 1.739 1.429 0.122 0.212 0.556 0.444 CB 0.914 ? Z: 31 33.998 2.078 0.878 0.741 0.933 0.567 CB 1.373 31 residues pruned to eliminate duplicates Z: 11 8.793 1.973 -0.095 0.859 0.900 0.800 CB 1.273 11 residues pruned to eliminate duplicates Z: 10 5.266 1.640 0.150 0.666 0.778 0.556 CB 1.027 10 residues pruned to eliminate duplicates Z: 13 16.444 2.126 0.595 0.547 0.833 0.583 CB 1.605 13 residues pruned to eliminate duplicates Z: 19 17.058 1.805 0.437 0.849 0.944 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 18 17.201 1.831 0.426 0.887 1.000 0.824 CB 1.152 18 residues pruned to eliminate duplicates Z: 7 9.599 1.713 0.491 0.872 1.000 0.833 CA 1.119 7 residues pruned to eliminate duplicates Z: 15 7.145 1.786 0.131 0.457 0.929 0.643 CB 1.065 Z: 8 8.443 1.775 0.290 0.700 1.000 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 6 2.546 1.610 -0.084 0.466 0.800 0.400 CB 0.998 Z: 62 41.391 2.162 0.656 0.614 0.918 0.672 CB 1.447 62 residues pruned to eliminate duplicates Z: 11 6.576 1.789 0.292 0.766 0.800 0.700 CB 0.888 11 residues pruned to eliminate duplicates Z: 14 24.949 2.201 0.550 0.866 1.000 0.769 CA 1.485 14 residues pruned to eliminate duplicates Z: 15 23.903 2.152 0.444 0.898 0.929 0.857 CB 1.584 15 residues pruned to eliminate duplicates Z: 17 19.110 1.829 0.704 0.923 0.938 0.750 CB 1.149 17 residues pruned to eliminate duplicates Z: 39 33.593 2.162 0.599 0.565 0.921 0.579 CB 1.607 39 residues pruned to eliminate duplicates Z: 19 25.411 2.080 0.628 0.879 0.944 0.778 CB 1.358 19 residues pruned to eliminate duplicates Z: 17 32.117 2.079 0.892 0.933 1.000 0.312 CB 1.425 17 residues pruned to eliminate duplicates Z: 11 16.916 2.234 0.479 0.841 0.900 0.500 CB 1.341 11 residues pruned to eliminate duplicates Z: 21 13.522 1.925 0.333 0.511 0.850 0.650 CB 1.372 21 residues pruned to eliminate duplicates Z: 24 16.053 1.908 0.466 0.573 0.870 0.696 CB 1.283 24 residues pruned to eliminate duplicates Z: 49 38.542 2.260 0.576 0.576 0.917 0.583 CA 1.584 49 residues pruned to eliminate duplicates Z: 19 15.124 2.197 0.370 0.485 0.944 0.556 CA 1.273 19 residues pruned to eliminate duplicates Z: 15 17.763 2.228 0.137 0.893 1.000 0.857 CB 1.346 15 residues pruned to eliminate duplicates Z: 18 11.741 1.875 0.322 0.592 0.765 0.412 CB 1.376 18 residues pruned to eliminate duplicates Z: 11 9.734 2.041 0.649 0.665 0.800 0.500 CB 0.981 11 residues pruned to eliminate duplicates Z: 20 29.230 2.057 0.913 0.869 0.895 0.526 CB 1.391 20 residues pruned to eliminate duplicates Z: 25 25.591 2.158 0.721 0.601 0.958 0.542 CA 1.333 25 residues pruned to eliminate duplicates Z: 6 4.879 1.788 -0.061 0.772 1.000 1.000 CB 1.022 6 residues pruned to eliminate duplicates Z: 10 19.616 1.803 0.986 0.903 1.000 0.556 CB 1.302 10 residues pruned to eliminate duplicates Z: 9 10.239 1.852 0.423 0.892 1.000 0.625 CA 0.987 9 residues pruned to eliminate duplicates Z: 22 14.165 1.791 0.667 0.631 0.952 0.429 CB 0.961 8 residues pruned to eliminate duplicates Z: 21 14.193 1.786 0.630 0.628 1.000 0.600 CB 0.966 21 residues pruned to eliminate duplicates Z: 9 4.180 1.591 0.336 0.834 0.750 0.500 CB 0.695 9 residues pruned to eliminate duplicates Z: 12 3.877 1.532 0.161 0.299 0.818 0.273 CB 1.005 12 residues pruned to eliminate duplicates Z: 10 16.403 1.997 0.402 0.858 1.000 0.556 CB 1.438 10 residues pruned to eliminate duplicates Z: 6 9.500 2.340 0.151 0.635 0.800 0.600 CB 1.737 6 residues pruned to eliminate duplicates Z: 7 2.813 1.521 0.191 0.302 0.833 0.333 CA 0.949 7 residues pruned to eliminate duplicates Z: 18 31.905 2.134 0.717 0.927 0.941 0.529 CB 1.573 18 residues pruned to eliminate duplicates Z: 40 17.869 1.924 0.302 0.481 0.872 0.641 CB 1.336 40 residues pruned to eliminate duplicates Z: 7 6.351 1.823 -0.026 0.729 0.833 0.500 N 1.425 6 residues pruned to eliminate duplicates Z: 6 12.154 1.814 0.594 0.855 1.000 1.000 CA 1.387 6 residues pruned to eliminate duplicates Z: 8 9.650 1.999 0.264 0.679 0.857 0.857 CA 1.429 8 residues pruned to eliminate duplicates Z: 37 24.631 2.060 0.476 0.531 0.917 0.694 CB 1.427 37 residues pruned to eliminate duplicates Z: 29 18.848 2.087 0.526 0.364 0.893 0.429 CB 1.449 29 residues pruned to eliminate duplicates Z: 157 59.734 2.170 0.545 0.555 0.910 0.679 CB 1.485 157 residues pruned to eliminate duplicates Z: 33 32.480 2.011 0.942 0.737 0.875 0.562 CB 1.358 33 residues pruned to eliminate duplicates Z: 8 5.434 1.827 -0.079 0.923 1.000 1.000 CB 0.857 8 residues pruned to eliminate duplicates Z: 57 40.978 2.206 0.621 0.594 0.964 0.714 CB 1.451 57 residues pruned to eliminate duplicates Z: 52 30.535 2.176 0.466 0.541 0.941 0.627 CB 1.368 52 residues pruned to eliminate duplicates Z: 10 7.375 1.584 0.655 0.427 0.778 0.556 N 1.301 10 residues pruned to eliminate duplicates Z: 6 11.424 1.990 0.476 0.783 1.000 0.600 CB 1.355 6 residues pruned to eliminate duplicates Z: 18 29.438 2.101 0.814 0.906 0.882 0.353 CB 1.510 18 residues pruned to eliminate duplicates Z: 9 19.713 1.983 0.861 0.883 1.000 0.625 CB 1.366 9 residues pruned to eliminate duplicates Z: 6 2.083 1.653 0.158 0.100 0.800 0.600 CB 1.014 Z: 6 13.194 2.144 0.697 0.756 1.000 0.800 CB 1.292 6 residues pruned to eliminate duplicates Z: 39 31.616 2.236 0.506 0.536 0.974 0.632 CA 1.509 39 residues pruned to eliminate duplicates Z: 11 8.149 1.996 0.345 0.800 0.700 0.100 CB 1.055 11 residues pruned to eliminate duplicates Z: 12 12.842 2.114 0.311 0.840 1.000 0.818 CB 1.043 12 residues pruned to eliminate duplicates Z: 15 19.333 2.154 0.615 0.893 0.857 0.571 CB 1.244 15 residues pruned to eliminate duplicates Z: 6 5.747 1.765 0.276 0.661 0.800 0.400 CB 1.229 6 residues pruned to eliminate duplicates Z: 37 17.242 1.731 0.557 0.539 1.000 0.722 CA 1.027 36 residues pruned to eliminate duplicates 7 1.103 1.052 0.738 0.246 0.667 0.333 N 0.495 ? Z: 7 5.916 1.512 0.423 0.895 1.000 1.000 CB 0.804 7 residues pruned to eliminate duplicates Z: 25 17.389 1.935 0.550 0.476 0.875 0.833 CB 1.385 25 residues pruned to eliminate duplicates Z: 20 37.986 2.160 0.795 0.933 0.947 0.211 CB 1.656 44 residues pruned to eliminate duplicates Z: 14 9.016 1.930 0.590 0.341 0.769 0.538 CB 1.261 14 residues pruned to eliminate duplicates Z: 9 6.606 1.758 0.461 0.494 0.750 0.625 CA 1.220 9 residues pruned to eliminate duplicates Z: 32 17.346 1.823 0.607 0.466 0.968 0.581 CB 1.137 32 residues pruned to eliminate duplicates Z: 6 2.243 1.205 0.592 0.463 0.800 0.800 N 0.678 6 residues pruned to eliminate duplicates Z: 9 4.907 1.542 0.034 0.753 1.000 0.875 CB 0.869 9 residues pruned to eliminate duplicates Z: 44 31.160 2.083 0.655 0.568 0.953 0.721 CB 1.354 44 residues pruned to eliminate duplicates Z: 8 7.498 1.784 0.259 0.680 0.857 0.143 CB 1.247 8 residues pruned to eliminate duplicates Z: 24 17.668 2.015 0.493 0.579 0.957 0.652 CB 1.186 39 residues pruned to eliminate duplicates Z: 13 14.225 1.827 0.417 0.876 0.917 0.583 CB 1.258 13 residues pruned to eliminate duplicates Z: 20 14.476 2.098 0.317 0.533 0.895 0.684 CB 1.300 20 residues pruned to eliminate duplicates 6 1.375 1.322 0.186 0.290 0.600 0.400 N 0.827 ? Z: 9 14.549 2.084 0.758 0.584 0.875 0.625 CA 1.480 9 residues pruned to eliminate duplicates Z: 27 30.777 2.122 0.730 0.656 0.923 0.731 CB 1.541 27 residues pruned to eliminate duplicates Z: 18 24.255 1.884 0.698 0.904 1.000 0.765 CB 1.310 18 residues pruned to eliminate duplicates Z: 19 31.017 2.075 0.781 0.914 0.944 0.556 CB 1.482 19 residues pruned to eliminate duplicates 6 1.821 1.202 0.495 0.294 0.800 0.400 N 0.714 ? Z: 67 44.901 2.163 0.571 0.483 1.000 0.561 CB 1.655 67 residues pruned to eliminate duplicates Z: 8 7.035 1.938 -0.082 0.783 1.000 0.714 CB 1.165 8 residues pruned to eliminate duplicates Z: 16 19.105 1.900 0.574 0.792 0.933 0.667 CB 1.368 16 residues pruned to eliminate duplicates Z: 11 8.291 1.924 0.682 0.497 0.800 0.700 CB 1.016 11 residues pruned to eliminate duplicates Z: 15 6.827 1.875 0.389 0.397 0.714 0.500 CB 1.094 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 12.210 2.045 0.744 0.626 1.000 0.714 CA 1.149 9 residues pruned to eliminate duplicates Z: 7 6.711 1.737 0.453 0.521 0.833 0.667 CB 1.275 5 residues pruned to eliminate duplicates Z: 6 6.675 1.523 1.456 0.449 1.000 0.600 CA 0.841 6 residues pruned to eliminate duplicates Z: 8 16.449 2.116 0.783 0.711 1.000 0.714 CA 1.360 9 residues pruned to eliminate duplicates Z: 6 3.299 1.779 0.055 0.396 0.800 0.400 CB 1.097 6 residues pruned to eliminate duplicates Z: 9 11.536 2.106 0.735 0.636 0.750 0.750 CB 1.310 9 residues pruned to eliminate duplicates Z: 48 37.188 2.216 0.560 0.565 0.979 0.638 CA 1.505 48 residues pruned to eliminate duplicates Z: 47 35.147 2.195 0.552 0.532 1.000 0.565 CA 1.474 47 residues pruned to eliminate duplicates Z: 47 38.014 2.198 0.656 0.560 0.978 0.565 CA 1.485 47 residues pruned to eliminate duplicates Z: 59 36.377 2.189 0.560 0.539 0.879 0.586 CA 1.530 66 residues pruned to eliminate duplicates Z: 6 4.042 1.845 0.073 0.510 0.600 0.400 CB 1.506 Z: 8 7.654 1.786 0.065 0.690 1.000 0.714 CA 1.278 6 residues pruned to eliminate duplicates Z: 15 18.774 2.099 0.521 0.773 