null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:45:13 on 15 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: ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.ins Phases from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi Native data from ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.hkl Listing output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.lst Phases output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phs Poly-Ala trace output to ./2i5i-1.7-parrot-noncs/2i5i-1.7-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: H 3 Allowed origin shift code: 8 59789 Reflections read from file ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.phi 59789 Reflections read from file ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.hkl 59789 Unique data, highest resolution = 1.701 Angstroms Anisotropic scaling: intensities multiplied by 0.000066h^2 +0.000066k^2 -0.000184l^2 +0.000000kl +0.000000hl +0.000066hk 51 Reflections with d > 1.901 and 0 in range 1.901 > d > 1.701 added Density sharpening factor set to 1.20 Fourier grid = 256 x 256 x 51 0.000 <= z <= 0.333 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.540 ** -f missing ?? ** = 0.299, Contrast = 0.328, Connect. = 0.729 for dens.mod. cycle 1 = 0.299, Contrast = 0.379, Connect. = 0.721 for dens.mod. cycle 2 = 0.299, Contrast = 0.476, Connect. = 0.753 for dens.mod. cycle 3 = 0.299, Contrast = 0.525, Connect. = 0.765 for dens.mod. cycle 4 = 0.299, Contrast = 0.561, Connect. = 0.773 for dens.mod. cycle 5 = 0.299, Contrast = 0.587, Connect. = 0.778 for dens.mod. cycle 6 = 0.299, Contrast = 0.607, Connect. = 0.783 for dens.mod. cycle 7 = 0.299, Contrast = 0.622, Connect. = 0.786 for dens.mod. cycle 8 = 0.299, Contrast = 0.633, Connect. = 0.789 for dens.mod. cycle 9 = 0.299, Contrast = 0.643, Connect. = 0.791 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3300 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 512 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 14.339 1.937 0.450 0.843 0.692 0.385 CB 1.523 B: 14 11.940 1.706 0.393 0.877 0.923 0.692 CA 1.096 C: 21 30.316 1.907 0.957 0.878 0.900 0.550 CB 1.465 14 residues pruned to eliminate duplicates D: 13 20.616 1.779 0.923 0.876 1.000 0.417 CB 1.265 13 residues pruned to eliminate duplicates E: 14 20.117 1.892 0.707 0.867 1.000 0.846 CB 1.264 F: 13 19.501 1.892 0.656 0.834 1.000 0.250 CB 1.347 13 residues pruned to eliminate duplicates G: 20 28.958 1.877 1.143 0.941 0.947 0.579 CB 1.210 20 residues pruned to eliminate duplicates H: 6 12.445 2.324 1.052 0.652 1.000 0.800 CB 1.013 I: 11 7.226 1.933 0.250 0.537 0.900 0.800 CB 1.013 J: 19 31.386 1.976 0.924 0.899 0.944 0.833 CA 1.472 19 residues pruned to eliminate duplicates K: 15 10.172 1.943 0.414 0.489 0.857 0.571 CA 1.168 L: 13 14.172 1.819 0.632 0.913 1.000 0.667 CB 0.975 M: 19 16.692 1.849 0.461 0.561 0.889 0.556 CA 1.543 8 residues pruned to eliminate duplicates N: 9 7.044 1.640 0.545 0.392 1.000 0.625 CB 1.102 O: 18 32.741 2.039 0.851 0.931 1.000 0.647 CA 1.470 19 residues pruned to eliminate duplicates P: 7 12.861 2.126 0.491 0.812 1.000 0.833 CA 1.263 Q: 6 2.429 1.712 0.324 0.365 0.800 0.600 CB 0.693 6 residues pruned to eliminate duplicates R: 14 17.198 1.919 0.487 0.903 1.000 0.769 CA 1.191 14 residues pruned to eliminate duplicates S: 12 13.577 1.868 0.590 0.878 1.000 0.818 CB 1.001 12 residues pruned to eliminate duplicates T: 12 12.538 1.845 0.783 0.511 1.000 0.727 CB 1.137 U: 8 7.516 1.656 0.633 0.451 1.000 0.714 CB 1.104 8 residues pruned to eliminate duplicates V: 12 5.751 1.804 0.500 0.250 0.909 0.364 CB 0.940 W: 6 3.478 1.816 0.179 0.486 0.600 0.600 N 1.228 X: 13 16.122 1.821 0.723 0.821 0.917 0.417 CA 1.225 13 residues pruned to eliminate duplicates Y: 13 21.915 1.920 0.992 0.887 1.000 0.833 CA 1.193 Z: 11 27.373 2.067 1.156 0.885 1.000 0.700 CA 1.403 11 residues pruned to eliminate duplicates Z: 15 16.040 1.780 0.777 0.882 0.929 0.429 CB 1.056 14 residues pruned to eliminate duplicates Z: 23 17.349 1.866 0.876 0.725 0.864 0.636 CB 0.999 14 residues pruned to eliminate duplicates Z: 10 6.280 1.766 0.314 0.397 0.889 0.333 CA 1.131 10 residues pruned to eliminate duplicates Z: 7 14.538 2.126 0.460 0.845 1.000 0.833 CA 1.422 7 residues pruned to eliminate duplicates Z: 12 12.386 1.827 0.257 0.926 1.000 0.909 CB 1.140 12 residues pruned to eliminate duplicates Z: 13 4.213 1.514 0.312 0.296 0.833 0.417 CB 0.922 6 residues pruned to eliminate duplicates Z: 8 6.320 1.921 0.716 0.367 0.857 0.429 CA 0.975 6 residues pruned to eliminate duplicates Z: 13 19.015 1.899 1.234 0.919 1.000 0.750 CA 0.912 13 residues pruned to eliminate duplicates Z: 18 31.783 2.084 0.808 0.932 1.000 0.824 CA 1.428 18 residues pruned to eliminate duplicates Z: 31 14.733 1.719 0.554 0.602 0.900 0.400 CB 1.015 23 residues pruned to eliminate duplicates Z: 13 13.251 1.587 0.759 0.822 0.917 0.750 CB 1.131 13 residues pruned to eliminate duplicates Z: 18 27.763 2.029 0.713 0.913 1.000 0.941 CA 1.371 18 residues pruned to eliminate duplicates Z: 21 16.369 1.840 0.566 0.725 0.950 0.700 CB 1.091 21 residues pruned to eliminate duplicates Z: 18 9.631 1.961 0.499 0.466 0.824 0.647 CB 0.998 11 residues pruned to eliminate duplicates Z: 13 11.350 1.859 0.364 0.853 0.833 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 13 17.855 1.833 0.972 0.924 1.000 0.750 CB 1.001 13 residues pruned to eliminate duplicates Z: 9 7.745 1.710 0.506 0.737 1.000 0.625 CB 0.859 Z: 9 8.633 1.655 0.514 0.873 0.875 0.875 CB 1.014 Z: 20 26.904 1.926 0.779 0.907 0.895 0.737 CA 1.431 19 residues pruned to eliminate duplicates Z: 15 13.651 1.780 0.833 0.834 0.643 0.571 CA 1.304 15 residues pruned to eliminate duplicates Z: 12 18.175 1.945 0.837 0.908 1.000 0.636 CB 1.089 12 residues pruned to eliminate duplicates Z: 7 8.583 1.813 0.084 0.810 1.000 0.833 CA 1.361 7 residues pruned to eliminate duplicates Z: 11 14.472 1.771 0.899 0.874 0.900 0.600 CB 1.100 9 residues pruned to eliminate duplicates Z: 7 4.168 1.445 0.181 0.470 1.000 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 8 8.591 1.665 0.491 0.624 1.000 0.714 CB 1.164 Z: 13 14.532 1.631 0.899 0.869 1.000 0.667 CB 0.989 13 residues pruned to eliminate duplicates Z: 20 20.294 1.774 0.917 0.719 1.000 0.632 CB 1.123 30 residues pruned to eliminate duplicates Z: 13 15.323 1.820 0.290 0.877 1.000 0.833 CA 1.367 13 residues pruned to eliminate duplicates Z: 7 6.180 1.585 0.769 0.408 1.000 0.500 CA 0.992 Z: 7 10.388 1.483 0.920 0.902 1.000 1.000 CB 1.063 6 residues pruned to eliminate duplicates Z: 19 24.538 1.886 0.804 0.925 1.000 0.833 CA 1.193 19 residues pruned to eliminate duplicates Z: 9 2.472 1.365 0.425 0.194 0.750 0.500 CA 0.864 11 residues pruned to eliminate duplicates Z: 20 29.183 1.941 0.839 0.945 0.947 0.895 CA 1.370 20 residues pruned to eliminate duplicates Z: 19 39.054 1.943 1.265 0.939 1.000 0.500 CA 1.453 21 residues pruned to eliminate duplicates Z: 13 14.203 1.832 0.328 0.910 1.000 0.917 CA 1.195 13 residues pruned to eliminate duplicates Z: 14 16.419 1.797 0.603 0.925 1.000 0.769 CB 1.109 9 residues pruned to eliminate duplicates Z: 12 12.109 1.722 0.508 0.869 1.000 0.909 CB 1.027 10 residues pruned to eliminate duplicates Z: 13 22.348 1.933 1.386 0.920 1.000 0.833 CA 0.985 13 residues pruned to eliminate duplicates Z: 6 5.199 1.871 -0.026 0.497 0.800 0.600 CB 1.600 6 residues pruned to eliminate duplicates Z: 23 18.559 1.820 0.923 0.692 0.909 0.545 CB 1.043 23 residues pruned to eliminate duplicates Z: 10 7.966 1.939 0.185 0.454 1.000 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 13 15.923 1.625 0.799 0.895 1.000 0.500 CB 1.127 13 residues pruned to eliminate duplicates Z: 14 25.621 2.013 0.889 0.928 0.923 0.615 CA 1.418 14 residues pruned to eliminate duplicates Z: 12 12.609 1.635 0.564 0.873 1.000 0.727 CA 1.083 12 residues pruned to eliminate duplicates Z: 16 16.738 1.698 0.798 0.787 1.000 0.600 CA 1.100 15 residues pruned to eliminate duplicates Z: 8 5.346 1.668 0.267 0.468 0.857 0.571 CB 1.152 Z: 14 8.679 1.781 0.537 0.377 0.923 0.615 CB 1.086 8 residues pruned to eliminate duplicates Z: 10 10.165 1.773 0.685 0.488 1.000 0.889 CA 1.148 9 residues pruned to eliminate duplicates Z: 11 10.843 1.823 0.273 0.888 1.000 0.900 CA 1.064 11 residues pruned to eliminate duplicates Z: 15 12.495 1.531 0.762 0.884 1.000 0.857 CB 0.895 Z: 7 2.754 1.674 0.105 0.373 0.833 0.833 CB 0.835 Z: 12 4.226 1.766 0.143 0.354 1.000 0.818 CB 0.739 Z: 7 9.565 2.172 0.927 0.557 0.833 0.667 CB 1.059 8 residues pruned to eliminate duplicates Z: 11 13.855 1.838 0.555 0.897 1.000 0.800 CA 1.097 11 residues pruned to eliminate duplicates Z: 13 12.226 1.921 0.370 0.463 0.917 0.667 CB 1.518 13 residues pruned to eliminate duplicates Z: 10 8.175 1.718 0.378 0.888 0.778 0.556 CA 1.066 Z: 7 21.096 2.071 1.051 0.854 1.000 0.667 CB 1.498 7 residues pruned to eliminate duplicates Z: 13 15.895 1.712 0.612 0.880 1.000 0.750 CA 1.205 13 residues pruned to eliminate duplicates Z: 13 8.775 1.607 0.093 0.877 1.000 0.750 CB 1.047 13 residues pruned to eliminate duplicates Z: 12 10.798 1.765 0.455 0.757 1.000 0.545 CB 1.009 11 residues pruned to eliminate duplicates Z: 10 14.069 1.847 0.524 0.903 1.000 0.556 CB 1.187 10 residues pruned to eliminate duplicates Z: 10 9.677 1.421 0.525 0.814 1.000 0.667 CB 1.132 6 residues pruned to eliminate duplicates Z: 12 5.655 1.579 0.404 0.402 0.818 0.545 CB 1.041 12 residues pruned to eliminate duplicates Z: 11 21.783 1.991 0.989 0.938 1.000 0.900 CB 1.210 11 residues pruned to eliminate duplicates Z: 12 17.172 1.933 1.004 0.933 1.000 0.818 CA 0.933 12 residues pruned to eliminate duplicates Z: 8 6.029 1.541 0.370 0.790 0.857 0.429 CB 0.976 Z: 10 3.909 1.585 0.110 0.499 0.667 0.444 CB 1.112 10 residues pruned to eliminate duplicates Z: 6 2.761 1.639 -0.222 0.634 0.800 0.400 CB 1.066 Z: 10 11.851 1.678 0.372 0.885 1.000 0.889 CB 1.239 10 residues pruned to eliminate duplicates Z: 7 7.117 1.925 0.685 0.518 0.833 0.667 CA 1.056 7 residues pruned to eliminate duplicates Z: 11 12.286 1.640 0.787 0.877 1.000 0.700 CB 0.963 12 residues pruned to eliminate duplicates Z: 6 4.327 1.520 0.307 0.850 0.800 0.800 CB 0.902 5 residues pruned to eliminate duplicates Z: 8 9.101 1.796 0.265 0.661 1.000 0.714 CA 1.304 Z: 22 18.856 1.923 0.852 0.601 0.857 0.667 CB 1.224 18 residues pruned to eliminate duplicates Z: 13 13.210 1.637 0.445 0.908 1.000 0.500 CA 1.144 13 residues pruned to eliminate duplicates Z: 20 34.843 1.941 0.997 0.927 1.000 0.632 CA 1.445 20 residues pruned to eliminate duplicates Z: 33 8.322 1.720 0.342 0.372 0.781 0.375 CB 0.935 14 residues pruned to eliminate duplicates Z: 6 3.454 1.781 0.003 0.353 0.800 0.600 CB 1.267 6 residues pruned to eliminate duplicates Z: 6 2.933 1.359 0.058 0.865 1.000 0.600 CB 0.668 Z: 7 5.485 1.722 0.550 0.538 0.833 0.667 CB 0.970 7 residues pruned to eliminate duplicates Z: 25 27.268 1.916 0.792 0.816 0.958 0.625 CB 1.285 22 residues pruned to eliminate duplicates Z: 8 7.110 1.585 0.119 0.872 1.000 0.714 CA 1.104 8 residues pruned to eliminate duplicates Z: 14 15.117 1.785 0.881 0.912 0.923 0.615 CB 0.958 14 residues pruned to eliminate duplicates Z: 10 5.910 1.777 0.549 0.497 0.778 0.778 CB 0.922 10 residues pruned to eliminate duplicates Z: 13 11.346 1.728 0.683 0.534 0.917 0.333 CB 1.189 Z: 7 8.042 1.604 0.352 0.731 1.000 0.667 CB 1.230 6 residues pruned to eliminate duplicates Z: 8 4.273 1.535 0.565 0.345 0.857 0.714 CB 0.929 4 residues pruned to eliminate duplicates Z: 16 20.959 1.898 0.574 0.859 1.000 0.667 CA 1.333 16 residues pruned to eliminate duplicates Z: 12 14.729 1.784 0.437 0.916 1.000 0.909 CB 1.223 13 residues pruned to eliminate duplicates Z: 12 10.929 1.809 0.439 0.467 1.000 0.455 CB 1.309 13 residues pruned to eliminate duplicates Z: 6 2.376 1.383 -0.175 0.614 0.800 0.400 CA 1.044 6 residues pruned to eliminate duplicates Z: 14 6.883 1.975 0.288 0.418 0.846 0.538 CB 0.966 19 residues pruned to eliminate duplicates Z: 7 2.295 1.509 0.251 0.453 0.833 0.667 CB 0.625 Z: 11 8.080 1.907 0.452 0.389 0.900 0.600 CB 1.153 11 residues pruned to eliminate duplicates Z: 12 15.900 1.921 0.574 0.947 1.000 1.000 CA 1.096 12 residues pruned to eliminate duplicates Z: 16 16.894 1.749 0.812 0.845 0.933 0.400 CB 1.096 11 residues pruned to eliminate duplicates Z: 9 7.114 1.657 0.171 0.683 0.875 0.750 C 1.252 9 residues pruned to eliminate duplicates Z: 11 5.435 1.627 0.278 0.451 0.900 0.600 CB 0.966 11 residues pruned to eliminate duplicates Z: 8 7.912 1.546 0.449 0.854 1.000 0.857 CA 0.986 8 residues pruned to eliminate duplicates Z: 11 7.601 1.698 0.072 0.893 1.000 0.900 CB 0.947 10 residues pruned to eliminate duplicates Z: 20 32.382 1.928 1.042 0.911 0.947 0.579 CA 1.413 20 residues pruned to eliminate duplicates Z: 9 21.852 1.843 1.738 0.913 1.000 0.750 CB 1.083 10 residues pruned to eliminate duplicates Z: 13 4.929 1.518 0.318 0.255 0.917 0.667 CA 1.027 13 residues pruned to eliminate duplicates Z: 8 8.547 1.472 0.774 0.880 1.000 1.000 CA 0.896 8 residues pruned to eliminate duplicates Z: 7 3.427 1.461 0.305 0.256 0.833 0.667 N 1.164 Z: 11 14.095 1.681 0.638 0.892 1.000 0.900 CB 1.163 13 residues pruned to eliminate duplicates Z: 13 19.564 1.755 1.187 0.897 0.917 0.667 CB 1.149 12 residues pruned to eliminate duplicates Z: 13 9.077 1.744 0.437 0.882 0.917 0.667 CB 0.826 13 residues pruned to eliminate duplicates Z: 12 8.393 1.870 0.680 0.399 0.818 0.545 CB 1.095 17 residues pruned to eliminate duplicates Z: 8 5.426 1.983 0.132 0.579 1.000 0.571 CB 0.847 8 residues pruned to eliminate duplicates Z: 13 9.624 1.892 0.406 0.460 0.917 0.500 CB 1.187 15 residues pruned to eliminate duplicates Z: 11 15.000 1.858 0.759 0.759 1.000 0.700 CA 1.153 9 residues pruned to eliminate duplicates Z: 7 16.239 2.158 1.367 0.705 1.000 0.667 CB 1.077 7 residues pruned to eliminate duplicates Z: 15 9.777 1.765 0.536 0.439 0.786 0.357 CB 1.307 15 residues pruned to eliminate duplicates Z: 7 8.474 1.770 1.286 0.405 1.000 0.667 CB 0.945 Z: 11 9.215 1.728 0.454 0.858 0.900 0.800 CB 0.949 11 residues pruned to eliminate duplicates Z: 6 5.501 1.411 0.190 0.866 1.000 0.800 N 1.073 Z: 6 4.427 1.537 0.224 0.839 1.000 1.000 CB 0.786 6 residues pruned to eliminate duplicates Z: 13 11.506 1.771 0.234 0.913 1.000 0.917 CB 1.076 13 residues pruned to eliminate duplicates Z: 12 10.472 1.719 0.423 0.855 0.909 0.727 CB 1.048 12 residues pruned to eliminate duplicates Z: 11 11.781 1.765 0.672 0.898 1.000 0.800 CB 0.903 11 residues pruned to eliminate duplicates Z: 22 23.233 1.890 0.593 0.840 0.905 0.619 CA 1.389 22 residues pruned to eliminate duplicates 6 0.622 1.061 0.155 0.459 1.000 0.400 CB 0.237 ? Z: 13 16.059 1.690 0.968 0.847 0.917 0.750 CB 1.129 13 residues pruned to eliminate duplicates Z: 29 18.668 1.711 0.720 0.642 0.964 0.536 CB 1.089 27 residues pruned to eliminate duplicates 9 1.997 1.205 0.278 0.501 0.750 0.500 N 0.611 ? Z: 18 20.349 1.802 0.925 0.823 0.941 0.588 CB 1.143 20 residues pruned to eliminate duplicates Z: 8 5.263 1.603 0.238 0.322 1.000 0.571 CA 1.220 Z: 9 9.432 1.815 0.278 0.876 0.875 0.750 CA 1.195 9 residues pruned to eliminate duplicates Z: 13 20.167 1.929 1.067 0.890 1.000 0.833 CA 1.050 12 residues pruned to eliminate duplicates Z: 7 10.760 1.816 0.781 0.773 1.000 0.667 CB 1.067 7 residues pruned to eliminate duplicates Z: 7 5.473 1.557 1.006 0.433 0.667 0.500 CB 1.150 7 residues pruned to eliminate duplicates Z: 20 26.412 1.943 0.760 0.906 1.000 0.789 CA 1.260 20 residues pruned to eliminate duplicates Z: 8 4.238 1.294 0.048 0.656 1.000 0.714 CB 1.022 Z: 7 9.568 1.692 0.430 0.860 1.000 0.500 CB 1.187 7 residues pruned to eliminate duplicates Z: 13 17.556 1.904 0.398 0.848 1.000 0.833 CB 1.413 13 residues pruned to eliminate duplicates Z: 6 2.213 1.523 0.303 0.426 0.600 0.600 CA 0.898 Z: 34 18.539 1.801 0.800 0.477 0.818 0.576 CB 1.246 33 residues pruned to eliminate duplicates Z: 6 3.927 1.585 0.388 0.685 1.000 1.000 CB 0.673 5 residues pruned to eliminate duplicates Z: 10 6.290 1.424 0.278 0.485 1.000 0.556 CA 1.170 7 residues pruned to eliminate duplicates Z: 6 3.214 1.688 0.453 0.659 0.400 0.400 CB 1.264 Z: 8 6.229 1.633 0.519 0.490 1.000 0.714 CA 0.958 4 residues pruned to eliminate duplicates Z: 6 4.890 1.447 0.321 0.830 1.000 0.800 CB 0.860 Z: 11 11.318 1.721 0.580 0.880 1.000 0.700 CB 0.953 11 residues pruned to eliminate duplicates Z: 6 2.309 1.386 0.350 0.295 0.800 0.800 N 0.868 6 residues pruned to eliminate duplicates Z: 10 10.247 1.807 0.648 0.904 0.778 0.556 CA 1.050 10 residues pruned to eliminate duplicates Z: 6 2.496 1.256 0.263 0.324 0.800 0.400 CB 1.067 Z: 9 4.902 1.706 0.506 0.387 0.875 0.250 CB 0.870 9 residues pruned to eliminate duplicates Z: 18 29.034 1.893 0.989 0.918 1.000 0.706 CA 1.319 18 residues pruned to eliminate duplicates Z: 6 16.293 2.260 0.602 0.855 1.000 1.000 CB 1.486 8 residues pruned to eliminate duplicates Z: 10 8.351 1.456 0.584 0.837 1.000 0.667 CB 0.903 4 residues pruned to eliminate duplicates Z: 20 27.996 1.877 0.935 0.912 0.947 0.895 CA 1.321 20 residues pruned to eliminate duplicates Z: 14 11.210 1.979 0.131 0.594 1.000 0.615 CA 1.270 14 residues pruned to eliminate duplicates Z: 10 3.950 1.701 0.627 0.442 1.000 0.556 CB 0.505 10 residues pruned to eliminate duplicates Z: 6 2.996 1.352 0.254 0.834 0.800 0.800 CB 0.740 6 residues pruned to eliminate duplicates Z: 14 21.008 1.879 1.028 0.915 1.000 0.846 CB 1.081 16 residues pruned to eliminate duplicates Z: 13 14.375 1.751 0.566 0.918 1.000 0.667 CB 1.067 13 residues pruned to eliminate duplicates Z: 14 11.834 1.775 0.374 0.888 1.000 0.923 CB 0.969 14 residues pruned to eliminate duplicates Z: 15 10.307 1.616 0.287 0.644 1.000 0.571 CB 1.157 13 residues pruned to eliminate duplicates Z: 10 6.964 1.460 0.110 0.841 1.000 0.667 CB 1.068 10 residues pruned to eliminate duplicates Z: 11 16.660 1.909 1.119 0.928 1.000 0.900 CA 0.912 11 residues pruned to eliminate duplicates Z: 18 28.123 2.045 1.022 0.923 0.824 0.471 CA 1.407 18 residues pruned to eliminate duplicates 6 1.713 1.333 0.200 0.521 0.600 0.400 CB 0.781 ? Z: 8 11.099 1.967 0.789 0.691 0.857 0.571 CA 1.167 8 residues pruned to eliminate duplicates Z: 14 8.074 1.377 0.589 0.814 0.769 0.538 CB 1.012 12 residues pruned to eliminate duplicates Z: 9 11.239 1.766 0.507 0.905 1.000 1.000 CB 1.064 9 residues pruned to eliminate duplicates Z: 7 2.502 1.297 0.481 0.323 1.000 0.333 CB 0.646 Z: 6 6.077 1.466 0.133 0.874 1.000 1.000 CB 1.191 6 residues pruned to eliminate duplicates Z: 14 13.947 1.998 0.610 0.574 1.000 0.538 CB 1.120 7 residues pruned to eliminate duplicates Z: 11 20.773 2.015 1.067 0.924 1.000 0.800 CA 1.107 11 residues pruned to eliminate duplicates Z: 7 3.475 1.276 -0.063 0.768 1.000 0.667 CB 0.936 7 residues pruned to eliminate duplicates Z: 6 8.202 1.648 0.751 0.600 1.000 1.000 CA 1.156 6 residues pruned to eliminate duplicates Z: 6 8.694 1.801 0.567 0.797 1.000 0.800 CB 1.062 6 residues pruned to eliminate duplicates Z: 12 15.459 1.855 0.634 0.860 1.000 0.818 CA 1.130 12 residues pruned to eliminate duplicates Z: 7 9.337 1.514 0.595 0.781 1.000 1.000 CB 1.233 12 residues pruned to eliminate duplicates Z: 7 7.584 1.562 0.586 0.865 1.000 1.000 CA 0.916 7 residues pruned to eliminate duplicates Z: 6 2.988 1.476 0.225 0.594 0.800 0.400 CB 0.844 4 residues pruned to eliminate duplicates Z: 7 7.227 2.059 0.786 0.873 1.000 0.333 CB 0.585 7 residues pruned to eliminate duplicates Z: 12 10.888 1.732 0.385 0.811 1.000 0.727 CB 1.044 12 residues pruned to eliminate duplicates Z: 7 6.299 1.729 0.518 0.864 0.833 0.333 CB 0.862 7 residues pruned to eliminate duplicates Z: 11 5.955 1.739 0.177 0.481 1.000 0.700 CB 0.938 11 residues pruned to eliminate duplicates Z: 6 2.719 1.596 0.277 0.100 1.000 0.600 CA 0.994 Z: 7 2.795 1.534 0.255 0.387 1.000 0.667 CB 0.668 6 residues pruned to eliminate duplicates Z: 12 15.208 1.685 0.591 0.867 1.000 0.909 CB 1.252 11 residues pruned to eliminate duplicates Z: 7 5.246 1.867 0.651 0.682 0.667 0.333 CB 0.882 7 residues pruned to eliminate duplicates Z: 6 7.467 1.459 0.834 0.867 1.000 0.800 CB 0.913 8 residues pruned to eliminate duplicates Z: 12 12.651 1.942 0.578 0.497 0.909 0.727 CA 1.373 16 residues pruned to eliminate duplicates Z: 8 7.191 1.860 0.298 0.464 0.857 0.571 CB 1.363 8 residues pruned to eliminate duplicates Z: 13 14.908 1.922 0.555 0.870 0.917 0.667 CB 1.147 13 residues pruned to eliminate duplicates Z: 8 4.802 1.278 0.268 0.888 1.000 0.857 CA 0.807 8 residues pruned to eliminate duplicates Z: 7 6.392 1.667 0.372 0.505 1.000 0.667 CA 1.135 Z: 10 6.887 1.442 0.149 0.832 1.000 0.889 CB 1.041 10 residues pruned to eliminate duplicates Z: 10 7.937 1.666 0.475 0.434 1.000 0.667 CA 1.152 10 residues pruned to eliminate duplicates Z: 12 9.355 1.666 0.315 0.910 1.000 0.909 CB 0.913 12 residues pruned to eliminate duplicates Z: 6 11.248 1.681 1.217 0.785 1.000 0.800 CB 1.051 5 residues pruned to eliminate duplicates Z: 9 7.140 1.919 0.435 0.391 0.750 0.500 CA 1.372 9 residues pruned to eliminate duplicates Z: 12 10.801 1.875 0.577 0.876 1.000 0.818 CA 0.801 12 residues pruned to eliminate duplicates Z: 8 5.567 1.411 0.348 0.614 1.000 0.571 O 0.992 8 residues pruned to eliminate duplicates 410 residues left after pruning, divided into chains as follows: A: 25 B: 8 C: 16 D: 7 E: 6 F: 6 G: 22 H: 12 I: 19 J: 13 K: 19 L: 11 M: 6 N: 27 O: 6 P: 39 Q: 19 R: 12 S: 7 T: 13 U: 36 V: 7 W: 16 X: 11 Y: 12 Z: 10 Z: 15 Z: 10 CC for partial structure against native data = 25.87 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.299, Contrast = 0.449, Connect. = 0.736 for dens.mod. cycle 1 = 0.299, Contrast = 0.508, Connect. = 0.753 for dens.mod. cycle 2 = 0.299, Contrast = 0.636, Connect. = 0.792 for dens.mod. cycle 3 = 0.299, Contrast = 0.654, Connect. = 0.795 for dens.mod. cycle 4 = 0.299, Contrast = 0.670, Connect. = 0.798 for dens.mod. cycle 5 = 0.299, Contrast = 0.680, Connect. = 0.800 for dens.mod. cycle 6 = 0.299, Contrast = 0.689, Connect. = 0.802 for dens.mod. cycle 7 = 0.299, Contrast = 0.696, Connect. = 0.804 for dens.mod. cycle 8 = 0.299, Contrast = 0.701, Connect. = 0.805 for dens.mod. cycle 9 = 0.299, Contrast = 0.705, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2906 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 586 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 25.075 2.351 0.280 0.877 1.000 0.923 CB 1.679 B: 42 34.463 2.195 0.464 0.539 0.951 0.537 CA 1.694 C: 21 52.074 2.346 0.979 0.942 0.950 0.700 CB 1.831 D: 21 34.449 2.306 0.669 0.924 0.800 0.450 CB 1.756 21 residues pruned to eliminate duplicates E: 22 49.383 2.274 1.037 0.953 0.905 0.524 CB 1.770 22 residues pruned to eliminate duplicates F: 18 31.417 2.179 0.545 0.905 0.941 0.824 CA 1.712 18 residues pruned to eliminate duplicates G: 15 31.162 2.297 0.668 0.852 1.000 0.643 CA 1.608 15 residues pruned to eliminate duplicates H: 22 40.850 2.255 0.803 0.940 0.857 0.476 CB 1.776 22 residues pruned to eliminate duplicates I: 22 41.197 2.244 0.539 0.908 1.000 0.762 CA 1.849 22 residues pruned to eliminate duplicates J: 15 30.028 2.261 0.917 0.922 1.000 0.714 CB 1.302 K: 81 47.553 2.262 0.631 0.553 0.938 0.463 CB 1.460 39 residues pruned to eliminate duplicates L: 22 39.031 2.236 0.555 0.897 0.952 0.762 CA 1.841 21 residues pruned to eliminate duplicates M: 70 48.076 2.213 0.668 0.611 0.942 0.565 CB 1.499 70 residues pruned to eliminate duplicates N: 21 48.454 2.311 1.000 0.928 0.950 0.500 CB 1.728 21 residues pruned to eliminate duplicates O: 14 30.286 2.339 0.661 0.899 1.000 0.923 CB 1.546 14 residues pruned to eliminate duplicates P: 22 27.877 2.192 0.377 0.904 0.857 0.762 CA 1.675 22 residues pruned to eliminate duplicates Q: 14 32.896 2.295 1.036 0.907 1.000 0.769 CA 1.388 R: 21 55.370 2.338 0.944 0.946 1.000 0.650 CA 1.884 21 residues pruned to eliminate duplicates S: 16 26.089 2.118 0.524 0.853 1.000 0.400 CA 1.543 T: 22 42.335 2.251 0.626 0.904 1.000 0.810 CA 1.798 22 residues pruned to eliminate duplicates U: 22 39.750 2.215 0.574 0.940 0.952 0.810 CB 1.814 22 residues pruned to eliminate duplicates V: 21 37.009 2.201 0.624 0.870 0.950 0.700 CB 1.779 21 residues pruned to eliminate duplicates W: 19 39.228 2.386 0.941 0.931 0.778 0.500 CB 1.793 19 residues pruned to eliminate duplicates X: 13 34.054 2.412 0.876 0.901 1.000 0.750 CA 1.551 13 residues pruned to eliminate duplicates Y: 14 16.067 2.266 0.451 0.490 0.923 0.615 CB 1.483 Z: 15 27.747 2.178 0.875 0.887 1.000 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 12 18.188 2.109 0.176 0.888 1.000 0.818 CB 1.594 Z: 30 31.487 2.104 0.747 0.697 0.897 0.414 CB 1.483 Z: 15 25.485 2.262 0.525 0.845 0.929 0.643 CB 1.580 16 residues pruned to eliminate duplicates Z: 19 27.897 2.272 0.273 0.904 1.000 0.778 CB 1.619 20 residues pruned to eliminate duplicates Z: 14 22.295 2.331 0.538 0.533 0.923 0.615 CB 1.809 14 residues pruned to eliminate duplicates Z: 8 10.773 2.027 0.289 0.653 1.000 0.714 CB 1.351 Z: 32 35.199 2.224 0.588 0.580 0.935 0.645 CA 1.772 32 residues pruned to eliminate duplicates Z: 19 26.993 2.238 0.235 0.895 1.000 0.833 CA 1.649 19 residues pruned to eliminate duplicates Z: 10 14.889 1.961 0.421 0.866 1.000 0.778 CB 1.304 Z: 15 28.438 2.184 0.768 0.919 1.000 0.786 CB 1.387 15 residues pruned to eliminate duplicates Z: 6 4.466 1.677 0.355 0.693 0.600 0.600 CB 1.228 6 residues pruned to eliminate duplicates Z: 18 21.535 2.273 0.422 0.527 0.941 0.647 CB 1.671 Z: 21 45.576 2.322 0.724 0.934 0.950 0.750 CB 1.869 21 residues pruned to eliminate duplicates Z: 22 43.464 2.246 0.719 0.896 0.952 0.714 CB 1.848 22 residues pruned to eliminate duplicates Z: 15 17.101 2.052 0.555 0.859 0.929 0.714 CB 1.135 15 residues pruned to eliminate duplicates Z: 90 50.743 2.188 0.647 0.580 0.955 0.461 CB 1.447 81 residues pruned to eliminate duplicates Z: 15 22.261 2.118 0.411 0.911 1.000 0.571 CB 1.411 Z: 14 24.164 2.152 0.628 0.894 1.000 1.000 CA 1.372 14 residues pruned to eliminate duplicates Z: 21 49.789 2.324 0.935 0.943 0.950 0.600 CB 1.806 21 residues pruned to eliminate duplicates Z: 7 7.727 1.672 0.746 0.708 1.000 0.667 CB 0.894 7 residues pruned to eliminate duplicates Z: 9 7.582 1.690 0.361 0.845 0.750 0.500 CB 1.155 Z: 88 46.627 2.224 0.620 0.544 0.897 0.471 CB 1.482 88 residues pruned to eliminate duplicates Z: 14 22.896 2.310 0.180 0.933 1.000 1.000 CB 1.626 14 residues pruned to eliminate duplicates Z: 19 28.353 2.246 0.345 0.892 1.000 0.833 CA 1.589 19 residues pruned to eliminate duplicates Z: 63 46.970 2.245 0.672 0.633 0.935 0.516 CB 1.500 63 residues pruned to eliminate duplicates Z: 14 28.123 2.257 0.863 0.907 1.000 0.769 CB 1.318 14 residues pruned to eliminate duplicates Z: 12 17.747 2.104 0.249 0.864 1.000 0.818 CB 1.493 11 residues pruned to eliminate duplicates Z: 15 27.348 2.209 0.707 0.880 1.000 0.643 CB 1.404 15 residues pruned to eliminate duplicates Z: 13 23.131 2.240 0.480 0.856 1.000 0.667 CB 1.486 14 residues pruned to eliminate duplicates Z: 12 14.540 2.072 0.038 0.894 1.000 0.909 CB 1.463 12 residues pruned to eliminate duplicates Z: 27 11.369 1.874 0.374 0.324 0.769 0.500 CB 1.367 16 residues pruned to eliminate duplicates Z: 12 15.656 2.120 -0.006 0.923 1.000 0.909 CA 1.574 12 residues pruned to eliminate duplicates Z: 7 21.590 2.245 0.604 0.901 1.000 1.000 CB 1.747 8 residues pruned to eliminate duplicates Z: 15 29.845 2.315 0.642 0.830 1.000 0.786 CA 1.578 15 residues pruned to eliminate duplicates Z: 20 33.506 2.236 0.615 0.908 0.947 0.737 CB 1.596 20 residues pruned to eliminate duplicates Z: 25 33.964 2.323 0.683 0.644 0.875 0.625 CA 1.771 25 residues pruned to eliminate duplicates Z: 23 16.556 2.153 0.392 0.437 0.818 0.591 CB 1.535 18 residues pruned to eliminate duplicates Z: 12 27.326 2.425 0.693 0.888 1.000 0.727 CA 1.446 12 residues pruned to eliminate duplicates Z: 9 12.044 1.956 0.080 0.850 1.000 0.750 CA 1.493 9 residues pruned to eliminate duplicates Z: 8 12.884 1.776 0.553 0.887 1.000 0.714 CB 1.273 Z: 29 17.986 2.182 0.388 0.445 0.893 0.500 CB 1.330 Z: 13 30.043 2.352 1.003 0.879 0.917 0.583 CA 1.457 13 residues pruned to eliminate duplicates Z: 8 14.404 1.961 0.490 0.739 1.000 0.571 CA 1.504 Z: 9 17.473 2.151 0.648 0.680 0.875 0.750 CA 1.689 8 residues pruned to eliminate duplicates Z: 41 39.422 2.195 0.783 0.611 0.925 0.525 CB 1.550 43 residues pruned to eliminate duplicates Z: 8 10.297 1.758 0.282 0.863 1.000 0.857 CB 1.268 7 residues pruned to eliminate duplicates Z: 13 28.969 2.308 0.851 0.911 0.917 0.667 CB 1.513 13 residues pruned to eliminate duplicates Z: 23 19.138 2.087 0.535 0.693 0.818 0.182 CB 1.305 23 residues pruned to eliminate duplicates Z: 8 17.251 2.065 0.662 0.885 0.857 0.571 CA 1.600 7 residues pruned to eliminate duplicates Z: 8 8.394 2.147 0.196 0.521 0.857 0.429 CB 1.412 Z: 10 5.958 1.705 0.230 0.402 0.778 0.556 CB 1.349 10 residues pruned to eliminate duplicates Z: 8 5.328 1.720 0.408 0.473 0.714 0.286 CA 1.196 8 residues pruned to eliminate duplicates Z: 16 21.057 2.412 0.369 0.516 0.933 0.600 CB 1.737 17 residues pruned to eliminate duplicates Z: 14 27.242 2.310 0.487 0.908 1.000 0.923 CB 1.563 14 residues pruned to eliminate duplicates Z: 39 24.114 2.081 0.318 0.530 0.895 0.658 CB 1.548 39 residues pruned to eliminate duplicates Z: 70 43.298 2.223 0.581 0.622 0.913 0.594 CB 1.448 69 residues pruned to eliminate duplicates Z: 19 32.924 2.259 0.633 0.882 0.944 0.556 CB 1.612 19 residues pruned to eliminate duplicates Z: 17 38.023 2.158 0.917 0.873 0.938 0.688 CB 1.785 17 residues pruned to eliminate duplicates Z: 33 37.826 2.320 0.682 0.702 0.844 0.594 CB 1.691 33 residues pruned to eliminate duplicates Z: 12 19.088 2.129 0.204 0.916 1.000 0.909 CB 1.585 13 residues pruned to eliminate duplicates Z: 11 9.414 2.083 0.842 0.461 0.800 0.800 CA 1.010 11 residues pruned to eliminate duplicates Z: 22 45.451 2.251 0.836 0.924 0.905 0.667 CB 1.862 22 residues pruned to