1.000 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 22 22.629 2.107 0.702 0.721 0.905 0.524 CB 1.247 22 residues pruned to eliminate duplicates Z: 16 14.284 1.998 0.470 0.741 0.933 0.667 CB 1.084 16 residues pruned to eliminate duplicates Z: 24 19.815 1.999 0.701 0.653 0.870 0.522 CB 1.212 23 residues pruned to eliminate duplicates Z: 13 11.624 1.992 0.457 0.760 0.833 0.500 CB 1.101 13 residues pruned to eliminate duplicates Z: 23 17.696 2.037 0.474 0.672 0.818 0.636 CB 1.310 23 residues pruned to eliminate duplicates Z: 22 22.606 2.140 0.724 0.713 0.810 0.667 CB 1.362 22 residues pruned to eliminate duplicates Z: 15 10.727 1.877 0.459 0.674 0.857 0.643 CB 1.041 15 residues pruned to eliminate duplicates Z: 22 18.017 2.055 0.422 0.666 0.905 0.524 CB 1.275 22 residues pruned to eliminate duplicates Z: 22 21.381 2.127 0.654 0.711 0.857 0.571 CB 1.278 22 residues pruned to eliminate duplicates Z: 24 20.094 1.987 0.612 0.640 0.913 0.565 CB 1.257 24 residues pruned to eliminate duplicates Z: 23 22.810 2.079 0.621 0.696 0.955 0.545 CB 1.263 23 residues pruned to eliminate duplicates Z: 16 16.680 2.088 0.566 0.719 0.867 0.467 CB 1.247 18 residues pruned to eliminate duplicates Z: 14 12.710 2.048 0.529 0.678 0.846 0.538 CB 1.129 14 residues pruned to eliminate duplicates Z: 19 14.791 2.117 0.322 0.688 0.833 0.611 CB 1.258 19 residues pruned to eliminate duplicates Z: 23 20.438 2.038 0.660 0.669 0.818 0.682 CB 1.347 21 residues pruned to eliminate duplicates Z: 7 8.916 1.809 0.420 0.772 0.833 0.833 CB 1.337 7 residues pruned to eliminate duplicates Z: 8 9.645 1.690 0.543 0.687 1.000 0.857 CA 1.178 8 residues pruned to eliminate duplicates Z: 81 47.540 2.173 0.574 0.601 0.925 0.500 CB 1.526 81 residues pruned to eliminate duplicates Z: 58 41.841 2.179 0.621 0.567 0.965 0.632 CA 1.524 58 residues pruned to eliminate duplicates Z: 48 37.288 2.233 0.610 0.567 0.936 0.553 CA 1.515 48 residues pruned to eliminate duplicates Z: 9 4.804 1.626 0.352 0.516 0.750 0.375 CB 1.013 8 residues pruned to eliminate duplicates Z: 7 4.727 1.805 0.384 0.324 0.833 0.333 CA 1.125 7 residues pruned to eliminate duplicates Z: 12 18.634 2.042 0.770 0.641 0.909 0.636 CB 1.498 11 residues pruned to eliminate duplicates Z: 6 3.972 1.532 0.451 0.300 0.800 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 13 16.305 1.947 0.733 0.570 0.917 0.417 CB 1.422 12 residues pruned to eliminate duplicates Z: 6 5.454 1.578 0.575 0.494 0.800 0.800 C 1.234 6 residues pruned to eliminate duplicates Z: 12 18.415 2.067 0.756 0.640 0.909 0.636 CB 1.477 13 residues pruned to eliminate duplicates Z: 7 6.391 1.648 0.030 0.676 1.000 0.667 O 1.306 6 residues pruned to eliminate duplicates Z: 9 8.038 1.699 0.345 0.559 0.875 0.375 CB 1.342 9 residues pruned to eliminate duplicates Z: 9 7.349 1.651 0.214 0.594 0.875 0.750 CA 1.355 9 residues pruned to eliminate duplicates Z: 9 8.176 1.718 0.246 0.604 0.875 0.625 CA 1.397 9 residues pruned to eliminate duplicates Z: 9 9.525 1.625 0.240 0.700 1.000 0.750 CA 1.392 9 residues pruned to eliminate duplicates Z: 10 7.709 1.549 0.384 0.548 1.000 0.667 CA 1.144 10 residues pruned to eliminate duplicates Z: 14 14.223 1.793 0.545 0.573 1.000 0.462 CB 1.327 14 residues pruned to eliminate duplicates Z: 12 15.827 1.992 0.485 0.629 1.000 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 7 3.618 1.834 0.294 0.234 0.833 0.167 CA 1.018 7 residues pruned to eliminate duplicates Z: 8 5.439 1.690 0.523 0.343 0.714 0.286 CA 1.326 8 residues pruned to eliminate duplicates Z: 13 10.380 1.914 0.516 0.489 0.750 0.500 CB 1.393 13 residues pruned to eliminate duplicates Z: 12 15.402 2.015 0.600 0.628 0.909 0.727 CB 1.404 12 residues pruned to eliminate duplicates Z: 11 14.078 2.091 0.536 0.663 0.900 0.600 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 16.109 2.106 0.573 0.684 0.900 0.700 CB 1.444 11 residues pruned to eliminate duplicates Z: 12 14.728 1.984 0.561 0.650 0.909 0.818 CB 1.371 12 residues pruned to eliminate duplicates Z: 26 15.913 1.898 0.575 0.622 0.920 0.440 CB 1.032 26 residues pruned to eliminate duplicates Z: 18 18.605 2.053 0.609 0.745 0.941 0.471 CB 1.166 18 residues pruned to eliminate duplicates Z: 16 16.111 1.976 0.408 0.760 1.000 0.267 CB 1.186 16 residues pruned to eliminate duplicates Z: 15 18.575 2.063 0.575 0.803 1.000 0.214 CB 1.173 15 residues pruned to eliminate duplicates Z: 14 11.880 2.033 0.450 0.778 0.846 0.615 CB 1.034 14 residues pruned to eliminate duplicates Z: 24 17.891 1.990 0.446 0.666 0.913 0.348 CB 1.218 24 residues pruned to eliminate duplicates Z: 20 15.595 2.061 0.563 0.694 0.789 0.474 CB 1.178 20 residues pruned to eliminate duplicates Z: 13 16.329 1.976 0.485 0.806 1.000 0.333 CB 1.229 13 residues pruned to eliminate duplicates Z: 18 11.856 1.961 0.397 0.651 0.824 0.294 CB 1.107 18 residues pruned to eliminate duplicates Z: 24 18.120 1.965 0.556 0.666 0.957 0.435 CB 1.108 24 residues pruned to eliminate duplicates Z: 22 17.280 2.080 0.433 0.728 0.905 0.476 CB 1.139 22 residues pruned to eliminate duplicates Z: 22 13.437 1.910 0.621 0.628 0.762 0.381 CB 1.102 22 residues pruned to eliminate duplicates Z: 23 20.196 2.040 0.637 0.719 0.909 0.636 CB 1.163 22 residues pruned to eliminate duplicates Z: 14 10.890 2.061 0.457 0.665 0.846 0.538 CB 1.020 14 residues pruned to eliminate duplicates Z: 22 21.210 2.119 0.681 0.739 0.905 0.571 CB 1.159 22 residues pruned to eliminate duplicates Z: 24 17.587 2.036 0.612 0.620 0.870 0.565 CB 1.148 24 residues pruned to eliminate duplicates Z: 22 17.672 2.117 0.586 0.647 0.810 0.619 CB 1.237 22 residues pruned to eliminate duplicates Z: 9 15.210 1.908 0.596 0.684 1.000 0.875 CB 1.491 10 residues pruned to eliminate duplicates Z: 23 30.587 2.005 0.725 0.840 1.000 0.773 CA 1.407 23 residues pruned to eliminate duplicates Z: 14 17.832 1.955 0.735 0.628 1.000 0.462 CA 1.293 14 residues pruned to eliminate duplicates Z: 20 25.480 2.069 0.527 0.891 0.947 0.789 CA 1.404 20 residues pruned to eliminate duplicates Z: 30 27.793 1.960 0.613 0.733 0.897 0.793 CA 1.476 29 residues pruned to eliminate duplicates Z: 18 26.838 2.095 0.557 0.906 0.941 0.706 CA 1.508 18 residues pruned to eliminate duplicates Z: 27 27.254 1.953 0.696 0.721 0.962 0.538 CA 1.374 27 residues pruned to eliminate duplicates Z: 19 17.719 2.045 0.560 0.558 0.833 0.556 CA 1.484 19 residues pruned to eliminate duplicates Z: 28 35.740 2.118 0.730 0.803 0.963 0.704 CB 1.496 28 residues pruned to eliminate duplicates Z: 20 25.698 1.962 0.778 0.779 0.947 0.579 CB 1.395 20 residues pruned to eliminate duplicates Z: 26 31.342 2.053 0.799 0.748 0.920 0.440 CA 1.478 26 residues pruned to eliminate duplicates Z: 23 33.715 2.048 0.860 0.801 1.000 0.364 CA 1.450 23 residues pruned to eliminate duplicates Z: 25 28.739 1.952 0.870 0.749 0.917 0.417 CA 1.404 25 residues pruned to eliminate duplicates Z: 23 31.376 2.032 0.822 0.801 0.955 0.545 CA 1.455 23 residues pruned to eliminate duplicates Z: 25 28.518 1.997 0.766 0.755 0.917 0.583 CB 1.435 25 residues pruned to eliminate duplicates Z: 25 29.937 1.996 0.816 0.759 0.917 0.375 CB 1.461 25 residues pruned to eliminate duplicates Z: 21 27.140 2.077 0.773 0.850 0.850 0.450 CA 1.436 21 residues pruned to eliminate duplicates Z: 25 26.133 1.965 0.806 0.769 0.875 0.458 CA 1.354 25 residues pruned to eliminate duplicates Z: 25 28.106 1.959 0.781 0.763 0.917 0.542 CA 1.419 25 residues pruned to eliminate duplicates Z: 25 29.527 1.979 0.848 0.766 0.917 0.417 CB 1.420 25 residues pruned to eliminate duplicates Z: 24 29.520 1.997 0.737 0.790 0.957 0.522 CA 1.438 24 residues pruned to eliminate duplicates Z: 34 34.624 2.028 0.757 0.770 0.939 0.485 CB 1.418 33 residues pruned to eliminate duplicates Z: 8 3.434 1.332 0.977 0.377 0.857 0.571 CB 0.656 Z: 6 6.055 1.591 1.083 0.447 1.000 0.800 CA 0.863 Z: 7 9.198 1.991 0.212 0.686 0.833 0.667 CA 1.575 7 residues pruned to eliminate duplicates Z: 8 11.795 1.854 0.346 0.751 1.000 0.714 CA 1.427 6 residues pruned to eliminate duplicates Z: 7 6.436 1.648 0.170 0.702 0.833 0.333 CB 1.361 7 residues pruned to eliminate duplicates Z: 9 7.519 1.716 0.329 0.585 0.875 0.500 CA 1.228 9 residues pruned to eliminate duplicates Z: 8 9.057 1.909 0.346 0.528 0.857 0.714 CA 1.511 8 residues pruned to eliminate duplicates Z: 6 11.927 1.951 0.435 0.694 1.000 0.400 CB 1.595 6 residues pruned to eliminate duplicates Z: 20 23.487 1.908 0.454 0.931 1.000 0.947 CA 1.357 20 residues pruned to eliminate duplicates Z: 14 14.648 1.922 0.635 0.541 0.846 0.615 CA 1.467 14 residues pruned to eliminate duplicates Z: 13 16.486 1.981 0.645 0.670 0.833 0.333 CA 1.498 13 residues pruned to eliminate duplicates Z: 25 28.808 1.943 0.576 0.824 1.000 0.625 CA 1.450 21 residues pruned to eliminate duplicates Z: 18 30.581 2.093 0.718 0.938 0.941 0.706 CA 1.523 18 residues pruned to eliminate duplicates Z: 17 21.171 1.855 1.059 0.613 0.938 0.250 CA 1.327 18 residues pruned to eliminate duplicates Z: 19 32.964 2.074 0.838 0.922 0.944 0.722 CA 1.517 19 residues pruned to eliminate duplicates Z: 30 22.858 1.866 0.725 0.640 0.862 0.517 CB 1.342 30 residues pruned to eliminate duplicates Z: 26 27.806 1.936 0.746 0.774 0.920 0.440 CB 1.404 26 residues pruned to eliminate duplicates Z: 26 30.005 1.893 0.879 0.818 0.920 0.440 CB 1.391 26 residues pruned to eliminate duplicates Z: 25 29.366 1.942 0.835 0.757 0.958 0.500 CB 1.396 25 residues pruned to eliminate duplicates Z: 24 35.718 1.999 0.874 0.812 1.000 0.609 CB 1.515 24 residues pruned to eliminate duplicates Z: 35 32.696 1.953 0.804 0.757 0.912 0.588 CB 1.388 34 residues pruned to eliminate duplicates Z: 20 32.251 1.959 0.980 0.919 0.947 0.632 CA 1.419 20 residues pruned to eliminate duplicates Z: 22 29.871 2.028 0.806 0.826 0.905 0.571 CA 1.484 22 residues pruned to eliminate duplicates Z: 34 32.711 1.989 0.874 0.746 0.879 0.485 CB 1.395 34 residues pruned to eliminate duplicates Z: 25 27.995 1.917 0.692 0.806 0.958 0.500 CA 1.407 25 residues pruned to eliminate duplicates Z: 23 34.505 1.982 0.937 0.840 0.955 0.727 CA 1.498 23 residues pruned to eliminate duplicates Z: 29 30.176 1.946 0.866 0.756 0.929 0.500 CB 1.346 29 residues pruned to eliminate duplicates Z: 33 30.281 1.991 0.767 0.755 0.906 0.500 CB 1.338 33 residues pruned to eliminate duplicates Z: 10 10.358 1.965 0.611 0.641 0.889 0.444 CB 1.075 10 residues pruned to eliminate duplicates Z: 9 10.195 2.060 0.730 0.708 0.875 0.625 CB 0.957 9 residues pruned to eliminate duplicates Z: 10 9.227 2.015 0.725 0.526 0.778 0.444 CB 1.108 10 residues pruned to eliminate duplicates Z: 31 32.395 2.042 0.935 0.748 0.833 0.400 CB 1.440 31 residues pruned to eliminate duplicates Z: 23 15.242 1.925 0.537 0.521 0.864 0.591 CB 1.245 23 residues pruned to eliminate duplicates Z: 11 15.345 2.085 1.167 0.578 0.800 0.600 CB 1.246 11 residues pruned to eliminate duplicates Z: 8 14.094 2.304 1.002 0.719 0.714 0.571 CB 1.326 8 residues pruned to eliminate duplicates Z: 11 16.966 2.114 1.086 0.568 0.900 0.500 CB 1.266 11 residues pruned to eliminate duplicates Z: 18 22.301 1.885 0.671 0.904 1.000 0.647 CB 1.223 18 residues pruned to eliminate duplicates Z: 18 21.872 1.903 0.606 0.900 1.000 0.647 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 18.503 1.805 0.700 0.838 0.944 0.722 CB 1.125 19 residues pruned to eliminate duplicates Z: 18 21.665 1.904 0.565 0.877 1.000 0.706 CB 1.280 18 residues pruned to eliminate duplicates Z: 17 22.397 1.953 0.658 0.914 1.000 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 14 19.612 2.013 0.493 0.865 1.000 0.385 CB 1.326 14 residues pruned to eliminate duplicates Z: 18 23.319 1.892 0.702 0.896 1.000 0.706 CB 1.258 18 residues pruned to eliminate duplicates Z: 19 22.293 1.806 0.785 0.915 1.000 0.667 CB 1.152 19 residues pruned to eliminate duplicates Z: 19 21.866 1.806 0.770 0.916 1.000 0.556 CB 1.138 19 residues pruned to eliminate duplicates Z: 18 22.357 1.887 0.730 0.901 0.941 0.706 CB 1.259 18 residues pruned to eliminate duplicates Z: 18 21.590 1.906 0.658 0.902 0.941 0.588 CB 1.256 18 residues pruned to eliminate duplicates Z: 18 23.260 1.891 0.680 0.898 1.000 0.588 CB 1.270 18 residues pruned to eliminate duplicates Z: 18 22.314 1.893 0.582 0.882 1.000 0.529 CB 1.307 18 residues pruned to eliminate duplicates Z: 19 21.364 1.797 0.734 0.832 1.000 0.500 CB 1.214 19 residues pruned to eliminate duplicates Z: 19 18.816 1.808 0.711 0.894 0.889 0.611 CB 1.157 19 residues pruned to eliminate duplicates Z: 18 24.027 1.885 0.764 0.869 1.000 0.529 CB 1.280 18 residues pruned to eliminate duplicates Z: 6 9.077 1.861 0.263 0.834 1.000 0.800 CB 1.295 6 residues pruned to eliminate duplicates Z: 6 6.408 1.829 0.191 0.834 0.800 0.800 CB 1.233 6 residues pruned to eliminate duplicates Z: 6 6.343 1.815 0.234 0.656 1.000 1.000 CA 1.095 6 residues pruned to eliminate duplicates Z: 19 21.912 1.881 0.552 0.912 1.000 0.889 CB 1.253 19 residues pruned to eliminate duplicates Z: 19 20.899 1.869 0.604 0.878 0.944 0.833 CB 1.262 19 residues pruned to eliminate duplicates Z: 19 22.400 1.843 0.644 0.893 1.000 0.667 CB 1.251 19 residues pruned to eliminate duplicates Z: 19 23.490 1.870 0.604 0.919 1.000 0.889 CB 1.301 19 residues pruned to eliminate duplicates Z: 19 25.413 1.887 0.727 0.921 1.000 0.722 CB 1.293 19 residues pruned to eliminate duplicates Z: 18 25.942 1.933 0.698 0.912 1.000 0.824 CB 1.357 18 residues pruned to eliminate duplicates Z: 19 24.647 1.884 0.670 0.918 1.000 0.833 CB 1.302 19 residues pruned to eliminate duplicates Z: 20 21.113 1.824 0.580 0.825 1.000 0.632 CB 1.269 20 residues pruned to eliminate duplicates Z: 18 27.365 1.940 0.778 0.908 1.000 0.824 CB 1.367 18 residues pruned to eliminate duplicates Z: 19 25.365 1.888 0.747 0.914 1.000 0.722 CB 1.282 18 residues pruned to eliminate duplicates Z: 18 25.279 1.932 0.677 0.912 1.000 0.882 CB 1.340 18 residues pruned to eliminate duplicates Z: 19 25.582 1.887 0.700 0.928 1.000 0.722 CB 1.316 19 residues pruned to eliminate duplicates Z: 18 25.710 1.923 0.651 0.910 1.000 1.000 CB 1.393 18 residues pruned to eliminate duplicates Z: 18 24.745 1.920 0.691 0.906 1.000 0.529 CB 1.314 18 residues pruned to eliminate duplicates Z: 16 16.838 1.979 0.403 0.894 1.000 0.800 CB 1.124 16 residues pruned to eliminate duplicates Z: 14 13.022 1.991 0.192 0.838 0.923 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 14 14.642 1.998 0.477 0.797 0.846 0.538 CB 1.254 14 residues pruned to eliminate duplicates Z: 17 19.484 1.920 0.466 0.899 1.000 0.688 CB 1.238 17 residues pruned to eliminate duplicates Z: 16 19.782 1.987 0.620 0.888 1.000 0.867 CB 1.143 16 residues pruned to eliminate duplicates Z: 18 14.439 1.823 0.374 0.827 0.941 0.706 CB 1.119 18 residues pruned to eliminate duplicates Z: 14 17.220 1.998 0.565 0.820 0.923 0.615 CB 1.253 14 residues pruned to eliminate duplicates Z: 18 18.525 1.839 0.560 0.880 0.941 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 17 20.033 1.902 0.655 0.860 0.938 0.750 CB 1.248 18 residues pruned to eliminate duplicates Z: 17 21.128 1.894 0.683 0.879 1.000 0.688 CB 1.202 17 residues pruned to eliminate duplicates Z: 19 15.861 1.749 0.642 0.772 0.944 0.556 CB 1.083 19 residues pruned to eliminate duplicates Z: 17 20.743 1.929 0.658 0.893 0.938 0.812 CB 1.242 17 residues pruned to eliminate duplicates Z: 18 16.796 1.836 0.596 0.825 0.882 0.706 CB 1.190 18 residues pruned to eliminate duplicates Z: 17 19.207 1.890 0.707 0.832 0.938 0.562 CB 1.192 17 residues pruned to eliminate duplicates Z: 16 21.454 1.982 0.825 0.894 0.933 0.600 CB 1.177 16 residues pruned to eliminate duplicates Z: 18 25.192 1.938 0.671 0.912 1.000 0.647 CB 1.336 18 residues pruned to eliminate duplicates Z: 20 20.572 1.822 0.596 0.814 1.000 0.632 CB 1.236 20 residues pruned to eliminate duplicates Z: 19 22.982 1.895 0.561 0.901 1.000 0.556 CB 1.308 19 residues pruned to eliminate duplicates Z: 18 22.202 1.932 0.531 0.893 0.941 0.529 CB 1.389 18 residues pruned to eliminate duplicates Z: 18 22.332 1.945 0.455 0.898 1.000 0.706 CB 1.369 18 residues pruned to eliminate duplicates Z: 18 25.209 1.942 0.609 0.898 1.000 0.765 CB 1.400 18 residues pruned to eliminate duplicates Z: 18 27.920 1.956 0.757 0.890 1.000 0.765 CB 1.418 18 residues pruned to eliminate duplicates Z: 18 23.128 1.930 0.496 0.910 1.000 0.824 CB 1.378 18 residues pruned to eliminate duplicates Z: 18 26.564 1.951 0.697 0.906 1.000 0.471 CB 1.384 18 residues pruned to eliminate duplicates Z: 19 24.944 1.897 0.676 0.907 1.000 0.722 CB 1.315 19 residues pruned to eliminate duplicates Z: 18 24.010 1.940 0.694 0.894 1.000 0.588 CB 1.271 18 residues pruned to eliminate duplicates Z: 19 22.012 1.889 0.470 0.895 0.944 0.500 CB 1.419 19 residues pruned to eliminate duplicates Z: 18 26.829 1.936 0.733 0.906 1.000 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 18 26.912 1.943 0.713 0.909 1.000 0.765 CB 1.391 18 residues pruned to eliminate duplicates Z: 19 26.626 1.907 0.782 0.908 1.000 0.556 CB 1.312 19 residues pruned to eliminate duplicates Z: 19 22.114 1.847 0.737 0.863 1.000 0.444 CB 1.192 19 residues pruned to eliminate duplicates Z: 24 21.784 1.982 0.586 0.686 0.870 0.565 CB 1.401 24 residues pruned to eliminate duplicates Z: 13 9.103 1.894 0.241 0.699 0.833 0.417 CB 1.119 13 residues pruned to eliminate duplicates Z: 24 20.089 1.972 0.602 0.673 0.826 0.565 CB 1.369 24 residues pruned to eliminate duplicates Z: 27 21.511 1.947 0.635 0.679 0.885 0.462 CB 1.270 29 residues pruned to eliminate duplicates Z: 13 13.238 1.780 0.412 0.749 0.917 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 23 20.628 2.020 0.559 0.698 0.818 0.727 CB 1.425 23 residues pruned to eliminate duplicates Z: 22 23.275 2.066 0.546 0.688 0.952 0.571 CB 1.406 22 residues pruned to eliminate duplicates Z: 30 21.846 1.890 0.569 0.631 0.966 0.483 CB 1.253 29 residues pruned to eliminate duplicates Z: 14 11.640 1.860 0.334 0.683 0.846 0.462 CB 1.300 14 residues pruned to eliminate duplicates Z: 22 20.956 2.073 0.541 0.682 0.857 0.619 CB 1.412 22 residues pruned to eliminate duplicates Z: 24 22.206 2.016 0.555 0.706 0.913 0.609 CB 1.341 24 residues pruned to eliminate duplicates Z: 27 20.100 1.943 0.603 0.652 0.885 0.538 CB 1.242 27 residues pruned