eliminate duplicates Z: 6 8.214 2.050 0.132 0.768 1.000 0.600 CA 1.249 6 residues pruned to eliminate duplicates Z: 37 20.820 2.024 0.288 0.502 0.917 0.472 CB 1.448 49 residues pruned to eliminate duplicates Z: 17 16.851 2.102 0.586 0.533 0.938 0.625 CB 1.305 15 residues pruned to eliminate duplicates Z: 15 37.205 2.151 1.289 0.911 1.000 0.500 CB 1.431 15 residues pruned to eliminate duplicates Z: 19 27.238 2.184 0.287 0.930 1.000 0.833 CA 1.597 19 residues pruned to eliminate duplicates Z: 21 49.113 2.305 0.739 0.922 1.000 0.700 CA 1.927 21 residues pruned to eliminate duplicates Z: 7 12.281 1.947 0.491 0.875 1.000 0.667 CB 1.256 8 residues pruned to eliminate duplicates Z: 8 7.670 1.917 0.563 0.599 0.714 0.714 CB 1.232 8 residues pruned to eliminate duplicates Z: 86 50.503 2.258 0.663 0.541 0.929 0.506 CB 1.509 86 residues pruned to eliminate duplicates Z: 9 14.946 1.976 0.298 0.805 1.000 0.375 CA 1.579 8 residues pruned to eliminate duplicates Z: 10 8.764 1.935 0.453 0.853 0.778 0.667 CB 0.987 10 residues pruned to eliminate duplicates Z: 86 46.041 2.240 0.627 0.532 0.894 0.435 CB 1.485 86 residues pruned to eliminate duplicates Z: 13 15.112 1.900 0.387 0.916 1.000 0.917 CB 1.169 Z: 10 9.394 1.895 0.073 0.745 0.889 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 6 9.169 2.372 0.384 0.405 0.800 0.600 CB 1.725 8 residues pruned to eliminate duplicates Z: 15 33.250 2.241 1.150 0.872 1.000 0.714 CB 1.345 15 residues pruned to eliminate duplicates Z: 22 36.977 2.176 0.496 0.930 1.000 0.810 CA 1.734 22 residues pruned to eliminate duplicates Z: 14 19.178 2.084 0.456 0.879 1.000 0.769 CB 1.270 Z: 13 10.359 1.886 0.275 0.597 0.833 0.667 CB 1.359 13 residues pruned to eliminate duplicates Z: 9 10.186 1.667 0.487 0.785 1.000 0.625 CB 1.131 9 residues pruned to eliminate duplicates Z: 15 19.243 2.135 0.550 0.823 0.857 0.714 CB 1.370 15 residues pruned to eliminate duplicates Z: 45 22.144 1.963 0.282 0.622 0.886 0.545 CB 1.333 19 residues pruned to eliminate duplicates Z: 17 31.979 2.360 0.501 0.934 0.938 0.562 CA 1.679 17 residues pruned to eliminate duplicates Z: 19 30.296 2.242 0.470 0.885 0.944 0.556 CA 1.656 19 residues pruned to eliminate duplicates Z: 7 12.360 2.015 0.377 0.865 1.000 0.667 CA 1.333 6 residues pruned to eliminate duplicates Z: 14 20.083 2.075 0.757 0.580 0.923 0.462 CA 1.533 8 residues pruned to eliminate duplicates Z: 8 7.707 1.972 0.348 0.531 0.714 0.571 CA 1.488 8 residues pruned to eliminate duplicates Z: 29 18.768 2.142 0.414 0.420 0.929 0.500 CB 1.370 32 residues pruned to eliminate duplicates Z: 15 27.286 2.216 0.552 0.877 1.000 0.714 CA 1.539 15 residues pruned to eliminate duplicates Z: 14 30.184 2.421 0.587 0.873 1.000 0.769 CB 1.587 15 residues pruned to eliminate duplicates Z: 15 22.979 2.216 0.331 0.863 1.000 0.857 CA 1.528 15 residues pruned to eliminate duplicates Z: 33 25.879 2.263 0.537 0.508 0.844 0.562 CB 1.546 14 residues pruned to eliminate duplicates Z: 41 33.898 2.178 0.441 0.563 0.950 0.575 CB 1.692 72 residues pruned to eliminate duplicates Z: 18 14.412 2.019 0.650 0.508 0.824 0.412 CB 1.264 18 residues pruned to eliminate duplicates Z: 10 13.064 1.951 0.404 0.845 0.889 0.778 CB 1.329 10 residues pruned to eliminate duplicates Z: 15 29.319 2.279 0.888 0.932 1.000 0.643 CB 1.272 15 residues pruned to eliminate duplicates Z: 13 40.792 2.393 1.245 0.902 1.000 0.917 CB 1.564 20 residues pruned to eliminate duplicates Z: 14 37.309 2.408 0.938 0.914 1.000 0.692 CA 1.568 13 residues pruned to eliminate duplicates Z: 14 21.795 2.276 0.545 0.839 0.769 0.462 CA 1.670 14 residues pruned to eliminate duplicates Z: 8 11.074 1.834 0.327 0.907 1.000 1.000 CB 1.223 8 residues pruned to eliminate duplicates Z: 16 25.950 2.210 0.210 0.932 1.000 0.867 CA 1.749 16 residues pruned to eliminate duplicates Z: 20 16.173 1.922 0.477 0.622 0.842 0.526 CB 1.383 20 residues pruned to eliminate duplicates Z: 15 17.742 2.111 0.113 0.903 1.000 1.000 CB 1.438 15 residues pruned to eliminate duplicates Z: 12 8.997 1.840 0.564 0.571 0.727 0.364 CB 1.211 15 residues pruned to eliminate duplicates Z: 9 16.281 1.945 0.530 0.881 1.000 0.750 CB 1.401 Z: 15 27.206 2.194 0.673 0.866 0.929 0.429 CA 1.562 15 residues pruned to eliminate duplicates Z: 35 46.731 2.345 0.807 0.683 0.941 0.618 CA 1.699 35 residues pruned to eliminate duplicates Z: 27 28.945 2.120 0.638 0.633 0.923 0.500 CA 1.563 27 residues pruned to eliminate duplicates Z: 15 17.752 1.979 0.625 0.860 0.857 0.714 CB 1.266 14 residues pruned to eliminate duplicates Z: 11 8.656 1.630 0.138 0.883 0.900 0.900 CB 1.186 6 residues pruned to eliminate duplicates Z: 15 19.604 2.082 0.206 0.911 1.000 0.714 CB 1.480 15 residues pruned to eliminate duplicates Z: 6 12.559 2.082 0.635 0.759 1.000 1.000 CA 1.311 6 residues pruned to eliminate duplicates Z: 86 53.752 2.272 0.698 0.586 0.929 0.576 CB 1.498 86 residues pruned to eliminate duplicates Z: 16 28.092 2.090 0.953 0.821 1.000 0.533 CB 1.345 Z: 10 11.957 1.906 0.475 0.743 0.889 0.556 CB 1.284 10 residues pruned to eliminate duplicates Z: 22 40.607 2.201 0.729 0.919 0.952 0.619 CB 1.724 22 residues pruned to eliminate duplicates Z: 14 18.752 2.017 0.574 0.836 1.000 0.769 CB 1.227 15 residues pruned to eliminate duplicates Z: 9 10.036 2.025 -0.129 0.896 1.000 1.000 CB 1.441 8 residues pruned to eliminate duplicates Z: 48 34.907 2.192 0.574 0.513 0.915 0.574 CB 1.593 52 residues pruned to eliminate duplicates Z: 30 18.901 2.123 0.453 0.450 0.897 0.517 CB 1.336 32 residues pruned to eliminate duplicates Z: 7 10.438 1.966 0.315 0.859 0.833 0.667 CA 1.456 7 residues pruned to eliminate duplicates Z: 21 14.394 1.921 0.392 0.657 0.800 0.600 CB 1.300 21 residues pruned to eliminate duplicates Z: 10 15.175 1.946 0.273 0.889 1.000 0.889 CA 1.470 10 residues pruned to eliminate duplicates Z: 11 10.719 1.998 0.916 0.508 0.900 0.800 CB 0.975 Z: 8 6.183 1.751 0.232 0.857 0.714 0.429 CB 1.118 8 residues pruned to eliminate duplicates Z: 6 7.651 2.068 -0.148 0.862 1.000 0.800 N 1.426 Z: 33 21.222 2.056 0.309 0.608 0.906 0.781 CB 1.388 33 residues pruned to eliminate duplicates Z: 8 11.841 1.844 0.106 0.876 1.000 0.857 CB 1.594 7 residues pruned to eliminate duplicates Z: 15 25.640 2.235 0.373 0.876 1.000 0.929 CA 1.623 15 residues pruned to eliminate duplicates Z: 15 18.643 1.978 0.600 0.865 0.929 0.786 CB 1.242 14 residues pruned to eliminate duplicates Z: 40 17.438 2.154 0.432 0.400 0.821 0.436 CB 1.226 37 residues pruned to eliminate duplicates Z: 8 13.497 2.143 0.257 0.841 1.000 0.571 CB 1.412 8 residues pruned to eliminate duplicates Z: 19 24.991 2.153 0.266 0.899 1.000 0.778 CB 1.544 19 residues pruned to eliminate duplicates Z: 15 25.222 2.143 0.973 0.874 1.000 0.643 CB 1.160 15 residues pruned to eliminate duplicates Z: 16 22.938 2.034 0.495 0.908 1.000 0.733 CB 1.383 15 residues pruned to eliminate duplicates Z: 10 16.439 1.951 0.400 0.914 1.000 0.778 CB 1.420 10 residues pruned to eliminate duplicates Z: 20 18.110 2.078 0.618 0.494 0.842 0.421 CB 1.476 20 residues pruned to eliminate duplicates Z: 13 18.195 2.175 0.127 0.919 1.000 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 41 30.828 2.213 0.564 0.557 0.925 0.575 CB 1.441 41 residues pruned to eliminate duplicates Z: 14 19.235 1.982 0.556 0.855 1.000 0.846 CB 1.276 14 residues pruned to eliminate duplicates Z: 15 16.222 1.914 0.471 0.837 1.000 0.500 CB 1.152 15 residues pruned to eliminate duplicates Z: 22 35.471 2.202 0.790 0.918 0.762 0.524 CB 1.817 22 residues pruned to eliminate duplicates Z: 7 14.643 2.135 0.618 0.881 1.000 0.833 CB 1.254 7 residues pruned to eliminate duplicates Z: 19 27.204 2.221 0.350 0.910 0.944 0.611 CA 1.606 19 residues pruned to eliminate duplicates Z: 20 33.113 2.176 0.677 0.897 0.947 0.474 CB 1.572 20 residues pruned to eliminate duplicates Z: 15 31.093 2.245 0.674 0.871 1.000 0.857 CA 1.613 15 residues pruned to eliminate duplicates Z: 13 22.470 2.140 0.778 0.893 0.917 0.667 CB 1.335 13 residues pruned to eliminate duplicates Z: 15 25.938 2.220 0.596 0.938 1.000 0.929 CB 1.360 15 residues pruned to eliminate duplicates Z: 7 7.925 2.063 0.142 0.850 0.833 0.667 CB 1.220 7 residues pruned to eliminate duplicates Z: 13 16.621 2.037 0.212 0.868 1.000 0.833 CA 1.421 13 residues pruned to eliminate duplicates Z: 6 5.626 1.991 1.031 0.274 0.600 0.600 CB 1.340 6 residues pruned to eliminate duplicates Z: 12 17.202 2.305 0.372 0.445 1.000 0.636 CA 1.736 12 residues pruned to eliminate duplicates Z: 16 19.985 2.030 0.273 0.915 1.000 0.800 CB 1.411 16 residues pruned to eliminate duplicates Z: 14 23.759 2.098 0.786 0.889 0.923 0.538 CB 1.372 15 residues pruned to eliminate duplicates Z: 19 35.107 2.181 0.859 0.898 0.944 0.444 CB 1.546 19 residues pruned to eliminate duplicates Z: 10 11.061 1.917 0.220 0.896 0.889 0.556 CB 1.271 10 residues pruned to eliminate duplicates Z: 66 41.484 2.209 0.656 0.508 0.908 0.538 CB 1.537 66 residues pruned to eliminate duplicates Z: 15 24.818 2.119 0.706 0.917 0.929 0.643 CB 1.395 15 residues pruned to eliminate duplicates Z: 13 31.221 2.298 0.687 0.878 1.000 0.750 CA 1.687 13 residues pruned to eliminate duplicates Z: 13 29.619 2.352 0.852 0.865 1.000 0.750 CA 1.438 13 residues pruned to eliminate duplicates Z: 17 12.479 1.971 0.512 0.502 0.938 0.562 CB 1.114 17 residues pruned to eliminate duplicates Z: 17 9.055 1.806 0.453 0.379 0.875 0.438 CB 1.122 17 residues pruned to eliminate duplicates Z: 10 9.388 1.900 -0.180 0.919 1.000 1.000 CA 1.416 10 residues pruned to eliminate duplicates Z: 15 20.648 2.083 0.562 0.908 1.000 0.929 CB 1.204 15 residues pruned to eliminate duplicates Z: 12 16.715 1.922 0.332 0.892 1.000 1.000 CA 1.414 12 residues pruned to eliminate duplicates Z: 8 9.556 1.962 -0.010 0.843 1.000 0.429 CA 1.384 8 residues pruned to eliminate duplicates Z: 55 39.453 2.188 0.548 0.537 0.926 0.593 CA 1.651 71 residues pruned to eliminate duplicates Z: 92 46.604 2.257 0.610 0.501 0.934 0.495 CB 1.437 90 residues pruned to eliminate duplicates Z: 89 50.837 2.230 0.724 0.551 0.943 0.455 CB 1.422 89 residues pruned to eliminate duplicates Z: 6 13.059 2.240 0.102 0.883 1.000 1.000 CB 1.711 6 residues pruned to eliminate duplicates Z: 46 32.027 2.258 0.643 0.615 0.844 0.578 CB 1.366 46 residues pruned to eliminate duplicates Z: 15 29.776 2.168 0.847 0.935 1.000 0.857 CB 1.385 Z: 59 54.659 2.303 0.858 0.652 0.948 0.534 CB 1.535 59 residues pruned to eliminate duplicates Z: 15 21.031 2.004 0.745 0.877 0.929 0.714 CB 1.257 15 residues pruned to eliminate duplicates Z: 8 4.825 1.885 0.104 0.441 0.714 0.286 CA 1.304 8 residues pruned to eliminate duplicates Z: 15 15.626 2.047 0.061 0.906 1.000 0.786 CB 1.368 15 residues pruned to eliminate duplicates Z: 17 12.577 2.060 0.453 0.514 0.938 0.562 CB 1.106 17 residues pruned to eliminate duplicates Z: 9 4.502 1.768 0.379 0.300 0.750 0.500 CB 1.088 9 residues pruned to eliminate duplicates Z: 7 14.500 2.105 0.388 0.770 1.000 0.667 CA 1.595 7 residues pruned to eliminate duplicates Z: 12 18.286 2.145 0.120 0.929 1.000 0.909 CB 1.606 12 residues pruned to eliminate duplicates Z: 9 13.618 1.984 0.368 0.688 1.000 0.875 CB 1.493 9 residues pruned to eliminate duplicates Z: 14 16.899 1.846 0.537 0.879 1.000 0.692 CB 1.198 14 residues pruned to eliminate duplicates Z: 13 17.393 1.837 0.557 0.883 1.000 0.583 CB 1.270 14 residues pruned to eliminate duplicates Z: 14 29.496 2.259 1.077 0.891 0.923 0.615 CB 1.358 14 residues pruned to eliminate duplicates Z: 40 18.534 2.230 0.296 0.419 0.846 0.513 CB 1.320 40 residues pruned to eliminate duplicates Z: 73 33.019 2.118 0.503 0.452 0.889 0.528 CB 1.445 73 residues pruned to eliminate duplicates Z: 58 40.283 2.199 0.657 0.593 0.912 0.649 CB 1.468 58 residues pruned to eliminate duplicates Z: 16 29.595 2.190 0.888 0.899 1.000 0.667 CB 1.321 16 residues pruned to eliminate duplicates Z: 23 12.600 2.103 0.432 0.405 0.864 0.591 CB 1.142 23 residues pruned to eliminate duplicates Z: 21 13.441 2.184 0.214 0.415 0.900 0.400 CB 1.376 21 residues pruned to eliminate duplicates Z: 34 37.267 2.295 0.718 0.674 0.909 0.636 CB 1.542 34 residues pruned to eliminate duplicates Z: 13 19.364 2.055 0.291 0.905 1.000 0.583 CB 1.500 13 residues pruned to eliminate duplicates Z: 9 8.516 2.133 0.279 0.550 0.875 0.500 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 14.844 1.802 0.577 0.913 0.917 0.500 CB 1.164 13 residues pruned to eliminate duplicates Z: 39 34.667 2.194 0.523 0.575 0.895 0.632 CB 1.750 39 residues pruned to eliminate duplicates Z: 10 11.840 1.918 0.089 0.888 1.000 1.000 CB 1.361 10 residues pruned to eliminate duplicates Z: 13 18.810 2.170 0.713 0.571 0.833 0.500 CA 1.637 13 residues pruned to eliminate duplicates Z: 21 19.943 2.208 0.586 0.598 0.850 0.550 CB 1.365 21 residues pruned to eliminate duplicates Z: 22 14.008 2.221 0.315 0.433 0.905 0.476 CB 1.240 22 residues pruned to eliminate duplicates Z: 11 14.192 1.993 0.785 0.551 1.000 0.700 CB 1.200 11 residues pruned to eliminate duplicates Z: 33 45.021 2.338 0.857 0.702 0.969 0.531 CB 1.575 33 residues pruned to eliminate duplicates Z: 15 24.162 2.069 0.531 0.905 1.000 0.429 CB 1.451 16 residues pruned to eliminate duplicates Z: 10 12.795 1.984 0.177 0.844 1.000 0.667 CB 1.360 10 residues pruned to eliminate duplicates Z: 13 14.370 1.814 0.283 0.880 1.000 0.917 CA 1.292 13 residues pruned to eliminate duplicates Z: 13 14.063 2.076 0.066 0.870 1.000 0.667 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 19.835 1.990 0.470 0.852 1.000 0.583 CB 1.448 13 residues pruned to eliminate duplicates Z: 13 15.343 2.153 0.293 0.554 1.000 0.750 CB 1.510 13 residues pruned to eliminate duplicates Z: 30 18.913 2.228 0.509 0.444 0.828 0.552 CB 1.336 30 residues pruned to eliminate duplicates Z: 6 18.038 2.286 1.107 0.717 0.800 0.600 CB 1.720 6 residues pruned to eliminate duplicates Z: 6 4.220 1.733 -0.268 0.819 1.000 1.000 CB 1.128 6 residues pruned to eliminate duplicates Z: 9 9.649 1.971 0.393 0.838 0.875 0.625 CB 1.062 9 residues pruned to eliminate duplicates Z: 13 17.668 1.858 0.393 0.909 1.000 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 29 31.536 2.192 0.559 0.652 0.893 0.571 CA 1.695 29 residues pruned to eliminate duplicates Z: 22 46.360 2.255 0.807 0.900 0.952 0.571 CB 1.862 22 residues pruned to eliminate duplicates Z: 6 6.401 1.804 0.484 0.557 1.000 0.600 CB 1.012 5 residues pruned to eliminate duplicates Z: 6 8.770 2.010 0.396 0.665 1.000 0.600 CA 1.200 6 residues pruned to eliminate duplicates Z: 7 9.078 1.895 0.348 0.841 0.833 0.667 CB 1.298 7 residues pruned to eliminate duplicates Z: 6 8.671 2.071 0.273 0.787 1.000 0.600 CB 1.143 6 residues pruned to eliminate duplicates Z: 40 35.140 2.299 0.699 0.513 0.872 0.538 CB 1.631 40 residues pruned to eliminate duplicates Z: 11 16.545 1.907 0.701 0.682 0.900 0.800 CB 1.516 11 residues pruned to eliminate duplicates Z: 17 25.936 2.104 0.662 0.858 0.938 0.562 CB 1.456 17 residues pruned to eliminate duplicates Z: 13 19.865 2.059 0.400 0.878 1.000 0.500 CA 1.443 13 residues pruned to eliminate duplicates Z: 8 19.307 2.113 0.740 0.809 1.000 0.857 CA 1.516 8 residues pruned to eliminate duplicates Z: 15 9.867 1.808 0.581 0.787 0.786 0.643 CB 0.912 15 residues pruned to eliminate duplicates Z: 7 12.588 1.935 0.387 0.870 1.000 0.833 CB 1.397 7 residues pruned to eliminate duplicates Z: 13 20.055 2.063 0.469 0.889 1.000 0.583 CB 1.376 13 residues pruned to eliminate duplicates Z: 9 7.304 1.849 -0.035 0.814 0.875 0.625 CB 1.259 9 residues pruned to eliminate duplicates Z: 23 19.299 1.978 0.567 0.678 0.955 0.545 CB 1.181 23 residues pruned to eliminate duplicates Z: 13 14.685 1.842 0.357 0.878 1.000 0.750 CB 1.231 13 residues pruned to eliminate duplicates Z: 8 12.060 2.074 0.586 0.725 1.000 0.857 CB 1.132 8 residues pruned to eliminate duplicates Z: 10 15.222 2.005 0.778 0.460 1.000 0.778 CB 1.482 11 residues pruned to eliminate duplicates Z: 33 24.983 2.046 0.615 0.652 0.844 0.469 CB 1.376 33 residues pruned to eliminate duplicates Z: 10 14.850 2.193 0.373 0.817 1.000 0.778 CB 1.249 10 residues pruned to eliminate duplicates Z: 11 9.786 1.893 0.214 0.777 0.900 0.600 CB 1.172 11 residues pruned to eliminate duplicates Z: 11 12.204 1.890 0.229 0.748 0.900 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 36 28.511 2.188 0.539 0.617 0.857 0.571 CB 1.495 36 residues pruned to eliminate duplicates Z: 14 15.968 2.004 0.199 0.890 0.923 0.615 CB 1.436 14 residues pruned to eliminate duplicates Z: 18 13.482 1.990 0.568 0.458 0.824 0.647 CB 1.328 18 residues pruned to eliminate duplicates Z: 39 32.568 2.251 0.743 0.488 0.842 0.658 CB 1.617 39 residues pruned to eliminate duplicates Z: 6 12.316 1.919 0.663 0.671 1.000 0.800 CB 1.474 6 residues pruned to eliminate duplicates Z: 9 10.568 1.894 0.239 0.741 1.000 0.875 CB 1.284 9 residues pruned to eliminate duplicates Z: 15 24.671 2.174 0.968 0.895 0.929 0.500 CB 1.190 15 residues pruned to eliminate duplicates Z: 20 14.412 2.119 0.297 0.434 1.000 0.421 CB 1.287 20 residues pruned to eliminate duplicates Z: 21 41.456 2.278 0.569 0.930 1.000 0.850 CA 1.813 21 residues pruned to eliminate duplicates Z: 7 10.322 1.787 0.516 0.815 1.000 0.833 CB 1.183 7 residues pruned to eliminate duplicates Z: 14 37.560 2.375 0.978 0.925 1.000 0.692 CB 1.556 14 residues pruned to eliminate duplicates Z: 21 49.092 2.315 0.889 0.902 0.950 0.600 CA 1.885 21 residues pruned to eliminate duplicates Z: 15 17.860 1.949 0.304 0.889 1.000 0.929 CB 1.353 14 residues pruned to eliminate duplicates Z: 15 14.996 2.023 0.147 0.905 1.000 1.000 CB 1.228 15 residues pruned to eliminate duplicates Z: 14 18.267 1.994 0.397 0.850 1.000 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 10 13.421 2.141 0.536 0.561 0.889 0.667 CA 1.442 10 residues pruned to eliminate duplicates Z: 6 5.520 1.789 -0.165 0.863 1.000 1.000 CA 1.213 6 residues pruned to eliminate duplicates Z: 35 38.075 2.277 0.541 0.674 0.941 0.559 CB 1.685 35 residues pruned to eliminate duplicates Z: 7 8.570 1.975 0.008 0.777 0.833 0.333 CB 1.652 7 residues pruned to eliminate duplicates Z: 10 11.667 1.849 0.196 0.850 0.889 0.778 CB 1.465 10 residues pruned to eliminate duplicates Z: 9 11.089 1.913 0.210 0.870 0.875 0.625 CA 1.413 9 residues pruned to eliminate duplicates Z: 72 52.157 2.260 0.718 0.619 0.944 0.507 CB 1.510 72 residues pruned to eliminate duplicates Z: 9 9.059 1.844 0.463 0.813 0.875 0.750 CB 1.034 9 residues pruned to eliminate duplicates Z: 28 40.236 2.245 0.890 0.758 0.926 0.407 CB 1.567 29 residues pruned to eliminate duplicates Z: 15 14.685 1.989 0.262 0.700 0.929 0.571 CB 1.403 15 residues pruned to eliminate duplicates Z: 12 12.850 2.014 0.235 0.669 0.909 0.727 CA 1.465 12 residues pruned to eliminate duplicates Z: 21 38.377 2.238 0.773 0.940 0.800 0.350 CB 1.876 21 residues pruned to eliminate duplicates Z: 65 32.919 2.248 0.504 0.499 0.875 0.609 CB 1.392 65 residues pruned to eliminate duplicates Z: 14 25.604 2.388 0.502 0.830 1.000 0.615 CB 1.488 14 residues pruned to eliminate duplicates Z: 39 32.994 2.153 0.671 0.625 0.868 0.421 CB 1.523 39 residues pruned to eliminate duplicates Z: 9 14.959 1.963 0.419 0.827 1.000 1.000 CB 1.431 9 residues pruned to eliminate duplicates Z: 12 24.377 2.311 0.631 0.627 1.000 0.545 CA 1.730 12 residues pruned to eliminate duplicates Z: 13 15.471 1.842 0.385 0.917 1.000 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 8 14.948 1.743 0.762 0.870 1.000 0.571 CB 1.343 8 residues pruned to eliminate duplicates Z: 34 34.590 2.280 0.511 0.648 0.909 0.758 CA 1.676 34 residues pruned to eliminate duplicates Z: 14 10.346 1.847 0.392 0.651 0.846 0.846 CB 1.146 14 residues pruned to eliminate duplicates Z: 12 21.071 2.293 0.551 0.579 0.909 0.727 CB 1.821 12 residues pruned to eliminate duplicates Z: 30 26.907 2.019 0.661 0.638 0.897 0.448 CB 1.461 30 residues pruned to eliminate duplicates Z: 6 3.814 1.460 -0.118 0.630 1.000 0.400 CB 1.172 Z: 13 5.109 1.657 -0.097 0.327 1.000 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 11 12.942 1.664 0.379 0.924 1.000 1.000 CB 1.252 11 residues pruned to eliminate duplicates Z: 17 24.214 2.149 0.631 0.529 0.938 0.562 CB 1.791 23 residues pruned to eliminate duplicates Z: 14 19.416 2.224 0.277 0.913 0.923 0.846 CB 1.454 14 residues pruned to eliminate duplicates Z: 27 20.470 2.244 0.381 0.423 0.962 0.538 CB 1.460 27 residues pruned to eliminate duplicates Z: 23 38.224 2.336 0.639 0.847 0.909 0.636 CB 1.738 23 residues pruned to eliminate duplicates Z: 8 11.417 1.790 0.290 0.882 1.000 0.857 CB 1.352 8 residues pruned to eliminate duplicates Z: 14 22.751 2.196 0.597 0.843 0.923 0.846 CB 1.452 14 residues pruned to eliminate duplicates Z: 14 16.384 1.982 0.354 0.824 1.000 0.846 CB 1.278 14 residues pruned to eliminate duplicates Z: 24 14.994 2.244 0.284 0.374 1.000 0.435 CB 1.241 24 residues pruned to eliminate duplicates Z: 21 37.255 2.222 0.444 0.920 1.000 0.850 CA 1.829 21 residues pruned to eliminate duplicates Z: 13 10.307 2.114 0.505 0.527 0.833 0.667 CB 1.093 13 residues pruned to eliminate duplicates Z: 25 24.507 2.257 0.520 0.632 0.833 0.667 CB 1.545 25 residues pruned to eliminate duplicates Z: 14 29.142 2.348 0.632 0.910 1.000 0.615 CB 1.496 15 residues pruned to eliminate duplicates Z: 77 45.830 2.219 0.624 0.581 0.921 0.632 CB 1.465 77 residues pruned to eliminate duplicates Z: 17 15.435 1.971 0.335 0.691 0.938 0.688 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 12.227 1.624 0.280 0.839 1.000 0.600 CA 1.389 11 residues pruned to eliminate duplicates Z: 8 11.677 1.927 0.466 0.724 0.857 0.429 CB 1.489 8 residues pruned to eliminate duplicates Z: 62 36.215 2.228 0.558 0.515 0.885 0.443 CB 1.488 62 residues pruned to eliminate duplicates Z: 8 6.188 1.869 0.112 0.478 0.857 0.429 CB 1.343 Z: 7 9.177 2.027 0.381 0.427 1.000 0.833 CB 1.445 7 residues pruned to eliminate duplicates Z: 12 15.595 1.727 0.555 0.880 1.000 0.818 CB 1.268 12 residues pruned to eliminate duplicates Z: 12 21.538 2.137 0.780 0.506 1.000 0.545 CB 1.697 12 residues pruned to eliminate duplicates Z: 6 2.814 1.270 -0.048 0.638 1.000 0.600 CB 0.914 6 residues pruned to eliminate duplicates Z: 13 21.299 2.351 0.443 0.868 0.917 0.750 CB 1.446 13 residues pruned to eliminate duplicates Z: 15 20.844 2.169 0.226 0.886 1.000 0.857 CB 1.512 14 residues pruned to eliminate duplicates Z: 15 9.698 2.050 0.190 0.374 0.929 0.571 CB 1.309 15 residues pruned to eliminate duplicates Z: 7 7.075 1.577 0.105 0.833 1.000 1.000 CA 1.244 6 residues pruned to eliminate duplicates Z: 17 24.864 2.168 0.547 0.813 0.938 0.750 CA 1.505 17 residues pruned to eliminate duplicates Z: 6 2.636 1.218 0.269 0.484 1.000 0.600 N 0.775 Z: 15 18.631 2.082 0.373 0.873 0.929 0.571 CB 1.366 15 residues pruned to eliminate duplicates Z: 7 6.435 1.639 0.313 0.762 1.000 0.833 CB 0.967 Z: 13 15.931 1.858 0.391 0.891 1.000 0.667 CB 1.280 12 residues pruned to eliminate duplicates Z: 42 25.070 2.105 0.411 0.538 0.902 0.585 CB 1.407 42 residues pruned to eliminate duplicates Z: 11 12.903 2.012 0.353 0.601 1.000 0.800 CA 1.361 11 residues pruned to eliminate duplicates Z: 15 28.231 2.230 0.720 0.849 0.929 0.429 CB 1.570 15 residues pruned to eliminate duplicates Z: 19 27.816 2.214 0.328 0.898 1.000 0.667 CA 1.596 19 residues pruned to eliminate duplicates Z: 10 13.870 1.929 0.903 0.796 0.889 0.333 CB 1.093 10 residues pruned to eliminate duplicates Z: 16 23.747 2.137 0.501 0.859 0.933 0.467 CB 1.506 16 residues pruned to eliminate duplicates Z: 19 17.767 1.963 0.677 0.507 0.944 0.778 CB 1.338 18 residues pruned to eliminate duplicates Z: 10 7.695 2.234 0.068 0.407 0.778 0.556 CB 1.524 10 residues pruned to eliminate duplicates Z: 29 11.911 2.051 0.196 0.287 0.857 0.643 CB 1.359 29 residues pruned to eliminate duplicates Z: 6 2.271 1.647 0.258 0.100 0.800 0.400 CB 1.021 6 residues pruned to eliminate duplicates Z: 6 3.673 1.512 0.192 0.754 0.800 0.800 CA 0.908 6 residues pruned to eliminate duplicates Z: 11 5.986 1.644 0.649 0.422 0.900 0.600 CB 0.841 11 residues pruned to eliminate duplicates Z: 11 8.677 1.876 0.205 0.427 0.900 0.600 CB 1.455 9 residues pruned to eliminate duplicates Z: 9 11.029 1.808 0.365 0.869 0.875 0.875 CB 1.319 9 residues pruned to eliminate duplicates Z: 14 8.717 2.014 -0.046 0.392 1.000 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 26 31.650 2.228 0.528 0.602 0.960 0.760 CB 1.758 26 residues pruned to eliminate duplicates Z: 12 7.434 1.886 0.188 0.498 0.818 0.636 CA 1.226 12 residues pruned to eliminate duplicates Z: 10 4.790 1.835 -0.116 0.603 0.889 0.556 CB 1.005 10 residues pruned to eliminate duplicates Z: 8 8.337 1.665 0.086 0.831 1.000 0.857 O 1.310 8 residues pruned to eliminate duplicates Z: 6 3.608 1.439 0.404 0.648 1.000 0.800 CB 0.696 6 residues pruned to eliminate duplicates Z: 38 27.216 2.165 0.438 0.579 0.946 0.649 CB 1.407 38 residues pruned to eliminate duplicates Z: 6 19.226 2.065 0.813 0.852 1.000 0.800 CB 1.698 6 residues pruned to eliminate duplicates Z: 15 22.206 2.222 0.719 0.867 0.929 0.857 CB 1.224 15 residues pruned to eliminate duplicates Z: 15 20.138 1.951 0.701 0.834 0.929 0.786 CB 1.309 15 residues pruned to eliminate duplicates Z: 17 22.531 2.010 0.518 0.804 1.000 0.688 CA 1.416 17 residues pruned to eliminate duplicates Z: 6 4.474 1.467 0.302 0.743 0.800 0.800 C 1.054 6 residues pruned to eliminate duplicates Z: 6 7.155 1.744 0.243 0.831 1.000 1.000 CA 1.108 6 residues pruned to eliminate duplicates Z: 14 36.164 2.333 0.816 0.869 1.000 0.462 CA 1.729 14 residues pruned to eliminate duplicates Z: 16 17.906 1.971 0.443 0.746 1.000 0.667 CB 1.304 23 residues pruned to eliminate duplicates Z: 9 9.453 2.037 0.489 0.470 1.000 0.500 CB 1.136 9 residues pruned to eliminate duplicates Z: 9 11.599 1.933 0.881 0.564 1.000 0.750 CB 1.060 9 residues pruned to eliminate duplicates Z: 11 5.328 1.890 0.287 0.296 0.800 0.600 CB 1.087 11 residues pruned to eliminate duplicates Z: 9 6.712 1.951 0.499 0.781 0.625 0.625 CB 1.014 9 residues pruned to eliminate duplicates Z: 12 15.033 1.921 0.797 0.476 1.000 0.727 CB 1.345 11 residues pruned to eliminate duplicates Z: 6 2.547 1.286 0.201 0.634 1.000 0.600 N 0.651 6 residues pruned to eliminate duplicates Z: 17 29.094 2.324 0.586 0.901 0.875 0.312 CB 1.611 17 residues pruned to eliminate duplicates Z: 122 49.792 2.259 0.489 0.553 0.868 0.570 CB 1.472 122 residues pruned to eliminate duplicates Z: 15 21.184 2.218 0.290 0.819 1.000 0.786 CB 1.500 15 residues pruned to eliminate duplicates Z: 14 10.981 1.968 0.169 0.876 0.923 0.692 CB 1.042 15 residues pruned to eliminate duplicates Z: 40 22.711 2.233 0.470 0.438 0.872 0.385 CB 1.354 40 residues pruned to eliminate duplicates Z: 16 26.602 2.169 0.503 0.858 1.000 0.600 CA 1.552 16 residues pruned to eliminate duplicates Z: 28 39.833 2.357 0.731 0.643 0.926 0.630 CB 1.776 28 residues pruned to eliminate duplicates Z: 18 16.063 1.947 0.455 0.596 0.824 0.353 CB 1.524 18 residues pruned to eliminate duplicates Z: 13 14.431 2.058 0.034 0.916 1.000 0.833 CB 1.382 13 residues pruned to eliminate duplicates Z: 14 7.150 2.026 0.051 0.274 0.846 0.538 CB 1.421 14 residues pruned to eliminate duplicates Z: 13 19.626 2.072 0.367 0.900 1.000 0.417 CB 1.429 13 residues pruned to eliminate duplicates Z: 14 15.458 1.994 0.226 0.728 1.000 0.769 CB 1.428 14 residues pruned to eliminate duplicates Z: 10 11.011 1.859 0.288 0.886 0.889 0.444 CB 1.245 10 residues pruned to eliminate duplicates Z: 13 34.251 2.240 1.018 0.924 1.000 0.667 CA 1.536 13 residues pruned to eliminate duplicates Z: 8 8.708 1.991 0.491 0.438 0.857 0.571 CB 1.380 8 residues pruned to eliminate duplicates Z: 14 13.239 2.267 0.299 0.343 0.923 0.462 CB 1.602 14 residues pruned to eliminate duplicates Z: 41 31.058 2.249 0.424 0.539 0.950 0.450 CB 1.554 41 residues pruned to eliminate duplicates Z: 43 40.600 2.259 0.699 0.614 0.952 0.690 CB 1.539 43 residues pruned to eliminate duplicates Z: 78 47.861 2.188 0.749 0.600 0.909 0.481 CB 1.426 78 residues pruned to eliminate duplicates Z: 17 13.619 2.004 0.409 0.488 0.875 0.500 CB 1.394 15 residues pruned to eliminate duplicates Z: 25 18.858 2.095 0.557 0.413 0.917 0.667 CB 1.410 25 residues pruned to eliminate duplicates Z: 39 33.041 2.213 0.477 0.579 0.895 0.658 CA 1.698 39 residues pruned to eliminate duplicates Z: 7 13.895 1.915 0.727 0.821 0.833 0.500 CA 1.558 7 residues pruned to eliminate duplicates Z: 9 13.624 1.891 0.432 0.868 1.000 0.750 CB 1.300 9 residues pruned to eliminate duplicates Z: 15 21.004 2.049 0.548 0.934 1.000 0.571 CB 1.234 15 residues pruned to eliminate duplicates Z: 21 25.712 2.160 0.672 0.563 1.000 0.650 CA 1.497 21 residues pruned to eliminate duplicates Z: 17 22.204 2.138 0.335 0.861 0.938 0.562 CB 1.525 17 residues pruned to eliminate duplicates Z: 7 21.437 2.211 0.635 0.890 1.000 1.000 CB 1.743 7 residues pruned to eliminate duplicates Z: 39 36.971 2.234 0.570 0.583 0.895 0.632 CA 1.765 39 residues pruned to eliminate duplicates Z: 21 20.486 1.970 0.504 0.634 0.900 0.550 CA 1.514 21 residues pruned to eliminate duplicates Z: 16 18.008 1.896 0.793 0.533 0.933 0.533 CB 1.419 16 residues pruned to eliminate duplicates Z: 7 3.772 1.645 0.032 0.390 1.000 0.333 CB 1.020 7 residues pruned to eliminate duplicates Z: 8 14.564 2.341 0.310 0.726 0.857 0.714 CB 1.708 8 residues pruned to eliminate duplicates Z: 15 25.322 2.192 0.504 0.847 0.929 0.786 CB 1.641 15 residues pruned to eliminate duplicates Z: 10 12.844 2.310 0.461 0.538 0.889 0.778 CB 1.376 10 residues pruned to eliminate duplicates Z: 23 26.259 2.170 0.562 0.586 0.955 0.545 CA 1.593 23 residues pruned to eliminate duplicates Z: 15 10.772 1.753 0.524 0.438 0.929 0.500 CB 1.238 15 residues pruned to eliminate duplicates Z: 12 11.268 1.761 0.583 0.603 0.818 0.455 CB 1.350 Using tripeptides from previous cycle as seeds Z: 7 4.103 1.786 0.299 0.415 0.833 0.500 CA 0.947 7 residues pruned to eliminate duplicates Z: 25 38.884 2.411 0.615 