to eliminate duplicates Z: 28 18.021 1.932 0.531 0.619 0.778 0.481 CB 1.347 28 residues pruned to eliminate duplicates Z: 88 45.302 2.105 0.560 0.608 0.931 0.598 CB 1.434 88 residues pruned to eliminate duplicates Z: 24 20.596 1.994 0.391 0.708 0.913 0.565 CB 1.404 24 residues pruned to eliminate duplicates Z: 24 20.890 2.000 0.500 0.630 0.870 0.652 CB 1.478 24 residues pruned to eliminate duplicates Z: 23 18.698 1.981 0.533 0.682 0.818 0.636 CB 1.357 23 residues pruned to eliminate duplicates Z: 29 21.234 1.892 0.538 0.669 0.929 0.464 CB 1.270 29 residues pruned to eliminate duplicates Z: 28 20.159 1.910 0.503 0.658 0.889 0.444 CB 1.312 28 residues pruned to eliminate duplicates Z: 82 45.469 2.144 0.530 0.676 0.901 0.667 CB 1.453 82 residues pruned to eliminate duplicates Z: 56 38.107 2.076 0.489 0.717 0.945 0.691 CB 1.445 56 residues pruned to eliminate duplicates Z: 30 32.015 2.111 0.526 0.755 0.966 0.724 CB 1.523 30 residues pruned to eliminate duplicates Z: 105 59.939 2.194 0.577 0.629 0.952 0.644 CB 1.580 105 residues pruned to eliminate duplicates Z: 60 38.263 2.036 0.621 0.649 0.881 0.610 CB 1.490 60 residues pruned to eliminate duplicates Z: 81 48.858 2.158 0.567 0.699 0.900 0.562 CB 1.497 81 residues pruned to eliminate duplicates Z: 62 35.701 2.085 0.528 0.666 0.869 0.557 CB 1.416 62 residues pruned to eliminate duplicates Z: 107 50.926 2.185 0.493 0.614 0.877 0.547 CB 1.551 107 residues pruned to eliminate duplicates Z: 26 29.244 2.123 0.518 0.748 0.960 0.520 CB 1.515 26 residues pruned to eliminate duplicates Z: 26 27.802 2.067 0.507 0.768 0.920 0.560 CB 1.531 26 residues pruned to eliminate duplicates Z: 35 35.153 2.197 0.725 0.673 0.912 0.412 CB 1.488 35 residues pruned to eliminate duplicates Z: 32 32.695 2.148 0.663 0.707 0.935 0.613 CB 1.456 32 residues pruned to eliminate duplicates Z: 65 36.852 2.052 0.607 0.655 0.906 0.562 CB 1.335 65 residues pruned to eliminate duplicates Z: 79 49.737 2.173 0.581 0.697 0.923 0.551 CB 1.483 79 residues pruned to eliminate duplicates Z: 158 65.063 2.168 0.575 0.595 0.917 0.605 CB 1.514 158 residues pruned to eliminate duplicates Z: 58 36.418 2.039 0.687 0.672 0.842 0.509 CB 1.421 58 residues pruned to eliminate duplicates Z: 121 62.497 2.202 0.602 0.622 0.942 0.517 CB 1.531 121 residues pruned to eliminate duplicates Z: 105 56.099 2.191 0.581 0.639 0.894 0.538 CB 1.560 105 residues pruned to eliminate duplicates Z: 34 35.989 2.195 0.809 0.714 0.879 0.515 CB 1.480 34 residues pruned to eliminate duplicates Z: 140 66.387 2.186 0.580 0.617 0.935 0.568 CB 1.560 140 residues pruned to eliminate duplicates Z: 55 48.914 2.249 0.744 0.675 0.944 0.574 CB 1.530 55 residues pruned to eliminate duplicates Z: 101 57.175 2.219 0.594 0.601 0.940 0.540 CB 1.561 101 residues pruned to eliminate duplicates Z: 143 67.826 2.221 0.579 0.596 0.958 0.570 CB 1.546 143 residues pruned to eliminate duplicates Z: 53 44.064 2.250 0.672 0.682 0.904 0.615 CB 1.520 53 residues pruned to eliminate duplicates Z: 53 44.058 2.103 0.698 0.708 0.942 0.596 CB 1.503 53 residues pruned to eliminate duplicates Z: 76 52.455 2.178 0.654 0.688 0.933 0.600 CB 1.516 76 residues pruned to eliminate duplicates Z: 38 33.760 2.128 0.690 0.638 0.865 0.486 CB 1.568 38 residues pruned to eliminate duplicates Z: 84 58.621 2.237 0.688 0.599 0.952 0.482 CB 1.629 84 residues pruned to eliminate duplicates Z: 124 51.827 2.192 0.478 0.555 0.902 0.553 CB 1.516 124 residues pruned to eliminate duplicates Z: 194 72.952 2.188 0.597 0.563 0.959 0.617 CB 1.476 193 residues pruned to eliminate duplicates Z: 8 5.881 1.538 0.419 0.513 1.000 0.429 CB 1.005 8 residues pruned to eliminate duplicates Z: 114 57.705 2.181 0.576 0.626 0.903 0.558 CB 1.554 114 residues pruned to eliminate duplicates Z: 56 43.775 2.228 0.643 0.688 0.927 0.491 CB 1.463 56 residues pruned to eliminate duplicates Z: 77 45.152 2.160 0.570 0.670 0.882 0.553 CB 1.480 77 residues pruned to eliminate duplicates Z: 124 58.718 2.177 0.586 0.604 0.902 0.569 CB 1.539 124 residues pruned to eliminate duplicates Z: 59 46.169 2.263 0.559 0.596 0.983 0.500 CA 1.595 59 residues pruned to eliminate duplicates Z: 67 49.403 2.251 0.718 0.547 0.924 0.530 CB 1.626 67 residues pruned to eliminate duplicates Z: 67 46.031 2.265 0.569 0.561 0.924 0.515 CA 1.626 67 residues pruned to eliminate duplicates Z: 68 45.850 2.254 0.504 0.570 0.955 0.507 CA 1.616 68 residues pruned to eliminate duplicates Z: 23 26.571 2.243 0.629 0.594 0.909 0.500 CB 1.558 23 residues pruned to eliminate duplicates Z: 84 52.552 2.235 0.581 0.601 0.928 0.578 CB 1.598 84 residues pruned to eliminate duplicates Z: 224 77.826 2.182 0.538 0.618 0.924 0.592 CB 1.504 224 residues pruned to eliminate duplicates Z: 35 25.295 2.145 0.427 0.598 0.882 0.588 CA 1.462 35 residues pruned to eliminate duplicates Z: 22 25.628 2.325 0.514 0.701 0.905 0.476 CA 1.462 22 residues pruned to eliminate duplicates Z: 80 41.023 2.188 0.518 0.527 0.899 0.506 CB 1.506 80 residues pruned to eliminate duplicates Z: 26 25.218 2.260 0.478 0.626 0.920 0.600 CB 1.457 26 residues pruned to eliminate duplicates Z: 186 67.151 2.156 0.574 0.601 0.897 0.551 CB 1.474 186 residues pruned to eliminate duplicates Z: 47 33.393 2.284 0.543 0.527 0.891 0.457 CA 1.526 47 residues pruned to eliminate duplicates Z: 59 45.135 2.200 0.626 0.684 0.948 0.483 CB 1.475 59 residues pruned to eliminate duplicates Z: 108 55.868 2.227 0.589 0.566 0.925 0.542 CB 1.548 108 residues pruned to eliminate duplicates Z: 55 49.463 2.254 0.705 0.698 0.944 0.667 CB 1.547 55 residues pruned to eliminate duplicates Z: 41 36.304 2.278 0.591 0.559 0.950 0.575 CA 1.574 41 residues pruned to eliminate duplicates Z: 105 52.622 2.204 0.498 0.558 0.933 0.567 CA 1.584 105 residues pruned to eliminate duplicates Z: 143 62.944 2.221 0.510 0.592 0.937 0.535 CB 1.540 143 residues pruned to eliminate duplicates Z: 24 26.254 2.283 0.708 0.637 0.913 0.565 CA 1.353 24 residues pruned to eliminate duplicates Z: 23 29.997 2.324 0.601 0.701 1.000 0.500 CA 1.431 23 residues pruned to eliminate duplicates Z: 180 69.960 2.195 0.549 0.620 0.927 0.603 CB 1.480 180 residues pruned to eliminate duplicates Z: 123 60.317 2.182 0.581 0.608 0.918 0.590 CB 1.556 123 residues pruned to eliminate duplicates Z: 125 60.375 2.187 0.594 0.605 0.911 0.532 CB 1.545 130 residues pruned to eliminate duplicates Z: 12 11.828 1.960 0.666 0.602 0.818 0.636 CA 1.212 12 residues pruned to eliminate duplicates Z: 47 32.442 2.167 0.588 0.478 0.913 0.543 CB 1.557 47 residues pruned to eliminate duplicates Z: 119 58.097 2.234 0.542 0.558 0.941 0.619 CB 1.560 119 residues pruned to eliminate duplicates Z: 50 41.281 2.302 0.616 0.554 0.980 0.510 CA 1.536 50 residues pruned to eliminate duplicates Z: 135 53.709 2.152 0.525 0.533 0.888 0.537 CB 1.541 135 residues pruned to eliminate duplicates Z: 127 61.389 2.225 0.593 0.599 0.905 0.563 CB 1.552 127 residues pruned to eliminate duplicates Z: 96 46.165 2.161 0.537 0.540 0.905 0.589 CB 1.515 96 residues pruned to eliminate duplicates Z: 49 29.559 2.087 0.576 0.440 0.875 0.521 CB 1.577 49 residues pruned to eliminate duplicates Z: 69 42.223 2.224 0.483 0.554 0.941 0.544 CA 1.565 69 residues pruned to eliminate duplicates Z: 69 44.557 2.220 0.560 0.548 0.941 0.544 CB 1.582 69 residues pruned to eliminate duplicates Z: 118 53.768 2.208 0.546 0.545 0.906 0.598 CB 1.537 118 residues pruned to eliminate duplicates Z: 11 15.764 2.111 0.450 0.601 1.000 0.400 CA 1.480 11 residues pruned to eliminate duplicates Z: 138 57.055 2.187 0.535 0.566 0.912 0.562 CB 1.493 138 residues pruned to eliminate duplicates Z: 47 36.204 2.196 0.596 0.483 0.957 0.500 CB 1.620 47 residues pruned to eliminate duplicates Z: 94 55.946 2.218 0.651 0.584 0.935 0.559 CB 1.561 94 residues pruned to eliminate duplicates Z: 114 58.594 2.161 0.619 0.590 0.929 0.611 CB 1.556 114 residues pruned to eliminate duplicates Z: 105 57.611 2.211 0.626 0.561 0.942 0.635 CB 1.572 105 residues pruned to eliminate duplicates Z: 158 69.739 2.203 0.654 0.592 0.936 0.605 CB 1.495 158 residues pruned to eliminate duplicates Z: 124 61.866 2.179 0.652 0.610 0.919 0.602 CB 1.519 124 residues pruned to eliminate duplicates Z: 8 15.871 2.131 0.436 0.868 1.000 0.857 CB 1.434 8 residues pruned to eliminate duplicates Z: 49 33.407 2.101 0.572 0.616 0.958 0.688 CB 1.365 49 residues pruned to eliminate duplicates Z: 104 53.265 2.197 0.611 0.561 0.893 0.553 CB 1.565 104 residues pruned to eliminate duplicates Z: 91 54.139 2.217 0.694 0.549 0.911 0.611 CB 1.590 91 residues pruned to eliminate duplicates Z: 197 71.639 2.170 0.607 0.580 0.939 0.643 CB 1.447 197 residues pruned to eliminate duplicates Z: 48 36.927 2.139 0.710 0.593 0.915 0.660 CB 1.473 48 residues pruned to eliminate duplicates Z: 30 19.492 2.029 0.578 0.414 0.931 0.586 CB 1.329 30 residues pruned to eliminate duplicates Z: 22 16.594 2.098 0.484 0.463 0.952 0.524 CB 1.268 22 residues pruned to eliminate duplicates Z: 184 68.079 2.156 0.552 0.592 0.934 0.514 CB 1.474 184 residues pruned to eliminate duplicates Z: 30 21.023 2.089 0.532 0.522 0.828 0.517 CB 1.442 30 residues pruned to eliminate duplicates Z: 70 40.494 2.168 0.583 0.584 0.913 0.681 CB 1.435 70 residues pruned to eliminate duplicates Z: 67 47.687 2.259 0.610 0.552 0.955 0.636 CA 1.607 67 residues pruned to eliminate duplicates Z: 107 50.025 2.174 0.528 0.543 0.934 0.623 CB 1.502 107 residues pruned to eliminate duplicates Z: 61 39.448 2.203 0.549 0.566 0.950 0.633 CB 1.473 61 residues pruned to eliminate duplicates Z: 46 35.252 2.150 0.643 0.575 0.933 0.622 CB 1.483 46 residues pruned to eliminate duplicates Z: 121 57.821 2.211 0.597 0.562 0.925 0.658 CB 1.521 121 residues pruned to eliminate duplicates Z: 61 36.353 2.183 0.576 0.597 0.883 0.617 CB 1.408 61 residues pruned to eliminate duplicates Z: 46 35.582 2.178 0.490 0.637 0.978 0.667 CB 1.470 46 residues pruned to eliminate duplicates Z: 95 49.195 2.207 0.550 0.563 0.915 0.574 CB 1.526 95 residues pruned to eliminate duplicates Z: 77 40.172 2.148 0.466 0.600 0.934 0.632 CB 1.424 77 residues pruned to eliminate duplicates Z: 128 65.063 2.196 0.674 0.607 0.937 0.622 CB 1.513 128 residues pruned to eliminate duplicates Z: 119 54.049 2.199 0.574 0.559 0.890 0.593 CB 1.525 119 residues pruned to eliminate duplicates Z: 25 26.617 2.124 0.663 0.641 0.958 0.500 CB 1.407 25 residues pruned to eliminate duplicates Z: 121 48.725 2.135 0.483 0.573 0.942 0.625 CB 1.391 121 residues pruned to eliminate duplicates Z: 161 71.373 2.167 0.662 0.628 0.931 0.588 CB 1.492 161 residues pruned to eliminate duplicates Z: 27 36.529 2.198 0.694 0.749 1.000 0.808 CA 1.541 27 residues pruned to eliminate duplicates Z: 49 39.520 2.123 0.793 0.608 0.958 0.708 CB 1.411 49 residues pruned to eliminate duplicates Z: 141 68.667 2.210 0.681 0.619 0.921 0.543 CB 1.516 141 residues pruned to eliminate duplicates Z: 106 58.594 2.216 0.661 0.573 0.933 0.600 CB 1.551 106 residues pruned to eliminate duplicates Z: 110 56.907 2.225 0.618 0.574 0.936 0.624 CB 1.507 110 residues pruned to eliminate duplicates Z: 62 41.310 2.168 0.607 0.616 0.951 0.639 CB 1.431 62 residues pruned to eliminate duplicates Z: 121 59.300 2.219 0.574 0.588 0.942 0.575 CB 1.513 121 residues pruned to eliminate duplicates Z: 128 67.339 2.215 0.639 0.615 0.945 0.606 CB 1.563 128 residues pruned to eliminate duplicates Z: 91 56.449 2.226 0.673 0.577 0.956 0.622 CA 1.552 91 residues pruned to eliminate duplicates Z: 127 70.581 2.210 0.689 0.621 0.960 0.619 CB 1.565 127 residues pruned to eliminate duplicates Z: 86 49.919 2.206 0.598 0.575 0.929 0.635 CB 1.537 86 residues pruned to eliminate duplicates Z: 79 39.780 2.108 0.541 0.597 0.923 0.667 CB 1.369 79 residues pruned to eliminate duplicates Z: 167 73.269 2.190 0.658 0.623 0.922 0.602 CB 1.513 167 residues pruned to eliminate duplicates Z: 144 66.673 2.209 0.658 0.596 0.923 0.608 CB 1.505 144 residues pruned to eliminate duplicates Z: 103 49.963 2.149 0.571 0.549 0.931 0.627 CB 1.500 103 residues pruned to eliminate duplicates Z: 120 56.234 2.213 0.599 0.553 0.916 0.630 CB 1.510 120 residues pruned to eliminate duplicates Z: 88 48.190 2.211 0.605 0.560 0.920 0.667 CB 1.494 88 residues pruned to eliminate duplicates Z: 60 41.997 2.194 0.617 0.611 0.932 0.695 CB 1.488 60 residues pruned to eliminate duplicates Z: 122 54.687 2.193 0.553 0.550 0.909 0.628 CB 1.530 122 residues pruned to eliminate duplicates Z: 82 40.475 2.114 0.515 0.572 0.938 0.617 CB 1.397 82 residues pruned to eliminate duplicates Z: 42 35.106 2.172 0.663 0.638 0.927 0.634 CB 1.439 42 residues pruned to eliminate duplicates Z: 129 62.304 2.212 0.624 0.564 0.961 0.594 CB 1.500 129 residues pruned to eliminate duplicates Z: 43 29.319 2.202 0.492 0.610 0.881 0.524 CB 1.408 43 residues pruned to eliminate duplicates Z: 66 39.750 2.159 0.582 0.572 0.938 0.723 CB 1.435 66 residues pruned to eliminate duplicates Z: 87 37.741 2.080 0.522 0.534 0.907 0.547 CB 1.371 87 residues pruned to eliminate duplicates Z: 189 71.502 2.169 0.629 0.580 0.926 0.617 CB 1.476 189 residues pruned to eliminate duplicates Z: 185 70.912 2.167 0.580 0.603 0.918 0.565 CB 1.508 185 residues pruned to eliminate duplicates Z: 72 37.867 2.139 0.543 0.563 0.915 0.662 CB 1.399 72 residues pruned to eliminate duplicates Z: 45 34.895 2.164 0.664 0.611 0.932 0.455 CB 1.411 45 residues pruned to eliminate duplicates Z: 80 44.367 2.126 0.595 0.594 0.975 0.595 CB 1.380 80 residues pruned to eliminate duplicates Z: 136 65.751 2.199 0.645 0.580 0.956 0.578 CB 1.516 136 residues pruned to eliminate duplicates Z: 103 48.296 2.156 0.463 0.558 0.971 0.569 CB 1.477 103 residues pruned to eliminate duplicates Z: 38 17.197 1.967 0.382 0.450 0.838 0.541 CB 1.306 38 residues pruned to eliminate duplicates Z: 135 62.374 2.211 0.574 0.580 0.948 0.634 CB 1.513 135 residues pruned to eliminate duplicates Z: 72 39.878 2.147 0.640 0.567 0.930 0.648 CB 1.355 72 residues pruned to eliminate duplicates Z: 21 14.585 2.023 0.269 0.611 0.850 0.750 CB 1.346 21 residues pruned to eliminate duplicates Z: 159 68.809 2.197 0.649 0.572 0.962 0.627 CB 1.466 159 residues pruned to eliminate duplicates Z: 29 21.005 2.145 0.453 0.512 1.000 0.571 CB 1.258 29 residues pruned to eliminate duplicates Z: 183 68.948 2.175 0.532 0.601 0.945 0.555 CB 1.474 184 residues pruned to eliminate duplicates Z: 12 12.484 2.006 0.429 0.593 0.909 0.818 CB 1.321 12 residues pruned to eliminate duplicates Z: 135 58.207 2.163 0.646 0.562 0.940 0.657 CB 1.414 135 residues pruned to eliminate duplicates Z: 184 68.433 2.152 0.586 0.606 0.929 0.574 CB 1.443 184 residues pruned to eliminate duplicates Z: 225 81.576 2.188 0.574 0.613 0.946 0.629 CB 1.502 225 residues pruned to eliminate duplicates Z: 119 52.010 2.167 0.506 0.580 0.949 0.686 CB 1.432 119 residues pruned to eliminate duplicates Z: 108 51.258 2.169 0.552 0.600 0.944 0.645 CB 1.418 106 residues pruned to eliminate duplicates Z: 9 18.967 2.073 0.714 0.846 1.000 1.000 CB 1.402 9 residues pruned to eliminate duplicates Z: 186 72.704 2.160 0.617 0.611 0.946 0.546 CB 1.456 186 residues pruned to eliminate duplicates Z: 51 33.516 2.115 0.579 0.551 0.960 0.640 CB 1.406 51 residues pruned to eliminate duplicates Z: 118 57.277 2.145 0.661 0.600 0.940 0.632 CB 1.437 118 residues pruned to eliminate duplicates Z: 91 49.171 2.161 0.621 0.631 0.933 0.622 CB 1.403 91 residues pruned to eliminate duplicates Z: 56 35.933 2.157 0.605 0.612 0.873 0.636 CB 1.441 56 residues pruned to eliminate duplicates Z: 238 79.255 2.169 0.644 0.601 0.886 0.608 CB 1.479 238 residues pruned to eliminate duplicates Z: 59 38.659 2.134 0.587 0.579 0.931 0.672 CB 1.491 58 residues pruned to eliminate duplicates Z: 6 5.882 1.694 0.788 0.379 1.000 0.600 CA 0.988 6 residues pruned to eliminate duplicates Z: 61 40.324 2.183 0.590 0.626 0.883 0.650 CB 1.508 61 residues pruned to eliminate duplicates Z: 13 17.318 2.220 1.163 0.538 0.917 0.667 CB 1.094 13 residues pruned to eliminate duplicates Z: 47 35.737 2.151 0.579 0.615 0.978 0.696 CB 1.422 47 residues pruned to eliminate duplicates Z: 46 31.113 2.124 0.601 0.538 0.956 0.600 CB 1.376 46 residues pruned to eliminate duplicates Z: 45 31.954 2.141 0.538 0.552 1.000 0.682 CB 1.391 45 residues pruned to eliminate duplicates Z: 47 33.231 2.163 0.514 0.595 0.957 0.630 CB 1.429 47 residues pruned to eliminate duplicates Z: 48 34.391 2.124 0.644 0.585 0.936 0.660 CB 1.415 48 residues pruned to eliminate duplicates Z: 44 34.634 2.194 0.608 0.615 0.930 0.628 CB 1.444 44 residues pruned to eliminate duplicates Z: 44 32.050 2.146 0.469 0.602 0.977 0.674 CB 1.440 44 residues pruned to eliminate duplicates Z: 37 35.585 2.150 0.752 0.620 1.000 0.611 CB 1.406 37 residues pruned to eliminate duplicates Z: 46 36.581 2.199 0.511 0.641 1.000 0.689 CB 1.439 46 residues pruned to eliminate duplicates Z: 47 33.373 2.146 0.471 0.622 0.978 0.652 CB 1.420 47 residues pruned to eliminate duplicates Z: 44 33.204 2.153 0.552 0.610 0.953 0.674 CB 1.432 44 residues pruned to eliminate duplicates Z: 60 35.650 2.090 0.580 0.548 0.898 0.695 CB 1.493 60 residues pruned to eliminate duplicates Z: 39 34.503 2.183 0.663 0.615 0.974 0.632 CB 1.419 39 residues pruned to eliminate duplicates Z: 43 38.860 2.228 0.638 0.662 0.929 0.786 CB 1.523 43 residues pruned to eliminate duplicates Z: 46 35.194 2.162 0.598 0.605 0.956 0.667 CB 1.439 46 residues pruned to eliminate duplicates Z: 47 39.375 2.176 0.555 0.643 0.978 0.652 CA 1.534 48 residues pruned to eliminate duplicates Z: 13 24.146 2.281 0.492 0.872 1.000 0.833 CA 1.492 13 residues pruned to eliminate duplicates Z: 39 31.338 2.143 0.677 0.638 0.921 0.684 CB 1.349 39 residues pruned to eliminate duplicates Z: 28 18.433 1.950 0.472 0.553 0.889 0.593 CA 1.320 28 residues pruned to eliminate duplicates Z: 44 37.312 2.169 0.668 0.582 0.977 0.698 CB 1.487 44 residues pruned to eliminate duplicates Z: 47 34.510 2.150 0.665 0.594 0.891 0.565 CB 1.457 47 residues pruned to eliminate duplicates Z: 16 13.543 2.128 0.525 0.460 0.733 0.400 CB 1.530 16 residues pruned to eliminate duplicates Z: 62 40.827 2.158 0.644 0.597 0.918 0.689 CB 1.464 62 residues pruned to eliminate duplicates Z: 57 32.060 2.100 0.558 0.463 0.929 0.625 