0.659 0.917 0.583 CA 1.919 25 residues pruned to eliminate duplicates Z: 37 32.548 2.281 0.438 0.567 0.944 0.583 CA 1.641 37 residues pruned to eliminate duplicates Z: 39 33.514 2.241 0.503 0.569 0.921 0.605 CA 1.640 39 residues pruned to eliminate duplicates Z: 34 25.283 2.122 0.581 0.424 0.909 0.545 CB 1.562 34 residues pruned to eliminate duplicates Z: 30 36.068 2.285 0.556 0.584 0.966 0.724 CB 1.800 30 residues pruned to eliminate duplicates Z: 57 39.959 2.239 0.685 0.544 0.875 0.554 CB 1.550 57 residues pruned to eliminate duplicates Z: 44 36.562 2.177 0.539 0.630 0.930 0.651 CB 1.583 44 residues pruned to eliminate duplicates Z: 28 33.313 2.291 0.644 0.600 0.852 0.667 CA 1.817 28 residues pruned to eliminate duplicates Z: 57 35.835 2.152 0.468 0.582 0.929 0.571 CB 1.508 57 residues pruned to eliminate duplicates Z: 39 38.710 2.255 0.700 0.543 0.947 0.579 CA 1.658 39 residues pruned to eliminate duplicates Z: 38 34.409 2.280 0.505 0.560 0.919 0.568 CA 1.692 38 residues pruned to eliminate duplicates Z: 39 32.109 2.155 0.638 0.523 0.895 0.632 CA 1.612 39 residues pruned to eliminate duplicates Z: 47 40.670 2.220 0.752 0.588 0.891 0.543 CB 1.591 47 residues pruned to eliminate duplicates Z: 56 43.002 2.150 0.549 0.601 1.000 0.564 CB 1.582 65 residues pruned to eliminate duplicates Z: 16 27.588 2.181 0.676 0.857 1.000 0.200 CA 1.436 16 residues pruned to eliminate duplicates Z: 29 37.932 2.293 0.562 0.632 0.964 0.786 CB 1.834 29 residues pruned to eliminate duplicates Z: 58 35.343 2.078 0.532 0.563 0.930 0.544 CB 1.488 58 residues pruned to eliminate duplicates Z: 45 36.274 2.204 0.485 0.605 0.932 0.500 CB 1.623 45 residues pruned to eliminate duplicates Z: 39 38.299 2.234 0.622 0.576 0.947 0.632 CA 1.682 39 residues pruned to eliminate duplicates Z: 12 12.131 1.867 0.768 0.532 0.909 0.455 CB 1.182 12 residues pruned to eliminate duplicates Z: 11 12.999 1.908 0.595 0.618 1.000 0.600 CB 1.208 11 residues pruned to eliminate duplicates Z: 11 10.599 1.893 0.620 0.625 0.900 0.600 CB 1.079 11 residues pruned to eliminate duplicates Z: 27 30.748 2.106 0.754 0.567 0.923 0.500 CA 1.657 27 residues pruned to eliminate duplicates Z: 14 12.424 1.734 0.710 0.419 0.923 0.462 CB 1.371 14 residues pruned to eliminate duplicates Z: 9 14.951 2.038 0.775 0.558 0.875 0.750 CB 1.579 9 residues pruned to eliminate duplicates Z: 18 11.036 2.038 0.143 0.434 0.882 0.529 CB 1.393 18 residues pruned to eliminate duplicates Z: 17 10.765 2.096 0.241 0.412 0.875 0.562 CB 1.296 17 residues pruned to eliminate duplicates Z: 17 13.249 2.096 0.122 0.547 0.938 0.625 CB 1.435 17 residues pruned to eliminate duplicates Z: 10 9.593 1.838 0.188 0.800 0.889 0.778 CB 1.268 10 residues pruned to eliminate duplicates Z: 17 11.117 2.051 0.057 0.488 0.938 0.625 CB 1.384 17 residues pruned to eliminate duplicates Z: 15 14.530 2.152 0.258 0.480 1.000 0.786 CB 1.464 16 residues pruned to eliminate duplicates Z: 13 15.184 1.920 0.350 0.663 1.000 0.750 CA 1.454 12 residues pruned to eliminate duplicates Z: 7 6.785 1.744 0.360 0.517 1.000 0.667 CA 1.148 7 residues pruned to eliminate duplicates Z: 16 15.730 2.218 0.394 0.446 0.933 0.800 CB 1.488 16 residues pruned to eliminate duplicates Z: 16 16.364 2.192 0.379 0.445 1.000 0.733 CB 1.479 16 residues pruned to eliminate duplicates Z: 16 14.915 2.040 0.524 0.572 0.867 0.467 CB 1.333 16 residues pruned to eliminate duplicates Z: 15 15.040 2.154 0.447 0.477 0.857 0.786 CB 1.541 15 residues pruned to eliminate duplicates Z: 29 33.507 2.171 0.766 0.695 0.929 0.393 CB 1.489 29 residues pruned to eliminate duplicates Z: 26 24.265 2.162 0.518 0.632 0.880 0.600 CB 1.485 26 residues pruned to eliminate duplicates Z: 8 14.596 2.293 0.385 0.447 1.000 0.714 CA 1.834 8 residues pruned to eliminate duplicates Z: 29 34.455 2.187 0.786 0.704 0.893 0.607 CB 1.551 29 residues pruned to eliminate duplicates Z: 10 10.633 1.999 0.711 0.357 0.889 0.333 CA 1.361 10 residues pruned to eliminate duplicates Z: 10 4.969 1.739 0.228 0.473 0.667 0.444 CB 1.196 10 residues pruned to eliminate duplicates Z: 6 6.599 1.983 0.244 0.461 0.800 0.400 CA 1.557 6 residues pruned to eliminate duplicates Z: 8 7.390 1.965 0.264 0.489 0.857 0.286 N 1.327 10 residues pruned to eliminate duplicates Z: 7 10.054 1.912 0.342 0.812 1.000 0.500 CB 1.219 7 residues pruned to eliminate duplicates Z: 6 11.360 2.113 0.268 0.839 1.000 0.600 CB 1.415 6 residues pruned to eliminate duplicates Z: 11 10.910 1.663 0.334 0.873 1.000 0.600 CB 1.132 7 residues pruned to eliminate duplicates Z: 7 10.811 1.823 0.665 0.783 1.000 0.667 CB 1.134 7 residues pruned to eliminate duplicates Z: 33 42.222 2.373 0.623 0.671 0.938 0.625 CB 1.766 33 residues pruned to eliminate duplicates Z: 64 44.155 2.296 0.475 0.640 0.921 0.683 CB 1.566 64 residues pruned to eliminate duplicates Z: 36 34.414 2.300 0.490 0.662 0.886 0.657 CB 1.649 36 residues pruned to eliminate duplicates Z: 33 42.106 2.386 0.580 0.692 0.938 0.656 CB 1.767 33 residues pruned to eliminate duplicates Z: 35 31.231 2.266 0.533 0.691 0.853 0.559 CB 1.518 35 residues pruned to eliminate duplicates Z: 34 36.273 2.342 0.603 0.670 0.848 0.545 CB 1.694 34 residues pruned to eliminate duplicates Z: 33 35.913 2.340 0.507 0.664 0.906 0.500 CB 1.707 33 residues pruned to eliminate duplicates Z: 34 33.660 2.292 0.493 0.664 0.879 0.576 CB 1.675 34 residues pruned to eliminate duplicates Z: 64 53.069 2.294 0.651 0.640 0.968 0.508 CB 1.600 64 residues pruned to eliminate duplicates Z: 33 34.296 2.327 0.525 0.699 0.906 0.531 CB 1.572 33 residues pruned to eliminate duplicates Z: 39 37.501 2.219 0.709 0.644 0.868 0.500 CB 1.614 39 residues pruned to eliminate duplicates Z: 66 47.091 2.279 0.510 0.620 0.954 0.538 CB 1.589 66 residues pruned to eliminate duplicates Z: 83 42.992 2.200 0.472 0.565 0.927 0.512 CB 1.486 83 residues pruned to eliminate duplicates Z: 20 35.156 2.255 0.789 0.883 0.895 0.263 CB 1.616 20 residues pruned to eliminate duplicates Z: 85 45.533 2.225 0.506 0.554 0.929 0.548 CB 1.515 85 residues pruned to eliminate duplicates Z: 37 37.759 2.282 0.624 0.620 0.889 0.528 CB 1.707 37 residues pruned to eliminate duplicates Z: 67 43.075 2.235 0.507 0.598 0.939 0.591 CB 1.526 67 residues pruned to eliminate duplicates Z: 23 41.681 2.321 0.787 0.821 0.909 0.636 CA 1.785 23 residues pruned to eliminate duplicates Z: 26 33.670 2.098 0.860 0.785 0.880 0.560 CB 1.526 26 residues pruned to eliminate duplicates Z: 25 40.157 2.197 0.833 0.775 0.917 0.583 CB 1.742 25 residues pruned to eliminate duplicates Z: 14 18.111 2.108 0.722 0.553 0.846 0.462 CA 1.554 14 residues pruned to eliminate duplicates Z: 14 16.290 2.067 0.552 0.510 0.923 0.538 CB 1.511 14 residues pruned to eliminate duplicates Z: 13 16.919 2.205 0.564 0.523 0.833 0.500 CA 1.661 13 residues pruned to eliminate duplicates Z: 16 18.458 2.073 0.674 0.505 0.867 0.467 CB 1.576 16 residues pruned to eliminate duplicates Z: 14 19.686 2.111 0.823 0.455 0.846 0.385 CA 1.756 14 residues pruned to eliminate duplicates Z: 12 26.350 2.325 0.889 0.554 1.000 0.455 CA 1.716 12 residues pruned to eliminate duplicates Z: 11 20.556 2.371 0.739 0.526 0.900 0.600 CB 1.708 11 residues pruned to eliminate duplicates Z: 19 15.878 2.058 0.401 0.497 0.889 0.556 CB 1.464 19 residues pruned to eliminate duplicates Z: 14 15.623 2.075 0.643 0.453 0.846 0.385 CB 1.575 14 residues pruned to eliminate duplicates Z: 20 15.242 1.981 0.505 0.507 0.842 0.526 CB 1.383 20 residues pruned to eliminate duplicates Z: 10 24.199 2.328 0.427 0.914 1.000 0.778 CA 1.718 10 residues pruned to eliminate duplicates Z: 22 22.844 2.053 0.319 0.802 0.952 0.714 CB 1.485 22 residues pruned to eliminate duplicates Z: 24 24.497 2.187 0.415 0.773 0.870 0.739 CB 1.491 24 residues pruned to eliminate duplicates Z: 28 28.619 2.213 0.372 0.698 0.963 0.593 CA 1.573 28 residues pruned to eliminate duplicates Z: 19 23.060 2.287 0.302 0.824 0.889 0.500 CA 1.551 19 residues pruned to eliminate duplicates Z: 29 29.229 2.229 0.353 0.719 0.929 0.571 CB 1.618 29 residues pruned to eliminate duplicates Z: 12 16.516 2.224 0.301 0.825 0.818 0.364 CB 1.587 12 residues pruned to eliminate duplicates Z: 29 33.158 2.219 0.522 0.733 0.929 0.679 CB 1.620 29 residues pruned to eliminate duplicates Z: 20 27.067 2.151 0.372 0.831 1.000 0.684 CA 1.581 20 residues pruned to eliminate duplicates Z: 26 33.573 2.333 0.451 0.749 0.920 0.640 CB 1.725 26 residues pruned to eliminate duplicates Z: 18 20.656 2.202 0.399 0.547 1.000 0.647 CB 1.553 18 residues pruned to eliminate duplicates Z: 26 24.479 1.992 0.478 0.663 0.960 0.480 CB 1.489 26 residues pruned to eliminate duplicates Z: 32 29.842 2.091 0.555 0.653 0.935 0.548 CB 1.529 28 residues pruned to eliminate duplicates Z: 13 20.401 2.211 0.628 0.848 0.833 0.417 CB 1.456 13 residues pruned to eliminate duplicates Z: 29 26.446 2.114 0.775 0.624 0.821 0.429 CB 1.443 29 residues pruned to eliminate duplicates Z: 30 31.626 2.157 0.703 0.693 0.897 0.414 CB 1.494 30 residues pruned to eliminate duplicates Z: 24 28.765 2.066 0.825 0.735 0.913 0.565 CB 1.411 24 residues pruned to eliminate duplicates Z: 14 18.217 2.033 0.646 0.768 0.923 0.769 CB 1.290 14 residues pruned to eliminate duplicates Z: 13 18.199 2.090 0.607 0.813 0.917 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 16 17.949 2.019 0.470 0.723 1.000 0.733 CB 1.277 13 residues pruned to eliminate duplicates Z: 13 19.385 2.157 0.514 0.845 0.917 0.750 CB 1.390 13 residues pruned to eliminate duplicates Z: 14 15.322 2.022 0.572 0.745 0.923 0.692 CB 1.164 14 residues pruned to eliminate duplicates Z: 16 18.260 2.079 0.754 0.661 0.933 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 29 21.050 1.848 0.705 0.654 0.964 0.643 CB 1.135 34 residues pruned to eliminate duplicates Z: 14 22.009 2.047 0.763 0.869 1.000 0.385 CB 1.236 14 residues pruned to eliminate duplicates Z: 15 17.100 2.004 0.709 0.712 0.929 0.500 CB 1.186 15 residues pruned to eliminate duplicates Z: 16 17.590 2.027 0.690 0.665 1.000 0.667 CB 1.138 16 residues pruned to eliminate duplicates Z: 15 19.582 2.046 0.667 0.781 1.000 0.714 CB 1.198 15 residues pruned to eliminate duplicates Z: 19 25.298 2.266 0.673 0.538 1.000 0.500 CB 1.515 23 residues pruned to eliminate duplicates Z: 6 6.999 1.669 0.449 0.484 1.000 0.600 CA 1.314 5 residues pruned to eliminate duplicates Z: 6 3.908 1.887 0.169 0.432 0.800 0.200 CA 1.063 6 residues pruned to eliminate duplicates Z: 17 18.713 2.386 0.306 0.490 0.875 0.688 CA 1.731 17 residues pruned to eliminate duplicates Z: 20 19.871 2.224 0.343 0.485 0.947 0.526 CA 1.635 20 residues pruned to eliminate duplicates Z: 20 17.691 2.219 0.253 0.481 0.947 0.526 CB 1.569 20 residues pruned to eliminate duplicates Z: 19 16.679 2.281 0.357 0.461 0.833 0.556 CA 1.585 19 residues pruned to eliminate duplicates Z: 18 18.486 2.308 0.292 0.485 0.941 0.529 CB 1.622 18 residues pruned to eliminate duplicates Z: 16 18.806 2.390 0.416 0.498 0.867 0.467 CB 1.659 16 residues pruned to eliminate duplicates Z: 19 16.358 2.270 0.319 0.455 0.833 0.444 CB 1.618 19 residues pruned to eliminate duplicates Z: 20 17.773 2.181 0.335 0.469 0.947 0.526 CB 1.525 20 residues pruned to eliminate duplicates Z: 24 17.396 2.102 0.507 0.424 0.870 0.565 CB 1.425 24 residues pruned to eliminate duplicates Z: 17 20.429 2.303 0.487 0.512 0.875 0.562 CB 1.683 17 residues pruned to eliminate duplicates Z: 20 20.052 2.258 0.536 0.470 0.842 0.368 CB 1.624 20 residues pruned to eliminate duplicates Z: 19 20.329 2.165 0.397 0.563 0.889 0.611 CB 1.676 19 residues pruned to eliminate duplicates Z: 34 26.874 2.000 0.375 0.697 0.970 0.636 CB 1.465 34 residues pruned to eliminate duplicates Z: 16 12.148 1.937 0.115 0.668 1.000 0.867 CB 1.244 16 residues pruned to eliminate duplicates Z: 14 15.348 2.029 0.183 0.758 1.000 0.769 CA 1.410 14 residues pruned to eliminate duplicates Z: 14 16.212 2.001 0.318 0.739 1.000 0.692 CB 1.376 14 residues pruned to eliminate duplicates Z: 14 17.622 2.089 0.340 0.751 1.000 0.692 CB 1.396 14 residues pruned to eliminate duplicates Z: 32 19.611 1.965 0.203 0.624 0.935 0.742 CB 1.417 32 residues pruned to eliminate duplicates Z: 14 18.003 2.075 0.297 0.758 1.000 0.538 CB 1.475 14 residues pruned to eliminate duplicates Z: 15 17.154 2.005 0.402 0.719 0.929 0.857 CB 1.440 15 residues pruned to eliminate duplicates Z: 13 15.548 1.965 0.364 0.832 0.917 0.583 CB 1.372 13 residues pruned to eliminate duplicates Z: 54 35.256 2.132 0.549 0.505 0.925 0.509 CB 1.578 45 residues pruned to eliminate duplicates Z: 6 11.842 2.069 0.296 0.875 1.000 1.000 N 1.437 6 residues pruned to eliminate duplicates Z: 6 9.825 2.059 0.158 0.851 1.000 0.800 N 1.364 6 residues pruned to eliminate duplicates Z: 34 25.107 2.104 0.479 0.579 0.939 0.485 CB 1.386 34 residues pruned to eliminate duplicates Z: 45 35.329 2.190 0.648 0.544 0.977 0.523 CB 1.447 45 residues pruned to eliminate duplicates Z: 41 22.975 1.979 0.504 0.535 0.925 0.500 CB 1.275 41 residues pruned to eliminate duplicates Z: 88 47.361 2.245 0.650 0.525 0.874 0.529 CB 1.532 88 residues pruned to eliminate duplicates Z: 67 48.790 2.241 0.666 0.599 0.939 0.455 CB 1.557 67 residues pruned to eliminate duplicates Z: 84 48.531 2.254 0.617 0.549 0.916 0.470 CB 1.522 84 residues pruned to eliminate duplicates Z: 56 30.638 2.111 0.636 0.422 0.945 0.473 CB 1.373 56 residues pruned to eliminate duplicates Z: 35 26.050 2.078 0.680 0.523 0.971 0.471 CB 1.289 35 residues pruned to eliminate duplicates Z: 38 24.863 2.049 0.573 0.502 0.946 0.514 CB 1.338 38 residues pruned to eliminate duplicates Z: 69 45.890 2.229 0.612 0.601 0.926 0.515 CB 1.518 69 residues pruned to eliminate duplicates Z: 61 43.156 2.257 0.722 0.625 0.833 0.467 CB 1.529 61 residues pruned to eliminate duplicates Z: 44 35.545 2.215 0.618 0.551 0.977 0.512 CB 1.473 44 residues pruned to eliminate duplicates Z: 65 31.253 2.207 0.547 0.410 0.875 0.516 CB 1.437 65 residues pruned to eliminate duplicates Z: 65 53.188 2.274 0.730 0.607 0.953 0.453 CB 1.602 65 residues pruned to eliminate duplicates Z: 52 31.218 2.088 0.607 0.497 0.961 0.627 CB 1.360 52 residues pruned to eliminate duplicates Z: 37 24.308 2.093 0.498 0.549 0.917 0.528 CB 1.344 37 residues pruned to eliminate duplicates Z: 64 49.141 2.270 0.707 0.622 0.921 0.492 CB 1.548 64 residues pruned to eliminate duplicates Z: 54 28.901 2.104 0.482 0.477 0.943 0.528 CB 1.381 54 residues pruned to eliminate duplicates Z: 54 29.407 2.164 0.517 0.477 0.906 0.491 CB 1.391 54 residues pruned to eliminate duplicates Z: 31 24.727 2.144 0.530 0.542 1.000 0.700 CB 1.320 31 residues pruned to eliminate duplicates Z: 66 51.922 2.254 0.729 0.615 0.969 0.538 CB 1.529 66 residues pruned to eliminate duplicates Z: 29 28.355 2.187 0.762 0.567 0.929 0.500 CB 1.403 29 residues pruned to eliminate duplicates Z: 33 25.191 2.110 0.424 0.585 0.969 0.594 CB 1.409 33 residues pruned to eliminate duplicates Z: 29 25.605 2.146 0.653 0.522 0.964 0.429 CB 1.384 29 residues pruned to eliminate duplicates Z: 85 53.232 2.276 0.734 0.546 0.917 0.512 CB 1.535 85 residues pruned to eliminate duplicates Z: 16 11.327 2.088 0.434 0.423 0.800 0.600 CB 1.323 16 residues pruned to eliminate duplicates Z: 6 7.791 2.266 0.290 0.445 0.800 0.600 CB 1.576 6 residues pruned to eliminate duplicates Z: 18 13.457 1.965 0.509 0.476 0.824 0.706 CB 1.370 18 residues pruned to eliminate duplicates Z: 17 16.288 2.076 0.375 0.542 1.000 0.688 CB 1.370 17 residues pruned to eliminate duplicates Z: 7 13.292 2.414 0.446 0.615 0.833 0.500 CB 1.673 7 residues pruned to eliminate duplicates Z: 11 11.738 2.165 0.326 0.413 0.900 0.500 CA 1.573 11 residues pruned to eliminate duplicates Z: 11 13.997 2.107 0.511 0.601 0.900 0.600 N 1.403 11 residues pruned to eliminate duplicates Z: 30 30.134 2.356 0.600 0.513 0.931 0.690 CB 1.573 30 residues pruned to eliminate duplicates Z: 8 9.742 2.181 0.305 0.410 0.857 0.714 N 1.659 8 residues pruned to eliminate duplicates Z: 8 5.695 2.044 0.596 0.342 0.714 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 57 38.407 2.195 0.665 0.548 0.911 0.643 CB 1.471 57 residues pruned to eliminate duplicates Z: 28 28.962 2.372 0.693 0.473 0.889 0.667 CB 1.605 28 residues pruned to eliminate duplicates Z: 16 10.752 2.193 0.244 0.326 0.800 0.400 CA 1.540 16 residues pruned to eliminate duplicates Z: 56 33.397 2.194 0.438 0.557 0.909 0.655 CB 1.485 56 residues pruned to eliminate duplicates Z: 57 31.832 2.210 0.389 0.574 0.911 0.554 CB 1.417 57 residues pruned to eliminate duplicates Z: 50 44.215 2.315 0.648 0.596 0.959 0.592 CB 1.574 50 residues pruned to eliminate duplicates Z: 49 43.466 2.315 0.662 0.596 0.958 0.500 CB 1.553 49 residues pruned to eliminate duplicates Z: 22 22.045 2.133 0.574 0.599 0.952 0.714 CB 1.369 22 residues pruned to eliminate duplicates Z: 30 29.753 2.244 0.694 0.548 0.897 0.690 CB 1.547 30 residues pruned to eliminate duplicates Z: 52 39.366 2.261 0.582 0.597 0.922 0.627 CB 1.524 52 residues pruned to eliminate duplicates Z: 50 38.299 2.311 0.538 0.607 0.898 0.551 CB 1.548 50 residues pruned to eliminate duplicates Z: 29 31.806 2.277 0.747 0.543 0.893 0.643 CB 1.623 29 residues pruned to eliminate duplicates Z: 52 41.402 2.244 0.744 0.585 0.902 0.588 CB 1.514 52 residues pruned to eliminate duplicates Z: 40 38.401 2.284 0.729 0.536 0.897 0.615 CB 1.675 40 residues pruned to eliminate duplicates Z: 40 32.690 2.259 0.646 0.506 0.897 0.615 CB 1.560 40 residues pruned to eliminate duplicates Z: 52 38.259 2.231 0.637 0.584 0.922 0.549 CB 1.469 52 residues pruned to eliminate duplicates Z: 52 41.702 2.248 0.691 0.608 0.922 0.569 CB 1.505 52 residues pruned to eliminate duplicates Z: 54 43.030 2.272 0.698 0.590 0.943 0.660 CB 1.490 54 residues pruned to eliminate duplicates Z: 49 36.923 2.242 0.609 0.552 0.917 0.562 CB 1.532 49 residues pruned to eliminate duplicates Z: 31 32.468 2.299 0.874 0.518 0.867 0.533 CB 1.560 31 residues pruned to eliminate duplicates Z: 50 33.036 2.154 0.733 0.586 0.857 0.612 CB 1.358 50 residues pruned to eliminate duplicates Z: 17 11.801 2.143 0.399 0.352 0.750 0.438 CB 1.540 17 residues pruned to eliminate duplicates Z: 41 36.129 2.248 0.777 0.498 0.850 0.575 CB 1.685 41 residues pruned to eliminate duplicates Z: 18 15.283 2.128 0.745 0.305 0.824 0.647 CB 1.505 18 residues pruned to eliminate duplicates Z: 27 28.028 2.232 0.682 0.581 0.885 0.500 CB 1.531 27 residues pruned to eliminate duplicates Z: 59 42.510 2.190 0.752 0.545 0.914 0.534 CB 1.524 59 residues pruned to eliminate duplicates Z: 31 22.508 2.214 0.537 0.488 0.833 0.600 CB 1.467 31 residues pruned to eliminate duplicates Z: 57 37.842 2.196 0.567 0.558 0.893 0.571 CB 1.556 57 residues pruned to eliminate duplicates Z: 54 33.969 2.233 0.605 0.508 0.849 0.528 CB 1.521 54 residues pruned to eliminate duplicates Z: 73 39.274 2.266 0.549 0.532 0.875 0.625 CB 1.460 73 residues pruned to eliminate duplicates Z: 32 24.641 2.277 0.685 0.469 0.839 0.548 CB 1.420 32 residues pruned to eliminate duplicates Z: 30 19.309 2.173 0.512 0.420 0.897 0.517 CB 1.323 30 residues pruned to eliminate duplicates Z: 74 48.785 2.211 0.614 0.627 0.959 0.630 CB 1.481 74 residues pruned to eliminate duplicates Z: 87 52.055 2.277 0.618 0.566 0.930 0.547 CB 1.536 87 residues pruned to eliminate duplicates Z: 77 34.395 2.166 0.534 0.509 0.868 0.487 CB 1.355 77 residues pruned to eliminate duplicates Z: 21 12.292 2.187 0.452 0.339 0.800 0.450 CB 1.289 21 residues pruned to eliminate duplicates Z: 21 13.735 2.196 0.516 0.359 0.800 0.500 CB 1.343 21 residues pruned to eliminate duplicates Z: 67 32.669 2.139 0.573 0.475 0.909 0.515 CB 1.348 67 residues pruned to eliminate duplicates Z: 86 54.590 2.235 0.681 0.577 0.965 0.541 CB 1.516 86 residues pruned to eliminate duplicates Z: 24 15.720 2.128 0.462 0.390 0.826 0.435 CB 1.433 24 residues pruned to eliminate duplicates Z: 61 31.604 2.077 0.538 0.513 0.967 0.500 CB 1.303 61 residues pruned to eliminate duplicates Z: 88 52.005 2.255 0.676 0.572 0.920 0.598 CB 1.496 88 residues pruned to eliminate duplicates Z: 24 17.418 2.178 0.627 0.454 0.783 0.522 CB 1.373 24 residues pruned to eliminate duplicates Z: 25 15.468 2.048 0.488 0.400 0.875 0.375 CB 1.316 25 residues pruned to eliminate duplicates Z: 24 20.080 2.140 0.550 0.471 0.957 0.478 CB 1.359 24 residues pruned to eliminate duplicates Z: 67 36.146 2.169 0.546 0.490 0.909 0.515 CB 1.473 66 residues pruned to eliminate duplicates Z: 13 10.115 1.954 0.003 0.667 0.917 0.750 CA 1.392 9 residues pruned to eliminate duplicates Z: 12 10.393 1.722 0.228 0.775 1.000 0.909 CB 1.162 12 residues pruned to eliminate duplicates Z: 9 5.501 1.932 -0.184 0.538 0.875 0.625 CA 1.359 9 residues pruned to eliminate duplicates Z: 13 10.063 1.969 0.029 0.597 0.917 0.583 CB 1.425 12 residues pruned to eliminate duplicates Z: 10 12.761 1.820 0.424 0.901 1.000 0.667 CB 1.172 10 residues pruned to eliminate duplicates Z: 34 22.927 2.103 0.484 0.501 0.939 0.545 CB 1.360 36 residues pruned to eliminate duplicates Z: 10 10.281 1.881 -0.023 0.893 1.000 0.889 CB 1.338 10 residues pruned to eliminate duplicates Z: 12 6.584 1.570 0.456 0.633 0.727 0.545 CB 1.054 12 residues pruned to eliminate duplicates Z: 14 12.318 1.877 0.452 0.625 0.923 0.462 CB 1.207 14 residues pruned to eliminate duplicates Z: 63 46.164 2.222 0.679 0.539 0.935 0.516 CB 1.617 63 residues pruned to eliminate duplicates Z: 59 40.685 2.178 0.674 0.560 0.931 0.621 CB 1.484 59 residues pruned to eliminate duplicates Z: 26 30.217 2.227 0.580 0.603 0.960 0.640 CB 1.622 26 residues pruned to eliminate duplicates Z: 52 38.055 2.287 0.632 0.598 0.863 0.686 CB 1.507 52 residues pruned to eliminate duplicates Z: 43 28.756 2.172 0.453 0.481 0.929 0.500 CB 1.543 43 residues pruned to eliminate duplicates Z: 53 49.774 2.292 0.621 0.625 1.000 0.673 CB 1.651 53 residues pruned to eliminate duplicates Z: 51 41.020 2.276 0.477 0.624 0.920 0.640 CB 1.668 51 residues pruned to eliminate duplicates Z: 18 22.003 2.204 0.677 0.681 0.941 0.588 CB 1.299 18 residues pruned to eliminate duplicates Z: 64 40.386 2.234 0.530 0.560 0.921 0.794 CB 1.526 64 residues pruned to eliminate duplicates Z: 33 38.496 2.356 0.641 0.586 0.969 0.656 CB 1.672 33 residues pruned to eliminate duplicates Z: 54 47.948 2.286 0.601 0.590 0.962 0.604 CB 1.715 54 residues pruned to eliminate duplicates Z: 20 25.081 2.219 0.927 0.595 0.947 0.632 CB 1.297 20 residues pruned to eliminate duplicates Z: 41 47.584 2.311 0.700 0.656 0.950 0.700 CB 1.743 41 residues pruned to eliminate duplicates Z: 41 40.367 2.292 0.618 0.663 0.925 0.750 CB 1.600 41 residues pruned to eliminate duplicates Z: 56 43.422 2.288 0.575 0.569 0.927 0.636 CB 1.639 56 residues pruned to eliminate duplicates Z: 42 41.807 2.309 0.614 0.636 0.951 0.707 CB 1.621 42 residues pruned to eliminate duplicates Z: 32 46.109 2.320 0.942 0.724 0.903 0.613 CB 1.663 32 residues pruned to eliminate duplicates Z: 9 16.303 2.225 1.000 0.622 0.875 0.625 CB 1.319 9 residues pruned to eliminate duplicates Z: 78 36.166 2.240 0.530 0.510 0.844 0.442 CB 1.411 78 residues pruned to eliminate duplicates Z: 34 18.119 2.242 0.406 0.396 0.848 0.515 CB 1.316 34 residues pruned to eliminate duplicates Z: 24 21.373 2.298 0.627 0.490 0.957 0.609 CB 1.258 24 residues pruned to eliminate duplicates Z: 21 10.025 2.251 0.264 0.342 0.850 0.500 CB 1.101 21 residues pruned to eliminate duplicates Z: 21 16.060 2.233 0.299 0.424 0.950 0.500 CA 1.411 21 residues pruned to eliminate duplicates Z: 17 13.412 2.264 0.206 0.420 1.000 0.438 CB 1.335 17 residues pruned to eliminate duplicates Z: 32 16.771 2.253 0.383 0.384 0.774 0.484 CB 1.412 32 residues pruned to eliminate duplicates Z: 27 10.994 2.099 0.230 0.319 0.846 0.385 CB 1.205 27 residues pruned to eliminate duplicates Z: 19 11.340 2.188 0.279 0.364 0.833 0.500 CB 1.327 19 residues pruned to eliminate duplicates Z: 25 13.399 2.280 0.212 0.384 0.917 0.375 CB 1.221 25 residues pruned to eliminate duplicates Z: 23 13.718 2.101 0.341 0.466 0.818 0.409 CB 1.313 23 residues pruned to eliminate duplicates Z: 94 40.190 2.267 0.362 0.535 0.849 0.559 CB 1.535 94 residues pruned to eliminate duplicates Z: 31 12.604 2.124 0.169 0.347 0.833 0.400 CB 1.313 31 residues pruned to eliminate duplicates Z: 40 18.850 2.210 0.242 0.436 0.872 0.436 CB 1.348 40 residues pruned to eliminate duplicates Z: 86 37.945 2.245 0.498 0.493 0.906 0.553 CB 1.361 86 residues pruned to eliminate duplicates Z: 21 17.052 2.259 0.263 0.457 0.950 0.450 CB 1.470 21 residues pruned to eliminate duplicates Z: 61 38.574 2.296 0.515 0.574 0.867 0.533 CB 1.537 61 residues pruned to eliminate duplicates Z: 32 17.057 2.199 0.470 0.375 0.839 0.419 CB 1.291 32 residues pruned to eliminate duplicates Z: 40 19.203 2.209 0.333 0.422 0.872 0.462 CB 1.299 40 residues pruned to eliminate duplicates Z: 24 12.576 2.218 0.125 0.388 0.913 0.522 CB 1.297 24 residues pruned to eliminate duplicates Z: 41 23.104 2.239 0.505 0.440 0.875 0.500 CB 1.318 41 residues pruned to eliminate duplicates Z: 37 13.975 2.124 0.178 0.348 0.833 0.389 CB 1.316 37 residues pruned to eliminate duplicates Z: 25 12.146 2.196 0.179 0.368 0.792 0.500 CB 1.394 25 residues pruned to eliminate duplicates Z: 19 12.752 2.125 0.392 0.398 0.889 0.611 CB 1.272 19 residues pruned to eliminate duplicates Z: 35 17.349 2.104 0.400 0.442 0.824 0.441 CB 1.303 35 residues pruned to eliminate duplicates Z: 38 17.709 2.168 0.532 0.373 0.784 0.405 CB 1.282 38 residues pruned to eliminate duplicates Z: 20 15.916 2.134 0.540 0.461 0.842 0.579 CB 1.373 20 residues pruned to eliminate duplicates Z: 72 43.457 2.289 0.587 0.546 0.901 0.592 CB 1.507 72 residues pruned to eliminate duplicates Z: 28 18.166 2.218 0.591 0.410 0.815 0.481 CB 1.337 28 residues pruned to eliminate duplicates Z: 93 47.820 2.267 0.489 0.565 0.913 0.598 CB 1.519 93 residues pruned to eliminate duplicates Z: 41 22.651 2.209 0.550 0.443 0.825 0.475 CB 1.345 41 residues pruned to eliminate duplicates Z: 41 20.115 2.201 0.444 0.411 0.825 0.500 CB 1.332 41 residues pruned to eliminate duplicates Z: 10 12.430 1.859 0.529 0.635 0.889 0.778 CB 1.445 Z: 7 10.238 1.984 0.125 0.894 1.000 1.000 CB 1.343 Z: 9 10.109 1.902 0.166 0.796 0.875 0.500 CB 1.421 7 residues pruned to eliminate duplicates Z: 11 13.789 1.938 0.341 0.843 1.000 0.800 CB 1.249 20 residues pruned to eliminate duplicates Z: 20 17.394 1.905 0.425 0.610 0.895 0.632 CB 1.480 20 residues pruned to eliminate duplicates Z: 35 22.275 1.987 0.331 0.668 0.912 0.647 CB 1.357 35 residues pruned to eliminate duplicates Z: 35 20.781 1.970 0.262 0.666 0.882 0.559 CB 1.393 35 residues pruned to eliminate duplicates Z: 33 23.852 2.033 0.448 0.693 0.906 0.562 CB 1.325 33 residues pruned to eliminate duplicates Z: 20 20.025 2.038 0.593 0.680 0.842 0.579 CB 1.424 20 residues pruned to eliminate duplicates Z: 21 19.187 1.962 0.537 0.654 0.900 0.550 CB 1.370 21 residues pruned to eliminate duplicates Z: 34 22.972 1.999 0.257 0.707 0.939 0.636 CB 1.404 34 residues pruned to eliminate duplicates Z: 17 16.672 2.030 0.387 0.594 0.938 0.625 CB 1.443 17 residues pruned to eliminate duplicates Z: 31 21.862 1.995 0.417 0.707 0.967 0.767 CB 1.211 31 residues pruned to eliminate duplicates Z: 31 22.104 1.965 0.476 0.677 0.933 0.600 CB 1.267 31 residues pruned to eliminate duplicates Z: 30 21.162 2.005 0.359 0.704 0.931 0.517 CB 1.287 30 residues pruned to eliminate duplicates Z: 14 10.337 2.036 0.662 0.351 0.846 0.615 CA 1.178 14 residues pruned to eliminate duplicates Z: 37 43.091 2.330 0.719 0.571 0.944 0.667 CA 1.773 37 residues pruned to eliminate duplicates Z: 37 35.573 2.261 0.602 0.585 0.917 0.639 CB 1.645 37 residues pruned to eliminate duplicates Z: 15 9.164 1.822 0.814 0.373 0.786 0.571 CB 1.080 15 residues pruned to eliminate duplicates Z: 38 38.249 2.306 0.596 0.601 0.946 0.703 CA 1.642 38 residues pruned to eliminate duplicates Z: 15 10.652 2.006 0.432 0.431 0.786 0.643 CA 1.354 15 residues pruned to eliminate duplicates Z: 40 35.297 2.256 0.537 0.561 0.923 0.692 CA 1.665 40 residues pruned to eliminate duplicates Z: 13 10.304 1.988 0.833 0.375 0.750 0.583 CA 1.245 13 residues pruned to eliminate duplicates Z: 14 11.799 1.967 0.432 0.461 1.000 0.692 CA 1.208 14 residues pruned to eliminate duplicates Z: 14 14.259 1.866 0.462 0.774 0.923 0.615 CB 1.233 14 residues pruned to eliminate duplicates Z: 15 14.922 1.751 0.648 0.727 1.000 0.714 CB 1.126 15 residues pruned to eliminate duplicates Z: 13 14.925 1.848 0.409 0.767 0.917 0.500 CB 1.425 13 residues pruned to eliminate duplicates Z: 14 15.412 1.871 0.459 0.812 0.923 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 15.863 1.951 0.476 0.871 0.917 0.750 CB 1.266 13 residues pruned to eliminate duplicates Z: 14 17.821 1.845 0.750 0.806 1.000 0.692 CB 1.172 14 residues pruned to eliminate duplicates Z: 13 18.954 1.927 0.526 0.898 1.000 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 14 16.469 1.883 0.514 0.834 0.923 0.769 CB 1.302 14 residues pruned to eliminate duplicates Z: 13 16.170 1.941 0.402 0.838 1.000 0.667 CB 1.282 13 residues pruned to eliminate duplicates Z: 14 13.074 1.792 0.496 0.743 0.923 0.462 CB 1.179 14 residues pruned to eliminate duplicates Z: 36 43.777 2.311 0.861 0.685 0.857 0.571 CB 1.694 36 residues pruned to eliminate duplicates Z: 42 33.971 2.226 0.579 0.552 0.951 0.537 CB 1.508 42 residues pruned to eliminate duplicates Z: 86 49.629 2.277 0.554 0.547 0.941 0.565 CB 1.544 86 residues pruned to eliminate duplicates Z: 45 30.127 2.152 0.503 0.512 0.955 0.477 CB 1.453 45 residues pruned to eliminate duplicates Z: 35 41.080 2.342 0.753 0.672 0.882 0.471 CB 1.658 35 residues pruned to eliminate duplicates Z: 34 44.233 2.332 0.827 0.670 0.909 0.485 CB 1.700 34 residues pruned to eliminate duplicates Z: 35 44.317 2.303 0.802 0.684 0.971 0.412 CB 1.593 35 residues pruned to eliminate duplicates Z: 34 35.485 2.304 0.626 0.675 0.879 0.515 CB 1.597 34 residues pruned to eliminate