CB 1.465 57 residues pruned to eliminate duplicates Z: 46 29.745 2.056 0.646 0.535 0.889 0.556 CB 1.424 46 residues pruned to eliminate duplicates Z: 44 31.994 2.150 0.494 0.591 0.977 0.558 CB 1.425 44 residues pruned to eliminate duplicates Z: 45 34.822 2.181 0.586 0.608 0.955 0.568 CB 1.436 45 residues pruned to eliminate duplicates Z: 34 24.784 2.160 0.479 0.557 0.879 0.576 CB 1.454 34 residues pruned to eliminate duplicates Z: 47 33.787 2.179 0.527 0.610 0.935 0.609 CB 1.442 47 residues pruned to eliminate duplicates Z: 43 36.452 2.212 0.545 0.632 0.976 0.714 CB 1.490 43 residues pruned to eliminate duplicates Z: 18 18.216 2.159 0.485 0.638 0.882 0.529 CB 1.373 18 residues pruned to eliminate duplicates Z: 47 36.095 2.157 0.630 0.599 0.957 0.587 CB 1.440 47 residues pruned to eliminate duplicates Z: 50 35.458 2.116 0.552 0.613 0.959 0.571 CA 1.444 50 residues pruned to eliminate duplicates Z: 48 42.598 2.200 0.680 0.653 0.936 0.638 CA 1.557 48 residues pruned to eliminate duplicates Z: 60 33.001 2.077 0.647 0.536 0.898 0.542 CB 1.350 60 residues pruned to eliminate duplicates Z: 25 25.951 2.208 0.627 0.579 0.875 0.625 CB 1.562 25 residues pruned to eliminate duplicates Z: 61 41.478 2.177 0.615 0.618 0.933 0.583 CB 1.460 61 residues pruned to eliminate duplicates Z: 26 29.039 2.171 0.625 0.617 1.000 0.720 CA 1.473 26 residues pruned to eliminate duplicates Z: 61 43.619 2.185 0.658 0.618 0.967 0.583 CB 1.438 61 residues pruned to eliminate duplicates Z: 14 17.179 2.175 0.460 0.665 1.000 0.692 CB 1.288 14 residues pruned to eliminate duplicates Z: 26 29.383 2.172 0.699 0.579 0.960 0.680 CB 1.537 26 residues pruned to eliminate duplicates Z: 58 46.117 2.181 0.652 0.632 0.982 0.649 CB 1.524 58 residues pruned to eliminate duplicates Z: 62 43.582 2.156 0.616 0.619 0.967 0.607 CB 1.479 62 residues pruned to eliminate duplicates Z: 62 41.231 2.162 0.645 0.599 0.934 0.590 CB 1.446 62 residues pruned to eliminate duplicates Z: 41 34.901 2.213 0.667 0.587 0.875 0.600 CA 1.572 41 residues pruned to eliminate duplicates Z: 34 26.860 2.129 0.605 0.587 0.879 0.606 CB 1.433 34 residues pruned to eliminate duplicates Z: 62 44.985 2.172 0.716 0.581 0.984 0.590 CB 1.453 61 residues pruned to eliminate duplicates Z: 9 29.157 2.318 0.928 0.886 1.000 0.875 CA 1.664 11 residues pruned to eliminate duplicates Z: 10 21.079 1.991 0.881 0.763 0.889 0.444 CB 1.671 10 residues pruned to eliminate duplicates Z: 62 46.417 2.175 0.654 0.614 0.967 0.672 CB 1.533 62 residues pruned to eliminate duplicates Z: 63 44.773 2.142 0.741 0.614 0.952 0.597 CB 1.438 63 residues pruned to eliminate duplicates Z: 37 28.329 2.133 0.570 0.516 0.917 0.611 CB 1.514 37 residues pruned to eliminate duplicates Z: 72 44.306 2.142 0.672 0.561 0.958 0.676 CB 1.444 94 residues pruned to eliminate duplicates Z: 6 3.426 1.570 0.612 0.402 1.000 0.400 CB 0.671 6 residues pruned to eliminate duplicates Z: 34 18.376 1.878 0.474 0.491 1.000 0.606 CB 1.166 34 residues pruned to eliminate duplicates Z: 24 12.627 1.845 0.636 0.394 0.870 0.304 CB 1.122 21 residues pruned to eliminate duplicates Z: 7 5.759 1.670 0.626 0.508 0.833 0.333 CB 1.030 10 residues pruned to eliminate duplicates Z: 7 6.515 1.709 0.577 0.482 1.000 0.167 CB 1.005 7 residues pruned to eliminate duplicates Z: 25 17.871 1.923 0.679 0.411 1.000 0.583 CB 1.240 25 residues pruned to eliminate duplicates Z: 28 14.042 1.756 0.795 0.399 0.926 0.556 CB 1.030 21 residues pruned to eliminate duplicates Z: 12 9.737 1.745 0.411 0.695 0.818 0.182 CB 1.220 Z: 11 11.427 1.846 0.382 0.723 1.000 0.300 CB 1.158 11 residues pruned to eliminate duplicates Z: 22 23.845 2.050 0.681 0.703 0.905 0.667 CB 1.388 11 residues pruned to eliminate duplicates Z: 11 13.266 1.946 0.355 0.818 0.900 0.600 CB 1.341 12 residues pruned to eliminate duplicates Z: 11 10.907 1.903 0.383 0.805 0.800 0.300 CB 1.255 11 residues pruned to eliminate duplicates Z: 77 46.556 2.189 0.559 0.648 0.895 0.658 CB 1.523 77 residues pruned to eliminate duplicates Z: 11 13.378 1.943 0.410 0.827 0.900 0.500 CB 1.293 11 residues pruned to eliminate duplicates Z: 20 18.323 2.007 0.542 0.643 0.842 0.474 CB 1.412 19 residues pruned to eliminate duplicates Z: 10 12.977 1.952 0.424 0.802 0.889 0.444 CB 1.344 11 residues pruned to eliminate duplicates Z: 13 11.366 1.723 0.520 0.695 0.917 0.500 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 12.095 1.980 0.372 0.658 0.818 0.455 CB 1.416 12 residues pruned to eliminate duplicates Z: 23 23.144 2.037 0.566 0.662 0.864 0.636 CB 1.541 24 residues pruned to eliminate duplicates Z: 13 12.097 1.763 0.603 0.583 0.833 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 14 17.143 1.906 0.575 0.673 1.000 0.769 CA 1.350 14 residues pruned to eliminate duplicates Z: 22 18.507 2.006 0.457 0.669 0.810 0.714 CA 1.461 23 residues pruned to eliminate duplicates Z: 6 2.912 1.554 0.786 0.322 0.800 0.600 CA 0.713 6 residues pruned to eliminate duplicates Z: 22 18.781 2.030 0.441 0.647 0.810 0.524 CB 1.508 22 residues pruned to eliminate duplicates Z: 25 24.418 1.957 0.634 0.694 0.875 0.625 CB 1.492 24 residues pruned to eliminate duplicates Z: 22 31.030 2.218 0.616 0.839 0.905 0.714 CB 1.559 22 residues pruned to eliminate duplicates Z: 102 54.695 2.238 0.486 0.588 0.950 0.584 CB 1.582 102 residues pruned to eliminate duplicates Z: 100 62.924 2.240 0.661 0.589 0.970 0.556 CB 1.611 100 residues pruned to eliminate duplicates Z: 99 52.750 2.217 0.487 0.595 0.939 0.541 CB 1.572 99 residues pruned to eliminate duplicates Z: 35 36.900 2.226 0.748 0.681 0.941 0.588 CB 1.463 35 residues pruned to eliminate duplicates Z: 35 36.607 2.259 0.656 0.696 0.941 0.559 CB 1.491 35 residues pruned to eliminate duplicates Z: 36 31.638 2.223 0.703 0.656 0.886 0.543 CB 1.380 36 residues pruned to eliminate duplicates Z: 35 30.990 2.132 0.557 0.668 0.941 0.559 CB 1.457 35 residues pruned to eliminate duplicates Z: 57 45.922 2.239 0.603 0.689 0.964 0.589 CB 1.491 57 residues pruned to eliminate duplicates Z: 158 66.107 2.211 0.559 0.603 0.917 0.573 CB 1.513 158 residues pruned to eliminate duplicates Z: 142 63.986 2.223 0.580 0.594 0.915 0.567 CB 1.533 142 residues pruned to eliminate duplicates Z: 25 33.615 2.194 0.843 0.786 0.917 0.500 CB 1.440 25 residues pruned to eliminate duplicates Z: 35 34.901 2.237 0.748 0.681 0.882 0.500 CB 1.469 35 residues pruned to eliminate duplicates Z: 141 61.584 2.210 0.537 0.601 0.921 0.550 CB 1.511 141 residues pruned to eliminate duplicates Z: 37 30.668 2.163 0.759 0.639 0.889 0.500 CB 1.326 37 residues pruned to eliminate duplicates Z: 37 35.915 2.244 0.733 0.704 0.944 0.528 CB 1.354 37 residues pruned to eliminate duplicates Z: 35 40.053 2.225 0.904 0.688 0.941 0.529 CB 1.450 35 residues pruned to eliminate duplicates Z: 30 34.608 2.201 0.793 0.712 0.931 0.448 CB 1.443 30 residues pruned to eliminate duplicates Z: 34 36.038 2.233 0.848 0.702 0.879 0.545 CB 1.440 34 residues pruned to eliminate duplicates Z: 55 44.045 2.256 0.604 0.661 0.944 0.444 CB 1.510 55 residues pruned to eliminate duplicates Z: 33 36.986 2.202 0.840 0.703 0.906 0.562 CB 1.480 33 residues pruned to eliminate duplicates Z: 100 58.155 2.223 0.634 0.588 0.939 0.515 CB 1.575 100 residues pruned to eliminate duplicates Z: 196 70.681 2.191 0.593 0.578 0.897 0.600 CB 1.498 196 residues pruned to eliminate duplicates Z: 142 64.493 2.220 0.556 0.600 0.936 0.560 CB 1.527 142 residues pruned to eliminate duplicates Z: 165 64.908 2.178 0.578 0.600 0.890 0.555 CB 1.507 161 residues pruned to eliminate duplicates Z: 16 16.087 2.089 0.430 0.683 0.867 0.600 CB 1.357 16 residues pruned to eliminate duplicates Z: 15 14.613 2.193 0.440 0.634 0.857 0.786 CB 1.273 15 residues pruned to eliminate duplicates Z: 99 54.585 2.240 0.488 0.599 0.949 0.582 CB 1.587 99 residues pruned to eliminate duplicates Z: 27 18.270 2.154 0.253 0.521 0.923 0.577 CA 1.409 27 residues pruned to eliminate duplicates Z: 135 55.719 2.197 0.516 0.554 0.896 0.597 CB 1.532 135 residues pruned to eliminate duplicates Z: 142 62.517 2.220 0.556 0.587 0.915 0.567 CB 1.532 142 residues pruned to eliminate duplicates Z: 126 67.421 2.239 0.641 0.613 0.952 0.608 CB 1.549 126 residues pruned to eliminate duplicates Z: 127 65.363 2.231 0.578 0.602 0.944 0.579 CB 1.589 127 residues pruned to eliminate duplicates Z: 104 52.536 2.233 0.435 0.583 0.942 0.592 CB 1.583 104 residues pruned to eliminate duplicates Z: 56 40.789 2.245 0.530 0.660 0.909 0.509 CB 1.519 56 residues pruned to eliminate duplicates Z: 68 43.929 2.232 0.496 0.564 0.925 0.567 CB 1.632 68 residues pruned to eliminate duplicates Z: 92 48.847 2.230 0.499 0.544 0.934 0.560 CB 1.571 92 residues pruned to eliminate duplicates Z: 24 26.890 2.227 0.580 0.587 1.000 0.478 CA 1.466 24 residues pruned to eliminate duplicates Z: 119 55.484 2.231 0.514 0.565 0.924 0.568 CB 1.536 119 residues pruned to eliminate duplicates Z: 104 53.913 2.206 0.548 0.536 0.951 0.534 CB 1.578 104 residues pruned to eliminate duplicates Z: 28 34.369 2.324 0.649 0.630 1.000 0.593 CA 1.527 28 residues pruned to eliminate duplicates Z: 93 55.710 2.224 0.588 0.574 