duplicates Z: 20 13.381 1.965 -0.006 0.714 0.895 0.684 CB 1.447 20 residues pruned to eliminate duplicates Z: 21 17.137 1.970 0.202 0.753 1.000 0.700 CB 1.292 21 residues pruned to eliminate duplicates Z: 17 16.208 1.955 0.372 0.767 0.938 0.688 CB 1.271 17 residues pruned to eliminate duplicates Z: 18 17.718 1.907 0.494 0.788 0.941 0.529 CB 1.245 18 residues pruned to eliminate duplicates Z: 21 19.665 1.899 0.353 0.784 1.000 0.700 CB 1.334 16 residues pruned to eliminate duplicates Z: 15 22.189 2.112 0.394 0.912 1.000 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 17 18.646 1.976 0.414 0.845 0.938 0.625 CB 1.324 17 residues pruned to eliminate duplicates Z: 14 18.322 2.121 0.342 0.865 0.923 0.692 CB 1.417 14 residues pruned to eliminate duplicates Z: 26 17.468 1.810 0.419 0.645 0.960 0.720 CB 1.237 26 residues pruned to eliminate duplicates Z: 20 21.364 1.927 0.696 0.763 1.000 0.632 CB 1.187 20 residues pruned to eliminate duplicates Z: 23 22.119 1.881 0.576 0.705 0.955 0.636 CB 1.382 22 residues pruned to eliminate duplicates Z: 15 24.835 2.090 0.682 0.896 1.000 0.714 CB 1.353 15 residues pruned to eliminate duplicates Z: 15 21.314 2.052 0.859 0.881 0.929 0.500 CB 1.164 15 residues pruned to eliminate duplicates Z: 46 28.784 2.219 0.541 0.457 0.844 0.622 CB 1.553 46 residues pruned to eliminate duplicates Z: 24 16.603 2.051 0.580 0.399 0.870 0.522 CB 1.367 30 residues pruned to eliminate duplicates Z: 6 6.976 1.842 0.262 0.527 1.000 0.800 CA 1.307 6 residues pruned to eliminate duplicates Z: 21 14.003 2.088 0.370 0.430 0.900 0.600 CB 1.307 21 residues pruned to eliminate duplicates Z: 21 8.685 1.891 0.219 0.401 0.900 0.450 CB 1.038 13 residues pruned to eliminate duplicates 461 residues left after pruning, divided into chains as follows: A: 13 B: 16 C: 18 D: 12 E: 14 F: 30 G: 34 H: 193 I: 9 J: 28 K: 94 CC for partial structure against native data = 31.95 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.299, Contrast = 0.460, Connect. = 0.746 for dens.mod. cycle 1 = 0.299, Contrast = 0.511, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.653, Connect. = 0.799 for dens.mod. cycle 3 = 0.299, Contrast = 0.667, Connect. = 0.800 for dens.mod. cycle 4 = 0.299, Contrast = 0.681, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.689, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.697, Connect. = 0.805 for dens.mod. cycle 7 = 0.299, Contrast = 0.703, Connect. = 0.806 for dens.mod. cycle 8 = 0.299, Contrast = 0.708, Connect. = 0.807 for dens.mod. cycle 9 = 0.299, Contrast = 0.711, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2788 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 552 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 22.134 2.265 0.280 0.895 0.929 0.857 CB 1.575 B: 21 40.839 2.372 0.736 0.920 0.900 0.550 CB 1.736 C: 16 22.296 2.179 0.492 0.862 0.867 0.867 CA 1.500 16 residues pruned to eliminate duplicates D: 65 42.813 2.310 0.490 0.537 0.891 0.516 CB 1.684 15 residues pruned to eliminate duplicates E: 22 42.420 2.289 0.764 0.926 0.952 0.524 CB 1.688 21 residues pruned to eliminate duplicates F: 21 41.806 2.332 0.697 0.934 0.950 0.550 CB 1.734 21 residues pruned to eliminate duplicates G: 21 35.410 2.346 0.737 0.923 0.800 0.450 CB 1.706 21 residues pruned to eliminate duplicates H: 22 41.538 2.287 0.822 0.920 0.905 0.429 CB 1.693 22 residues pruned to eliminate duplicates I: 15 21.701 2.218 0.529 0.918 1.000 0.857 CB 1.206 J: 14 31.661 2.315 0.786 0.852 1.000 0.615 CA 1.571 14 residues pruned to eliminate duplicates K: 21 43.505 2.251 1.034 0.892 0.950 0.250 CB 1.606 21 residues pruned to eliminate duplicates L: 70 36.890 2.247 0.425 0.485 0.957 0.594 CB 1.473 15 residues pruned to eliminate duplicates M: 22 41.740 2.253 0.609 0.919 1.000 0.905 CB 1.771 22 residues pruned to eliminate duplicates N: 69 32.606 2.135 0.392 0.519 0.941 0.544 CB 1.386 60 residues pruned to eliminate duplicates O: 15 29.342 2.325 0.785 0.910 0.929 0.857 CB 1.443 P: 16 22.037 2.209 0.336 0.772 0.867 0.600 CA 1.749 Q: 14 34.715 2.485 0.665 0.896 1.000 0.692 CB 1.666 15 residues pruned to eliminate duplicates R: 16 27.193 2.232 0.505 0.833 0.933 0.533 CA 1.680 16 residues pruned to eliminate duplicates S: 13 15.486 2.097 -0.041 0.902 1.000 0.917 CB 1.585 T: 17 22.016 2.142 0.467 0.852 0.938 0.750 CB 1.382 17 residues pruned to eliminate duplicates U: 19 27.502 2.308 0.341 0.857 0.833 0.722 CB 1.851 19 residues pruned to eliminate duplicates V: 15 17.267 2.076 0.155 0.870 0.929 0.643 CA 1.513 15 residues pruned to eliminate duplicates W: 59 51.533 2.377 0.609 0.649 0.931 0.603 CB 1.655 62 residues pruned to eliminate duplicates X: 21 28.680 2.121 0.534 0.871 0.900 0.600 CB 1.597 Y: 20 36.370 2.263 1.028 0.919 0.789 0.263 CB 1.622 20 residues pruned to eliminate duplicates Z: 96 43.222 2.282 0.435 0.491 0.895 0.579 CB 1.527 30 residues pruned to eliminate duplicates Z: 8 8.224 1.945 0.470 0.430 1.000 0.714 CB 1.169 Z: 22 37.970 2.260 0.475 0.896 0.952 0.762 CB 1.870 22 residues pruned to eliminate duplicates Z: 21 26.322 2.112 0.394 0.893 0.900 0.500 CB 1.595 21 residues pruned to eliminate duplicates Z: 44 32.769 2.216 0.486 0.531 0.930 0.535 CA 1.582 44 residues pruned to eliminate duplicates Z: 8 6.490 2.040 0.438 0.339 0.857 0.714 CB 1.164 8 residues pruned to eliminate duplicates Z: 113 46.410 2.280 0.398 0.535 0.902 0.464 CB 1.474 116 residues pruned to eliminate duplicates Z: 115 53.730 2.302 0.589 0.524 0.895 0.544 CB 1.502 115 residues pruned to eliminate duplicates Z: 8 15.425 2.007 0.521 0.805 1.000 0.857 CA 1.463 Z: 11 19.645 2.121 0.720 0.877 0.800 0.500 CB 1.546 11 residues pruned to eliminate duplicates Z: 16 25.812 2.080 0.816 0.843 0.933 0.600 CA 1.408 16 residues pruned to eliminate duplicates Z: 75 41.288 2.142 0.447 0.552 0.905 0.608 CB 1.626 76 residues pruned to eliminate duplicates Z: 16 18.944 2.064 0.396 0.819 1.000 0.800 CA 1.287 16 residues pruned to eliminate duplicates Z: 30 25.548 2.004 0.474 0.650 0.966 0.483 CB 1.447 Z: 35 33.273 2.074 0.811 0.609 0.941 0.412 CB 1.456 21 residues pruned to eliminate duplicates Z: 11 10.882 1.783 0.430 0.670 0.900 0.700 CA 1.282 11 residues pruned to eliminate duplicates Z: 49 40.086 2.331 0.653 0.613 0.896 0.417 CB 1.507 49 residues pruned to eliminate duplicates Z: 15 25.949 2.330 0.439 0.840 0.929 0.857 CA 1.661 15 residues pruned to eliminate duplicates Z: 9 8.473 1.735 0.386 0.644 0.875 0.625 CB 1.244 Z: 38 34.685 2.237 0.468 0.534 1.000 0.649 CA 1.680 38 residues pruned to eliminate duplicates Z: 22 41.494 2.277 0.705 0.930 0.905 0.857 CB 1.802 22 residues pruned to eliminate duplicates Z: 13 32.058 2.421 0.644 0.901 1.000 1.000 CA 1.660 13 residues pruned to eliminate duplicates Z: 35 31.466 2.349 0.475 0.538 0.941 0.676 CB 1.595 35 residues pruned to eliminate duplicates Z: 7 12.742 2.235 0.455 0.731 0.833 0.500 CB 1.560 9 residues pruned to eliminate duplicates Z: 21 40.099 2.310 0.585 0.906 1.000 0.900 CB 1.742 21 residues pruned to eliminate duplicates Z: 13 20.359 2.248 0.252 0.819 1.000 0.833 CA 1.584 13 residues pruned to eliminate duplicates Z: 21 23.873 2.020 0.740 0.463 1.000 0.750 CB 1.576 Z: 19 31.752 2.295 0.536 0.915 0.889 0.833 CA 1.688 19 residues pruned to eliminate duplicates Z: 7 16.999 2.046 0.461 0.878 1.000 1.000 CB 1.684 8 residues pruned to eliminate duplicates Z: 8 10.529 1.909 0.416 0.707 1.000 0.571 CB 1.220 8 residues pruned to eliminate duplicates Z: 13 17.910 2.045 0.306 0.933 1.000 0.833 CB 1.351 13 residues pruned to eliminate duplicates Z: 58 38.631 2.239 0.480 0.519 0.930 0.474 CA 1.629 58 residues pruned to eliminate duplicates Z: 14 26.436 2.312 0.499 0.865 0.923 0.692 CA 1.679 14 residues pruned to eliminate duplicates Z: 14 30.601 2.360 0.702 0.910 0.923 0.846 CB 1.623 Z: 16 25.503 2.221 0.584 0.886 1.000 0.800 CB 1.351 16 residues pruned to eliminate duplicates Z: 22 31.231 2.112 0.684 0.861 0.905 0.476 CB 1.556 22 residues pruned to eliminate duplicates Z: 21 28.461 2.122 0.376 0.883 0.950 0.700 CB 1.659 21 residues pruned to eliminate duplicates Z: 38 27.772 2.101 0.493 0.548 0.946 0.514 CB 1.468 39 residues pruned to eliminate duplicates Z: 9 16.058 1.931 0.318 0.901 1.000 0.750 CB 1.591 Z: 38 26.465 2.044 0.517 0.549 0.973 0.676 CB 1.375 38 residues pruned to eliminate duplicates Z: 47 36.991 2.278 0.427 0.616 0.913 0.587 CB 1.646 47 residues pruned to eliminate duplicates Z: 15 19.928 2.201 0.250 0.884 0.857 0.357 CA 1.632 15 residues pruned to eliminate duplicates Z: 15 20.503 1.969 0.746 0.852 0.929 0.786 CA 1.269 15 residues pruned to eliminate duplicates Z: 15 14.204 2.072 -0.069 0.898 1.000 0.714 CB 1.409 15 residues pruned to eliminate duplicates Z: 15 29.763 2.335 0.713 0.893 1.000 0.714 CB 1.427 15 residues pruned to eliminate duplicates Z: 14 15.129 2.188 0.380 0.766 0.692 0.462 CB 1.586 14 residues pruned to eliminate duplicates Z: 12 18.667 1.815 0.784 0.904 1.000 0.455 CB 1.239 11 residues pruned to eliminate duplicates Z: 16 28.621 2.343 0.991 0.862 0.667 0.467 CB 1.744 16 residues pruned to eliminate duplicates Z: 14 39.980 2.452 0.937 0.918 1.000 0.692 CB 1.646 14 residues pruned to eliminate duplicates Z: 21 34.750 2.308 0.500 0.894 0.900 0.750 CB 1.789 21 residues pruned to eliminate duplicates Z: 10 17.302 2.095 0.415 0.841 1.000 0.667 CB 1.450 10 residues pruned to eliminate duplicates Z: 14 27.392 2.421 0.220 0.873 1.000 1.000 CA 1.874 14 residues pruned to eliminate duplicates Z: 57 43.291 2.255 0.705 0.505 0.893 0.429 CA 1.677 57 residues pruned to eliminate duplicates Z: 7 14.161 1.956 0.553 0.810 1.000 0.667 CB 1.454 7 residues pruned to eliminate duplicates Z: 81 49.669 2.193 0.516 0.589 0.950 0.512 CB 1.614 79 residues pruned to eliminate duplicates Z: 13 19.622 2.129 0.293 0.897 1.000 0.833 CA 1.473 13 residues pruned to eliminate duplicates Z: 15 28.995 2.263 0.617 0.900 1.000 0.929 CB 1.513 15 residues pruned to eliminate duplicates Z: 96 50.026 2.327 0.553 0.498 0.926 0.589 CB 1.536 96 residues pruned to eliminate duplicates Z: 14 16.472 2.113 0.058 0.905 1.000 0.846 CB 1.454 14 residues pruned to eliminate duplicates Z: 85 48.029 2.293 0.654 0.589 0.857 0.369 CB 1.481 85 residues pruned to eliminate duplicates Z: 10 8.876 1.736 0.475 0.488 0.889 0.667 CA 1.316 Z: 10 10.309 1.904 0.319 0.884 1.000 0.778 CB 0.988 Z: 14 29.711 2.335 0.852 0.895 1.000 0.769 CB 1.366 14 residues pruned to eliminate duplicates Z: 13 16.855 2.090 0.152 0.865 1.000 0.917 CA 1.480 13 residues pruned to eliminate duplicates Z: 15 28.466 2.318 0.594 0.857 1.000 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 18 31.598 2.132 0.665 0.880 0.941 0.765 CB 1.661 18 residues pruned to eliminate duplicates Z: 11 16.928 1.736 0.605 0.914 1.000 0.900 CB 1.359 9 residues pruned to eliminate duplicates Z: 10 19.609 2.157 0.550 0.835 1.000 0.667 CB 1.465 10 residues pruned to eliminate duplicates Z: 25 25.102 2.335 0.589 0.565 0.875 0.667 CB 1.482 25 residues pruned to eliminate duplicates Z: 15 20.562 2.123 0.337 0.896 1.000 0.786 CB 1.387 15 residues pruned to eliminate duplicates Z: 13 38.088 2.316 1.175 0.908 1.000 0.583 CB 1.550 14 residues pruned to eliminate duplicates Z: 22 28.289 2.121 0.477 0.885 0.905 0.381 CB 1.573 22 residues pruned to eliminate duplicates Z: 86 46.911 2.315 0.477 0.576 0.906 0.529 CB 1.527 86 residues pruned to eliminate duplicates Z: 30 32.791 2.353 0.674 0.529 0.931 0.552 CB 1.614 30 residues pruned to eliminate duplicates Z: 13 17.901 2.112 0.171 0.864 1.000 0.917 CA 1.531 13 residues pruned to eliminate duplicates Z: 11 11.928 1.711 0.400 0.877 0.900 0.400 CB 1.270 11 residues pruned to eliminate duplicates Z: 16 25.609 2.248 0.476 0.896 1.000 0.800 CB 1.427 16 residues pruned to eliminate duplicates Z: 22 35.118 2.302 0.408 0.918 1.000 0.857 CB 1.666 22 residues pruned to eliminate duplicates Z: 17 20.506 2.241 0.478 0.504 0.938 0.688 CB 1.645 17 residues pruned to eliminate duplicates Z: 13 15.020 2.090 0.035 0.897 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 21 25.221 2.144 0.344 0.859 0.900 0.650 CB 1.600 21 residues pruned to eliminate duplicates Z: 19 21.956 2.087 0.526 0.490 0.944 0.556 CA 1.737 19 residues pruned to eliminate duplicates Z: 121 52.582 2.254 0.529 0.534 0.917 0.467 CB 1.469 121 residues pruned to eliminate duplicates Z: 11 10.581 2.074 0.297 0.620 0.900 0.800 CB 1.234 11 residues pruned to eliminate duplicates Z: 6 8.816 2.018 0.306 0.574 1.000 0.600 CA 1.393 6 residues pruned to eliminate duplicates Z: 9 13.588 2.140 0.378 0.703 0.875 0.750 CB 1.548 8 residues pruned to eliminate duplicates Z: 39 20.941 1.983 0.270 0.582 0.974 0.737 CB 1.280 39 residues pruned to eliminate duplicates Z: 21 23.778 2.103 0.268 0.870 0.950 0.750 CA 1.532 21 residues pruned to eliminate duplicates Z: 14 15.198 2.038 0.390 0.888 1.000 0.692 CA 1.072 14 residues pruned to eliminate duplicates Z: 12 15.512 1.833 0.481 0.899 1.000 0.364 CB 1.232 12 residues pruned to eliminate duplicates Z: 15 24.323 2.186 0.488 0.849 1.000 0.429 CA 1.482 15 residues pruned to eliminate duplicates Z: 20 29.925 2.212 0.502 0.895 0.947 0.632 CB 1.564 20 residues pruned to eliminate duplicates Z: 21 31.378 2.082 0.460 0.910 1.000 0.450 CB 1.637 21 residues pruned to eliminate duplicates Z: 10 19.231 2.148 0.552 0.832 1.000 0.667 CB 1.444 10 residues pruned to eliminate duplicates Z: 173 66.180 2.309 0.552 0.535 0.895 0.547 CB 1.520 173 residues pruned to eliminate duplicates Z: 14 31.951 2.323 0.778 0.877 1.000 0.538 CA 1.558 14 residues pruned to eliminate duplicates Z: 45 26.452 2.028 0.508 0.591 0.909 0.409 CB 1.314 45 residues pruned to eliminate duplicates Z: 17 25.345 2.110 0.936 0.867 1.000 0.562 CB 1.135 17 residues pruned to eliminate duplicates Z: 57 35.924 2.136 0.520 0.563 0.911 0.661 CB 1.526 57 residues pruned to eliminate duplicates Z: 8 13.114 2.019 0.181 0.824 1.000 0.857 CA 1.570 8 residues pruned to eliminate duplicates Z: 6 3.005 1.583 0.294 0.287 0.800 0.800 CB 1.043 6 residues pruned to eliminate duplicates Z: 29 22.893 2.022 0.415 0.681 0.929 0.607 CB 1.379 29 residues pruned to eliminate duplicates Z: 20 19.638 2.027 0.510 0.496 0.895 0.789 CA 1.651 20 residues pruned to eliminate duplicates Z: 64 42.634 2.309 0.604 0.508 0.952 0.492 CB 1.510 64 residues pruned to eliminate duplicates Z: 14 10.036 2.032 0.175 0.410 1.000 0.615 CA 1.281 14 residues pruned to eliminate duplicates Z: 76 42.836 2.198 0.610 0.492 0.920 0.560 CB 1.532 76 residues pruned to eliminate duplicates Z: 35 24.100 2.077 0.573 0.608 0.853 0.412 CB 1.339 18 residues pruned to eliminate duplicates Z: 9 13.372 1.869 0.455 0.826 0.875 0.750 CB 1.498 9 residues pruned to eliminate duplicates Z: 181 65.911 2.307 0.480 0.529 0.922 0.550 CB 1.516 181 residues pruned to eliminate duplicates Z: 29 24.069 2.005 0.495 0.669 0.929 0.679 CB 1.398 29 residues pruned to eliminate duplicates Z: 7 9.719 1.900 0.105 0.839 1.000 0.833 CA 1.412 7 residues pruned to eliminate duplicates Z: 15 15.812 1.996 0.335 0.860 0.857 0.786 CB 1.360 15 residues pruned to eliminate duplicates Z: 11 11.689 1.843 0.312 0.633 0.900 0.700 N 1.499 11 residues pruned to eliminate duplicates Z: 19 11.608 2.120 0.316 0.403 0.778 0.444 CB 1.397 19 residues pruned to eliminate duplicates Z: 14 10.163 1.665 0.688 0.517 0.846 0.615 CB 1.166 13 residues pruned to eliminate duplicates Z: 11 15.587 2.252 0.437 0.877 0.900 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 14 12.130 2.094 0.409 0.388 0.846 0.462 CB 1.518 14 residues pruned to eliminate duplicates Z: 9 13.618 1.707 0.484 0.860 1.000 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 14 13.977 2.130 0.570 0.549 0.769 0.385 CA 1.436 14 residues pruned to eliminate duplicates Z: 12 13.131 2.145 0.221 0.842 0.818 0.727 CB 1.377 12 residues pruned to eliminate duplicates Z: 56 34.450 2.105 0.469 0.552 0.927 0.600 CA 1.539 56 residues pruned to eliminate duplicates Z: 15 32.438 2.355 0.784 0.909 1.000 0.786 CB 1.464 15 residues pruned to eliminate duplicates Z: 14 10.221 1.895 0.322 0.543 0.923 0.615 CB 1.174 12 residues pruned to eliminate duplicates Z: 7 5.463 1.729 -0.022 0.531 1.000 0.667 CB 1.280 Z: 30 22.665 2.134 0.358 0.603 0.966 0.655 CB 1.364 30 residues pruned to eliminate duplicates Z: 14 32.884 2.440 0.597 0.897 1.000 0.846 CA 1.675 14 residues pruned to eliminate duplicates Z: 13 11.358 2.178 0.239 0.428 0.917 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 8 12.719 2.081 0.326 0.867 0.857 0.714 CB 1.488 8 residues pruned to eliminate duplicates Z: 9 13.101 2.179 0.672 0.575 0.750 0.625 CA 1.577 9 residues pruned to eliminate duplicates Z: 16 15.555 2.044 0.381 0.863 0.867 0.467 CB 1.204 16 residues pruned to eliminate duplicates Z: 66 40.754 2.195 0.583 0.525 0.892 0.415 CB 1.590 80 residues pruned to eliminate duplicates Z: 13 18.660 2.101 0.266 0.867 1.000 0.833 CB 1.481 13 residues pruned to eliminate duplicates Z: 14 19.936 2.318 0.161 0.863 1.000 0.846 CA 1.507 14 residues pruned to eliminate duplicates Z: 22 17.798 1.932 0.370 0.676 0.905 0.619 CB 1.379 29 residues pruned to eliminate duplicates Z: 13 25.554 2.247 0.777 0.890 1.000 0.833 CB 1.330 14 residues pruned to eliminate duplicates Z: 33 32.315 2.088 0.717 0.662 0.969 0.469 CB 1.416 33 residues pruned to eliminate duplicates Z: 12 15.341 1.846 0.336 0.879 1.000 0.727 CB 1.360 12 residues pruned to eliminate duplicates Z: 6 4.861 1.829 0.176 0.618 0.800 0.400 CB 1.130 6 residues pruned to eliminate duplicates Z: 9 15.624 2.202 0.545 0.838 0.875 0.750 CB 1.387 9 residues pruned to eliminate duplicates Z: 10 8.954 1.749 0.442 0.852 0.667 0.444 CB 1.313 10 residues pruned to eliminate duplicates Z: 14 17.323 2.070 0.202 0.915 1.000 0.923 CB 1.364 14 residues pruned to eliminate duplicates Z: 15 30.100 2.332 0.785 0.904 0.929 0.643 CA 1.482 15 residues pruned to eliminate duplicates Z: 10 10.584 2.056 0.355 0.448 0.889 0.444 CB 1.504 10 residues pruned to eliminate duplicates Z: 67 46.985 2.333 0.644 0.541 0.894 0.591 CB 1.620 67 residues pruned to eliminate duplicates Z: 73 47.735 2.319 0.522 0.649 0.903 0.625 CB 1.537 73 residues pruned to eliminate duplicates Z: 9 5.845 1.926 0.226 0.422 0.750 0.625 CA 1.266 9 residues pruned to eliminate duplicates Z: 22 23.688 2.352 0.498 0.590 0.857 0.667 CB 1.570 22 residues pruned to eliminate duplicates Z: 15 31.606 2.221 0.935 0.883 1.000 0.714 CB 1.421 14 residues pruned to eliminate duplicates Z: 12 16.457 1.870 0.430 0.910 1.000 1.000 CB 1.316 Z: 15 17.037 2.065 0.097 0.887 1.000 0.929 CB 1.450 15 residues pruned to eliminate duplicates Z: 16 26.706 2.264 0.740 0.919 0.933 0.600 CB 1.322 16 residues pruned to eliminate duplicates Z: 10 15.910 2.192 0.472 0.801 0.889 0.667 CB 1.421 10 residues pruned to eliminate duplicates Z: 7 8.988 2.012 0.577 0.596 1.000 0.500 CB 1.055 Z: 7 9.887 1.804 0.767 0.698 0.833 0.833 CB 1.268 7 residues pruned to eliminate duplicates Z: 21 23.506 2.102 0.164 0.884 1.000 0.750 CA 1.552 21 residues pruned to eliminate duplicates Z: 13 18.504 2.165 0.211 0.863 1.000 0.917 CB 1.495 13 residues pruned to eliminate duplicates Z: 13 20.303 1.945 0.652 0.890 1.000 0.833 CB 1.312 12 residues pruned to eliminate duplicates Z: 8 12.151 1.961 0.415 0.771 0.857 0.857 CA 1.519 8 residues pruned to eliminate duplicates Z: 99 49.243 2.287 0.539 0.515 0.908 0.531 CB 1.533 98 residues pruned to eliminate duplicates Z: 10 11.152 1.750 0.327 0.913 1.000 1.000 CB 1.133 10 residues pruned to eliminate duplicates Z: 20 37.031 2.230 0.503 0.947 1.000 0.632 CB 1.753 20 residues pruned to eliminate duplicates Z: 13 32.535 2.359 0.721 0.857 1.000 0.417 CA 1.705 13 residues pruned to eliminate duplicates Z: 33 27.704 2.182 0.610 0.606 0.875 0.438 CB 1.441 34 residues pruned to eliminate duplicates Z: 15 27.035 2.241 0.513 0.877 1.000 0.714 CA 1.548 15 residues pruned to eliminate duplicates Z: 13 13.734 2.120 0.181 0.849 1.000 0.833 CA 1.174 13 residues pruned to eliminate duplicates Z: 12 18.934 2.180 0.483 0.866 1.000 0.909 CB 1.293 12 residues pruned to eliminate duplicates Z: 17 20.476 2.131 0.501 0.886 1.000 0.938 CB 1.155 17 residues pruned to eliminate duplicates Z: 14 19.320 2.287 0.100 0.906 1.000 1.000 CB 1.515 14 residues pruned to eliminate duplicates Z: 14 32.807 2.352 0.808 0.907 1.000 0.846 CB 1.521 14 residues pruned to eliminate duplicates Z: 8 17.742 1.884 0.968 0.855 0.857 0.714 CA 1.557 8 residues pruned to eliminate duplicates Z: 13 16.779 2.122 0.202 0.928 1.000 0.750 CB 1.330 13 residues pruned to eliminate duplicates Z: 15 12.406 2.200 0.534 0.312 0.857 0.500 CB 1.412 15 residues pruned to eliminate duplicates Z: 16 20.193 2.158 0.283 0.839 0.933 0.867 CA 1.507 16 residues pruned to eliminate duplicates Z: 15 19.080 2.230 0.204 0.810 0.929 0.857 CA 1.561 15 residues pruned to eliminate duplicates Z: 10 14.722 2.158 0.447 0.790 0.889 0.333 CB 1.370 10 residues pruned to eliminate duplicates Z: 102 47.579 2.294 0.475 0.515 0.911 0.554 CB 1.513 102 residues pruned to eliminate duplicates Z: 15 25.233 2.209 0.542 0.881 0.929 0.714 CB 1.544 15 residues pruned to eliminate duplicates Z: 6 8.929 1.960 0.130 0.851 1.000 0.800 CB 1.335 6 residues pruned to eliminate duplicates Z: 21 16.536 2.108 0.200 0.464 1.000 0.600 CB 1.517 21 residues pruned to eliminate duplicates Z: 8 21.105 2.167 0.628 0.879 1.000 1.000 CA 1.640 8 residues pruned to eliminate duplicates Z: 10 8.667 2.058 0.266 0.745 0.667 0.333 CB 1.336 10 residues pruned to eliminate duplicates Z: 15 29.115 2.218 0.683 0.844 1.000 0.571 CA 1.551 15 residues pruned to eliminate duplicates Z: 6 7.344 1.681 0.394 0.655 1.000 0.600 CA 1.213 6 residues pruned to eliminate duplicates Z: 7 5.740 1.994 0.902 0.256 0.833 0.500 CB 0.981 7 residues pruned to eliminate duplicates Z: 105 56.969 2.295 0.593 0.573 0.942 0.500 CB 1.511 105 residues pruned to eliminate duplicates Z: 88 44.155 2.272 0.470 0.575 0.908 0.540 CB 1.452 88 residues pruned to eliminate duplicates Z: 7 18.165 2.000 0.538 0.883 1.000 1.000 N 1.743 7 residues pruned to eliminate duplicates Z: 19 22.643 2.133 0.550 0.506 0.944 0.667 CB 1.698 19 residues pruned to eliminate duplicates Z: 22 40.712 2.252 0.862 0.915 0.905 0.429 CB 1.655 22 residues pruned to eliminate duplicates Z: 16 22.408 2.198 0.542 0.905 1.000 1.000 CB 1.215 16 residues pruned to eliminate duplicates Z: 7 13.910 2.269 0.942 0.539 1.000 0.500 CB 1.241 7 residues pruned to eliminate duplicates Z: 19 21.373 2.179 0.395 0.554 1.000 0.611 CB 1.572 19 residues pruned to eliminate duplicates Z: 10 16.169 2.112 0.658 0.813 0.889 0.444 CB 1.318 10 residues pruned to eliminate duplicates Z: 41 32.861 2.350 0.579 0.515 0.875 0.550 CB 1.576 41 residues pruned to eliminate duplicates Z: 55 46.180 2.309 0.725 0.551 0.944 0.685 CB 1.590 55 residues pruned to eliminate duplicates Z: 9 9.743 1.792 0.269 0.895 1.000 0.875 CB 1.086 9 residues pruned to eliminate duplicates Z: 16 19.550 2.161 0.571 0.616 0.933 0.600 CA 1.427 16 residues pruned to eliminate duplicates Z: 12 18.239 1.930 0.458 0.906 1.000 0.636 CA 1.390 13 residues pruned to eliminate duplicates Z: 14 15.777 2.092 0.101 0.942 1.000 0.846 CB 1.317 14 residues pruned to eliminate duplicates Z: 7 4.518 1.976 -0.233 0.644 0.667 0.500 CA 1.595 7 residues pruned to eliminate duplicates Z: 7 10.935 2.022 0.174 0.883 1.000 0.833 CB 1.360 8 residues pruned to eliminate duplicates Z: 10 13.375 1.957 0.225 0.902 1.000 0.778 CB 1.326 9 residues pruned to eliminate duplicates Z: 29 24.184 2.136 0.303 0.556 1.000 0.607 CA 1.555 29 residues pruned to eliminate duplicates Z: 13 23.165 2.203 0.840 0.873 0.917 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 72 46.183 2.343 0.593 0.503 0.901 0.549 CB 1.624 72 residues pruned to eliminate duplicates Z: 7 23.877 2.195 1.103 0.772 1.000 0.667 CA 1.660 7 residues pruned to eliminate duplicates Z: 14 9.715 1.907 0.280 0.597 0.846 0.462 CB 1.189 14 residues pruned to eliminate duplicates Z: 13 9.105 2.133 0.234 0.439 0.750 0.333 CA 1.418 13 residues pruned to eliminate duplicates Z: 13 20.327 2.138 0.228 0.886 1.000 0.833 CA 1.613 13 residues pruned to eliminate duplicates Z: 14 15.282 1.946 0.440 0.898 1.000 0.538 CB 1.081 14 residues pruned to eliminate duplicates Z: 6 4.558 2.099 0.056 0.812 0.800 0.800 CB 0.876 6 residues pruned to eliminate duplicates Z: 13 14.081 2.051 0.008 0.896 1.000 0.833 CB 1.408 13 residues pruned to eliminate duplicates Z: 13 13.285 1.826 0.183 0.863 1.000 0.667 CB 1.303 12 residues pruned to eliminate duplicates Z: 10 10.240 1.954 0.052 0.836 1.000 0.556 CB 1.242 10 residues pruned to eliminate duplicates Z: 30 19.309 1.988 0.528 0.604 0.862 0.552 CB 1.241 30 residues pruned to eliminate duplicates Z: 15 16.213 2.015 0.348 0.740 0.929 0.929 CA 1.386 15 residues pruned to eliminate duplicates Z: 14 15.760 1.843 0.443 0.872 1.000 0.846 CB 1.198 13 residues pruned to eliminate duplicates Z: 11 13.191 1.976 0.451 0.815 0.900 0.600 CB 1.229 11 residues pruned to eliminate duplicates Z: 108 54.173 2.342 0.524 0.572 0.888 0.579 CB 1.541 108 residues pruned to eliminate duplicates Z: 11 12.928 1.938 0.268 0.884 0.900 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 12 12.589 2.083 0.524 0.552 0.727 0.636 CA 1.563 12 residues pruned to eliminate duplicates Z: 18 12.602 1.879 0.565 0.610 0.824 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 13 21.618 1.911 0.717 0.877 1.000 0.750 CB 1.381 14 residues pruned to eliminate duplicates Z: 11 10.563 1.794 0.206 0.889 1.000 0.900 CB 1.111 11 residues pruned to eliminate duplicates Z: 6 4.910 1.937 -0.119 0.833 1.000 0.600 CB 0.965 6 residues pruned to eliminate duplicates Z: 11 17.623 1.920 0.591 0.903 0.900 0.400 CB 1.445 11 residues pruned to eliminate duplicates Z: 11 12.946 1.772 0.783 0.721 0.900 0.800 CA 1.179 11 residues pruned to eliminate duplicates Z: 10 16.677 2.130 0.753 0.481 1.000 0.889 CB 1.517 10 residues pruned to eliminate duplicates Z: 65 43.499 2.244 0.469 0.568 0.938 0.594 CB 1.648 65 residues pruned to eliminate duplicates Z: 11 10.082 1.869 -0.007 0.864 1.000 0.800 CB 1.259 11 residues pruned to eliminate duplicates Z: 24 26.681 2.243 0.689 0.547 0.957 0.522 CB 1.466 24 residues pruned to eliminate duplicates Z: 15 14.187 2.019 0.267 0.748 0.929 0.571 CA 1.279 15 residues pruned to eliminate duplicates Z: 30 34.108 2.176 0.676 0.731 0.966 0.448 CB 1.461 30 residues pruned to eliminate duplicates Z: 61 47.158 2.382 0.480 0.639 0.933 0.600 CB 1.624 61 residues pruned to eliminate duplicates Z: 8 3.583 1.655 0.020 0.529 0.857 0.714 CB 0.909 8 residues pruned to eliminate duplicates Z: 24 13.533 2.180 0.310 0.454 0.913 0.522 CB 1.134 24 residues pruned to eliminate duplicates Z: 17 19.394 2.101 0.559 0.585 0.875 0.750 CA 1.559 17 residues pruned to eliminate duplicates Z: 12 12.620 1.801 0.156 0.899 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 11 9.141 1.544 0.233 0.880 1.000 0.800 CB 1.100 11 residues pruned to eliminate duplicates Z: 14 19.922 2.269 0.227 0.909 1.000 1.000 CA 1.408 14 residues pruned to eliminate duplicates Z: 88 49.434 2.293 0.547 0.568 0.908 0.540 CB 1.541 88 residues pruned to eliminate duplicates Z: 53 39.896 2.187 0.536 0.598 0.942 0.635 CB 1.592 53 residues pruned to eliminate duplicates Z: 13 16.325 2.125 0.131 0.858 1.000 0.917 CB 1.444 13 residues pruned to eliminate duplicates Z: 56 32.121 2.082 0.658 0.571 0.873 0.618 CB 1.343 67 residues pruned to eliminate duplicates Z: 107 52.648 2.274 0.596 0.529 0.934 0.519 CB 1.466 107 residues pruned to eliminate duplicates Z: 14 22.484 2.370 0.679 0.624 0.923 0.615 CA 1.510 14 residues pruned to eliminate duplicates Z: 10 16.688 2.157 0.604 0.544 1.000 0.667 CB 1.540 10 residues pruned to eliminate duplicates Z: 13 17.519 2.081 0.274 0.905 1.000 0.500 CB 1.358 13 residues pruned to eliminate duplicates Z: 43 21.548 2.195 0.444 0.417 0.833 0.548 CB 1.373 43 residues pruned to eliminate duplicates 6 1.114 1.483 0.052 0.101 0.600 0.600 N 0.886 ? Z: 14 26.513 2.264 0.666 0.911 1.000 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 14 20.758 2.096 0.499 0.910 0.923 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 20 18.138 1.914 0.564 0.495 0.947 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 7 4.993 1.482 0.163 0.765 1.000 0.667 CA 0.934 7 residues pruned to eliminate duplicates Z: 22 9.685 1.744 0.237 0.452 0.810 0.381 CB 1.272 28 residues pruned to eliminate duplicates Z: 12 18.192 1.943 0.447 0.900 1.000 1.000 CB 1.393 12 residues pruned to eliminate duplicates Z: 16 33.320 2.242 0.809 0.933 0.867 0.333 CB 1.708 16 residues pruned to eliminate duplicates Z: 11 11.677 1.817 0.176 0.808 1.000 0.800 CB 1.321 11 residues pruned to eliminate duplicates Z: 6 4.346 1.542 0.441 0.593 0.800 0.400 CA 1.000 6 residues pruned to eliminate duplicates Z: 16 11.776 2.143 0.304 0.456 1.000 0.533 CB 1.138 16 residues pruned to eliminate duplicates Z: 54 38.085 2.258 0.373 0.589 0.925 0.736 CA 1.675 54 residues pruned to eliminate duplicates Z: 20 23.725 2.038 0.651 0.531 0.947 0.789 CB 1.656 20 residues pruned to eliminate duplicates Z: 7 11.016 1.769 0.614 0.648 1.000 0.667 C 1.372 7 residues pruned to eliminate duplicates Z: 16 21.318 2.206 0.236 0.828 0.933 0.533 CA 1.628 16 residues pruned to eliminate duplicates Z: 7 7.548 1.659 0.613 0.694 0.833 0.500 CB 1.157 7 residues pruned to eliminate duplicates Z: 14 19.465 2.276 0.489 0.642 0.923 0.615 CB 1.511 14 residues pruned to eliminate duplicates Z: 12 14.405 2.065 0.192 0.680 1.000 0.909 CB 1.496 12 residues pruned to eliminate duplicates Z: 22 15.267 1.956 0.483 0.448 0.952 0.571 CB 1.272 22 residues pruned to eliminate duplicates Z: 22 34.304 2.210 0.601 0.812 1.000 0.810 CB 1.612 22 residues pruned to eliminate duplicates Z: 10 9.288 2.155 0.184 0.326 1.000 0.444 CB 1.469 10 residues pruned to eliminate duplicates Z: 11 14.275 2.017 0.526 0.662 0.900 0.700 CA 1.402 11 residues pruned to eliminate duplicates Z: 13 7.787 1.568 0.411 0.488 0.917 0.667 CA 1.122 Z: 10 17.782 2.139 0.792 0.909 0.889 0.556 CB 1.235 10 residues pruned to eliminate duplicates Z: 76 47.970 2.339 0.447 0.596 0.920 0.493 CB 1.624 76 residues pruned to eliminate duplicates Z: 21 28.314 2.173 0.585 0.864 0.850 0.450 CB 1.585 21 residues pruned to eliminate duplicates Z: 8 8.983 2.021 0.407 0.511 0.857 0.857 CA 1.379 8 residues pruned to eliminate duplicates Z: 11 13.705 1.676 0.450 0.895 1.000 0.800 CB 1.278 11 residues pruned to eliminate duplicates Z: 11 17.660 1.880 0.785 0.924 1.000 0.400 CB 1.169 11 residues pruned to eliminate duplicates Z: 6 5.583 1.913 -0.118 0.859 1.000 0.400 CB 1.088 6 residues pruned to eliminate duplicates Z: 8 17.936 1.778 0.865 0.824 1.000 0.714 C 1.544 8 residues pruned to eliminate duplicates Z: 13 11.274 1.822 0.456 0.539 0.917 0.667 CB 1.289 12 residues pruned to eliminate duplicates Z: 17 17.356 2.248 0.445 0.481 0.875 0.688 CA 1.556 17 residues pruned to eliminate duplicates Z: 15 27.090 2.286 0.740 0.864 0.929 0.786 CB 1.437 15 residues pruned to eliminate duplicates Z: 12 20.277 1.913 0.721 0.907 1.000 0.727 CB 1.320 12 residues pruned to eliminate duplicates Z: 17 18.814 2.080 0.336 0.895 1.000 0.812 CB 1.213 17 residues pruned to eliminate duplicates Z: 88 50.149 2.323 0.504 0.559 0.931 0.517 CB 1.561 88 residues pruned to eliminate duplicates Z: 15 15.743 2.052 0.238 0.897 0.786 0.643 CB 1.508 15 residues pruned to eliminate duplicates Z: 55 51.057 2.279 0.729 0.596 0.944 0.500 CB 1.704 55 residues pruned to eliminate duplicates Z: 21 37.813 2.263 0.879 0.912 0.950 0.600 CB 1.483 21 residues pruned to eliminate duplicates Z: 14 18.772 2.119 0.686 0.837 0.846 0.615 CB 1.289 14 residues pruned to eliminate duplicates 6 1.804 1.540 -0.282 0.412 0.800 0.600 N 1.001 ? Z: 91 38.791 2.253 0.440 0.473 0.867 0.478 CB 1.494 91 residues pruned to eliminate duplicates Z: 11 17.029 2.154 0.447 0.902 0.900 0.800 CB 1.369 11 residues pruned to eliminate duplicates Z: 15 7.329 1.755 0.219 0.578 0.786 0.643 CB 1.081 15 residues pruned to eliminate duplicates Z: 43 35.403 2.188 0.707 0.581 0.929 0.405 CB 1.457 43 residues pruned to eliminate duplicates Z: 11 14.862 1.898 0.589 0.900 0.900 0.500 CB 1.236 11 residues pruned to eliminate duplicates Z: 31 23.638 2.009 0.527 0.594 0.800 0.400 CB 1.608 31 residues pruned to eliminate duplicates Z: 88 39.045 2.295 0.441 0.462 0.862 0.563 CB 1.525 88 residues pruned to eliminate duplicates Z: 10 12.846 1.667 0.571 0.917 1.000 0.889 CB 1.154 10 residues pruned to eliminate duplicates Z: 14 32.533 2.319 0.693 0.888 1.000 0.615 CA 1.656 14 residues pruned to eliminate duplicates Z: 42 20.049 1.909 0.189 0.658 0.951 0.756 CB 1.253 42 residues pruned to eliminate duplicates Z: 82 54.134 2.345 0.584 0.593 0.938 0.543 CB 1.580 82 residues pruned to eliminate duplicates Z: 19 28.085 2.388 0.469 0.701 1.000 0.722 CB 1.571 19 residues pruned to eliminate duplicates Z: 9 6.366 1.967 0.292 0.254 0.875 0.625 CA 1.342 9 residues pruned to eliminate duplicates Z: 14 15.405 2.024 0.635 0.782 0.769 0.538 CA 1.309 14 residues pruned to eliminate duplicates Z: 14 29.431 2.203 0.586 0.873 1.000 0.308 CB 1.702 14 residues pruned to eliminate duplicates Z: 9 11.746 2.105 0.472 0.553 1.000 0.875 CA 1.273 9 residues pruned to eliminate duplicates Z: 7 2.259 1.548 -0.228 0.506 0.833 0.667 CB 0.920 Z: 66 53.714 2.343 0.646 0.556 0.938 0.585 CA 1.743 66 residues pruned to eliminate duplicates Z: 19 23.605 2.138 0.461 0.724 0.944 0.611 CB 1.541 19 residues pruned to eliminate duplicates Z: 15 28.587 2.211 0.772 0.849 0.929 0.714 CA 1.556 15 residues pruned to eliminate duplicates Z: 7 4.645 1.447 0.358 0.569 0.833 0.500 CA 1.083 Z: 8 6.324 1.980 0.049 0.771 0.714 0.429 CB 1.268 8 residues pruned to eliminate duplicates Z: 12 15.545 1.940 0.327 0.893 1.000 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 12 12.203 1.696 0.267 0.827 1.000 0.909 CB 1.291 11 residues pruned to eliminate duplicates Z: 10 8.971 1.960 -0.065 0.865 0.889 0.667 CB 1.345 10 residues pruned to eliminate duplicates Z: 190 67.302 2.288 0.503 0.542 0.905 0.603 CB 1.509 190 residues pruned to eliminate duplicates Z: 114 44.329 2.284 0.362 0.523 0.885 0.469 CB 1.480 114 residues pruned to eliminate duplicates Z: 22 17.659 2.124 0.453 0.385 0.905 0.524 CB 1.561 22 residues pruned to eliminate duplicates Z: 11 12.748 1.622 0.694 0.898 0.900 0.700 CB 1.166 11 residues pruned to eliminate duplicates Z: 19 20.321 1.979 0.426 0.748 0.944 0.500 CB 1.439 19 residues pruned to eliminate duplicates Z: 42 25.927 2.250 0.382 0.513 0.878 0.463 CB 1.464 42 residues pruned to eliminate duplicates Z: 29 28.123 2.119 0.668 0.566 0.893 0.571 CA 1.580 29 residues pruned to eliminate duplicates Z: 29 17.825 2.141 0.479 0.431 0.821 0.607 CB 1.390 29 residues pruned to eliminate duplicates Z: 13 10.824 1.743 0.089 0.608 1.000 0.917 CA 1.485 13 residues pruned to eliminate duplicates Z: 10 10.828 1.720 0.307 0.899 1.000 0.889 CB 1.148 10 residues pruned to eliminate duplicates Z: 13 16.328 2.116 0.409 0.889 1.000 0.750 CB 1.138 13 residues pruned to eliminate duplicates 6 0.694 1.380 0.109 0.371 0.400 0.400 CB 0.582 ? Z: 8 7.004 1.743 0.440 0.421 0.857 0.714 CA 1.336 Z: 10 17.364 2.065 0.528 0.727 1.000 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 11 13.097 1.788 0.414 0.862 1.000 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 9 13.580 2.342 0.382 0.427 1.000 0.500 CA 1.601 6 residues pruned to eliminate duplicates Z: 11 11.083 2.329 0.274 0.423 0.700 0.700 CB 1.828 11 residues pruned to eliminate duplicates Z: 17 22.196 2.121 0.661 0.878 0.875 0.562 CB 1.306 17 residues pruned to eliminate duplicates Z: 22 12.134 2.142 0.260 0.322 0.810 0.524 CB 1.473 22 residues pruned to eliminate duplicates Z: 28 14.323 2.231 0.309 0.372 0.778 0.407 CB 1.392 28 residues pruned to eliminate duplicates Z: 6 7.792 1.665 0.776 0.536 1.000 0.600 CA 1.137 6 residues pruned to eliminate duplicates Z: 9 7.474 1.873 0.490 0.383 0.750 0.500 CA 1.430 11 residues pruned to eliminate duplicates Z: 17 14.421 1.950 0.515 0.480 0.938 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 14 8.332 2.082 0.132 0.259 0.923 0.615 CB 1.399 14 residues pruned to eliminate duplicates Z: 53 36.726 2.156 0.670 0.534 0.885 0.558 CB 1.547 53 residues pruned to eliminate duplicates Z: 37 22.020 2.057 0.500 0.547 0.833 0.528 CB 1.363 37 residues pruned to eliminate duplicates Z: 31 28.844 2.104 0.662 0.668 0.900 0.300 CB 1.433 31 residues pruned to eliminate duplicates Z: 45 31.917 2.229 0.680 0.547 0.818 0.364 CB 1.500 45 residues pruned to eliminate duplicates Z: 12 18.519 2.196 0.547 0.891 0.909 0.727 CB 1.299 12 residues pruned to eliminate duplicates Z: 13 14.829 2.111 0.239 0.836 0.917 0.667 CA 1.337 13 residues pruned to eliminate duplicates Z: 17 12.821 1.925 0.163 0.807 0.812 0.750 CB 1.348 17 residues pruned to eliminate duplicates Z: 14 20.814 2.107 0.332 0.878 1.000 0.692 CB 1.493 14 residues pruned to eliminate duplicates Z: 17 23.029 2.160 0.415 0.696 0.938 0.688 CA 1.680 17 residues pruned to eliminate duplicates Z: 17 15.685 2.027 0.121 0.886 1.000 1.000 CB 1.245 17 residues pruned to eliminate duplicates Z: 16 20.106 2.121 0.574 0.794 0.800 0.400 CB 1.503 16 residues pruned to eliminate duplicates Z: 8 15.221 1.937 0.651 0.775 1.000 0.571 CB 1.410 Using tripeptides from previous cycle as seeds Z: 13 15.107 1.850 0.453 0.875 1.000 0.750 CB 1.179 13 residues pruned to eliminate duplicates Z: 13 16.815 1.861 0.522 0.832 1.000 0.667 CB 1.286 13 residues pruned to eliminate duplicates Z: 15 14.794 1.849 0.469 0.763 0.929 0.429 CB 1.241 15 residues pruned to eliminate duplicates Z: 15 13.970 1.852 0.295 0.787 1.000 0.571 CB 1.210 15 residues pruned to eliminate duplicates Z: 14 18.864 1.925 0.678 0.855 0.923 0.538 CB 1.295 14 residues pruned to eliminate duplicates Z: 15 17.429 1.818 0.528 0.739 1.000 0.643 CB 1.353 15 residues pruned to eliminate duplicates Z: 17 15.704 1.733 0.507 0.736 1.000 0.562 CB 1.216 17 residues pruned to eliminate duplicates Z: 14 19.937 1.906 0.680 0.834 1.000 0.615 CB 1.294 15 residues pruned to eliminate duplicates Z: 13 14.578 1.846 0.358 0.813 1.000 0.667 CB 1.278 13 residues pruned to eliminate duplicates Z: 12 21.811 1.968 0.692 0.873 1.000 0.818 CB 1.438 12 residues pruned to eliminate duplicates Z: 15 16.716 1.853 0.663 0.823 0.929 0.714 CB 1.179 15 residues pruned to eliminate duplicates Z: 18 18.134 2.273 0.269 0.683 0.882 0.706 CB 1.460 18 residues pruned to eliminate duplicates Z: 57 40.027 2.209 0.522 0.525 0.929 0.679 CA 1.672 74 residues pruned to eliminate duplicates Z: 57 40.206 2.277 0.444 0.555 0.929 0.661 CA 1.669 57 residues pruned to eliminate duplicates Z: 18 26.412 2.288 0.606 0.709 0.941 0.824 CB 1.532 Z: 15 22.198 2.255 0.297 0.908 1.000 0.786 CB 1.441 19 residues pruned to eliminate duplicates Z: 15 29.339 2.243 0.567 0.866 1.000 0.786 CB 1.633 15 residues pruned to eliminate duplicates Z: 14 37.943 2.372 0.900 0.927 1.000 0.462 CB 1.636 14 residues pruned to eliminate duplicates Z: 14 27.945 2.215 0.686 0.896 1.000 0.615 CB 1.487 14 residues pruned to eliminate duplicates Z: 18 26.379 2.272 0.854 0.700 0.882 0.588 CB 1.434 18 residues pruned to eliminate duplicates Z: 45 49.366 2.292 0.819 0.632 0.932 0.523 CB 1.693 82 residues pruned to eliminate duplicates Z: 15 31.556 2.220 0.962 0.844 0.929 0.500 CA 1.551 15 residues pruned to eliminate duplicates Z: 21 27.057 2.229 0.797 0.623 0.950 0.450 CB 1.416 18 residues pruned to eliminate duplicates Z: 16 33.821 2.181 0.855 0.865 1.000 0.667 CB 1.581 16 residues pruned to eliminate duplicates Z: 18 22.762 2.209 0.590 0.714 0.941 0.647 CB 1.376 18 residues pruned to eliminate duplicates Z: 18 26.983 2.223 0.649 0.545 0.941 0.706 CB 1.816 18 residues pruned to eliminate duplicates Z: 20 22.719 2.101 0.621 0.513 0.895 0.684 CB 1.690 20 residues pruned to eliminate duplicates Z: 20 17.331 2.040 0.471 0.481 0.842 0.579 CB 1.604 20 residues pruned to eliminate duplicates Z: 21 20.879 2.019 0.527 0.534 0.900 0.650 CB 1.628 21 residues pruned to eliminate duplicates Z: 19 22.849 2.153 0.387 0.519 1.000 0.778 CB 1.769 19 residues pruned to eliminate duplicates Z: 19 23.453 2.169 0.604 0.531 0.889 0.611 CB 1.733 19 residues pruned to eliminate duplicates Z: 20 20.407 2.044 0.568 0.504 0.895 0.526 CB 1.627 20 residues pruned to eliminate duplicates Z: 19 22.973 2.125 0.567 0.463 1.000 0.778 CB 1.690 19 residues pruned to eliminate duplicates Z: 20 22.331 2.068 0.744 0.513 0.842 0.632 CB 1.665 20 residues pruned to eliminate duplicates Z: 20 21.918 2.048 0.810 0.505 0.842 0.684 CB 1.602 20 residues pruned to eliminate duplicates Z: 19 24.396 2.167 0.571 0.531 0.944 0.778 CB 1.735 19 residues pruned to eliminate duplicates Z: 7 17.220 2.077 0.456 0.863 1.000 0.833 CA 1.706 7 residues pruned to eliminate duplicates Z: 21 19.061 2.034 0.666 0.487 0.850 0.650 CB 1.499 21 residues pruned to eliminate duplicates Z: 11 14.191 1.912 0.739 0.586 0.800 0.600 CA 1.553 10 residues pruned to eliminate duplicates Z: 9 17.134 1.830 0.676 0.845 1.000 0.750 CB 1.469 10 residues pruned to eliminate duplicates Z: 10 15.622 1.648 0.560 0.834 1.000 0.778 CA 1.518 9 residues pruned to eliminate duplicates Z: 9 11.675 1.919 0.476 0.488 0.875 0.625 N 1.686 4 residues pruned to eliminate duplicates Z: 7 10.745 2.106 0.505 0.543 0.833 0.667 CB 1.592 7 residues pruned to eliminate duplicates Z: 6 11.731 2.089 0.417 0.657 1.000 0.800 CB 1.533 6 residues pruned to eliminate duplicates Z: 14 11.723 1.970 0.719 0.450 0.769 0.385 CB 1.315 15 residues pruned to eliminate duplicates Z: 6 10.546 2.084 0.287 0.560 1.000 0.400 CB 1.660 6 residues pruned to eliminate duplicates Z: 6 8.926 2.108 0.439 0.587 0.800 0.400 N 1.514 6 residues pruned to eliminate duplicates Z: 11 11.464 2.012 0.211 0.701 0.900 0.600 CB 1.377 11 residues pruned to eliminate duplicates Z: 15 13.104 2.064 0.204 0.551 0.929 0.500 CB 1.445 15 residues pruned to eliminate duplicates Z: 18 13.332 1.909 0.257 0.591 0.941 0.471 CB 1.313 17 residues pruned to eliminate duplicates Z: 11 12.315 1.847 0.322 0.844 0.900 0.800 CB 1.319 11 residues pruned to eliminate duplicates Z: 18 10.324 1.944 0.052 0.525 0.882 0.647 CB 1.353 18 residues pruned to eliminate duplicates Z: 16 13.351 2.018 0.105 0.622 0.933 0.733 CB 1.476 17 residues pruned to eliminate duplicates Z: 9 12.708 1.923 0.149 0.782 1.000 0.750 CB 1.586 9 residues pruned to eliminate duplicates Z: 16 13.984 2.048 0.410 0.532 0.933 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 16 14.934 2.009 0.376 0.592 1.000 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 6 8.962 1.891 0.739 0.476 1.000 1.000 CB 1.249 6 residues pruned to eliminate duplicates Z: 15 21.071 2.055 0.420 0.715 1.000 0.643 CB 1.588 15 residues pruned to eliminate duplicates Z: 8 9.934 1.935 0.562 0.602 0.857 0.857 CB 1.315 8 residues pruned to eliminate duplicates Z: 22 23.580 2.107 0.218 0.784 0.952 0.571 CA 1.639 22 residues pruned to eliminate duplicates Z: 34 25.406 2.080 0.377 0.632 0.879 0.576 CA 1.553 34 residues pruned to eliminate duplicates Z: 31 26.277 2.175 0.352 0.669 0.900 0.467 CA 1.551 31 residues pruned to eliminate duplicates Z: 31 27.174 2.178 0.377 0.688 0.933 0.600 CB 1.492 31 residues pruned to eliminate duplicates Z: 23 28.920 2.116 0.474 0.844 0.909 0.636 CB 1.617 23 residues pruned to eliminate duplicates Z: 17 18.527 2.057 0.375 0.677 0.938 0.438 CB 1.484 17 residues pruned to eliminate duplicates Z: 25 27.321 2.049 0.452 0.732 1.000 0.750 CB 1.521 25 residues pruned to eliminate duplicates Z: 23 27.008 2.101 0.459 0.768 0.955 0.636 CB 1.552 23 residues pruned to eliminate duplicates Z: 31 35.547 2.221 0.520 0.687 0.967 0.667 CB 1.676 31 residues pruned to eliminate duplicates Z: 36 30.837 2.144 0.619 0.616 0.914 0.543 CB 1.472 36 residues pruned to eliminate duplicates Z: 34 33.548 2.173 0.636 0.639 0.909 0.606 CB 1.586 34 residues pruned to eliminate duplicates Z: 31 34.883 2.177 0.671 0.677 0.933 0.500 CB 1.593 31 residues pruned to eliminate duplicates Z: 24 27.692 2.148 0.627 0.709 0.870 0.435 CA 1.571 24 residues pruned to eliminate duplicates Z: 32 31.758 2.138 0.676 0.643 0.935 0.452 CB 1.489 32 residues pruned to eliminate duplicates Z: 34 32.327 2.146 0.768 0.613 0.879 0.455 CB 1.516 34 residues pruned to eliminate duplicates Z: 31 39.332 2.190 0.793 0.705 1.000 0.433 CB 1.517 31 residues pruned to eliminate duplicates Z: 32 31.098 2.163 0.608 0.663 0.871 0.419 CB 1.585 32 residues pruned to eliminate duplicates Z: 32 33.748 2.122 0.790 0.662 0.903 0.323 CB 1.520 32 residues pruned to eliminate duplicates Z: 34 31.430 2.150 0.605 0.644 0.939 0.333 CB 1.476 34 residues pruned to eliminate duplicates Z: 33 34.728 2.115 0.691 0.646 0.969 0.500 CB 1.547 33 residues pruned to eliminate duplicates Z: 11 13.173 2.058 0.794 0.474 0.900 0.700 CB 1.288 11 residues pruned to eliminate duplicates Z: 33 32.722 2.123 0.697 0.659 0.938 0.406 CB 1.477 33 residues pruned to eliminate duplicates Z: 33 29.699 2.106 0.508 0.641 0.938 0.531 CB 1.545 33 residues pruned to eliminate duplicates Z: 43 21.186 1.918 0.380 0.528 0.881 0.619 CB 1.364 43 residues pruned to eliminate duplicates Z: 32 32.035 2.145 0.718 0.676 0.903 0.452 CB 1.470 32 residues pruned to eliminate duplicates Z: 34 31.887 2.140 0.634 0.662 0.909 0.455 CB 1.502 34 residues pruned to eliminate duplicates Z: 23 17.297 2.006 0.322 0.660 0.955 0.727 CB 1.256 23 residues pruned to eliminate duplicates Z: 25 14.633 1.984 0.308 0.555 0.875 0.625 CB 1.246 25 residues pruned to eliminate duplicates Z: 23 21.376 1.966 0.451 0.760 1.000 0.727 CB 1.267 23 residues pruned to eliminate duplicates Z: 20 14.937 1.948 0.581 0.553 0.947 0.579 CB 1.115 20 residues pruned to eliminate duplicates Z: 23 22.558 2.016 0.538 0.764 1.000 0.591 CB 1.227 23 residues pruned to eliminate duplicates Z: 23 23.280 2.050 0.596 0.728 1.000 0.636 CB 1.236 23 residues pruned to eliminate duplicates Z: 22 27.187 2.075 0.723 0.753 1.000 0.857 CB 1.325 22 residues pruned to eliminate duplicates Z: 23 22.918 2.020 0.609 0.742 0.955 0.500 CB 1.268 23 residues pruned to eliminate duplicates Z: 23 21.407 2.009 0.629 0.710 0.909 0.636 CB 1.267 23 residues pruned to eliminate duplicates Z: 23 19.358 2.057 0.666 0.610 0.864 0.364 CB 1.257 23 residues pruned to eliminate duplicates Z: 21 20.561 2.081 0.513 0.691 0.950 0.700 CB 1.290 21 residues pruned to eliminate duplicates Z: 22 20.252 2.061 0.457 0.674 1.000 0.667 CB 1.254 22 residues pruned to eliminate duplicates Z: 38 29.419 2.059 0.656 0.657 0.946 0.568 CB 1.296 46 residues pruned to eliminate duplicates Z: 25 18.347 1.928 0.563 0.681 0.875 0.500 CB 1.202 25 residues pruned to eliminate duplicates Z: 24 23.997 1.997 0.699 0.715 1.000 0.435 CB 1.214 24 residues pruned to eliminate duplicates Z: 24 19.758 1.938 0.740 0.711 0.826 0.609 CB 1.221 24 residues pruned to eliminate duplicates Z: 23 22.412 2.010 0.815 0.755 0.864 0.545 CB 1.208 23 residues pruned to eliminate duplicates Z: 22 26.293 2.091 0.589 0.615 1.000 0.429 CB 1.549 22 residues pruned to eliminate duplicates Z: 36 32.325 2.129 0.589 0.638 0.971 0.514 CB 1.460 36 residues pruned to eliminate duplicates Z: 35 30.272 2.144 0.535 0.635 0.912 0.529 CB 1.524 35 residues pruned to eliminate duplicates Z: 35 25.356 2.139 0.537 0.617 0.824 0.471 CB 1.439 35 residues pruned to eliminate duplicates Z: 35 30.670 2.136 0.558 0.634 0.941 0.441 CB 1.480 35 residues pruned to eliminate duplicates Z: 36 30.075 2.125 0.632 0.608 0.914 0.543 CB 1.447 36 residues pruned to eliminate duplicates Z: 34 28.966 2.157 0.606 0.634 0.848 0.394 CB 1.512 34 residues pruned to eliminate duplicates Z: 35 33.194 2.150 0.675 0.619 0.941 0.441 CB 1.501 35 residues pruned to eliminate duplicates Z: 36 30.897 2.127 0.611 0.612 0.971 0.514 CB 1.411 36 residues pruned to eliminate duplicates Z: 36 27.747 2.103 0.582 0.602 0.914 0.514 CB 1.399 36 residues pruned to eliminate duplicates Z: 35 31.078 2.127 0.702 0.597 0.941 0.500 CB 1.426 35 residues pruned to eliminate duplicates Z: 36 31.992 2.128 0.654 0.611 0.943 0.486 CB 1.467 36 residues pruned to eliminate duplicates Z: 35 25.475 2.108 0.652 0.611 0.824 0.441 CB 1.371 35 residues pruned to eliminate duplicates Z: 36 30.699 2.138 0.669 0.602 0.914 0.457 CB 1.444 36 residues pruned to eliminate duplicates Z: 34 32.089 2.187 0.641 0.621 0.939 0.515 CB 1.477 34 residues pruned to eliminate duplicates Z: 10 14.322 2.201 0.463 0.632 0.778 0.667 N 1.684 10 residues pruned to eliminate duplicates Z: 11 10.590 2.054 0.328 0.528 0.800 0.500 CB 1.494 11 residues pruned to eliminate duplicates Z: 65 46.548 2.352 0.623 0.569 0.875 0.625 CB 1.630 65 residues pruned to eliminate duplicates Z: 9 12.659 2.108 0.711 0.551 0.750 0.625 CA 1.575 9 residues pruned to eliminate duplicates Z: 32 31.497 2.331 0.628 0.542 0.903 0.710 CA 1.584 32 residues pruned to eliminate duplicates Z: 76 43.685 2.350 0.490 0.509 0.907 0.533 CB 1.575 76 residues pruned to eliminate duplicates Z: 30 31.550 2.257 0.549 0.573 0.931 0.655 CA 1.678 30 residues pruned to eliminate duplicates Z: 54 46.464 2.342 0.603 0.618 0.887 0.660 CB 1.716 54 residues pruned to eliminate duplicates Z: 175 62.212 2.315 0.405 0.534 0.908 0.586 CB 1.544 175 residues pruned to eliminate duplicates Z: 62 51.883 2.373 0.588 0.591 0.951 0.623 CB 1.699 62 residues pruned to eliminate duplicates Z: 57 45.568 2.345 0.625 0.554 0.946 0.554 CB 1.602 57 residues pruned to eliminate duplicates Z: 24 25.918 2.284 0.607 0.559 0.957 0.565 CB 1.453 24 residues pruned to eliminate duplicates Z: 25 25.152 2.218 0.681 0.556 0.917 0.542 CB 1.423 25 residues pruned to eliminate duplicates Z: 28 25.371 2.219 0.740 0.464 0.852 0.556 CB 1.540 28 residues pruned to eliminate duplicates Z: 26 35.831 2.339 0.575 0.653 1.000 0.600 CA 1.687 26 residues pruned to eliminate duplicates Z: 55 38.908 2.321 0.539 0.536 0.870 0.630 CB 1.644 55 residues pruned to eliminate duplicates Z: 40 46.425 2.402 0.799 0.620 0.897 0.615 CB 1.711 40 residues pruned to eliminate duplicates Z: 58 42.890 2.273 0.669 0.554 0.912 0.526 CB 1.558 58 residues pruned to eliminate duplicates Z: 58 50.598 2.348 0.584 0.610 0.947 0.614 CA 1.714 58 residues pruned to eliminate duplicates Z: 120 49.317 2.328 0.424 0.515 0.882 0.555 CB 1.523 120 residues pruned to eliminate duplicates Z: 53 47.935 2.423 0.612 0.606 0.942 0.615 CB 1.634 53 residues pruned to eliminate duplicates Z: 57 41.526 2.360 0.469 0.589 0.946 0.571 CB 1.553 57 residues pruned to eliminate duplicates Z: 30 31.525 2.340 0.691 0.525 0.897 0.655 CB 1.610 30 residues pruned to eliminate duplicates Z: 60 49.705 2.319 0.656 0.586 0.949 0.644 CB 1.635 60 residues pruned to eliminate duplicates Z: 66 48.049 2.347 0.600 0.560 0.908 0.600 CB 1.650 66 residues pruned to eliminate duplicates Z: 55 45.513 2.403 0.652 0.579 0.907 0.648 CB 1.593 55 residues pruned to eliminate duplicates Z: 49 50.908 2.409 0.719 0.611 0.938 0.604 CB 1.703 49 residues pruned to eliminate duplicates Z: 67 53.126 2.384 0.642 0.574 0.955 0.652 CB 1.629 67 residues pruned to eliminate duplicates Z: 64 51.797 2.381 0.659 0.550 0.937 0.508 CB 1.681 64 residues pruned to eliminate duplicates Z: 51 50.560 2.415 0.652 0.598 0.920 0.640 CB 1.775 51 residues pruned to eliminate duplicates Z: 73 44.638 2.361 0.526 0.548 0.931 0.583 CB 1.497 73 residues pruned to eliminate duplicates Z: 44 27.455 2.306 0.475 0.475 0.791 0.512 CB 1.596 44 residues pruned to eliminate duplicates Z: 53 46.128 2.427 0.586 0.595 0.923 0.654 CB 1.644 53 residues pruned to eliminate duplicates Z: 79 46.705 2.363 0.480 0.535 0.936 0.628 CB 1.561 79 residues pruned to eliminate duplicates Z: 63 47.212 2.419 0.666 0.537 0.887 0.484 CB 1.617 63 residues pruned to eliminate duplicates Z: 69 33.411 2.290 0.459 0.459 0.824 0.588 CB 1.535 69 residues pruned to eliminate duplicates Z: 55 41.602 2.337 0.561 0.546 0.907 0.519 CB 1.635 55 residues pruned to eliminate duplicates Z: 51 43.097 2.351 0.653 0.590 0.880 0.520 CB 1.634 51 residues pruned to eliminate duplicates Z: 31 33.881 2.315 0.476 0.606 0.967 0.500 CB 1.693 31 residues pruned to eliminate duplicates Z: 34 30.328 2.277 0.513 0.545 0.909 0.545 CB 1.612 34 residues pruned to eliminate duplicates Z: 43 44.600 2.373 0.659 0.575 0.952 0.619 CB 1.707 43 residues pruned to eliminate duplicates Z: 48 49.240 2.393 0.720 0.575 0.936 0.596 CB 1.734 48 residues pruned to eliminate duplicates Z: 51 48.965 2.397 0.674 0.577 0.920 0.520 CA 1.742 51 residues pruned to eliminate duplicates Z: 57 54.174 2.381 0.661 0.583 0.964 0.554 CB 1.752 57 residues pruned to eliminate duplicates Z: 69 32.463 2.288 0.398 0.450 0.882 0.456 CB 1.469 69 residues pruned to eliminate duplicates Z: 50 51.296 2.381 0.661 0.623 0.959 0.612 CB 1.720 50 residues pruned to eliminate duplicates Z: 58 32.431 2.278 0.465 0.492 0.930 0.579 CB 1.396 58 residues pruned to eliminate duplicates Z: 68 49.170 2.314 0.568 0.541 0.955 0.597 CB 1.666 68 residues pruned to eliminate duplicates Z: 53 46.716 2.420 0.515 0.601 0.962 0.692 CB 1.669 53 residues pruned to eliminate duplicates Z: 38 35.764 2.388 0.512 0.538 0.919 0.676 CB 1.707 38 residues pruned to eliminate duplicates Z: 63 43.728 2.397 0.553 0.531 0.919 0.565 CB 1.573 63 residues pruned to eliminate duplicates Z: 37 43.122 2.399 0.695 0.559 0.972 0.639 CB 1.717 37 residues pruned to eliminate duplicates Z: 38 35.311 2.356 0.557 0.536 0.946 0.622 CB 1.614 38 residues pruned to eliminate duplicates Z: 40 39.471 2.418 0.567 0.552 0.923 0.564 CB 1.718 40 residues pruned to eliminate duplicates Z: 61 54.412 2.419 0.684 0.556 0.950 0.650 CB 1.719 61 residues pruned to eliminate duplicates Z: 38 38.881 2.382 0.700 0.536 0.946 0.676 CB 1.611 38 residues pruned to eliminate duplicates Z: 29 15.393 2.187 0.381 0.418 0.857 0.429 CB 1.224 29 residues pruned to eliminate duplicates Z: 75 44.855 2.358 0.631 0.497 0.865 0.581 CB 1.572 75 residues pruned to eliminate duplicates Z: 130 50.562 2.310 0.422 0.498 0.907 0.504 CB 1.497 130 residues pruned to eliminate duplicates Z: 27 14.435 2.297 0.317 0.398 0.846 0.500 CB 1.231 27 residues pruned to eliminate duplicates Z: 82 46.956 2.342 0.566 0.511 0.889 0.556 CB 1.583 82 residues pruned to eliminate duplicates Z: 175 65.150 2.324 0.513 0.521 0.891 0.552 CB 1.544 175 residues pruned to eliminate duplicates Z: 92 45.449 2.332 0.563 0.464 0.879 0.484 CB 1.542 92 residues pruned to eliminate duplicates Z: 80 39.275 2.266 0.546 0.475 0.886 0.494 CB 1.460 80 residues pruned to eliminate duplicates Z: 55 36.423 2.325 0.502 0.495 0.926 0.481 CB 1.541 55 residues pruned to eliminate duplicates Z: 30 15.343 2.219 0.266 0.333 0.828 0.448 CB 1.470 30 residues pruned to eliminate duplicates Z: 47 19.053 2.214 0.202 0.382 0.848 0.370 CB 1.412 47 residues pruned to eliminate duplicates Z: 15 12.192 2.160 0.302 0.494 0.857 0.643 CB 1.360 15 residues pruned to eliminate duplicates Z: 89 44.706 2.306 0.503 0.458 0.898 0.534 CB 1.598 89 residues pruned to eliminate duplicates Z: 77 47.830 2.350 0.633 0.512 0.895 0.618 CB 1.579 77 residues pruned to eliminate duplicates Z: 33 18.807 2.289 0.440 0.406 0.812 0.469 CB 1.370 33 residues pruned to eliminate duplicates Z: 73 46.709 2.333 0.591 0.511 0.931 0.583 CB 1.576 73 residues pruned to eliminate duplicates Z: 76 46.585 2.338 0.575 0.515 0.920 0.640 CB 1.565 76 residues pruned to eliminate duplicates Z: 128 41.481 2.264 0.338 0.477 0.827 0.480 CB 1.504 128 residues pruned to eliminate duplicates Z: 78 38.456 2.264 0.464 0.492 0.883 0.377 CB 1.510 78 residues pruned to eliminate duplicates Z: 119 56.744 2.346 0.476 0.544 0.898 0.525 CB 1.609 119 residues pruned to eliminate duplicates Z: 92 46.836 2.296 0.549 0.470 0.912 0.527 CB 1.560 92 residues pruned to eliminate duplicates Z: 111 54.371 2.324 0.501 0.530 0.873 0.555 CB 1.653 111 residues pruned to eliminate duplicates Z: 15 7.862 2.143 0.208 0.304 0.643 0.429 CA 1.569 15 residues pruned to eliminate duplicates Z: 25 15.012 2.216 0.399 0.331 0.833 0.417 CB 1.427 25 residues pruned to eliminate duplicates Z: 30 17.591 2.145 0.528 0.430 0.793 0.414 CB 1.351 30 residues pruned to eliminate duplicates Z: 178 72.656 2.328 0.564 0.531 0.938 0.542 CB 1.552 178 residues pruned to eliminate duplicates Z: 32 17.032 2.182 0.443 0.421 0.839 0.452 CB 1.258 32 residues pruned to eliminate duplicates Z: 98 50.030 2.341 0.425 0.561 0.918 0.546 CB 1.564 98 residues pruned to eliminate duplicates Z: 115 50.839 2.302 0.420 0.523 0.930 0.474 CB 1.532 115 residues pruned to eliminate duplicates Z: 16 15.159 2.261 0.501 0.399 0.800 0.667 CB 1.602 16 residues pruned to eliminate duplicates Z: 27 18.179 2.217 0.443 0.446 0.846 0.462 CB 1.393 27 residues pruned to eliminate duplicates Z: 114 59.452 2.347 0.560 0.553 0.903 0.584 CB 1.607 114 residues pruned to eliminate duplicates Z: 106 47.941 2.297 0.415 0.522 0.914 0.552 CB 1.540 106 residues pruned to eliminate duplicates Z: 39 34.071 2.347 0.482 0.626 0.842 0.474 CB 1.676 39 residues pruned to eliminate duplicates Z: 116 51.507 2.300 0.472 0.547 0.896 0.522 CB 1.513 116 residues pruned to eliminate duplicates Z: 111 50.470 2.311 0.431 0.547 0.909 0.573 CB 1.528 111 residues pruned to eliminate duplicates Z: 178 63.599 2.294 0.460 0.513 0.915 0.486 CB 1.539 178 residues pruned to eliminate duplicates Z: 123 61.452 2.371 0.583 0.537 0.902 0.598 CB 1.586 123 residues pruned to eliminate duplicates Z: 107 44.876 2.280 0.411 0.528 0.877 0.519 CB 1.502 107 residues pruned to eliminate duplicates Z: 26 34.147 2.349 0.521 0.767 0.920 0.720 CB 1.640 26 residues pruned to eliminate duplicates Z: 122 52.110 2.300 0.416 0.515 0.926 0.512 CB 1.548 122 residues pruned to eliminate duplicates Z: 23 35.260 2.292 0.618 0.760 0.909 0.500 CB 1.769 23 residues pruned to eliminate duplicates Z: 25 35.410 2.246 0.580 0.816 0.958 0.625 CB 1.615 25 residues pruned to eliminate duplicates Z: 21 36.903 2.374 0.421 0.872 1.000 0.650 CB 1.782 21 residues pruned to eliminate duplicates Z: 104 49.905 2.347 0.386 0.555 0.942 0.573 CB 1.522 104 residues pruned to eliminate duplicates Z: 146 65.661 2.335 0.555 0.549 0.917 0.600 CB 1.560 146 residues pruned to eliminate duplicates Z: 89 46.653 2.298 0.401 0.581 0.909 0.670 CB 1.571 89 residues pruned to eliminate duplicates Z: 165 68.244 2.347 0.532 0.563 0.902 0.561 CB 1.545 165 residues pruned to eliminate duplicates Z: 95 46.356 2.327 0.419 0.547 0.883 0.564 CB 1.566 95 residues pruned to eliminate duplicates Z: 155 56.889 2.311 0.440 0.506 0.890 0.506 CB 1.539 155 residues pruned to eliminate duplicates Z: 75 50.574 2.366 0.505 0.607 0.919 0.486 CB 1.624 75 residues pruned to eliminate duplicates Z: 106 51.692 2.304 0.498 0.557 0.914 0.543 CB 1.514 106 residues pruned to eliminate duplicates Z: 181 70.818 2.315 0.553 0.529 0.917 0.572 CB 1.557 181 residues pruned to eliminate duplicates Z: 90 46.384 2.310 0.431 0.552 0.921 0.596 CB 1.534 90 residues pruned to eliminate duplicates Z: 28 35.198 2.310 0.567 0.773 0.926 0.630 CB 1.588 28 residues pruned to eliminate duplicates Z: 41 34.740 2.310 0.550 0.597 0.875 0.550 CB 1.599 41 residues pruned to eliminate duplicates Z: 99 44.195 2.247 0.491 0.534 0.867 0.520 CB 1.485 99 residues pruned to eliminate duplicates Z: 51 35.123 2.305 0.557 0.544 0.860 0.420 CB 1.541 51 residues pruned to eliminate duplicates Z: 114 49.200 2.255 0.453 0.548 0.894 0.513 CB 1.508 114 residues pruned to eliminate duplicates Z: 79 52.837 2.335 0.589 0.599 0.962 0.538 CB 1.525 79 residues pruned to eliminate duplicates Z: 49 36.808 2.340 0.574 0.587 0.875 0.479 CB 1.516 49 residues pruned to eliminate duplicates Z: 100 47.363 2.226 0.512 0.573 0.899 0.545 CB 1.465 100 residues pruned to eliminate duplicates Z: 127 60.257 2.356 0.554 0.525 0.889 0.476 CB 1.608 127 residues pruned to eliminate duplicates Z: 129 62.777 2.349 0.602 0.564 0.906 0.500 CB 1.530 129 residues pruned