0.946 0.587 CA 1.619 93 residues pruned to eliminate duplicates Z: 103 58.444 2.233 0.615 0.583 0.922 0.529 CB 1.609 103 residues pruned to eliminate duplicates Z: 117 45.890 2.122 0.501 0.519 0.888 0.552 CB 1.479 117 residues pruned to eliminate duplicates Z: 27 28.620 2.305 0.522 0.588 1.000 0.500 CA 1.471 27 residues pruned to eliminate duplicates Z: 25 28.425 2.267 0.726 0.596 1.000 0.542 CA 1.353 25 residues pruned to eliminate duplicates Z: 92 56.628 2.228 0.592 0.572 0.967 0.626 CB 1.614 92 residues pruned to eliminate duplicates Z: 109 57.228 2.245 0.571 0.580 0.926 0.602 CB 1.562 109 residues pruned to eliminate duplicates Z: 101 57.334 2.232 0.591 0.590 0.930 0.540 CB 1.592 101 residues pruned to eliminate duplicates Z: 110 55.678 2.225 0.544 0.559 0.945 0.596 CB 1.550 110 residues pruned to eliminate duplicates Z: 119 54.839 2.210 0.498 0.555 0.941 0.568 CB 1.537 119 residues pruned to eliminate duplicates Z: 57 39.959 2.231 0.537 0.552 0.911 0.571 CA 1.625 57 residues pruned to eliminate duplicates Z: 106 54.003 2.205 0.591 0.557 0.914 0.629 CB 1.555 106 residues pruned to eliminate duplicates Z: 126 64.551 2.235 0.635 0.603 0.920 0.584 CB 1.557 126 residues pruned to eliminate duplicates Z: 96 53.795 2.222 0.555 0.556 0.958 0.621 CB 1.580 96 residues pruned to eliminate duplicates Z: 79 44.289 2.211 0.611 0.499 0.872 0.538 CA 1.616 79 residues pruned to eliminate duplicates Z: 49 35.501 2.236 0.590 0.502 0.958 0.583 CA 1.500 49 residues pruned to eliminate duplicates Z: 46 32.602 2.245 0.442 0.532 0.956 0.578 CA 1.522 46 residues pruned to eliminate duplicates Z: 47 34.311 2.174 0.608 0.480 0.913 0.609 CB 1.617 47 residues pruned to eliminate duplicates Z: 67 44.756 2.260 0.544 0.555 0.939 0.545 CB 1.593 67 residues pruned to eliminate duplicates Z: 107 50.339 2.210 0.477 0.548 0.934 0.585 CB 1.530 107 residues pruned to eliminate duplicates Z: 134 66.450 2.228 0.568 0.605 0.955 0.609 CB 1.563 134 residues pruned to eliminate duplicates Z: 121 52.879 2.196 0.553 0.568 0.900 0.625 CB 1.472 121 residues pruned to eliminate duplicates Z: 124 54.348 2.187 0.515 0.548 0.943 0.561 CB 1.497 124 residues pruned to eliminate duplicates Z: 60 37.890 2.253 0.495 0.528 0.915 0.458 CA 1.556 60 residues pruned to eliminate duplicates Z: 71 43.891 2.115 0.640 0.555 0.929 0.543 CB 1.544 71 residues pruned to eliminate duplicates Z: 93 53.412 2.222 0.678 0.559 0.913 0.587 CB 1.545 93 residues pruned to eliminate duplicates Z: 82 43.904 2.203 0.553 0.527 0.877 0.556 CB 1.584 82 residues pruned to eliminate duplicates Z: 102 42.586 2.135 0.489 0.528 0.861 0.594 CB 1.505 102 residues pruned to eliminate duplicates Z: 108 57.581 2.216 0.623 0.566 0.944 0.664 CB 1.538 108 residues pruned to eliminate duplicates Z: 49 37.968 2.257 0.661 0.530 0.938 0.646 CA 1.514 49 residues pruned to eliminate duplicates Z: 109 58.708 2.241 0.588 0.570 0.954 0.574 CB 1.555 109 residues pruned to eliminate duplicates Z: 92 60.471 2.225 0.734 0.580 0.956 0.637 CA 1.592 92 residues pruned to eliminate duplicates Z: 92 49.908 2.205 0.546 0.561 0.912 0.549 CA 1.587 92 residues pruned to eliminate duplicates Z: 127 65.650 2.210 0.652 0.598 0.944 0.587 CB 1.545 127 residues pruned to eliminate duplicates Z: 65 46.911 2.264 0.588 0.541 0.953 0.719 CA 1.644 65 residues pruned to eliminate duplicates Z: 109 55.582 2.230 0.529 0.576 0.935 0.667 CB 1.560 109 residues pruned to eliminate duplicates Z: 54 39.054 2.189 0.588 0.460 0.981 0.660 CB 1.638 54 residues pruned to eliminate duplicates Z: 63 32.366 2.154 0.443 0.560 0.919 0.677 CB 1.357 63 residues pruned to eliminate duplicates Z: 45 34.888 2.214 0.537 0.477 0.955 0.523 CB 1.657 45 residues pruned to eliminate duplicates Z: 108 57.339 2.241 0.582 0.559 0.953 0.589 CB 1.549 108 residues pruned to eliminate duplicates Z: 74 42.324 2.189 0.558 0.527 0.904 0.644 CB 1.564 74 residues pruned to eliminate duplicates Z: 141 58.600 2.200 0.544 0.589 0.907 0.571 CB 1.476 141 residues pruned to eliminate duplicates Z: 99 60.555 2.256 0.678 0.597 0.918 0.541 CB 1.604 99 residues pruned to eliminate duplicates Z: 62 37.157 2.185 0.549 0.580 0.934 0.656 CB 1.393 62 residues pruned to eliminate duplicates Z: 128 64.564 2.236 0.607 0.596 0.921 0.567 CB 1.579 128 residues pruned to eliminate duplicates Z: 68 47.877 2.256 0.609 0.553 0.955 0.597 CA 1.603 68 residues pruned to eliminate duplicates Z: 95 54.785 2.212 0.611 0.566 0.968 0.628 CB 1.537 95 residues pruned to eliminate duplicates Z: 94 57.563 2.242 0.573 0.595 0.978 0.581 CB 1.579 94 residues pruned to eliminate duplicates Z: 142 61.344 2.218 0.548 0.591 0.929 0.589 CB 1.485 142 residues pruned to eliminate duplicates Z: 84 45.817 2.159 0.573 0.529 0.916 0.554 CA 1.572 84 residues pruned to eliminate duplicates Z: 99 40.570 2.118 0.518 0.526 0.908 0.592 CB 1.368 99 residues pruned to eliminate duplicates Z: 141 66.293 2.229 0.629 0.604 0.914 0.600 CB 1.529 141 residues pruned to eliminate duplicates Z: 62 38.009 2.195 0.552 0.571 0.918 0.623 CB 1.453 62 residues pruned to eliminate duplicates Z: 46 32.167 2.135 0.539 0.612 0.933 0.689 CB 1.406 46 residues pruned to eliminate duplicates Z: 119 55.662 2.218 0.530 0.571 0.924 0.627 CB 1.527 119 residues pruned to eliminate duplicates Z: 74 44.679 2.184 0.644 0.558 0.890 0.658 CB 1.546 74 residues pruned to eliminate duplicates Z: 143 64.445 2.207 0.635 0.607 0.923 0.570 CB 1.467 143 residues pruned to eliminate duplicates Z: 96 53.849 2.219 0.633 0.582 0.916 0.642 CB 1.539 96 residues pruned to eliminate duplicates Z: 125 60.149 2.214 0.583 0.582 0.952 0.621 CB 1.496 125 residues pruned to eliminate duplicates Z: 120 52.355 2.202 0.518 0.551 0.908 0.555 CB 1.506 120 residues pruned to eliminate duplicates Z: 107 52.403 2.192 0.576 0.549 0.925 0.585 CB 1.519 107 residues pruned to eliminate duplicates Z: 25 25.367 2.119 0.674 0.631 0.875 0.625 CB 1.475 25 residues pruned to eliminate duplicates Z: 108 50.114 2.203 0.561 0.558 0.897 0.523 CB 1.484 108 residues pruned to eliminate duplicates Z: 169 63.199 2.169 0.533 0.551 0.952 0.619 CB 1.464 169 residues pruned to eliminate duplicates Z: 62 34.457 2.152 0.475 0.583 0.934 0.639 CB 1.374 62 residues pruned to eliminate duplicates Z: 27 20.426 2.064 0.523 0.595 0.846 0.615 CB 1.375 27 residues pruned to eliminate duplicates Z: 20 21.106 1.992 0.559 0.775 0.947 0.789 CB 1.291 20 residues pruned to eliminate duplicates Z: 93 55.654 2.211 0.632 0.586 0.957 0.620 CB 1.549 93 residues pruned to eliminate duplicates Z: 19 21.416 2.057 0.789 0.724 0.833 0.722 CB 1.345 19 residues pruned to eliminate duplicates Z: 107 51.307 2.202 0.612 0.552 0.896 0.585 CB 1.489 107 residues pruned to eliminate duplicates Z: 142 62.964 2.231 0.567 0.596 0.908 0.582 CB 1.525 142 residues pruned to eliminate duplicates Z: 33 25.583 2.163 0.532 0.643 0.938 0.688 CB 1.274 33 residues pruned to eliminate duplicates Z: 106 56.106 2.236 0.637 0.575 0.924 0.629 CB 1.506 106 residues pruned to eliminate duplicates Z: 127 67.234 2.229 0.660 0.615 0.937 0.603 CB 1.551 127 residues pruned to eliminate duplicates Z: 105 60.096 2.229 0.684 0.566 0.952 0.587 CB 1.548 105 residues pruned to eliminate duplicates Z: 109 57.932 2.236 0.648 0.569 0.935 0.630 CB 1.513 109 residues pruned to eliminate duplicates Z: 109 58.284 2.243 0.644 0.577 0.926 0.611 CB 1.526 109 residues pruned to eliminate duplicates Z: 62 38.206 2.178 0.628 0.596 0.902 0.672 CB 1.396 62 residues pruned to eliminate duplicates Z: 111 54.737 2.227 0.632 0.577 0.900 0.582 CB 1.482 111 residues pruned to eliminate duplicates Z: 27 23.144 2.076 0.690 0.629 0.923 0.577 CB 1.241 27 residues pruned to eliminate duplicates Z: 105 55.752 2.221 0.582 0.582 0.933 0.567 CB 1.542 105 residues pruned to eliminate duplicates Z: 15 10.990 2.176 0.282 0.530 0.857 0.643 CB 1.192 15 residues pruned to eliminate duplicates Z: 43 36.027 2.206 0.627 0.654 0.952 0.714 CB 1.410 43 residues pruned to eliminate duplicates Z: 33 22.159 2.129 0.414 0.637 0.844 0.469 CB 1.356 33 residues pruned to eliminate duplicates Z: 139 52.050 2.130 0.522 0.527 0.928 0.572 CB 1.435 139 residues pruned to eliminate duplicates Z: 48 28.631 2.131 0.498 0.574 0.894 0.617 CB 1.364 48 residues pruned to eliminate duplicates Z: 89 50.460 2.185 0.626 0.566 0.955 0.648 CB 1.488 89 residues pruned to eliminate duplicates Z: 60 37.966 2.199 0.591 0.586 0.864 0.661 CB 1.506 60 residues pruned to eliminate duplicates Z: 142 64.725 2.214 0.627 0.591 0.922 0.589 CB 1.505 142 residues pruned to eliminate duplicates Z: 89 42.010 2.196 0.505 0.529 0.886 0.636 CB 1.485 89 residues pruned to eliminate duplicates Z: 60 33.109 2.137 0.617 0.525 0.881 0.593 CB 1.381 60 residues pruned to eliminate duplicates Z: 107 57.164 2.226 0.656 0.564 0.906 0.575 CB 1.564 107 residues pruned to eliminate duplicates Z: 102 42.868 2.132 0.478 0.546 0.911 0.525 CB 1.421 102 residues pruned to eliminate duplicates Z: 121 57.113 2.229 0.558 0.560 0.933 0.583 CB 1.518 121 residues pruned to eliminate duplicates Z: 217 75.017 2.183 0.594 0.584 0.926 0.574 CB 1.462 217 residues pruned to eliminate