to eliminate duplicates Z: 49 38.865 2.356 0.600 0.578 0.854 0.375 CB 1.616 49 residues pruned to eliminate duplicates Z: 64 47.264 2.335 0.573 0.613 0.905 0.540 CB 1.610 64 residues pruned to eliminate duplicates Z: 86 46.214 2.315 0.467 0.547 0.918 0.576 CB 1.538 86 residues pruned to eliminate duplicates Z: 52 42.860 2.354 0.523 0.683 0.902 0.451 CB 1.569 52 residues pruned to eliminate duplicates Z: 46 46.677 2.401 0.538 0.658 0.978 0.511 CB 1.665 46 residues pruned to eliminate duplicates Z: 84 48.072 2.287 0.546 0.583 0.904 0.506 CB 1.526 84 residues pruned to eliminate duplicates Z: 68 44.213 2.274 0.569 0.633 0.866 0.507 CB 1.543 68 residues pruned to eliminate duplicates Z: 89 52.342 2.309 0.559 0.570 0.943 0.580 CB 1.536 89 residues pruned to eliminate duplicates Z: 77 50.920 2.367 0.511 0.596 0.921 0.579 CB 1.618 77 residues pruned to eliminate duplicates Z: 106 49.629 2.277 0.478 0.540 0.914 0.486 CB 1.513 106 residues pruned to eliminate duplicates Z: 77 48.462 2.323 0.562 0.564 0.908 0.487 CB 1.587 77 residues pruned to eliminate duplicates Z: 116 52.786 2.287 0.552 0.534 0.913 0.487 CB 1.468 116 residues pruned to eliminate duplicates Z: 61 36.067 2.274 0.407 0.491 0.967 0.550 CB 1.519 61 residues pruned to eliminate duplicates Z: 114 47.480 2.283 0.422 0.507 0.903 0.513 CB 1.513 114 residues pruned to eliminate duplicates Z: 61 50.594 2.405 0.555 0.621 0.950 0.517 CB 1.641 61 residues pruned to eliminate duplicates Z: 89 48.905 2.311 0.508 0.550 0.909 0.591 CB 1.567 89 residues pruned to eliminate duplicates Z: 28 31.042 2.340 0.598 0.573 0.963 0.593 CB 1.547 28 residues pruned to eliminate duplicates Z: 65 48.455 2.352 0.610 0.601 0.953 0.562 CB 1.524 65 residues pruned to eliminate duplicates Z: 105 55.235 2.309 0.580 0.543 0.913 0.548 CB 1.559 105 residues pruned to eliminate duplicates Z: 100 50.471 2.322 0.474 0.548 0.919 0.455 CB 1.539 100 residues pruned to eliminate duplicates Z: 75 45.392 2.306 0.566 0.566 0.878 0.514 CB 1.561 75 residues pruned to eliminate duplicates Z: 89 51.874 2.329 0.612 0.548 0.898 0.489 CB 1.566 89 residues pruned to eliminate duplicates Z: 67 48.878 2.334 0.575 0.577 0.939 0.545 CB 1.618 67 residues pruned to eliminate duplicates Z: 88 52.925 2.341 0.628 0.556 0.897 0.632 CB 1.573 88 residues pruned to eliminate duplicates Z: 87 54.671 2.344 0.605 0.559 0.942 0.453 CB 1.571 87 residues pruned to eliminate duplicates Z: 179 72.402 2.333 0.575 0.553 0.921 0.584 CB 1.523 192 residues pruned to eliminate duplicates Z: 6 6.541 1.956 0.111 0.429 1.000 0.400 CA 1.449 6 residues pruned to eliminate duplicates Z: 106 45.809 2.254 0.538 0.542 0.857 0.514 CB 1.444 106 residues pruned to eliminate duplicates Z: 89 49.794 2.300 0.583 0.548 0.920 0.432 CB 1.511 89 residues pruned to eliminate duplicates Z: 154 62.511 2.334 0.524 0.527 0.902 0.503 CB 1.533 154 residues pruned to eliminate duplicates Z: 88 48.218 2.271 0.625 0.577 0.908 0.529 CB 1.433 88 residues pruned to eliminate duplicates Z: 181 74.952 2.336 0.578 0.534 0.933 0.594 CB 1.570 178 residues pruned to eliminate duplicates Z: 11 15.506 2.018 0.534 0.832 1.000 0.700 CB 1.189 11 residues pruned to eliminate duplicates Z: 25 16.650 2.207 0.472 0.447 0.792 0.500 CB 1.395 25 residues pruned to eliminate duplicates Z: 132 50.090 2.277 0.533 0.502 0.855 0.489 CB 1.463 133 residues pruned to eliminate duplicates Z: 11 19.828 2.017 0.638 0.815 1.000 0.300 CB 1.444 11 residues pruned to eliminate duplicates Z: 89 58.029 2.317 0.699 0.565 0.966 0.477 CB 1.528 89 residues pruned to eliminate duplicates Z: 9 13.727 2.186 0.789 0.788 0.875 0.250 CB 1.101 9 residues pruned to eliminate duplicates Z: 37 24.849 2.235 0.508 0.387 0.944 0.444 CB 1.467 37 residues pruned to eliminate duplicates Z: 108 44.060 2.225 0.546 0.501 0.841 0.449 CB 1.470 108 residues pruned to eliminate duplicates Z: 37 22.893 2.264 0.364 0.390 0.972 0.500 CB 1.428 37 residues pruned to eliminate duplicates Z: 12 18.099 2.113 0.481 0.634 0.909 0.545 CB 1.692 12 residues pruned to eliminate duplicates Z: 87 54.102 2.315 0.681 0.565 0.930 0.442 CB 1.513 87 residues pruned to eliminate duplicates Z: 131 55.525 2.292 0.546 0.515 0.923 0.492 CB 1.467 131 residues pruned to eliminate duplicates Z: 27 19.443 2.175 0.545 0.427 0.885 0.538 CB 1.384 27 residues pruned to eliminate duplicates Z: 90 48.796 2.319 0.594 0.556 0.876 0.551 CB 1.512 90 residues pruned to eliminate duplicates Z: 25 20.815 2.235 0.584 0.449 0.875 0.500 CB 1.445 25 residues pruned to eliminate duplicates Z: 88 47.813 2.300 0.553 0.560 0.874 0.529 CB 1.550 88 residues pruned to eliminate duplicates Z: 84 54.534 2.323 0.642 0.584 0.940 0.602 CB 1.540 84 residues pruned to eliminate duplicates Z: 59 33.821 2.265 0.447 0.494 0.931 0.569 CB 1.464 59 residues pruned to eliminate duplicates Z: 33 21.965 2.205 0.469 0.400 0.938 0.500 CB 1.421 33 residues pruned to eliminate duplicates Z: 26 22.848 2.218 0.491 0.474 1.000 0.520 CB 1.418 26 residues pruned to eliminate duplicates Z: 182 73.304 2.321 0.594 0.526 0.934 0.564 CB 1.537 182 residues pruned to eliminate duplicates Z: 86 57.457 2.359 0.630 0.579 0.941 0.541 CB 1.596 86 residues pruned to eliminate duplicates Z: 114 49.348 2.254 0.477 0.568 0.894 0.522 CB 1.461 101 residues pruned to eliminate duplicates Z: 15 12.834 1.990 0.050 0.705 0.929 0.643 CB 1.467 15 residues pruned to eliminate duplicates Z: 101 50.735 2.283 0.533 0.567 0.900 0.560 CB 1.510 101 residues pruned to eliminate duplicates Z: 128 56.416 2.260 0.535 0.549 0.937 0.457 CB 1.468 128 residues pruned to eliminate duplicates Z: 47 27.295 2.171 0.491 0.457 0.935 0.587 CB 1.391 48 residues pruned to eliminate duplicates Z: 10 16.425 1.951 0.395 0.904 1.000 0.667 CB 1.433 9 residues pruned to eliminate duplicates Z: 11 15.072 1.933 0.341 0.890 1.000 0.700 CB 1.323 11 residues pruned to eliminate duplicates Z: 11 16.359 1.793 0.660 0.886 1.000 0.700 CB 1.254 10 residues pruned to eliminate duplicates Z: 11 16.697 1.932 0.480 0.873 1.000 0.700 CB 1.345 12 residues pruned to eliminate duplicates Z: 10 16.130 1.894 0.610 0.846 1.000 0.556 CB 1.309 10 residues pruned to eliminate duplicates Z: 11 15.210 1.907 0.588 0.852 0.900 0.700 CB 1.305 11 residues pruned to eliminate duplicates Z: 14 10.728 1.841 0.365 0.552 0.923 0.692 CB 1.220 14 residues pruned to eliminate duplicates Z: 11 13.983 2.047 0.268 0.739 1.000 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 9 16.292 2.140 0.589 0.712 0.875 0.750 CB 1.597 9 residues pruned to eliminate duplicates Z: 11 10.425 1.835 0.383 0.570 0.900 0.700 CB 1.349 12 residues pruned to eliminate duplicates Z: 6 5.864 1.786 0.692 0.370 0.800 0.600 CA 1.247 6 residues pruned to eliminate duplicates Z: 11 12.554 1.922 0.489 0.565 0.900 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 27 27.311 2.115 0.374 0.660 1.000 0.808 CB 1.590 28 residues pruned to eliminate duplicates Z: 17 18.874 2.030 0.316 0.758 1.000 0.625 CB 1.403 17 residues pruned to eliminate duplicates Z: 18 17.813 2.026 0.248 0.762 1.000 0.706 CB 1.354 18 residues pruned to eliminate duplicates Z: 63 39.110 2.063 0.485 0.614 0.968 0.468 CB 1.504 63 residues pruned to eliminate duplicates Z: 46 21.062 2.004 0.141 0.596 0.933 0.622 CB 1.342 64 residues pruned to eliminate duplicates Z: 31 20.285 1.953 0.271 0.629 0.933 0.533 CB 1.416 31 residues pruned to eliminate duplicates Z: 60 42.604 2.119 0.516 0.625 1.000 0.441 CB 1.535 60 residues pruned to eliminate duplicates Z: 28 26.225 2.024 0.464 0.684 0.963 0.667 CB 1.494 28 residues pruned to eliminate duplicates Z: 47 26.970 1.982 0.366 0.596 0.978 0.587 CB 1.370 28 residues pruned to eliminate duplicates Z: 15 20.847 2.058 0.722 0.888 0.929 0.643 CB 1.220 15 residues pruned to eliminate duplicates Z: 30 25.741 2.004 0.543 0.618 0.931 0.621 CB 1.484 30 residues pruned to eliminate duplicates Z: 29 23.951 1.981 0.456 0.656 0.929 0.571 CB 1.463 29 residues pruned to eliminate duplicates Z: 32 23.546 1.963 0.444 0.584 0.935 0.484 CB 1.472 32 residues pruned to eliminate duplicates Z: 32 23.205 1.951 0.360 0.600 0.968 0.516 CB 1.475 32 residues pruned to eliminate duplicates Z: 47 22.635 1.941 0.330 0.556 0.913 0.609 CB 1.341 47 residues pruned to eliminate duplicates Z: 30 25.055 2.021 0.505 0.603 0.931 0.655 CB 1.489 30 residues pruned to eliminate duplicates Z: 36 23.395 1.885 0.550 0.551 0.886 0.371 CB 1.454 36 residues pruned to eliminate duplicates Z: 47 28.433 1.995 0.447 0.597 0.978 0.435 CB 1.353 47 residues pruned to eliminate duplicates Z: 17 13.877 1.912 0.189 0.672 0.938 0.625 CB 1.388 17 residues pruned to eliminate duplicates Z: 9 9.659 1.930 0.505 0.464 0.875 0.750 CA 1.394 9 residues pruned to eliminate duplicates Z: 29 25.018 2.021 0.460 0.629 0.964 0.571 CB 1.471 29 residues pruned to eliminate duplicates Z: 30 21.263 2.002 0.384 0.644 0.897 0.448 CB 1.390 30 residues pruned to eliminate duplicates Z: 47 23.164 1.968 0.384 0.581 0.891 0.522 CB 1.301 47 residues pruned to eliminate duplicates Z: 47 29.671 1.986 0.523 0.608 0.957 0.500 CB 1.364 47 residues pruned to eliminate duplicates Z: 21 15.091 2.108 0.238 0.472 0.950 0.650 CB 1.400 Z: 9 19.352 2.296 0.477 0.667 1.000 0.750 CB 1.729 11 residues pruned to eliminate duplicates Z: 7 15.531 2.321 0.338 0.676 1.000 0.667 CB 1.737 7 residues pruned to eliminate duplicates Z: 39 21.833 2.026 0.316 0.573 0.921 0.579 CB 1.344 19 residues pruned to eliminate duplicates Z: 6 13.834 2.227 0.162 0.855 1.000 1.000 CB 1.764 6 residues pruned to eliminate duplicates Z: 16 10.664 1.954 0.206 0.528 0.933 0.867 CB 1.217 16 residues pruned to eliminate duplicates Z: 21 18.578 2.123 0.352 0.507 0.900 0.550 CB 1.596 21 residues pruned to eliminate duplicates Z: 8 18.762 1.926 0.660 0.839 1.000 0.714 CA 1.657 8 residues pruned to eliminate duplicates Z: 20 18.320 2.234 0.333 0.493 0.895 0.579 CB 1.588 20 residues pruned to eliminate duplicates Z: 13 15.331 2.240 0.556 0.538 0.833 0.417 CB 1.469 13 residues pruned to eliminate duplicates Z: 39 25.089 2.145 0.338 0.585 0.921 0.684 CB 1.419 39 residues pruned to eliminate duplicates Z: 15 14.434 1.978 0.127 0.744 0.929 0.786 CB 1.498 15 residues pruned to eliminate duplicates Z: 41 22.839 2.095 0.295 0.561 0.925 0.650 CB 1.356 41 residues pruned to eliminate duplicates Z: 13 16.563 2.093 0.073 0.895 1.000 0.917 CA 1.526 13 residues pruned to eliminate duplicates Z: 39 24.619 2.097 0.351 0.592 0.895 0.658 CB 1.442 39 residues pruned to eliminate duplicates Z: 13 16.088 2.087 0.242 0.852 0.917 0.833 CA 1.446 13 residues pruned to eliminate duplicates Z: 19 17.046 2.032 0.243 0.730 0.944 0.722 CB 1.370 19 residues pruned to eliminate duplicates Z: 15 18.248 1.950 0.382 0.821 1.000 0.643 CA 1.369 15 residues pruned to eliminate duplicates Z: 54 42.507 2.236 0.516 0.597 0.943 0.566 CB 1.664 93 residues pruned to eliminate duplicates Z: 41 25.530 2.087 0.308 0.607 0.925 0.700 CB 1.444 Z: 14 18.248 2.020 0.295 0.804 1.000 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 20 21.621 2.018 0.374 0.776 1.000 0.842 CB 1.402 20 residues pruned to eliminate duplicates Z: 22 18.335 1.923 0.170 0.855 1.000 0.905 CB 1.313 20 residues pruned to eliminate duplicates Z: 21 16.573 1.972 0.266 0.811 0.950 0.850 CB 1.192 21 residues pruned to eliminate duplicates Z: 20 19.158 2.000 0.337 0.761 1.000 0.947 CB 1.303 20 residues pruned to eliminate duplicates Z: 39 16.201 1.908 0.293 0.542 0.868 0.421 CB 1.177 94 residues pruned to eliminate duplicates Z: 69 45.595 2.213 0.490 0.571 0.971 0.559 CB 1.613 69 residues pruned to eliminate duplicates Z: 84 42.967 2.233 0.398 0.524 0.916 0.602 CB 1.611 84 residues pruned to eliminate duplicates Z: 49 36.987 2.222 0.309 0.605 0.958 0.646 CB 1.733 49 residues pruned to eliminate duplicates Z: 102 49.988 2.147 0.522 0.567 0.911 0.594 CB 1.567 68 residues pruned to eliminate duplicates Z: 6 8.041 1.921 0.620 0.460 1.000 0.600 CA 1.203 6 residues pruned to eliminate duplicates Z: 83 50.296 2.267 0.557 0.544 0.927 0.585 CB 1.626 83 residues pruned to eliminate duplicates Z: 58 44.508 2.195 0.540 0.596 0.965 0.684 CB 1.649 58 residues pruned to eliminate duplicates Z: 47 35.477 2.318 0.379 0.516 0.913 0.587 CB 1.764 47 residues pruned to eliminate duplicates Z: 57 43.875 2.283 0.507 0.568 0.946 0.625 CB 1.685 57 residues pruned to eliminate duplicates Z: 72 39.045 2.210 0.311 0.544 0.944 0.563 CB 1.623 72 residues pruned to eliminate duplicates Z: 65 42.313 2.231 0.461 0.576 0.953 0.562 CB 1.582 65 residues pruned to eliminate duplicates Z: 55 39.246 2.241 0.324 0.590 0.963 0.648 CB 1.714 55 residues pruned to eliminate duplicates Z: 74 45.926 2.228 0.425 0.575 0.932 0.616 CA 1.692 74 residues pruned to eliminate duplicates Z: 76 44.214 2.203 0.482 0.552 0.920 0.627 CB 1.615 76 residues pruned to eliminate duplicates Z: 55 44.634 2.243 0.568 0.592 0.926 0.685 CB 1.708 55 residues pruned to eliminate duplicates Z: 49 35.594 2.274 0.514 0.516 0.875 0.562 CA 1.679 49 residues pruned to eliminate duplicates Z: 42 42.285 2.335 0.577 0.640 0.902 0.585 CB 1.743 42 residues pruned to eliminate duplicates Z: 55 42.224 2.219 0.441 0.606 0.963 0.556 CB 1.687 55 residues pruned to eliminate duplicates Z: 55 37.243 2.208 0.425 0.503 0.944 0.556 CB 1.700 55 residues pruned to eliminate duplicates Z: 76 46.414 2.255 0.525 0.558 0.920 0.547 CB 1.602 76 residues pruned to eliminate duplicates Z: 37 36.079 2.269 0.495 0.599 0.972 0.667 CA 1.659 37 residues pruned to eliminate duplicates Z: 55 47.028 2.300 0.608 0.564 0.963 0.537 CB 1.689 55 residues pruned to eliminate duplicates Z: 55 45.660 2.290 0.516 0.586 0.963 0.593 CA 1.712 55 residues pruned to eliminate duplicates Z: 57 37.955 2.181 0.438 0.580 0.911 0.607 CB 1.643 57 residues pruned to eliminate duplicates Z: 54 48.633 2.344 0.600 0.599 0.925 0.660 CA 1.753 54 residues pruned to eliminate duplicates Z: 40 36.706 2.246 0.526 0.587 0.974 0.590 CA 1.620 40 residues pruned to eliminate duplicates Z: 38 40.334 2.283 0.741 0.566 0.946 0.595 CA 1.654 38 residues pruned to eliminate duplicates Z: 37 35.717 2.281 0.675 0.543 0.889 0.556 CA 1.682 37 residues pruned to eliminate duplicates Z: 63 40.005 2.218 0.454 0.520 0.952 0.581 CB 1.623 63 residues pruned to eliminate duplicates Z: 51 47.770 2.240 0.608 0.626 0.960 0.640 CB 1.735 51 residues pruned to eliminate duplicates Z: 65 40.298 2.323 0.456 0.520 0.875 0.578 CB 1.669 65 residues pruned to eliminate duplicates Z: 17 10.636 2.074 0.329 0.292 0.875 0.562 CA 1.391 17 residues pruned to eliminate duplicates Z: 57 47.469 2.238 0.587 0.588 0.964 0.482 CA 1.703 57 residues pruned to eliminate duplicates Z: 76 43.022 2.183 0.507 0.542 0.947 0.573 CB 1.530 76 residues pruned to eliminate duplicates Z: 52 43.151 2.190 0.618 0.570 0.961 0.667 CA 1.658 52 residues pruned to eliminate duplicates Z: 39 31.656 2.258 0.624 0.509 0.842 0.553 CA 1.648 39 residues pruned to eliminate duplicates Z: 52 42.729 2.258 0.469 0.612 0.961 0.608 CB 1.689 52 residues pruned to eliminate duplicates Z: 49 39.701 2.291 0.456 0.529 0.958 0.562 CA 1.742 49 residues pruned to eliminate duplicates Z: 13 12.845 2.228 0.433 0.343 0.917 0.417 CB 1.503 13 residues pruned to eliminate duplicates Z: 6 5.053 1.989 0.393 0.318 0.800 0.200 CA 1.247 6 residues pruned to eliminate duplicates Z: 65 44.957 2.261 0.490 0.565 0.938 0.656 CB 1.671 65 residues pruned to eliminate duplicates Z: 65 41.384 2.240 0.498 0.550 0.922 0.594 CB 1.593 65 residues pruned to eliminate duplicates Z: 9 9.027 2.185 0.236 0.358 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 21 12.991 1.948 0.487 0.449 0.950 0.450 CB 1.112 21 residues pruned to eliminate duplicates Z: 13 9.215 2.085 0.088 0.413 0.917 0.583 CB 1.401 13 residues pruned to eliminate duplicates Z: 50 35.813 2.243 0.434 0.512 0.939 0.571 CB 1.674 50 residues pruned to eliminate duplicates Z: 15 14.144 2.117 0.367 0.406 1.000 0.643 CB 1.441 15 residues pruned to eliminate duplicates Z: 9 7.709 2.166 -0.073 0.442 1.000 0.500 CB 1.441 9 residues pruned to eliminate duplicates Z: 21 12.589 1.904 0.324 0.405 0.900 0.450 CB 1.372 21 residues pruned to eliminate duplicates Z: 19 11.015 2.064 0.230 0.442 0.778 0.500 CB 1.396 19 residues pruned to eliminate duplicates Z: 18 10.744 2.056 0.160 0.408 0.882 0.588 CB 1.363 18 residues pruned to eliminate duplicates Z: 22 9.671 2.017 0.262 0.341 0.810 0.476 CB 1.218 22 residues pruned to eliminate duplicates Z: 55 35.755 2.216 0.538 0.481 0.889 0.574 CA 1.637 55 residues pruned to eliminate duplicates Z: 6 8.106 1.838 0.431 0.690 1.000 0.800 CB 1.159 6 residues pruned to eliminate duplicates 422 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 19 D: 217 E: 148 F: 19 CC for partial structure against native data = 28.22 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.299, Contrast = 0.471, Connect. = 0.746 for dens.mod. cycle 1 = 0.299, Contrast = 0.521, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.654, Connect. = 0.798 for dens.mod. cycle 3 = 0.299, Contrast = 0.667, Connect. = 0.800 for dens.mod. cycle 4 = 0.299, Contrast = 0.681, Connect. = 0.802 for dens.mod. cycle 5 = 0.299, Contrast = 0.689, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.697, Connect. = 0.805 for dens.mod. cycle 7 = 0.299, Contrast = 0.703, Connect. = 0.806 for dens.mod. cycle 8 = 0.299, Contrast = 0.708, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.711, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2895 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 564 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 42.265 2.335 0.808 0.918 0.900 0.600 CB 1.754 B: 6 8.427 1.906 0.237 0.753 0.800 0.800 CA 1.594 C: 32 45.029 2.409 0.740 0.707 0.968 0.484 CB 1.651 21 residues pruned to eliminate duplicates D: 18 40.532 2.332 0.733 0.890 0.941 0.412 CB 1.859 18 residues pruned to eliminate duplicates E: 21 36.368 2.321 0.417 0.938 0.950 0.450 CB 1.810 21 residues pruned to eliminate duplicates F: 7 19.525 2.247 0.455 0.824 1.000 0.667 CA 1.841 G: 59 35.795 2.143 0.378 0.559 0.914 0.603 CB 1.645 7 residues pruned to eliminate duplicates H: 15 25.713 2.163 0.816 0.919 1.000 0.857 CB 1.233 I: 130 56.204 2.304 0.591 0.514 0.891 0.496 CB 1.493 47 residues pruned to eliminate duplicates J: 14 33.605 2.457 0.638 0.909 1.000 0.769 CB 1.644 K: 22 17.995 2.040 0.491 0.512 0.810 0.619 CB 1.576 L: 15 28.357 2.158 0.784 0.811 1.000 0.429 CA 1.501 15 residues pruned to eliminate duplicates M: 98 53.500 2.209 0.564 0.558 0.907 0.526 CB 1.638 53 residues pruned to eliminate duplicates N: 14 38.900 2.442 0.752 0.875 1.000 0.692 CA 1.833 O: 10 13.815 2.051 0.771 0.345 1.000 0.444 CB 1.502 10 residues pruned to eliminate duplicates P: 20 39.535 2.326 0.638 0.902 0.895 0.737 CB 1.897 20 residues pruned to eliminate duplicates Q: 15 27.119 2.261 0.387 0.885 0.929 0.571 CA 1.796 15 residues pruned to eliminate duplicates R: 9 9.226 2.001 0.114 0.758 0.875 0.625 CA 1.330 9 residues pruned to eliminate duplicates S: 16 25.908 2.191 0.458 0.826 1.000 0.333 CA 1.580 16 residues pruned to eliminate duplicates T: 55 33.455 2.219 0.329 0.523 0.963 0.574 CB 1.568 55 residues pruned to eliminate duplicates U: 22 27.566 2.052 0.362 0.902 1.000 0.714 CB 1.535 22 residues pruned to eliminate duplicates V: 13 27.098 2.420 0.358 0.910 1.000 1.000 CB 1.688 13 residues pruned to eliminate duplicates W: 15 20.681 2.288 0.193 0.814 0.929 0.857 CA 1.659 14 residues pruned to eliminate duplicates X: 21 37.511 2.295 0.735 0.900 0.900 0.350 CB 1.672 21 residues pruned to eliminate duplicates Y: 17 20.232 2.238 0.191 0.787 0.938 0.562 CA 1.572 17 residues pruned to eliminate duplicates Z: 16 25.841 2.206 0.493 0.843 0.933 0.800 CB 1.616 16 residues pruned to eliminate duplicates Z: 13 14.345 2.121 -0.023 0.848 1.000 0.833 CB 1.482 14 residues pruned to eliminate duplicates Z: 21 28.264 2.001 0.471 0.886 1.000 0.750 CA 1.550 21 residues pruned to eliminate duplicates Z: 21 21.638 2.026 0.183 0.895 0.950 0.550 CB 1.524 21 residues pruned to eliminate duplicates Z: 15 20.161 2.256 0.085 0.859 1.000 0.929 CA 1.619 15 residues pruned to eliminate duplicates Z: 50 32.884 2.224 0.345 0.541 0.918 0.551 CB 1.644 38 residues pruned to eliminate duplicates Z: 87 55.135 2.347 0.562 0.572 0.953 0.500 CB 1.586 87 residues pruned to eliminate duplicates Z: 21 37.087 2.280 0.406 0.927 1.000 0.950 CB 1.813 21 residues pruned to eliminate duplicates Z: 21 36.115 2.326 0.314 0.935 1.000 0.850 CB 1.842 21 residues pruned to eliminate duplicates Z: 76 50.577 2.357 0.548 0.530 0.933 0.613 CB 1.664 55 residues pruned to eliminate duplicates Z: 15 23.285 2.179 0.328 0.859 0.929 0.500 CA 1.704 15 residues pruned to eliminate duplicates Z: 39 30.555 2.338 0.461 0.499 0.895 0.605 CB 1.624 39 residues pruned to eliminate duplicates Z: 40 21.974 2.356 0.346 0.457 0.846 0.564 CB 1.370 40 residues pruned to eliminate duplicates Z: 9 14.401 1.936 0.302 0.866 0.875 0.875 CA 1.690 9 residues pruned to eliminate duplicates Z: 53 40.798 2.352 0.470 0.686 0.865 0.558 CB 1.594 53 residues pruned to eliminate duplicates Z: 15 25.652 2.143 0.634 0.821 0.929 0.643 CA 1.597 15 residues pruned to eliminate duplicates Z: 14 26.943 2.133 0.604 0.871 0.923 0.462 CB 1.726 14 residues pruned to eliminate duplicates Z: 16 22.506 2.043 0.695 0.869 1.000 0.867 CB 1.226 16 residues pruned to eliminate duplicates Z: 7 6.547 1.673 0.338 0.607 0.833 0.667 C 1.294 7 residues pruned to eliminate duplicates Z: 15 31.796 2.340 0.651 0.835 0.929 0.500 CA 1.774 15 residues pruned to eliminate duplicates Z: 49 24.749 2.026 0.438 0.561 0.896 0.500 CB 1.290 Z: 14 19.006 2.181 0.440 0.754 0.846 0.769 CB 1.583 14 residues pruned to eliminate duplicates Z: 36 30.948 2.226 0.413 0.597 0.971 0.686 CB 1.560 36 residues pruned to eliminate duplicates Z: 40 37.433 2.291 0.476 0.530 0.974 0.615 CA 1.767 40 residues pruned to eliminate duplicates Z: 26 17.190 2.041 0.194 0.557 0.960 0.600 CB 1.391 26 residues pruned to eliminate duplicates Z: 33 17.665 2.284 0.337 0.392 0.781 0.500 CB 1.468 33 residues pruned to eliminate duplicates Z: 13 15.683 2.108 0.217 0.860 0.917 0.833 CB 1.415 13 residues pruned to eliminate duplicates Z: 7 13.260 2.151 0.255 0.870 1.000 1.000 CB 1.464 7 residues pruned to eliminate duplicates Z: 13 23.392 2.310 0.404 0.812 0.917 0.833 CB 1.732 13 residues pruned to eliminate duplicates Z: 9 11.491 1.889 0.192 0.856 0.875 0.625 CA 1.521 9 residues pruned to eliminate duplicates Z: 8 12.803 2.144 0.296 0.867 0.857 0.714 CB 1.487 8 residues pruned to eliminate duplicates Z: 20 36.822 2.302 0.744 0.934 0.842 0.474 CB 1.743 20 residues pruned to eliminate duplicates Z: 14 33.115 2.242 1.093 0.925 1.000 0.308 CB 1.374 14 residues pruned to eliminate duplicates Z: 89 53.352 2.324 0.610 0.565 0.920 0.523 CB 1.550 89 residues pruned to eliminate duplicates Z: 55 34.037 2.285 0.383 0.491 0.889 0.556 CB 1.665 55 residues pruned to eliminate duplicates Z: 7 10.805 1.993 0.148 0.827 1.000 0.833 CB 1.453 7 residues pruned to eliminate duplicates Z: 14 23.050 2.228 0.617 0.879 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 32 29.202 2.362 0.480 0.523 0.871 0.581 CB 1.684 32 residues pruned to eliminate duplicates Z: 22 34.374 2.245 0.352 0.870 0.952 0.810 CB 1.894 22 residues pruned to eliminate duplicates Z: 14 37.991 2.440 0.879 0.911 1.000 0.538 CB 1.629 14 residues pruned to eliminate duplicates Z: 21 15.685 2.174 0.183 0.448 0.900 0.500 CA 1.599 21 residues pruned to eliminate duplicates Z: 13 28.056 2.246 0.792 0.939 1.000 0.750 CB 1.399 13 residues pruned to eliminate duplicates Z: 12 12.363 1.919 0.454 0.812 0.818 0.545 CB 1.244 12 residues pruned to eliminate duplicates Z: 12 10.712 1.863 0.343 0.799 0.818 0.636 CB 1.215 12 residues pruned to eliminate duplicates Z: 21 36.948 2.278 0.621 0.898 0.900 0.800 CB 1.780 21 residues pruned to eliminate duplicates Z: 31 21.676 2.309 0.335 0.451 0.900 0.500 CB 1.499 31 residues pruned to eliminate duplicates Z: 20 20.035 2.084 0.627 0.490 0.842 0.579 CB 1.626 22 residues pruned to eliminate duplicates Z: 12 16.397 1.984 0.451 0.868 0.909 0.636 CB 1.380 Z: 14 20.794 1.889 0.735 0.934 1.000 0.923 CB 1.228 Z: 21 29.321 2.080 0.640 0.901 0.850 0.550 CB 1.614 21 residues pruned to eliminate duplicates Z: 15 37.556 2.380 1.006 0.890 1.000 0.857 CB 1.513 15 residues pruned to eliminate duplicates Z: 11 10.477 2.004 0.182 0.754 0.900 0.600 CA 1.239 11 residues pruned to eliminate duplicates Z: 37 35.182 2.366 0.385 0.617 0.944 0.611 CB 1.697 37 residues pruned to eliminate duplicates Z: 14 30.434 2.385 0.384 0.862 1.000 0.846 CB 1.877 14 residues pruned to eliminate duplicates Z: 10 14.748 2.085 0.210 0.780 0.889 0.556 CA 1.714 10 residues pruned to eliminate duplicates Z: 13 40.077 2.430 0.855 0.861 1.000 0.750 CB 1.886 13 residues pruned to eliminate duplicates Z: 14 14.178 1.883 0.287 0.894 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 14 31.370 2.278 0.746 0.851 0.923 0.692 CA 1.754 14 residues pruned to eliminate duplicates Z: 12 16.171 2.142 0.142 0.890 0.909 0.909 CA 1.576 12 residues pruned to eliminate duplicates Z: 12 19.429 2.008 0.518 0.876 1.000 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 14 15.492 2.137 0.062 0.803 0.923 0.769 CA 1.574 14 residues pruned to eliminate duplicates Z: 21 28.993 2.149 0.580 0.913 0.900 0.400 CB 1.501 21 residues pruned to eliminate duplicates Z: 14 7.592 2.054 0.165 0.356 0.692 0.385 CA 1.485 14 residues pruned to eliminate duplicates Z: 14 31.990 2.273 0.908 0.921 1.000 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 12 19.299 1.980 0.564 0.895 1.000 0.727 CB 1.347 12 residues pruned to eliminate duplicates Z: 12 10.610 2.065 0.420 0.407 0.818 0.636 CB 1.469 12 residues pruned to eliminate duplicates Z: 12 17.331 2.130 0.240 0.837 1.000 0.727 CB 1.480 12 residues pruned to eliminate duplicates Z: 21 32.506 2.139 0.509 0.914 1.000 0.750 CA 1.592 21 residues pruned to eliminate duplicates Z: 36 38.572 2.329 0.590 0.585 0.943 0.629 CA 1.720 36 residues pruned to eliminate duplicates Z: 9 10.066 1.745 0.282 0.856 0.875 0.750 C 1.340 9 residues pruned to eliminate duplicates Z: 13 19.010 2.273 0.258 0.895 1.000 1.000 CA 1.376 13 residues pruned to eliminate duplicates Z: 15 13.972 1.991 0.069 0.919 1.000 0.857 CB 1.237 15 residues pruned to eliminate duplicates Z: 9 13.740 1.840 0.518 0.881 0.875 0.750 CB 1.440 Z: 45 40.110 2.292 0.610 0.496 0.955 0.523 CA 1.722 45 residues pruned to eliminate duplicates Z: 10 14.185 2.153 0.445 0.861 0.778 0.778 CB 1.436 10 residues pruned to eliminate duplicates Z: 19 22.295 2.119 0.614 0.577 0.833 0.667 CB 1.712 21 residues pruned to eliminate duplicates Z: 10 22.773 2.287 0.460 0.845 1.000 0.556 CB 1.690 10 residues pruned to eliminate duplicates Z: 65 43.414 2.397 0.465 0.565 0.891 0.656 CB 1.629 65 residues pruned to eliminate duplicates Z: 131 58.108 2.310 0.527 0.525 0.946 0.477 CB 1.491 131 residues pruned to eliminate duplicates Z: 52 30.264 2.078 0.529 0.550 0.941 0.314 CB 1.350 82 residues pruned to eliminate duplicates Z: 15 24.058 2.144 1.056 0.849 0.929 0.714 CB 1.165 15 residues pruned to eliminate duplicates Z: 16 41.034 2.436 0.642 0.930 1.000 0.467 CB 1.853 16 residues pruned to eliminate duplicates Z: 32 32.498 2.314 0.657 0.524 0.935 0.645 CB 1.590 33 residues pruned to eliminate duplicates Z: 21 23.114 2.030 0.230 0.913 0.950 0.750 CA 1.543 21 residues pruned to eliminate duplicates Z: 15 23.743 2.321 0.433 0.852 0.929 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 10 21.217 2.313 0.534 0.820 0.889 0.667 CB 1.699 10 residues pruned to eliminate duplicates Z: 11 15.360 2.214 0.235 0.793 0.900 0.400 CB 1.527 11 residues pruned to eliminate duplicates Z: 15 24.734 2.156 0.790 0.909 1.000 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 22 32.875 2.108 0.596 0.902 0.952 0.762 CA 1.597 22 residues pruned to eliminate duplicates Z: 13 30.350 2.374 0.570 0.883 1.000 0.750 CA 1.700 13 residues pruned to eliminate duplicates Z: 16 24.758 2.126 0.576 0.872 1.000 0.467 CA 1.390 16 residues pruned to eliminate duplicates Z: 74 53.282 2.338 0.559 0.630 0.945 0.493 CB 1.602 74 residues pruned to eliminate duplicates Z: 20 40.151 2.360 0.681 0.900 0.895 0.526 CB 1.854 20 residues pruned to eliminate duplicates Z: 12 16.376 1.969 0.450 0.856 1.000 0.818 CB 1.275 12 residues pruned to eliminate duplicates Z: 15 24.395 2.172 0.428 0.908 0.929 0.571 CB 1.608 15 residues pruned to eliminate duplicates Z: 13 11.341 2.383 0.497 0.467 0.750 0.500 CB 1.265 13 residues pruned to eliminate duplicates Z: 20 27.980 2.115 0.351 0.923 1.000 0.842 CA 1.578 20 residues pruned to eliminate duplicates Z: 14 15.086 2.081 0.016 0.824 1.000 0.846 CB 1.494 14 residues pruned to eliminate duplicates Z: 39 40.308 2.386 0.607 0.594 0.947 0.605 CB 1.646 39 residues pruned to eliminate duplicates Z: 14 33.606 2.283 1.060 0.919 1.000 0.615 CB 1.397 14 residues pruned to eliminate duplicates Z: 55 52.071 2.312 0.692 0.704 0.944 0.574 CB 1.592 55 residues pruned to eliminate duplicates Z: 87 53.659 2.271 0.657 0.574 0.930 0.465 CB 1.539 87 residues pruned to eliminate duplicates Z: 12 17.009 2.230 0.399 0.839 0.909 0.818 CB 1.351 Z: 107 47.982 2.163 0.512 0.542 0.962 0.462 CB 1.422 80 residues pruned to eliminate duplicates Z: 13 18.759 2.289 0.586 0.395 1.000 0.500 CB 1.667 13 residues pruned to eliminate duplicates Z: 22 28.843 2.095 0.432 0.880 1.000 0.571 CA 1.521 22 residues pruned to eliminate duplicates Z: 15 15.276 1.768 0.376 0.892 0.929 0.857 CB 1.299 Z: 11 15.270 1.997 0.476 0.774 1.000 0.400 CB 1.286 11 residues pruned to eliminate duplicates Z: 15 29.284 2.284 0.572 0.868 1.000 0.714 CA 1.593 15 residues pruned to eliminate duplicates Z: 82 40.986 2.231 0.413 0.511 0.938 0.469 CB 1.523 79 residues pruned to eliminate duplicates Z: 13 13.856 2.120 -0.014 0.908 1.000 0.833 CB 1.359 13 residues pruned to eliminate duplicates Z: 15 27.832 2.279 0.670 0.912 1.000 0.929 CB 1.384 15 residues pruned to eliminate duplicates Z: 7 7.086 1.774 0.239 0.633 0.833 0.333 CB 1.394 7 residues pruned to eliminate duplicates Z: 10 10.490 1.636 0.398 0.874 1.000 0.778 CB 1.113 10 residues pruned to eliminate duplicates Z: 20 26.594 2.207 0.437 0.915 0.895 0.579 CA 1.519 20 residues pruned to eliminate duplicates Z: 15 12.737 2.167 0.492 0.395 0.786 0.643 CB 1.498 15 residues pruned to eliminate duplicates Z: 11 5.800 1.575 0.320 0.452 0.800 0.600 CB 1.159 11 residues pruned to eliminate duplicates Z: 9 10.691 1.590 0.377 0.761 1.000 0.750 CB 1.369 9 residues pruned to eliminate duplicates Z: 16 14.552 2.282 0.534 0.441 0.867 0.667 CB 1.315 16 residues pruned to eliminate duplicates Z: 21 34.489 2.279 0.612 0.897 0.900 0.600 CB 1.670 21 residues pruned to eliminate duplicates Z: 11 13.233 2.212 0.377 0.733 0.800 0.500 CB 1.392 11 residues pruned to eliminate duplicates Z: 18 25.870 2.393 0.316 0.781 0.882 0.529 CB 1.763 18 residues pruned to eliminate duplicates Z: 12 19.706 2.165 0.588 0.864 0.909 0.727 CA 1.394 12 residues pruned to eliminate duplicates Z: 20 25.727 2.195 0.600 0.495 1.000 0.579 CB 1.688 19 residues pruned to eliminate duplicates Z: 14 12.424 2.171 0.410 0.412 1.000 0.615 CB 1.234 14 residues pruned to eliminate duplicates Z: 24 14.930 2.307 0.223 0.480 0.913 0.565 CB 1.233 24 residues pruned to eliminate duplicates Z: 12 12.189 1.977 0.012 0.876 1.000 0.909 CB 1.335 12 residues pruned to eliminate duplicates Z: 20 20.972 2.072 0.515 0.570 0.947 0.684 CB 1.511 19 residues pruned to eliminate duplicates Z: 13 23.190 1.986 0.598 0.867 1.000 0.750 CB 1.544 15 residues pruned to eliminate duplicates Z: 57 37.294 2.228 0.468 0.503 0.964 0.589 CB 1.575 57 residues pruned to eliminate duplicates Z: 11 18.006 2.251 0.330 0.895 1.000 0.800 CB 1.364 11 residues pruned to eliminate duplicates Z: 14 24.639 2.281 0.372 0.831 0.923 0.846 CB 1.776 14 residues pruned to eliminate duplicates Z: 9 8.704 2.097 0.258 0.785 0.750 0.625 CB 1.210 9 residues pruned to eliminate duplicates Z: 15 22.728 2.191 0.485 0.824 0.929 0.500 CA 1.519 15 residues pruned to eliminate duplicates Z: 13 17.279 2.145 0.624 0.917 0.917 0.667 CB 1.103 13 residues pruned to eliminate duplicates Z: 28 27.147 2.302 0.238 0.602 0.963 0.741 CA 1.726 28 residues pruned to eliminate duplicates Z: 27 17.971 1.896 0.602 0.519 0.885 0.500 CB 1.287 27 residues pruned to eliminate duplicates Z: 11 14.965 1.639 0.624 0.854 1.000 0.700 CB 1.313 9 residues pruned to eliminate duplicates Z: 7 7.401 1.832 0.597 0.560 0.833 0.500 CB 1.170 Z: 32 17.878 2.139 0.507 0.410 0.839 0.581 CB 1.306 32 residues pruned to eliminate duplicates Z: 72 30.179 2.247 0.246 0.475 0.873 0.521 CB 1.502 72 residues pruned to eliminate duplicates Z: 13 10.773 2.078 -0.069 0.935 1.000 0.917 CB 1.121 13 residues pruned to eliminate duplicates Z: 20 24.056 2.097 0.616 0.570 0.895 0.737 CB 1.701 19 residues pruned to eliminate duplicates Z: 22 32.722 2.095 0.648 0.896 0.952 0.476 CA 1.555 22 residues pruned to eliminate duplicates Z: 20 25.584 2.124 0.411 0.912 0.947 0.632 CB 1.464 20 residues pruned to eliminate duplicates Z: 21 26.436 2.100 0.615 0.870 0.850 0.650 CA 1.497 21 residues pruned to eliminate duplicates Z: 21 26.447 2.068 0.268 0.925 1.000 0.800 CA 1.583 21 residues pruned to eliminate duplicates Z: 78 55.999 2.302 0.621 0.621 0.935 0.545 CB 1.632 78 residues pruned to eliminate duplicates Z: 9 21.353 1.893 0.879 0.846 1.000 0.625 CB 1.577 9 residues pruned to eliminate duplicates Z: 6 12.717 1.962 0.599 0.835 1.000 0.600 CB 1.357 6 residues pruned to eliminate duplicates Z: 13 20.110 2.299 0.157 0.842 1.000 0.667 CA 1.626 13 residues pruned to eliminate duplicates Z: 12 18.383 2.156 0.575 0.892 0.909 0.727 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 12.721 1.908 0.772 0.572 0.800 0.700 CA 1.387 9 residues pruned to eliminate duplicates Z: 13 21.612 2.225 0.458 0.893 1.000 0.750 CB 1.381 12 residues pruned to eliminate duplicates Z: 69 39.210 2.267 0.524 0.480 0.926 0.471 CB 1.516 69 residues pruned to eliminate duplicates Z: 15 30.927 2.266 0.952 0.911 1.000 0.500 CB 1.325 15 residues pruned to eliminate duplicates Z: 14 17.314 2.092 0.295 0.838 1.000 0.769 CB 1.325 14 residues pruned to eliminate duplicates Z: 57 31.222 2.151 0.515 0.534 0.911 0.429 CB 1.360 57 residues pruned to eliminate duplicates Z: 12 13.466 1.944 0.330 0.786 0.909 0.727 CB 1.343 12 residues pruned to eliminate duplicates Z: 8 14.961 2.039 0.139 0.883 1.000 0.857 CA 1.760 8 residues pruned to eliminate duplicates Z: 55 43.406 2.404 0.573 0.594 0.889 0.611 CB 1.607 55 residues pruned to eliminate duplicates Z: 11 13.040 1.526 0.579 0.878 1.000 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 21 28.236 2.098 0.398 0.919 0.950 0.700 CA 1.596 21 residues pruned to eliminate duplicates Z: 14 15.975 1.886 0.474 0.877 0.846 0.769 CA 1.368 14 residues pruned to eliminate duplicates Z: 22 44.284 2.264 0.786 0.916 1.000 0.667 CB 1.688 22 residues pruned to eliminate duplicates Z: 9 9.364 1.752 0.297 0.830 1.000 0.875 CB 1.095 Z: 11 13.344 2.129 0.375 0.862 0.800 0.600 CA 1.324 11 residues pruned to eliminate duplicates Z: 14 15.560 2.081 0.306 0.838 0.923 0.846 CB 1.286 14 residues pruned to eliminate duplicates Z: 8 17.224 1.998 0.578 0.830 1.000 0.571 CA 1.552 8 residues pruned to eliminate duplicates Z: 72 49.140 2.358 0.409 0.621 0.944 0.606 CB 1.659 72 residues pruned to eliminate duplicates Z: 11 9.273 1.508 0.265 0.852 0.900 0.800 CB 1.264 11 residues pruned to eliminate duplicates Z: 9 24.091 2.114 0.843 0.854 1.000 0.875 CA 1.614 10 residues pruned to eliminate duplicates Z: 33 38.946 2.391 0.514 0.591 0.969 0.750 CB 1.800 33 residues pruned to eliminate duplicates Z: 14 17.616 2.060 0.273 0.829 1.000 0.692 CB 1.402 14 residues pruned to eliminate duplicates Z: 17 7.321 1.852 0.160 0.416 0.938 0.625 CB 0.992 17 residues pruned to eliminate duplicates Z: 13 18.104 2.183 0.320 0.859 1.000 0.667 CB 1.334 13 residues pruned to eliminate duplicates Z: 13 15.061 2.170 0.211 0.860 1.000 0.833 CB 1.217 13 residues pruned to eliminate duplicates Z: 14 21.654 2.345 0.249 0.875 1.000 0.846 CB 1.492 14 residues pruned to eliminate duplicates Z: 38 23.450 2.120 0.324 0.563 0.946 0.541 CB 1.366 38 residues pruned to eliminate duplicates Z: 20 14.881 2.393 0.227 0.428 0.842 0.474 CB 1.488 20 residues pruned to eliminate duplicates Z: 14 13.640 2.151 0.056 0.815 1.000 0.615 CB 1.267 14 residues pruned to eliminate duplicates Z: 9 9.039 2.077 -0.142 0.863 0.875 0.625 O 1.503 9 residues pruned to eliminate duplicates Z: 6 6.493 1.930 0.248 0.672 0.800 0.400 CB 1.286 6 residues pruned to eliminate duplicates Z: 59 28.654 2.099 0.314 0.570 0.948 0.603 CB 1.345 59 residues pruned to eliminate duplicates Z: 6 5.906 1.680 0.286 0.736 1.000 0.400 N 0.989 6 residues pruned to eliminate duplicates Z: 22 41.308 2.276 0.733 0.921 0.952 0.571 CB 1.688 22 residues pruned to eliminate duplicates Z: 14 14.899 2.082 0.016 0.915 1.000 0.538 CB 1.380 14 residues pruned to eliminate duplicates Z: 11 11.833 1.874 0.197 0.893 1.000 0.900 CB 1.198 11 residues pruned to eliminate duplicates Z: 10 8.179 2.103 0.127 0.720 0.667 0.333 CB 1.414 10 residues pruned to eliminate duplicates Z: 68 45.296 2.311 0.524 0.620 0.896 0.582 CB 1.566 68 residues pruned to eliminate duplicates Z: 45 25.105 1.936 0.364 0.637 0.932 0.477 CB 1.352 45 residues pruned to eliminate duplicates Z: 13 19.650 2.182 0.407 0.882 1.000 0.833 CB 1.337 13 residues pruned to eliminate duplicates Z: 6 6.565 1.476 0.626 0.762 1.000 0.600 CB 0.969 6 residues pruned to eliminate duplicates Z: 9 16.108 1.779 0.612 0.873 1.000 0.625 N 1.447 9 residues pruned to eliminate duplicates Z: 15 18.542 2.137 0.275 0.605 1.000 0.643 CB 1.645 15 residues pruned to eliminate duplicates Z: 49 23.834 2.050 0.282 0.578 0.958 0.583 CB 1.266 49 residues pruned to eliminate duplicates Z: 11 12.324 1.636 0.318 0.907 1.000 1.000 CB 1.285 11 residues pruned to eliminate duplicates Z: 9 14.593 2.129 0.688 0.472 0.875 0.625 CA 1.688 9 residues pruned to eliminate duplicates Z: 12 15.845 1.960 0.338 0.900 1.000 0.727 CB 1.301 12 residues pruned to eliminate duplicates Z: 78 49.333 2.336 0.537 0.586 0.909 0.519 CB 1.585 78 residues pruned to eliminate duplicates Z: 6 4.801 1.619 0.354 0.704 0.800 0.600 CA 1.017 6 residues pruned to eliminate duplicates Z: 8 11.021 2.009 0.175 0.860 1.000 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 39 24.257 2.019 0.339 0.595 0.921 0.684 CB 1.443 39 residues pruned to eliminate duplicates Z: 14 18.394 1.913 0.450 0.929 1.000 0.923 CB 1.287 14 residues pruned to eliminate duplicates Z: 129 61.032 2.351 0.507 0.541 0.891 0.523 CB 1.642 129 residues pruned to eliminate duplicates Z: 14 12.730 1.849 0.088 0.916 1.000 0.923 CB 1.240 14 residues pruned to eliminate duplicates Z: 63 38.413 2.115 0.568 0.536 0.887 0.548 CA 1.602 63 residues pruned to eliminate duplicates Z: 8 6.718 1.650 0.300 0.652 1.000 0.714 CB 1.028 8 residues pruned to eliminate duplicates Z: 9 11.473 1.987 0.268 0.486 1.000 0.500 CA 1.632 9 residues pruned to eliminate duplicates Z: 24 17.646 1.955 0.302 0.522 0.957 0.522 CB 1.478 24 residues pruned to eliminate duplicates Z: 13 19.999 1.914 0.612 0.853 1.000 0.583 CA 1.383 13 residues pruned to eliminate duplicates Z: 13 11.417 2.248 0.412 0.417 0.833 0.583 CB 1.359 13 residues pruned to eliminate duplicates Z: 84 59.003 2.339 0.697 0.578 0.964 0.542 CB 1.570 84 residues pruned to eliminate duplicates Z: 20 39.911 2.313 0.694 0.944 0.895 0.421 CB 1.809 20 residues pruned to eliminate duplicates Z: 93 45.233 2.212 0.399 0.509 0.935 0.554 CB 1.616 93 residues pruned to eliminate duplicates Z: 18 19.126 2.097 0.597 0.829 0.765 0.235 CB 1.362 18 residues pruned to eliminate duplicates Z: 7 7.791 1.981 0.711 0.370 1.000 0.500 CA 1.079 7 residues pruned to eliminate duplicates Z: 14 28.587 2.381 0.450 0.912 1.000 0.846 CB 1.627 14 residues pruned to eliminate duplicates Z: 14 20.194 1.945 0.662 0.899 1.000 0.846 CB 1.239 14 residues pruned to eliminate duplicates Z: 21 30.613 2.256 0.433 0.906 0.900 0.500 CB 1.674 21 residues pruned to eliminate duplicates Z: 10 10.706 2.080 0.420 0.365 0.889 0.333 CB 1.572 10 residues pruned to eliminate duplicates Z: 9 10.428 1.826 0.460 0.898 1.000 0.750 CB 0.989 9 residues pruned to eliminate duplicates Z: 14 18.606 2.097 0.422 0.842 1.000 0.692 CB 1.290 14 residues pruned to eliminate duplicates Z: 25 28.270 2.347 0.697 0.506 0.917 0.708 CB 1.572 25 residues pruned to eliminate duplicates Z: 80 43.926 2.315 0.640 0.493 0.873 0.646 CB 1.500 80 residues pruned to eliminate duplicates Z: 15 17.752 2.122 0.191 0.830 1.000 0.643 CB 1.411 15 residues pruned to eliminate duplicates Z: 10 15.266 1.885 0.384 0.794 1.000 0.667 CB 1.508 10 residues pruned to eliminate duplicates Z: 15 17.749 2.127 0.482 0.873 0.929 0.786 CB 1.180 15 residues pruned to eliminate duplicates Z: 52 33.698 2.124 0.364 0.686 0.922 0.471 CB 1.490 52 residues pruned to eliminate duplicates Z: 13 18.883 1.928 0.589 0.802 1.000 0.667 CA 1.367 13 residues pruned to eliminate duplicates Z: 9 11.965 2.465 0.300 0.366 0.875 0.375 CB 1.741 9 residues pruned to eliminate duplicates Z: 15 13.808 2.087 0.140 0.883 1.000 0.786 CB 1.121 15 residues pruned to eliminate duplicates Z: 14 18.934 1.896 0.676 0.919 1.000 0.692 CB 1.164 14 residues pruned to eliminate duplicates Z: 7 8.057 1.979 0.208 0.770 0.833 0.833 CB 1.301 7 residues pruned to eliminate duplicates Z: 73 32.736 2.259 0.461 0.416 0.833 0.500 CB 1.531 73 residues pruned to eliminate duplicates Z: 22 28.974 2.425 0.614 0.579 0.905 0.857 CB 1.655 22 residues pruned to eliminate duplicates Z: 15 24.415 2.258 0.469 0.936 1.000 1.000 CB 1.370 15 residues pruned to eliminate duplicates Z: 28 32.090 2.223 0.528 0.563 0.926 0.444 CA 1.847 28 residues pruned to eliminate duplicates Z: 61 38.778 2.167 0.569 0.572 0.917 0.633 CB 1.498 62 residues pruned to eliminate duplicates Z: 87 49.529 2.356 0.465 0.585 0.895 0.570 CB 1.594 87 residues pruned to eliminate duplicates Z: 43 30.146 2.262 0.505 0.510 0.857 0.500 CB 1.579 43 residues pruned to eliminate duplicates Z: 11 11.594 2.326 0.452 0.470 0.800 0.700 CB 1.399 11 residues pruned to eliminate duplicates Z: 26 29.540 2.294 0.395 0.588 0.960 0.720 CA 1.769 26 residues pruned to eliminate duplicates Z: 169 71.585 2.357 0.512 0.547 0.929 0.565 CB 1.595 169 residues pruned to eliminate duplicates Z: 13 16.319 2.121 0.356 0.880 0.917 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 15 18.843 2.237 0.261 0.817 0.786 0.429 CB 1.726 15 residues pruned to eliminate duplicates Z: 6 5.691 1.514 0.614 0.655 1.000 0.400 CB 0.902 Z: 33 28.867 2.300 0.600 0.535 0.875 0.625 CB 1.531 33 residues pruned to eliminate duplicates Z: 8 13.215 2.003 0.565 0.547 1.000 0.571 CA 1.521 8 residues pruned to eliminate duplicates Z: 7 7.015 2.284 0.217 0.387 1.000 0.500 CB 1.162 7 residues pruned to eliminate duplicates Z: 14 12.903 2.130 0.169 0.807 0.923 0.692 CB 1.191 14 residues pruned to eliminate duplicates Z: 92 52.640 2.253 0.572 0.554 0.945 0.659 CB 1.564 92 residues pruned to eliminate duplicates Z: 12 12.280 1.915 0.127 0.803 0.909 0.545 CB 1.449 12 residues pruned to eliminate duplicates Z: 15 25.594 2.230 0.631 0.806 0.929 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 15 16.010 1.780 0.386 0.844 1.000 0.571 CA 1.291 14 residues pruned to eliminate duplicates Z: 64 39.286 2.292 0.445 0.567 0.905 0.651 CB 1.548 64 residues pruned to eliminate duplicates Z: 14 16.539 1.970 0.441 0.592 1.000 0.615 CB 1.480 14 residues pruned to eliminate duplicates Z: 17 26.518 2.293 0.433 0.714 1.000 0.562 CB 1.662 17 residues pruned to eliminate duplicates Z: 6 6.563 1.844 0.115 0.801 0.800 0.600 N 1.372 6 residues pruned to eliminate duplicates Z: 8 9.349 2.336 -0.169 0.547 1.000 0.429 CB 1.738 8 residues pruned to eliminate duplicates Z: 7 7.593 1.601 0.304 0.824 1.000 0.500 CA 1.121 7 residues pruned to eliminate duplicates Z: 6 5.506 1.650 0.376 0.426 0.800 0.600 CB 1.463 6 residues pruned to eliminate duplicates Z: 14 28.040 2.441 0.503 0.912 1.000 0.692 CB 1.501 14 residues pruned to eliminate duplicates Z: 9 17.556 2.035 0.533 0.820 1.000 0.750 CA 1.507 9 residues pruned to eliminate duplicates Z: 14 35.130 2.490 0.494 0.827 1.000 0.769 CB 1.975 14 residues pruned to eliminate duplicates Z: 12 14.284 1.941 0.409 0.887 0.909 0.727 CB 1.248 12 residues pruned to eliminate duplicates Z: 44 37.672 2.284 0.608 0.577 0.907 0.581 CB 1.602 44 residues pruned to eliminate duplicates Z: 14 18.863 2.120 0.654 0.930 1.000 0.692 CB 1.043 14 residues pruned to eliminate duplicates Z: 14 18.911 1.883 0.566 0.839 1.000 0.615 CB 1.328 15 residues pruned to eliminate duplicates Z: 10 8.354 1.494 0.194 0.898 1.000 1.000 CB 1.117 10 residues pruned to eliminate duplicates Z: 32 24.557 2.320 0.473 0.441 0.968 0.452 CB 1.418 32 residues pruned to eliminate duplicates Z: 105 40.029 2.138 0.415 0.555 0.875 0.452 CB 1.405 105 residues pruned to eliminate duplicates Z: 8 8.057 1.572 0.334 0.848 1.000 0.429 CB 1.077 8 residues pruned to eliminate duplicates Z: 17 11.688 1.854 0.262 0.491 0.938 0.500 CB 1.344 17 residues pruned to eliminate duplicates Z: 9 16.231 1.887 0.413 0.889 1.000 1.000 CB 1.549 9 residues pruned to eliminate duplicates Z: 8 11.682 1.864 0.443 0.777 0.857 0.857 CA 1.499 8 residues pruned to eliminate duplicates Z: 8 8.778 1.919 0.437 0.515 1.000 1.000 CB 1.186 7 residues pruned to eliminate duplicates Z: 21 40.699 2.304 0.692 0.874 0.950 0.350 CB 1.789 21 residues pruned to eliminate duplicates Z: 7 9.033 1.763 0.820 0.633 0.833 0.500 CB 1.217 7 residues pruned to eliminate duplicates Z: 6 4.818 2.065 0.447 0.227 0.800 0.600 CB 1.241 6 residues pruned to eliminate duplicates Z: 21 20.446 1.995 0.557 0.513 0.900 0.600 CB 1.615 21 residues pruned to eliminate duplicates Z: 9 10.289 1.939 0.715 0.558 0.750 0.625 CB 1.378 9 residues pruned to eliminate duplicates Z: 6 2.112 1.633 -0.164 0.411 0.600 0.600 C 1.266 6 residues pruned to eliminate duplicates Z: 13 15.042 2.068 0.093 0.911 1.000 0.917 CB 1.361 13 residues pruned to eliminate duplicates Z: 16 16.841 1.884 0.420 0.608 1.000 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 42 36.650 2.222 0.645 0.507 0.927 0.634 CA 1.677 42 residues pruned to eliminate duplicates Z: 14 18.841 2.132 0.210 0.833 1.000 0.923 CA 1.519 14 residues pruned to eliminate duplicates Z: 10 12.855 1.751 0.436 0.831 1.000 0.778 CA 1.280 10 residues pruned to eliminate duplicates Z: 9 4.053 1.661 0.417 0.400 0.625 0.625 N 1.083 9 residues pruned to eliminate duplicates Z: 50 46.463 2.375 0.684 0.547 0.918 0.592 CB 1.726 50 residues pruned to eliminate duplicates Z: 10 14.551 1.831 0.635 0.817 0.889 0.556 N 1.383 10 residues pruned to eliminate duplicates Z: 118 49.645 2.240 0.511 0.536 0.889 0.547 CB 1.472 118 residues pruned to eliminate duplicates Z: 7 9.041 1.746 0.399 0.773 1.000 0.833 CB 1.187 7 residues pruned to eliminate duplicates Z: 12 18.735 2.133 0.433 0.828 1.000 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 14 15.646 2.119 0.296 0.909 1.000 0.615 CB 1.121 14 residues pruned to eliminate duplicates Z: 6 2.772 1.736 0.110 0.701 0.400 0.200 CB 1.340 6 residues pruned to eliminate duplicates Z: 90 48.880 2.229 0.551 0.523 0.899 0.494 CB 1.629 90 residues pruned to eliminate duplicates Z: 14 16.508 2.194 0.092 0.924 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 128 48.038 2.285 0.421 0.494 0.874 0.551 CB 1.511 128 residues pruned to eliminate duplicates Z: 12 20.043 2.145 0.366 0.929 1.000 0.727 CB 1.443 12 residues pruned to eliminate duplicates Z: 32 32.201 2.202 0.521 0.697 0.935 0.710 CA 1.542 32 residues pruned to eliminate duplicates Z: 13 8.534 1.802 0.141 0.757 0.833 0.583 CB 1.144 13 residues pruned to eliminate duplicates Z: 21 27.736 2.068 0.465 0.919 0.950 0.550 CB 1.519 21 residues pruned to eliminate duplicates Z: 11 10.470 1.748 0.307 0.829 0.900 0.900 CB 1.212 11 residues pruned to eliminate duplicates Z: 7 9.954 1.995 0.375 0.726 0.833 0.833 CB 1.450 7 residues pruned to eliminate duplicates Z: 9 7.099 1.712 0.296 0.659 0.750 0.500 CA 1.302 9 residues pruned to eliminate duplicates Z: 38 27.963 2.170 0.270 0.600 0.973 0.757 CB 1.559 38 residues pruned to eliminate duplicates Z: 6 2.112 1.226 0.301 0.356 0.800 0.400 N 0.865 Z: 11 16.835 1.886 0.530 0.884 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 15 18.965 2.140 0.454 0.840 1.000 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 90 47.967 2.245 0.498 0.561 0.910 0.674 CB 1.566 90 residues pruned to eliminate duplicates Z: 12 20.644 2.056 1.130 0.897 0.909 0.273 CB 1.119 12 residues pruned to eliminate duplicates Z: 10 12.247 1.619 0.418 0.901 1.000 0.889 CB 1.269 10 residues pruned to eliminate duplicates Z: 9 8.749 1.583 0.678 0.779 0.875 0.750 CB 1.041 9 residues pruned to eliminate duplicates Z: 88 49.320 2.243 0.545 0.505 0.943 0.483 CB 1.611 88 residues pruned to eliminate duplicates Z: 6 2.121 1.964 -0.068 0.269 0.600 0.200 CB 1.123 6 residues pruned to eliminate duplicates Z: 87 55.807 2.336 0.648 0.585 0.919 0.453 CB 1.568 87 residues pruned to eliminate duplicates Z: 7 6.703 1.608 0.419 0.717 0.833 0.667 CB 1.183 7 residues pruned to eliminate duplicates Z: 8 8.490 1.808 0.256 0.759 0.857 0.571 CB 1.310 8 residues pruned to eliminate duplicates Z: 42 19.072 2.009 0.334 0.515 0.854 0.634 CB 1.283 42 residues pruned to eliminate duplicates Z: 9 12.776 2.385 0.506 0.412 0.875 0.750 CB 1.576 9 residues pruned to eliminate duplicates Z: 14 13.549 2.009 0.211 0.898 1.000 0.846 CB 1.104 14 residues pruned to eliminate duplicates Z: 33 16.350 2.193 0.263 0.421 0.875 0.531 CB 1.295 33 residues pruned to eliminate duplicates Z: 43 33.447 2.236 0.349 0.588 0.929 0.667 CB 1.694 43 residues pruned to eliminate duplicates Z: 15 17.954 1.763 0.470 0.879 1.000 0.857 CA 1.343 14 residues pruned to eliminate duplicates Z: 14 11.682 1.930 0.734 0.362 0.923 0.538 CA 1.217 14 residues pruned to eliminate duplicates Z: 21 19.093 1.987 0.530 0.524 0.900 0.650 CB 1.523 21 residues pruned to eliminate duplicates Z: 13 17.196 1.797 0.547 0.815 1.000 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 11 9.741 1.949 0.043 0.911 1.000 1.000 CB 1.074 11 residues pruned to eliminate duplicates Z: 15 20.266 2.012 0.421 0.814 0.929 0.571 CA 1.553 15 residues pruned to eliminate duplicates Z: 6 3.706 2.100 -0.552 0.823 0.800 0.200 CB 1.663 6 residues pruned to eliminate duplicates Z: 6 5.648 2.165 -0.085 0.661 0.800 0.800 CB 1.373 6 residues pruned to eliminate duplicates Z: 18 24.182 2.462 0.656 0.484 0.882 0.647 CB 1.657 18 residues pruned to eliminate duplicates Z: 9 15.416 1.888 0.451 0.868 1.000 1.000 CB 1.455 9 residues pruned to eliminate duplicates Z: 8 7.806 1.796 0.368 0.695 0.857 0.714 CA 1.172 8 residues pruned to eliminate duplicates Z: 17 8.251 1.850 0.413 0.403 0.875 0.562 CB 0.998 12 residues pruned to eliminate duplicates Z: 48 36.930 2.178 0.639 0.592 0.830 0.447 CB 1.665 48 residues pruned to eliminate duplicates Z: 14 20.417 2.074 0.567 0.928 1.000 0.923 CB 1.220 14 residues pruned to eliminate duplicates Z: 34 21.094 2.176 0.348 0.450 0.939 0.606 CB 1.402 34 residues pruned to eliminate duplicates Z: 14 25.341 2.125 0.659 0.926 0.923 0.308 CB 1.515 14 residues pruned to eliminate duplicates Z: 70 33.360 2.185 0.407 0.501 0.870 0.522 CB 1.501 70 residues pruned to eliminate duplicates Z: 54 38.658 2.194 0.408 0.579 0.943 0.660 CA 1.688 54 residues pruned to eliminate duplicates Z: 8 8.014 1.838 0.159 0.450 1.000 0.714 CB 1.497 8 residues pruned to eliminate duplicates Z: 26 21.887 2.203 0.449 0.439 0.840 0.640 CB 1.738 26 residues pruned to eliminate duplicates Z: 9 16.365 1.878 0.526 0.891 1.000 1.000 CB 1.451 9 residues pruned to eliminate duplicates Z: 189 73.015 2.287 0.591 0.540 0.904 0.537 CB 1.556 189 residues pruned to eliminate duplicates Z: 103 51.859 2.321 0.556 0.535 0.892 0.529 CB 1.540 103 residues pruned to eliminate duplicates Z: 8 4.154 1.610 0.508 0.345 0.714 0.571 CB 1.071 8 residues pruned to eliminate duplicates Z: 6 6.125 1.675 0.341 0.728 1.000 0.800 CA 0.993 6 residues pruned to eliminate duplicates Z: 7 5.694 1.896 0.337 0.416 1.000 0.667 CB 1.000 7 residues pruned to eliminate duplicates Z: 46 24.705 1.928 0.277 0.613 0.978 0.600 CB 1.375 46 residues pruned to eliminate duplicates Z: 51 32.945 2.216 0.508 0.470 0.900 0.580 CB 1.597 51 residues pruned to eliminate duplicates Z: 14 20.070 1.801 0.842 0.942 0.923 0.462 CB 1.260 14 residues pruned to eliminate duplicates Z: 7 3.234 1.479 0.627 0.167 0.833 0.333 CB 0.987 Z: 14 36.705 2.442 0.804 0.888 1.000 0.846 CB 1.665 14 residues pruned to eliminate duplicates Z: 21 30.947 2.090 0.478 0.908 1.000 0.800 CA 1.591 21 residues pruned to eliminate duplicates Z: 45 40.452 2.360 0.611 0.625 0.864 0.523 CB 1.652 45 residues pruned to eliminate duplicates Z: 38 24.203 2.095 0.428 0.510 0.919 0.568 CB 1.433 38 residues pruned to eliminate duplicates 6 1.722 1.439 -0.136 0.296 0.800 0.400 C 0.973 ? Z: 10 12.628 2.147 -0.026 0.929 1.000 1.000 CB 1.408 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 7.245 1.808 0.396 0.437 0.875 0.625 CB 1.238 8 residues pruned to eliminate duplicates Z: 6 7.044 1.791 0.250 0.480 1.000 0.400 CA 1.437 6 residues pruned to eliminate duplicates Z: 8 9.347 1.843 0.636 0.489 0.857 0.571 CA 1.382 9 residues pruned to eliminate duplicates Z: 14 14.950 1.887 0.470 0.792 0.846 0.538 CA 1.367 14 residues pruned to eliminate duplicates Z: 16 20.492 1.816 0.793 0.767 0.933 0.333 CB 1.374 14 residues pruned to eliminate duplicates Z: 13 17.109 1.897 0.625 0.864 0.917 0.500 CA 1.282 15 residues pruned to eliminate duplicates Z: 13 16.723 1.901 0.556 0.805 0.917 0.250 CA 1.364 13 residues pruned to eliminate duplicates Z: 15 19.232 1.877 0.692 0.805 0.857 0.571 CA 1.446 15 residues pruned to eliminate duplicates Z: 15 19.147 1.794 0.865 0.740 0.929 0.429 CA 1.328 15 residues pruned to eliminate duplicates Z: 16 16.907 1.768 0.877 0.758 0.800 0.467 CA 1.307 16 residues pruned to eliminate duplicates Z: 11 12.857 1.734 1.084 0.643 0.800 0.300 CB 1.231 11 residues pruned to eliminate duplicates Z: 16 17.826 1.816 0.734 0.753 0.867 0.467 CB 1.346 16 residues pruned to eliminate duplicates Z: 15 20.246 1.867 0.684 0.807 0.929 0.500 CB 1.418 15 residues pruned to eliminate duplicates Z: 16 16.330 1.762 0.854 0.723 0.800 0.333 CB 1.320 16 residues pruned to eliminate duplicates Z: 22 25.035 2.067 0.617 0.525 1.000 0.762 CB 1.594 22 residues pruned to eliminate duplicates Z: 6 4.300 1.513 0.531 0.430 1.000 0.400 CA 0.893 6 residues pruned to eliminate duplicates Z: 21 26.439 2.029 0.743 0.569 0.950 0.550 CB 1.646 21 residues pruned to eliminate duplicates Z: 11 18.625 2.344 0.760 0.380 1.000 0.600 CB 1.622 12 residues pruned to eliminate duplicates Z: 6 2.531 1.915 -0.023 0.116 0.800 0.200 CB 1.229 6 residues pruned to eliminate duplicates Z: 21 25.269 2.050 0.878 0.566 0.850 0.550 CB 1.619 21 residues pruned to eliminate duplicates Z: 22 25.854 1.982 0.804 0.535 1.000 0.714 CB 1.524 22 residues pruned to eliminate duplicates Z: 20 28.772 2.159 0.799 0.573 0.947 0.632 CB 1.672 20 residues pruned to eliminate duplicates Z: 20 28.691 2.135 0.697 0.536 1.000 0.737 CA 1.752 20 residues pruned to eliminate duplicates Z: 10 25.593 2.176 0.646 0.777 1.000 0.778 N 1.866 10 residues pruned to eliminate duplicates Z: 20 27.254 2.131 0.680 0.573 1.000 0.632 CB 1.628 20 residues pruned to eliminate duplicates Z: 28 29.051 2.187 0.602 0.510 0.926 0.481 CA 1.707 47 residues pruned to eliminate duplicates Z: 20 23.881 2.102 0.796 0.536 0.895 0.737 CB 1.565 Z: 9 21.993 1.963 0.727 0.846 1.000 0.625 N 1.703 9 residues pruned to eliminate duplicates Z: 10 16.090 1.815 0.650 0.770 1.000 0.444 N 1.411 10 residues pruned to eliminate duplicates Z: 35 23.186 1.972 0.392 0.634 0.971 0.647 CB 1.316 35 residues pruned to eliminate duplicates Z: 67 34.536 2.208 0.377 0.571 0.894 0.576 CB 1.460 67 residues pruned to eliminate duplicates Z: 24 20.298 2.073 0.450 0.601 1.000 0.696 CB 1.279 24 residues pruned to eliminate duplicates Z: 24 19.891 2.040 0.371 0.642 0.957 0.609 CB 1.357 24 residues pruned to eliminate duplicates Z: 23 21.871 2.053 0.418 0.665 0.955 0.727 CB 1.441 23 residues pruned to eliminate duplicates Z: 23 17.637 2.102 0.353 0.647 0.864 0.591 CB 1.334 23 residues pruned to eliminate duplicates Z: 20 23.145 2.157 0.578 0.739 0.947 0.684 CB 1.329 20 residues pruned to eliminate duplicates Z: 35 21.754 1.950 0.474 0.610 0.941 0.735 CB 1.243 35 residues pruned to eliminate duplicates Z: 35 22.944 1.961 0.567 0.615 0.912 0.500 CB 1.260 35 residues pruned to eliminate duplicates Z: 22 24.229 2.087 0.566 0.686 0.952 0.571 CB 1.432 22 residues pruned to eliminate duplicates Z: 34 22.106 1.964 0.504 0.598 0.879 0.545 CB 1.350 34 residues pruned to eliminate duplicates Z: 92 48.380 2.271 0.458 0.562 0.923 0.604 CB 1.562 92 residues pruned to eliminate duplicates Z: 25 20.572 2.012 0.373 0.669 1.000 0.667 CB 1.300 25 residues pruned to eliminate duplicates Z: 19 24.425 2.196 0.516 0.783 1.000 0.667 CB 1.348 19 residues pruned to eliminate duplicates Z: 21 26.806 2.110 0.624 0.715 1.000 0.650 CB 1.440 21 residues pruned to eliminate duplicates Z: 9 12.332 1.801 0.490 0.788 0.875 0.875 CB 1.442 9 residues pruned to eliminate duplicates Z: 22 22.089 2.125 0.432 0.690 0.905 0.714 CB 1.470 22 residues pruned to eliminate duplicates Z: 22 23.156 2.083 0.487 0.682 0.952 0.762 CB 1.448 22 residues pruned to eliminate duplicates Z: 26 23.397 2.031 0.459 0.644 0.960 0.720 CB 1.438 26 residues pruned to eliminate duplicates Z: 24 20.095 2.046 0.357 0.651 0.913 0.696 CB 1.436 24 residues pruned to eliminate duplicates Z: 26 21.080 1.995 0.552 0.597 0.960 0.600 CB 1.293 24 residues pruned to eliminate duplicates Z: 12 10.666 1.652 0.299 0.564 1.000 0.455 CB 1.408 12 residues pruned to eliminate duplicates Z: 90 52.940 2.291 0.544 0.575 0.921 0.674 CB 1.601 90 residues pruned to eliminate duplicates Z: 68 40.463 2.339 0.443 0.558 0.881 0.642 CB 1.571 68 residues pruned to eliminate duplicates Z: 9 21.764 2.357 0.855 0.746 0.875 0.875 CB 1.614 9 residues pruned to eliminate duplicates Z: 11 15.280 2.040 0.630 0.710 0.800 0.800 CA 1.502 11 residues pruned to eliminate duplicates Z: 10 18.272 2.238 0.576 0.595 0.889 0.667 CA 1.775 10 residues pruned to eliminate duplicates Z: 9 23.534 2.320 0.912 0.701 0.875 0.750 CB 1.785 9 residues pruned to eliminate duplicates Z: 66 49.193 2.393 0.490 0.586 0.923 0.631 CB 1.707 66 residues pruned to eliminate duplicates Z: 63 48.566 2.362 0.539 0.581 0.919 0.661 CB 1.707 63 residues pruned to eliminate duplicates Z: 89 43.666 2.266 0.445 0.566 0.898 0.568 CB 1.485 89 residues pruned to eliminate duplicates Z: 18 29.329 2.274 0.563 0.756 1.000 0.647 CA 1.593 18 residues pruned to eliminate duplicates Z: 60 41.867 2.357 0.461 0.544 0.915 0.559 CB 1.657 60 residues pruned to eliminate duplicates Z: 46 46.244 2.424 0.530 0.618 0.956 0.622 CB 1.740 46 residues pruned to eliminate duplicates Z: 25 19.740 2.285 0.534 0.486 0.792 0.583 CB 1.473 25 residues pruned to eliminate duplicates Z: 32 31.753 2.308 0.551 0.533 0.935 0.677 CB 1.648 32 residues pruned to eliminate duplicates Z: 29 20.305 2.273 0.471 0.450 0.786 0.536 CB 1.538 29 residues pruned to eliminate duplicates Z: 51 47.110 2.356 0.554 0.591 0.940 0.580 CB 1.774 51 residues pruned to eliminate duplicates Z: 28 26.459 2.294 0.598 0.510 0.852 0.556 CB 1.614 28 residues pruned to eliminate duplicates Z: 23 24.561 2.330 0.696 0.530 0.864 0.636 CB 1.490 23 residues pruned to eliminate duplicates Z: 63 53.470 2.385 0.592 0.583 0.968 0.645 CB 1.706 63 residues pruned to eliminate duplicates Z: 65 47.230 2.384 0.557 0.557 0.906 0.547 CB 1.661 65 residues pruned to eliminate duplicates Z: 32 23.923 