duplicates Z: 63 35.540 2.175 0.534 0.593 0.903 0.645 CB 1.370 63 residues pruned to eliminate duplicates Z: 126 58.721 2.209 0.571 0.578 0.928 0.624 CB 1.513 126 residues pruned to eliminate duplicates Z: 89 39.275 2.115 0.512 0.528 0.909 0.557 CB 1.401 89 residues pruned to eliminate duplicates Z: 39 18.288 1.984 0.393 0.506 0.895 0.474 CB 1.192 39 residues pruned to eliminate duplicates Z: 136 53.536 2.189 0.518 0.565 0.881 0.578 CB 1.477 136 residues pruned to eliminate duplicates Z: 162 58.031 2.144 0.520 0.557 0.925 0.609 CB 1.435 162 residues pruned to eliminate duplicates Z: 118 54.719 2.222 0.544 0.567 0.923 0.650 CB 1.497 118 residues pruned to eliminate duplicates Z: 59 33.368 2.122 0.655 0.603 0.879 0.638 CB 1.287 59 residues pruned to eliminate duplicates Z: 138 61.063 2.187 0.586 0.556 0.956 0.679 CB 1.490 138 residues pruned to eliminate duplicates Z: 123 58.979 2.189 0.621 0.586 0.934 0.656 CB 1.482 123 residues pruned to eliminate duplicates Z: 173 68.343 2.188 0.607 0.559 0.959 0.616 CB 1.458 173 residues pruned to eliminate duplicates Z: 88 45.964 2.151 0.589 0.581 0.954 0.655 CB 1.399 88 residues pruned to eliminate duplicates Z: 109 45.999 2.116 0.593 0.541 0.917 0.574 CB 1.375 109 residues pruned to eliminate duplicates Z: 75 36.361 2.123 0.505 0.539 0.946 0.608 CB 1.346 75 residues pruned to eliminate duplicates Z: 48 27.423 2.075 0.598 0.588 0.894 0.489 CB 1.241 48 residues pruned to eliminate duplicates Z: 129 57.043 2.190 0.584 0.552 0.938 0.523 CB 1.475 129 residues pruned to eliminate duplicates Z: 37 17.946 2.072 0.404 0.525 0.861 0.528 CB 1.165 37 residues pruned to eliminate duplicates Z: 36 23.137 2.013 0.580 0.504 0.971 0.571 CB 1.261 36 residues pruned to eliminate duplicates Z: 58 37.808 2.158 0.557 0.617 0.895 0.632 CB 1.491 58 residues pruned to eliminate duplicates Z: 57 32.926 2.145 0.429 0.569 0.911 0.679 CB 1.474 57 residues pruned to eliminate duplicates Z: 40 31.785 2.162 0.520 0.548 0.974 0.667 CB 1.516 40 residues pruned to eliminate duplicates Z: 31 27.799 2.172 0.609 0.576 0.967 0.800 CB 1.397 31 residues pruned to eliminate duplicates Z: 45 25.802 2.151 0.391 0.521 0.955 0.636 CB 1.334 45 residues pruned to eliminate duplicates Z: 61 37.531 2.126 0.567 0.563 0.950 0.650 CB 1.441 61 residues pruned to eliminate duplicates Z: 17 13.229 1.927 0.778 0.380 0.938 0.688 CB 1.170 17 residues pruned to eliminate duplicates Z: 35 25.996 2.157 0.477 0.526 0.971 0.588 CB 1.405 35 residues pruned to eliminate duplicates Z: 17 12.733 1.970 0.660 0.376 0.938 0.500 CB 1.186 17 residues pruned to eliminate duplicates Z: 17 14.599 1.933 0.773 0.368 1.000 0.562 CB 1.226 17 residues pruned to eliminate duplicates Z: 18 15.065 1.983 0.901 0.396 0.941 0.765 CB 1.149 18 residues pruned to eliminate duplicates Z: 61 38.224 2.137 0.544 0.580 0.917 0.667 CB 1.510 61 residues pruned to eliminate duplicates Z: 29 30.609 2.247 0.499 0.666 0.929 0.643 CB 1.586 29 residues pruned to eliminate duplicates Z: 46 34.830 2.192 0.560 0.622 0.933 0.578 CB 1.450 46 residues pruned to eliminate duplicates Z: 47 34.782 2.183 0.454 0.667 0.913 0.674 CA 1.516 47 residues pruned to eliminate duplicates Z: 63 44.364 2.148 0.623 0.621 0.968 0.710 CB 1.490 63 residues pruned to eliminate duplicates Z: 46 34.209 2.118 0.584 0.624 0.978 0.667 CB 1.383 46 residues pruned to eliminate duplicates Z: 46 29.178 2.162 0.526 0.577 0.867 0.622 CB 1.412 46 residues pruned to eliminate duplicates Z: 46 36.215 2.200 0.550 0.650 0.889 0.644 CB 1.549 46 residues pruned to eliminate duplicates Z: 45 35.612 2.188 0.622 0.637 0.909 0.614 CB 1.464 45 residues pruned to eliminate duplicates Z: 23 24.143 2.154 0.419 0.751 0.955 0.773 CA 1.409 23 residues pruned to eliminate duplicates Z: 48 31.253 2.098 0.546 0.601 0.936 0.596 CB 1.364 48 residues pruned to eliminate duplicates Z: 48 33.850 2.142 0.533 0.597 0.957 0.574 CB 1.432 48 residues pruned to eliminate duplicates Z: 23 25.981 2.174 0.517 0.709 0.955 0.636 CA 1.456 23 residues pruned to eliminate duplicates Z: 62 40.535 2.154 0.546 0.604 0.934 0.607 CB 1.510 62 residues pruned to eliminate duplicates Z: 33 25.928 2.181 0.284 0.668 0.938 0.625 CA 1.495 33 residues pruned to eliminate duplicates Z: 21 16.360 2.095 0.571 0.500 0.800 0.500 CB 1.390 21 residues pruned to eliminate duplicates Z: 58 44.244 2.200 0.653 0.632 0.947 0.719 CB 1.503 58 residues pruned to eliminate duplicates Z: 64 41.485 2.120 0.555 0.610 0.952 0.683 CB 1.500 64 residues pruned to eliminate duplicates Z: 62 40.916 2.139 0.651 0.604 0.934 0.656 CB 1.438 62 residues pruned to eliminate duplicates Z: 30 33.874 2.246 0.502 0.661 1.000 0.483 CA 1.605 30 residues pruned to eliminate duplicates Z: 30 31.502 2.275 0.457 0.657 0.931 0.552 CA 1.638 30 residues pruned to eliminate duplicates Z: 18 19.083 2.203 0.460 0.540 0.941 0.529 CB 1.470 18 residues pruned to eliminate duplicates Z: 27 33.697 2.194 0.657 0.690 1.000 0.654 CA 1.527 27 residues pruned to eliminate duplicates Z: 36 21.217 2.057 0.477 0.505 0.886 0.486 CB 1.326 36 residues pruned to eliminate duplicates Z: 50 34.550 2.128 0.429 0.637 0.959 0.694 CB 1.488 50 residues pruned to eliminate duplicates Z: 48 35.122 2.166 0.516 0.629 0.915 0.638 CA 1.511 48 residues pruned to eliminate duplicates Z: 61 43.305 2.181 0.588 0.616 0.950 0.700 CB 1.522 61 residues pruned to eliminate duplicates Z: 46 41.136 2.232 0.524 0.666 1.000 0.689 CA 1.546 46 residues pruned to eliminate duplicates Z: 46 37.634 2.203 0.501 0.639 0.956 0.667 CA 1.558 46 residues pruned to eliminate duplicates Z: 63 39.590 2.143 0.510 0.614 0.984 0.629 CB 1.418 63 residues pruned to eliminate duplicates Z: 62 41.308 2.163 0.600 0.614 0.934 0.639 CB 1.468 62 residues pruned to eliminate duplicates Z: 46 36.695 2.216 0.473 0.666 0.933 0.600 CA 1.540 46 residues pruned to eliminate duplicates Z: 37 24.435 2.034 0.582 0.493 0.917 0.556 CB 1.390 37 residues pruned to eliminate duplicates Z: 31 27.810 2.197 0.640 0.597 0.867 0.633 CB 1.483 31 residues pruned to eliminate duplicates Z: 24 27.700 2.228 0.741 0.626 0.913 0.739 CA 1.448 24 residues pruned to eliminate duplicates Z: 62 38.473 2.147 0.567 0.620 0.902 0.672 CB 1.450 62 residues pruned to eliminate duplicates Z: 49 37.376 2.156 0.532 0.633 0.938 0.646 CB 1.538 49 residues pruned to eliminate duplicates Z: 33 28.212 2.134 0.626 0.565 0.969 0.500 CB 1.393 33 residues pruned to eliminate duplicates Z: 34 23.786 2.093 0.470 0.537 0.909 0.485 CB 1.428 34 residues pruned to eliminate duplicates Z: 49 39.269 2.162 0.519 0.677 0.958 0.646 CB 1.530 49 residues pruned to eliminate duplicates Z: 27 23.687 2.126 0.599 0.554 0.923 0.654 CB 1.405 27 residues pruned to eliminate duplicates Z: 63 38.632 2.128 0.538 0.588 0.952 0.532 CB 1.449 63 residues pruned to eliminate duplicates Z: 13 11.297 2.006 0.442 0.384 1.000 0.583 CB 1.275 13 residues pruned to eliminate duplicates Z: 17 11.432 1.852 0.464 0.304 0.938 0.625 CB 1.398 17 residues pruned to eliminate duplicates Z: 14 9.169 1.979 0.437 0.306 0.846 0.538 CB 1.312 14 residues pruned to eliminate duplicates Z: 59 24.436 1.905 0.669 0.489 0.948 0.586 CB 1.077 81 residues pruned to eliminate duplicates Z: 15 12.556 1.954 0.619 0.388 1.000 0.571 CB 1.195 15 residues pruned to eliminate duplicates Z: 6 5.929 1.714 0.505 0.328 1.000 0.400 N 1.242 6 residues pruned to eliminate duplicates Z: 25 16.254 1.901 0.748 0.433 1.000 0.708 CB 1.071 25 residues pruned to eliminate duplicates Z: 52 22.023 1.808 0.771 0.505 0.961 0.549 CB 0.997 44 residues pruned to eliminate duplicates Z: 9 6.672 1.606 0.484 0.545 1.000 0.750 CB 0.947 9 residues pruned to eliminate duplicates Z: 25 17.527 1.945 0.714 0.460 0.958 0.583 CB 1.166 25 residues pruned to eliminate duplicates Z: 18 13.145 1.870 0.692 0.350 0.941 0.765 CB 1.259 18 residues pruned to eliminate duplicates Z: 22 16.008 1.914 0.760 0.438 0.905 0.667 CB 1.222 22 residues pruned to eliminate duplicates Z: 24 17.596 1.959 0.780 0.462 0.913 0.565 CB 1.197 24 residues pruned to eliminate duplicates Z: 22 16.899 1.938 0.815 0.425 0.952 0.714 CB 1.190 30 residues pruned to eliminate duplicates Z: 8 4.245 1.501 0.449 0.591 0.714 0.429 CA 0.946 812 residues left after pruning, divided into chains as follows: A: 11 B: 17 C: 6 D: 7 E: 8 F: 23 G: 8 H: 12 I: 8 J: 11 K: 22 L: 34 M: 8 N: 34 O: 18 P: 19 Q: 17 R: 18 S: 20 T: 241 U: 258 V: 12 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 31.02 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.406, Connect. = 0.708 for dens.mod. cycle 1 = 0.300, Contrast = 0.495, Connect. = 0.757 for dens.mod. cycle 2 = 0.300, Contrast = 0.558, Connect. = 0.778 for dens.mod. cycle 3 = 0.300, Contrast = 0.567, Connect. = 0.782 for dens.mod. cycle 4 = 0.300, Contrast = 0.574, Connect. = 0.784 for dens.mod. cycle 5 = 0.300, Contrast = 0.577, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.580, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.583, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.585, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.587, Connect. = 0.788 for dens.mod. cycle 10 TimeTaking 355.3