2.273 0.613 0.448 0.839 0.516 CB 1.474 32 residues pruned to eliminate duplicates Z: 90 47.555 2.360 0.468 0.509 0.899 0.596 CB 1.604 90 residues pruned to eliminate duplicates Z: 62 49.647 2.400 0.545 0.558 0.951 0.623 CB 1.703 62 residues pruned to eliminate duplicates Z: 67 50.299 2.378 0.567 0.569 0.909 0.621 CB 1.709 67 residues pruned to eliminate duplicates Z: 63 55.320 2.405 0.607 0.600 0.952 0.758 CB 1.737 63 residues pruned to eliminate duplicates Z: 63 47.412 2.366 0.529 0.587 0.919 0.677 CB 1.665 63 residues pruned to eliminate duplicates Z: 43 50.650 2.405 0.741 0.618 0.952 0.595 CB 1.753 43 residues pruned to eliminate duplicates Z: 58 43.142 2.375 0.463 0.559 0.895 0.561 CB 1.736 58 residues pruned to eliminate duplicates Z: 68 52.099 2.342 0.598 0.588 0.955 0.627 CB 1.636 68 residues pruned to eliminate duplicates Z: 56 41.494 2.371 0.554 0.536 0.891 0.564 CB 1.646 56 residues pruned to eliminate duplicates Z: 81 46.609 2.313 0.458 0.556 0.938 0.613 CB 1.562 81 residues pruned to eliminate duplicates Z: 39 32.018 2.356 0.432 0.515 0.895 0.526 CB 1.695 39 residues pruned to eliminate duplicates Z: 36 32.001 2.361 0.378 0.573 0.914 0.600 CB 1.694 36 residues pruned to eliminate duplicates Z: 57 45.129 2.361 0.426 0.586 0.946 0.661 CB 1.743 57 residues pruned to eliminate duplicates Z: 63 50.043 2.392 0.597 0.570 0.919 0.597 CB 1.691 63 residues pruned to eliminate duplicates Z: 49 23.202 2.249 0.239 0.432 0.896 0.562 CB 1.440 49 residues pruned to eliminate duplicates Z: 55 48.324 2.378 0.601 0.579 0.944 0.537 CB 1.696 55 residues pruned to eliminate duplicates Z: 72 45.063 2.261 0.540 0.565 0.930 0.606 CB 1.552 72 residues pruned to eliminate duplicates Z: 78 43.358 2.311 0.564 0.507 0.883 0.610 CB 1.537 78 residues pruned to eliminate duplicates Z: 62 44.644 2.348 0.449 0.564 0.934 0.721 CB 1.689 62 residues pruned to eliminate duplicates Z: 39 21.236 2.205 0.372 0.454 0.763 0.526 CB 1.564 39 residues pruned to eliminate duplicates Z: 56 43.227 2.382 0.518 0.552 0.945 0.636 CB 1.621 56 residues pruned to eliminate duplicates Z: 34 30.929 2.285 0.494 0.564 0.879 0.606 CB 1.687 34 residues pruned to eliminate duplicates Z: 39 42.748 2.377 0.669 0.595 0.921 0.763 CB 1.732 39 residues pruned to eliminate duplicates Z: 51 29.663 2.300 0.403 0.523 0.780 0.540 CB 1.629 51 residues pruned to eliminate duplicates Z: 77 46.751 2.358 0.514 0.525 0.882 0.592 CB 1.662 77 residues pruned to eliminate duplicates Z: 80 48.360 2.367 0.504 0.537 0.937 0.620 CB 1.573 80 residues pruned to eliminate duplicates Z: 63 50.250 2.382 0.490 0.594 0.968 0.677 CB 1.698 63 residues pruned to eliminate duplicates Z: 80 51.748 2.357 0.548 0.547 0.924 0.582 CB 1.648 80 residues pruned to eliminate duplicates Z: 29 17.836 2.302 0.269 0.489 0.821 0.429 CB 1.421 29 residues pruned to eliminate duplicates Z: 41 20.791 2.275 0.298 0.446 0.875 0.500 CB 1.344 41 residues pruned to eliminate duplicates Z: 81 44.204 2.323 0.446 0.537 0.900 0.588 CB 1.576 81 residues pruned to eliminate duplicates Z: 58 32.084 2.302 0.501 0.469 0.842 0.509 CB 1.507 58 residues pruned to eliminate duplicates Z: 15 14.434 2.365 0.475 0.421 0.929 0.643 CB 1.293 15 residues pruned to eliminate duplicates Z: 33 12.616 2.111 0.376 0.336 0.812 0.438 CB 1.131 33 residues pruned to eliminate duplicates Z: 128 52.848 2.325 0.397 0.535 0.906 0.559 CB 1.541 128 residues pruned to eliminate duplicates Z: 61 48.127 2.389 0.529 0.561 0.950 0.633 CB 1.687 61 residues pruned to eliminate duplicates Z: 61 44.506 2.372 0.512 0.573 0.883 0.667 CB 1.691 61 residues pruned to eliminate duplicates Z: 48 18.628 2.158 0.344 0.390 0.766 0.362 CB 1.373 48 residues pruned to eliminate duplicates Z: 79 43.508 2.331 0.528 0.509 0.897 0.526 CB 1.528 79 residues pruned to eliminate duplicates Z: 31 16.140 2.201 0.389 0.442 0.900 0.567 CB 1.136 31 residues pruned to eliminate duplicates Z: 33 16.942 2.219 0.377 0.355 0.844 0.438 CB 1.358 33 residues pruned to eliminate duplicates Z: 53 32.055 2.306 0.440 0.469 0.942 0.558 CB 1.466 53 residues pruned to eliminate duplicates Z: 43 22.733 2.268 0.405 0.392 0.833 0.548 CB 1.480 43 residues pruned to eliminate duplicates Z: 33 18.221 2.201 0.321 0.424 0.844 0.469 CB 1.421 33 residues pruned to eliminate duplicates Z: 28 14.691 2.175 0.434 0.384 0.815 0.407 CB 1.259 28 residues pruned to eliminate duplicates Z: 25 20.616 2.382 0.431 0.427 0.875 0.542 CB 1.523 25 residues pruned to eliminate duplicates Z: 125 57.868 2.349 0.440 0.542 0.895 0.573 CB 1.646 125 residues pruned to eliminate duplicates Z: 112 57.114 2.352 0.426 0.564 0.928 0.577 CB 1.638 112 residues pruned to eliminate duplicates Z: 76 40.203 2.342 0.368 0.532 0.893 0.613 CB 1.571 76 residues pruned to eliminate duplicates Z: 128 56.133 2.321 0.474 0.507 0.898 0.504 CB 1.610 128 residues pruned to eliminate duplicates Z: 145 67.309 2.350 0.468 0.571 0.917 0.569 CB 1.656 145 residues pruned to eliminate duplicates Z: 114 53.063 2.335 0.447 0.532 0.920 0.522 CB 1.555 114 residues pruned to eliminate duplicates Z: 83 42.186 2.372 0.396 0.509 0.878 0.622 CB 1.587 83 residues pruned to eliminate duplicates Z: 142 62.833 2.339 0.451 0.550 0.922 0.631 CB 1.610 142 residues pruned to eliminate duplicates Z: 111 56.382 2.343 0.461 0.543 0.945 0.564 CB 1.593 129 residues pruned to eliminate duplicates Z: 8 9.753 1.794 0.879 0.599 1.000 0.857 CB 0.995 8 residues pruned to eliminate duplicates Z: 43 23.733 2.310 0.424 0.429 0.857 0.571 CB 1.399 43 residues pruned to eliminate duplicates Z: 31 22.681 2.331 0.444 0.438 0.867 0.533 CB 1.514 31 residues pruned to eliminate duplicates Z: 127 52.891 2.327 0.398 0.529 0.921 0.571 CB 1.529 127 residues pruned to eliminate duplicates Z: 94 50.738 2.334 0.493 0.522 0.935 0.613 CB 1.580 94 residues pruned to eliminate duplicates Z: 74 40.974 2.337 0.465 0.535 0.890 0.521 CB 1.520 74 residues pruned to eliminate duplicates Z: 17 14.214 2.143 0.518 0.453 0.812 0.375 CB 1.410 17 residues pruned to eliminate duplicates Z: 29 18.169 2.180 0.407 0.431 0.893 0.536 CB 1.347 29 residues pruned to eliminate duplicates Z: 86 45.060 2.360 0.508 0.509 0.847 0.565 CB 1.608 86 residues pruned to eliminate duplicates Z: 42 21.496 2.293 0.368 0.422 0.854 0.463 CB 1.360 42 residues pruned to eliminate duplicates Z: 116 50.717 2.306 0.415 0.540 0.904 0.522 CB 1.542 116 residues pruned to eliminate duplicates Z: 194 66.496 2.327 0.416 0.534 0.886 0.560 CB 1.585 194 residues pruned to eliminate duplicates Z: 84 43.845 2.342 0.328 0.596 0.904 0.554 CB 1.563 84 residues pruned to eliminate duplicates Z: 142 69.069 2.361 0.563 0.574 0.922 0.582 CB 1.591 142 residues pruned to eliminate duplicates Z: 174 69.017 2.353 0.489 0.523 0.925 0.532 CB 1.583 170 residues pruned to eliminate duplicates Z: 23 39.813 2.330 0.532 0.874 0.955 0.591 CB 1.813 23 residues pruned to eliminate duplicates Z: 54 47.528 2.338 0.549 0.695 0.943 0.660 CB 1.600 54 residues pruned to eliminate duplicates Z: 63 40.137 2.336 0.411 0.536 0.952 0.468 CB 1.569 63 residues pruned to eliminate duplicates Z: 54 46.478 2.347 0.520 0.682 0.925 0.585 CB 1.638 54 residues pruned to eliminate duplicates Z: 84 50.664 2.330 0.473 0.579 0.940 0.530 CB 1.598 84 residues pruned to eliminate duplicates Z: 87 42.809 2.347 0.323 0.567 0.860 0.581 CB 1.619 87 residues pruned to eliminate duplicates Z: 54 41.555 2.327 0.353 0.672 0.943 0.585 CB 1.639 54 residues pruned to eliminate duplicates Z: 90 48.656 2.341 0.483 0.561 0.899 0.562 CB 1.557 90 residues pruned to eliminate duplicates Z: 34 38.846 2.364 0.649 0.684 0.939 0.545 CB 1.560 34 residues pruned to eliminate duplicates Z: 93 48.789 2.326 0.479 0.542 0.902 0.511 CB 1.573 93 residues pruned to eliminate duplicates Z: 119 50.995 2.316 0.468 0.521 0.856 0.525 CB 1.580 119 residues pruned to eliminate duplicates Z: 52 48.858 2.373 0.599 0.692 0.941 0.529 CB 1.607 52 residues pruned to eliminate duplicates Z: 34 37.180 2.326 0.537 0.661 0.939 0.485 CB 1.659 34 residues pruned to eliminate duplicates Z: 87 51.105 2.344 0.517 0.583 0.919 0.523 CB 1.558 87 residues pruned to eliminate duplicates Z: 89 51.239 2.341 0.546 0.546 0.898 0.511 CB 1.607 90 residues pruned to eliminate duplicates Z: 19 30.018 2.228 0.669 0.861 0.833 0.333 CB 1.678 19 residues pruned to eliminate duplicates Z: 54 42.870 2.320 0.488 0.662 0.887 0.528 CB 1.655 54 residues pruned to eliminate duplicates Z: 63 47.374 2.309 0.623 0.637 0.903 0.532 CB 1.563 63 residues pruned to eliminate duplicates Z: 31 41.053 2.426 0.747 0.717 0.867 0.633 CB 1.677 31 residues pruned to eliminate duplicates Z: 48 37.807 2.356 0.531 0.586 0.894 0.468 CB 1.575 48 residues pruned to eliminate duplicates Z: 154 63.064 2.323 0.483 0.526 0.922 0.529 CB 1.565 154 residues pruned to eliminate duplicates Z: 52 47.847 2.340 0.633 0.704 0.902 0.588 CB 1.614 52 residues pruned to eliminate duplicates Z: 115 54.208 2.328 0.527 0.538 0.877 0.553 CB 1.569 115 residues pruned to eliminate duplicates Z: 46 40.582 2.319 0.659 0.660 0.867 0.600 CB 1.564 46 residues pruned to eliminate duplicates Z: 86 53.598 2.327 0.637 0.574 0.929 0.553 CB 1.529 86 residues pruned to eliminate duplicates Z: 118 54.408 2.330 0.454 0.522 0.940 0.521 CB 1.545 118 residues pruned to eliminate duplicates Z: 72 50.841 2.349 0.585 0.601 0.901 0.521 CB 1.633 72 residues pruned to eliminate duplicates Z: 40 43.087 2.384 0.551 0.592 1.000 0.410 CB 1.709 40 residues pruned to eliminate duplicates Z: 105 52.589 2.329 0.476 0.538 0.933 0.519 CB 1.551 105 residues pruned to eliminate duplicates Z: 181 66.807 2.336 0.473 0.529 0.889 0.556 CB 1.582 181 residues pruned to eliminate duplicates Z: 54 50.944 2.352 0.571 0.690 0.962 0.642 CB 1.654 54 residues pruned to eliminate duplicates Z: 63 50.546 2.359 0.585 0.602 0.952 0.581 CB 1.636 63 residues pruned to eliminate duplicates Z: 90 50.134 2.322 0.488 0.560 0.933 0.551 CB 1.556 90 residues pruned to eliminate duplicates Z: 52 45.757 2.383 0.552 0.688 0.882 0.608 CB 1.653 52 residues pruned to eliminate duplicates Z: 98 46.909 2.316 0.478 0.519 0.897 0.515 CB 1.523 98 residues pruned to eliminate duplicates Z: 70 33.583 2.276 0.446 0.449 0.855 0.507 CB 1.514 70 residues pruned to eliminate duplicates Z: 67 36.593 2.320 0.492 0.475 0.864 0.545 CB 1.546 67 residues pruned to eliminate duplicates Z: 61 35.274 2.270 0.498 0.474 0.900 0.500 CB 1.529 61 residues pruned to eliminate duplicates Z: 209 72.638 2.286 0.499 0.536 0.909 0.534 CB 1.562 208 residues pruned to eliminate duplicates Z: 15 25.903 2.182 0.545 0.905 1.000 0.714 CB 1.462 15 residues pruned to eliminate duplicates Z: 89 56.528 2.358 0.590 0.556 0.955 0.500 CB 1.594 89 residues pruned to eliminate duplicates Z: 87 54.893 2.356 0.600 0.569 0.919 0.453 CB 1.599 87 residues pruned to eliminate duplicates Z: 60 31.001 2.248 0.377 0.481 0.898 0.390 CB 1.480 60 residues pruned to eliminate duplicates Z: 113 56.628 2.338 0.529 0.533 0.938 0.491 CB 1.546 113 residues pruned to eliminate duplicates Z: 45 32.029 2.258 0.574 0.516 0.864 0.545 CB 1.548 45 residues pruned to eliminate duplicates Z: 108 52.221 2.332 0.529 0.534 0.916 0.486 CB 1.495 108 residues pruned to eliminate duplicates Z: 79 45.731 2.349 0.610 0.527 0.859 0.397 CB 1.552 79 residues pruned to eliminate duplicates Z: 73 48.881 2.347 0.641 0.540 0.903 0.500 CB 1.594 73 residues pruned to eliminate duplicates Z: 80 49.107 2.340 0.687 0.500 0.899 0.456 CB 1.557 80 residues pruned to eliminate duplicates Z: 82 56.269 2.376 0.652 0.565 0.926 0.420 CB 1.614 82 residues pruned to eliminate duplicates Z: 71 36.788 2.260 0.508 0.434 0.914 0.371 CB 1.510 71 residues pruned to eliminate duplicates Z: 61 34.359 2.241 0.497 0.463 0.883 0.567 CB 1.554 61 residues pruned to eliminate duplicates Z: 102 55.275 2.317 0.553 0.576 0.911 0.525 CB 1.560 89 residues pruned to eliminate duplicates Z: 6 3.115 1.692 0.096 0.338 0.800 0.400 CB 1.122 6 residues pruned to eliminate duplicates Z: 88 48.203 2.301 0.522 0.544 0.908 0.529 CB 1.557 88 residues pruned to eliminate duplicates Z: 22 18.563 2.227 0.313 0.462 0.905 0.476 CB 1.592 22 residues pruned to eliminate duplicates Z: 126 54.352 2.311 0.529 0.523 0.872 0.520 CB 1.542 126 residues pruned to eliminate duplicates Z: 107 52.329 2.316 0.582 0.527 0.887 0.472 CB 1.523 107 residues pruned to eliminate duplicates Z: 59 37.087 2.305 0.530 0.482 0.914 0.534 CB 1.539 59 residues pruned to eliminate duplicates Z: 158 66.942 2.349 0.574 0.514 0.892 0.573 CB 1.598 158 residues pruned to eliminate duplicates Z: 52 38.957 2.295 0.609 0.498 0.922 0.451 CB 1.606 52 residues pruned to eliminate duplicates Z: 59 43.221 2.352 0.541 0.529 0.966 0.517 CB 1.576 59 residues pruned to eliminate duplicates Z: 80 52.076 2.345 0.642 0.536 0.911 0.595 CB 1.611 80 residues pruned to eliminate duplicates Z: 81 50.389 2.347 0.652 0.538 0.887 0.512 CB 1.577 81 residues pruned to eliminate duplicates Z: 67 41.375 2.318 0.505 0.490 0.955 0.606 CB 1.545 67 residues pruned to eliminate duplicates Z: 77 47.067 2.325 0.589 0.530 0.895 0.553 CB 1.585 77 residues pruned to eliminate duplicates Z: 88 51.993 2.325 0.596 0.552 0.920 0.517 CB 1.553 88 residues pruned to eliminate duplicates Z: 86 56.158 2.386 0.569 0.572 0.918 0.529 CB 1.654 86 residues pruned to eliminate duplicates Z: 37 23.863 2.272 0.435 0.402 0.917 0.556 CB 1.475 37 residues pruned to eliminate duplicates Z: 87 56.509 2.366 0.641 0.568 0.907 0.465 CB 1.620 87 residues pruned to eliminate duplicates Z: 36 23.159 2.239 0.387 0.426 0.943 0.486 CB 1.445 36 residues pruned to eliminate duplicates Z: 113 55.678 2.343 0.497 0.549 0.920 0.500 CB 1.555 113 residues pruned to eliminate duplicates Z: 49 36.273 2.305 0.589 0.497 0.958 0.583 CB 1.497 49 residues pruned to eliminate duplicates Z: 134 56.559 2.311 0.482 0.539 0.902 0.534 CB 1.528 134 residues pruned to eliminate duplicates Z: 6 7.994 2.001 0.447 0.418 1.000 0.800 CB 1.346 6 residues pruned to eliminate duplicates Z: 90 52.349 2.316 0.595 0.545 0.944 0.416 CB 1.523 90 residues pruned to eliminate duplicates Z: 89 50.455 2.321 0.556 0.566 0.886 0.500 CB 1.576 89 residues pruned to eliminate duplicates Z: 110 54.352 2.272 0.497 0.556 0.936 0.514 CB 1.549 110 residues pruned to eliminate duplicates Z: 104 53.505 2.280 0.513 0.584 0.932 0.466 CB 1.513 104 residues pruned to eliminate duplicates Z: 121 50.322 2.309 0.469 0.504 0.892 0.450 CB 1.514 121 residues pruned to eliminate duplicates Z: 81 40.709 2.269 0.405 0.519 0.925 0.525 CB 1.514 81 residues pruned to eliminate duplicates Z: 94 51.630 2.305 0.570 0.534 0.903 0.516 CB 1.584 94 residues pruned to eliminate duplicates Z: 101 52.534 2.274 0.574 0.567 0.890 0.510 CB 1.545 101 residues pruned to eliminate duplicates Z: 81 43.582 2.304 0.468 0.524 0.925 0.550 CB 1.521 81 residues pruned to eliminate duplicates Z: 12 11.638 1.949 0.109 0.867 0.909 0.909 CB 1.306 12 residues pruned to eliminate duplicates Z: 25 13.315 2.039 0.060 0.534 0.917 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 132 52.931 2.273 0.535 0.536 0.870 0.466 CB 1.471 132 residues pruned to eliminate duplicates Z: 16 15.416 2.052 0.438 0.659 0.933 0.533 CB 1.247 16 residues pruned to eliminate duplicates Z: 12 14.947 1.945 0.519 0.868 0.909 0.909 CB 1.227 12 residues pruned to eliminate duplicates Z: 194 75.397 2.326 0.524 0.548 0.917 0.585 CB 1.594 194 residues pruned to eliminate duplicates Z: 195 71.509 2.313 0.569 0.538 0.887 0.526 CB 1.538 195 residues pruned to eliminate duplicates Z: 51 26.654 2.199 0.395 0.464 0.920 0.540 CB 1.386 51 residues pruned to eliminate duplicates Z: 16 14.512 2.034 0.450 0.648 0.867 0.667 CB 1.278 16 residues pruned to eliminate duplicates Z: 12 15.999 1.962 0.428 0.836 1.000 0.727 CB 1.288 11 residues pruned to eliminate duplicates Z: 6 3.459 1.841 0.269 0.232 0.800 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 90 36.147 2.075 0.315 0.548 0.944 0.596 CB 1.420 50 residues pruned to eliminate duplicates Z: 12 11.721 1.890 0.354 0.646 0.909 0.545 CA 1.325 12 residues pruned to eliminate duplicates Z: 13 16.232 2.052 0.294 0.600 1.000 0.667 CB 1.604 13 residues pruned to eliminate duplicates Z: 16 16.383 2.424 0.249 0.475 0.867 0.467 CB 1.654 16 residues pruned to eliminate duplicates Z: 25 20.495 2.219 0.231 0.488 0.917 0.458 CB 1.692 25 residues pruned to eliminate duplicates Z: 30 23.517 2.099 0.341 0.616 0.966 0.724 CB 1.439 30 residues pruned to eliminate duplicates Z: 87 34.730 2.056 0.357 0.557 0.895 0.605 CB 1.419 87 residues pruned to eliminate duplicates Z: 23 18.232 2.155 0.452 0.483 0.818 0.545 CB 1.545 23 residues pruned to eliminate duplicates Z: 39 29.734 2.131 0.315 0.614 0.974 0.658 CB 1.587 40 residues pruned to eliminate duplicates Z: 9 15.117 1.937 0.623 0.735 1.000 0.500 CB 1.377 9 residues pruned to eliminate duplicates Z: 27 20.608 2.170 0.196 0.540 0.923 0.538 CB 1.623 27 residues pruned to eliminate duplicates Z: 40 21.624 2.087 0.238 0.572 0.846 0.615 CB 1.478 40 residues pruned to eliminate duplicates Z: 40 30.350 2.116 0.356 0.625 0.949 0.641 CB 1.587 37 residues pruned to eliminate duplicates Z: 13 13.477 2.193 -0.151 0.877 1.000 1.000 CB 1.518 13 residues pruned to eliminate duplicates Z: 66 35.209 2.095 0.473 0.584 0.908 0.554 CB 1.438 66 residues pruned to eliminate duplicates Z: 7 8.853 1.964 -0.013 0.722 1.000 0.667 CA 1.525 7 residues pruned to eliminate duplicates Z: 25 13.709 1.840 0.190 0.610 0.875 0.625 CB 1.316 25 residues pruned to eliminate duplicates Z: 20 15.863 1.949 0.143 0.687 1.000 0.737 CA 1.376 20 residues pruned to eliminate duplicates Z: 38 26.283 2.132 0.259 0.594 0.946 0.703 CB 1.557 38 residues pruned to eliminate duplicates Z: 34 22.443 1.996 0.383 0.618 0.879 0.515 CB 1.441 34 residues pruned to eliminate duplicates Z: 31 24.552 2.188 0.245 0.612 0.933 0.633 CB 1.586 31 residues pruned to eliminate duplicates Z: 14 11.071 1.936 0.067 0.616 1.000 0.769 CA 1.332 14 residues pruned to eliminate duplicates Z: 22 15.094 1.867 0.159 0.651 1.000 0.810 CB 1.322 22 residues pruned to eliminate duplicates Z: 40 23.439 2.081 0.141 0.571 0.949 0.513 CB 1.556 40 residues pruned to eliminate duplicates Z: 20 15.575 1.970 0.227 0.646 0.947 0.526 CB 1.361 20 residues pruned to eliminate duplicates Z: 22 14.706 1.914 0.168 0.648 0.952 0.810 CB 1.313 22 residues pruned to eliminate duplicates Z: 73 46.446 2.251 0.413 0.564 0.958 0.569 CB 1.688 73 residues pruned to eliminate duplicates Z: 43 24.410 2.091 0.307 0.501 0.905 0.524 CB 1.523 43 residues pruned to eliminate duplicates Z: 71 46.841 2.229 0.422 0.566 0.943 0.643 CB 1.756 71 residues pruned to eliminate duplicates Z: 52 29.201 2.154 0.408 0.488 0.882 0.588 CB 1.546 52 residues pruned to eliminate duplicates Z: 28 26.393 2.185 0.716 0.456 0.889 0.444 CA 1.594 28 residues pruned to eliminate duplicates Z: 39 35.888 2.255 0.544 0.518 0.974 0.632 CA 1.687 39 residues pruned to eliminate duplicates Z: 41 33.258 2.321 0.504 0.529 0.850 0.600 CA 1.722 41 residues pruned to eliminate duplicates Z: 67 38.856 2.184 0.562 0.548 0.894 0.576 CB 1.497 67 residues pruned to eliminate duplicates Z: 33 33.847 2.286 0.471 0.549 0.938 0.469 CA 1.809 33 residues pruned to eliminate duplicates Z: 70 40.609 2.207 0.576 0.536 0.884 0.478 CB 1.534 70 residues pruned to eliminate duplicates Z: 57 39.018 2.205 0.406 0.562 0.946 0.571 CA 1.674 24 residues pruned to eliminate duplicates Z: 21 25.268 2.273 0.306 0.651 0.950 0.650 CA 1.740 21 residues pruned to eliminate duplicates Z: 57 39.098 2.215 0.543 0.530 0.893 0.446 CB 1.662 55 residues pruned to eliminate duplicates Z: 15 21.136 2.178 0.400 0.752 0.929 0.429 CA 1.593 15 residues pruned to eliminate duplicates Z: 53 40.954 2.207 0.587 0.561 0.923 0.423 CB 1.656 56 residues pruned to eliminate duplicates Z: 14 25.526 2.293 0.440 0.804 1.000 0.385 CA 1.644 14 residues pruned to eliminate duplicates Z: 31 35.437 2.347 0.435 0.557 1.000 0.667 CA 1.817 31 residues pruned to eliminate duplicates Z: 58 38.423 2.184 0.560 0.531 0.895 0.526 CB 1.619 55 residues pruned to eliminate duplicates Z: 14 27.613 2.345 0.526 0.830 1.000 0.538 CA 1.609 14 residues pruned to eliminate duplicates Z: 72 37.074 2.181 0.467 0.499 0.915 0.493 CB 1.503 72 residues pruned to eliminate duplicates Z: 39 35.800 2.284 0.513 0.553 0.974 0.579 CA 1.639 39 residues pruned to eliminate duplicates Z: 72 37.019 2.162 0.396 0.512 0.944 0.592 CB 1.525 55 residues pruned to eliminate duplicates Z: 15 27.534 2.276 0.581 0.838 1.000 0.643 CA 1.529 15 residues pruned to eliminate duplicates Z: 42 31.687 2.220 0.506 0.511 0.878 0.512 CA 1.667 42 residues pruned to eliminate duplicates Z: 51 37.974 2.250 0.478 0.567 0.900 0.560 CA 1.682 51 residues pruned to eliminate duplicates Z: 40 36.632 2.304 0.540 0.537 0.923 0.487 CA 1.727 40 residues pruned to eliminate duplicates Z: 53 39.222 2.236 0.456 0.558 0.923 0.577 CA 1.712 53 residues pruned to eliminate duplicates Z: 31 20.338 2.174 0.352 0.446 0.967 0.633 CB 1.381 31 residues pruned to eliminate duplicates Z: 36 22.276 2.248 0.371 0.450 0.857 0.486 CB 1.501 36 residues pruned to eliminate duplicates Z: 13 14.068 2.357 0.156 0.554 1.000 0.667 CA 1.413 13 residues pruned to eliminate duplicates Z: 32 18.784 2.219 0.290 0.382 0.903 0.484 CB 1.480 32 residues pruned to eliminate duplicates Z: 31 19.129 2.220 0.313 0.396 0.933 0.500 CB 1.433 31 residues pruned to eliminate duplicates Z: 30 16.929 2.209 0.283 0.391 0.931 0.621 CB 1.336 30 residues pruned to eliminate duplicates Z: 31 17.427 2.222 0.246 0.415 0.867 0.533 CB 1.450 31 residues pruned to eliminate duplicates Z: 39 29.023 2.263 0.429 0.518 0.842 0.447 CA 1.700 39 residues pruned to eliminate duplicates Z: 72 43.650 2.194 0.583 0.520 0.944 0.521 CB 1.550 72 residues pruned to eliminate duplicates Z: 58 31.879 2.224 0.423 0.427 0.930 0.509 CB 1.548 58 residues pruned to eliminate duplicates Z: 31 18.356 2.206 0.290 0.419 0.900 0.500 CB 1.423 34 residues pruned to eliminate duplicates 6 1.937 1.482 -0.042 0.427 1.000 0.800 CA 0.658 ? Z: 6 5.952 1.946 0.249 0.407 1.000 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 31 21.536 2.156 0.401 0.460 1.000 0.667 CB 1.355 31 residues pruned to eliminate duplicates Z: 54 31.311 2.205 0.481 0.445 0.906 0.528 CB 1.538 54 residues pruned to eliminate duplicates Z: 21 14.470 2.103 0.421 0.466 0.950 0.600 CB 1.180 21 residues pruned to eliminate duplicates Z: 35 15.396 2.018 0.298 0.411 0.882 0.471 CB 1.254 35 residues pruned to eliminate duplicates Z: 20 11.778 1.992 0.292 0.412 0.947 0.526 CB 1.215 20 residues pruned to eliminate duplicates Z: 20 11.286 2.008 0.219 0.459 0.947 0.526 CB 1.165 20 residues pruned to eliminate duplicates Z: 29 22.801 2.236 0.454 0.461 0.964 0.536 CB 1.430 29 residues pruned to eliminate duplicates Z: 21 15.088 2.078 0.497 0.480 1.000 0.450 CB 1.107 19 residues pruned to eliminate duplicates Z: 6 4.141 1.742 0.174 0.460 0.800 0.400 N 1.179 6 residues pruned to eliminate duplicates Z: 117 52.083 2.173 0.437 0.539 0.940 0.603 CB 1.586 117 residues pruned to eliminate duplicates Z: 61 38.923 2.145 0.414 0.638 0.950 0.683 CB 1.533 61 residues pruned to eliminate duplicates Z: 114 53.669 2.219 0.456 0.537 0.965 0.540 CB 1.562 114 residues pruned to eliminate duplicates Z: 33 28.103 2.146 0.452 0.626 0.906 0.562 CA 1.563 33 residues pruned to eliminate duplicates Z: 31 26.957 2.203 0.312 0.651 0.933 0.500 CA 1.585 31 residues pruned to eliminate duplicates Z: 23 24.170 2.075 0.384 0.793 0.864 0.545 CB 1.607 23 residues pruned to eliminate duplicates Z: 34 35.695 2.166 0.594 0.685 0.909 0.515 CA 1.671 34 residues pruned to eliminate duplicates Z: 91 39.448 2.139 0.376 0.586 0.900 0.644 CB 1.445 91 residues pruned to eliminate duplicates Z: 25 26.634 2.091 0.562 0.701 0.875 0.625 CA 1.584 25 residues pruned to eliminate duplicates Z: 77 37.513 2.131 0.377 0.597 0.961 0.579 CB 1.391 21 residues pruned to eliminate duplicates Z: 19 29.712 2.225 0.678 0.887 0.833 0.333 CB 1.623 19 residues pruned to eliminate duplicates Z: 77 46.062 2.152 0.536 0.630 0.961 0.513 CB 1.473 77 residues pruned to eliminate duplicates Z: 104 47.298 2.166 0.521 0.520 0.922 0.524 CB 1.504 104 residues pruned to eliminate duplicates Z: 63 35.175 2.186 0.517 0.502 0.871 0.452 CB 1.543 63 residues pruned to eliminate duplicates Z: 34 30.201 2.162 0.599 0.658 0.909 0.424 CB 1.445 34 residues pruned to eliminate duplicates Z: 98 41.960 2.126 0.466 0.548 0.928 0.495 CB 1.405 98 residues pruned to eliminate duplicates Z: 24 26.579 2.207 0.836 0.637 0.826 0.391 CB 1.457 24 residues pruned to eliminate duplicates Z: 101 41.661 2.152 0.456 0.537 0.880 0.540 CB 1.457 101 residues pruned to eliminate duplicates Z: 101 50.862 2.205 0.584 0.546 0.930 0.450 CB 1.497 101 residues pruned to eliminate duplicates Z: 82 41.552 2.120 0.471 0.583 0.951 0.444 CB 1.438 62 residues pruned to eliminate duplicates Z: 20 28.248 2.136 0.594 0.893 0.895 0.158 CB 1.527 20 residues pruned to eliminate duplicates Z: 66 27.300 2.120 0.423 0.476 0.831 0.369 CB 1.384 66 residues pruned to eliminate duplicates Z: 61 33.030 2.136 0.355 0.626 0.900 0.483 CB 1.454 61 residues pruned to eliminate duplicates Z: 11 9.826 2.116 0.400 0.397 0.900 0.600 CA 1.299 11 residues pruned to eliminate duplicates Z: 17 15.977 2.091 0.539 0.478 0.875 0.500 CB 1.450 17 residues pruned to eliminate duplicates Z: 56 33.913 2.181 0.657 0.526 0.927 0.400 CB 1.330 56 residues pruned to eliminate duplicates Z: 10 11.486 2.231 0.617 0.313 0.889 0.556 CA 1.469 10 residues pruned to eliminate duplicates Z: 32 27.997 2.184 0.513 0.637 0.871 0.387 CA 1.537 32 residues pruned to eliminate duplicates Z: 102 52.784 2.232 0.521 0.528 0.941 0.436 CB 1.601 102 residues pruned to eliminate duplicates Z: 11 8.280 2.133 0.423 0.336 0.800 0.400 CB 1.291 11 residues pruned to eliminate duplicates Z: 57 31.708 2.146 0.408 0.533 0.929 0.625 CB 1.463 58 residues pruned to eliminate duplicates Z: 6 10.479 2.022 0.726 0.517 1.000 0.000 CA 1.321 Z: 6 12.123 1.874 1.037 0.558 1.000 0.400 CA 1.342 6 residues pruned to eliminate duplicates Z: 7 7.913 1.842 0.808 0.482 0.833 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 60 28.411 2.082 0.373 0.516 0.898 0.525 CB 1.417 66 residues pruned to eliminate duplicates Z: 110 44.503 2.167 0.398 0.536 0.917 0.541 CB 1.481 110 residues pruned to eliminate duplicates Z: 121 55.482 2.190 0.535 0.571 0.950 0.483 CB 1.480 121 residues pruned to eliminate duplicates Z: 65 33.105 2.089 0.547 0.505 0.891 0.500 CB 1.430 65 residues pruned to eliminate duplicates Z: 96 37.879 2.110 0.444 0.532 0.905 0.495 CB 1.365 96 residues pruned to eliminate duplicates Z: 46 28.001 2.101 0.403 0.595 0.978 0.644 CB 1.323 46 residues pruned to eliminate duplicates Z: 31 19.645 2.031 0.355 0.568 0.967 0.633 CB 1.262 31 residues pruned to eliminate duplicates Z: 60 29.379 2.071 0.443 0.493 0.932 0.593 CB 1.383 60 residues pruned to eliminate duplicates Z: 46 27.169 2.111 0.416 0.590 0.956 0.644 CB 1.301 46 residues pruned to eliminate duplicates Z: 126 59.102 2.196 0.575 0.579 0.952 0.544 CB 1.487 126 residues pruned to eliminate duplicates Z: 41 24.371 2.093 0.274 0.616 0.975 0.525 CB 1.328 41 residues pruned to eliminate duplicates Z: 67 33.750 2.144 0.482 0.556 0.909 0.515 CB 1.362 67 residues pruned to eliminate duplicates Z: 49 29.277 2.098 0.426 0.506 0.979 0.521 CB 1.434 49 residues pruned to eliminate duplicates Z: 73 40.540 2.176 0.482 0.607 0.917 0.528 CB 1.459 73 residues pruned to eliminate duplicates Z: 69 38.300 2.159 0.464 0.595 0.956 0.544 CB 1.404 69 residues pruned to eliminate duplicates Z: 47 27.524 2.087 0.384 0.605 0.935 0.674 CB 1.360 47 residues pruned to eliminate duplicates Z: 62 38.138 2.115 0.497 0.615 0.934 0.475 CB 1.480 62 residues pruned to eliminate duplicates Z: 80 42.975 2.145 0.500 0.585 0.949 0.418 CB 1.458 80 residues pruned to eliminate duplicates Z: 97 42.524 2.148 0.459 0.552 0.927 0.427 CB 1.420 97 residues pruned to eliminate duplicates Z: 47 31.649 2.099 0.567 0.586 0.957 0.522 CB 1.366 47 residues pruned to eliminate duplicates Z: 14 12.439 1.854 0.526 0.734 0.769 0.462 CB 1.285 14 residues pruned to eliminate duplicates Z: 75 36.571 2.120 0.487 0.570 0.878 0.446 CB 1.435 75 residues pruned to eliminate duplicates Z: 26 15.204 2.074 0.265 0.484 0.840 0.640 CB 1.402 26 residues pruned to eliminate duplicates Z: 51 24.026 1.962 0.371 0.516 0.880 0.500 CB 1.412 51 residues pruned to eliminate duplicates Z: 105 45.417 2.155 0.456 0.527 0.942 0.423 CB 1.466 105 residues pruned to eliminate duplicates Z: 30 20.640 2.085 0.374 0.630 0.862 0.517 CB 1.374 30 residues pruned to eliminate duplicates Z: 77 40.740 2.131 0.475 0.588 0.921 0.487 CB 1.483 77 residues pruned to eliminate duplicates Z: 41 25.814 2.083 0.397 0.618 0.975 0.600 CB 1.286 41 residues pruned to eliminate duplicates Z: 21 13.997 2.017 0.414 0.474 0.900 0.550 CB 1.252 21 residues pruned to eliminate duplicates Z: 29 18.990 1.977 0.523 0.481 0.857 0.500 CB 1.418 29 residues pruned to eliminate duplicates Z: 106 45.901 2.121 0.565 0.518 0.914 0.457 CB 1.450 106 residues pruned to eliminate duplicates Z: 27 16.802 1.981 0.442 0.462 0.885 0.538 CB 1.356 27 residues pruned to eliminate duplicates Z: 97 45.465 2.155 0.466 0.564 0.979 0.573 CB 1.410 97 residues pruned to eliminate duplicates Z: 131 58.532 2.203 0.548 0.542 0.938 0.462 CB 1.539 131 residues pruned to eliminate duplicates Z: 22 15.417 1.895 0.526 0.457 0.857 0.571 CB 1.417 22 residues pruned to eliminate duplicates Z: 56 27.449 2.041 0.450 0.511 0.909 0.636 CB 1.361 56 residues pruned to eliminate duplicates 449 residues left after pruning, divided into chains as follows: A: 6 B: 19 C: 7 D: 14 E: 15 F: 220 G: 168 CC for partial structure against native data = 30.89 % ------------------------------------------------------------------------------ Global autotracing cycle 5 = 0.299, Contrast = 0.469, Connect. = 0.747 for dens.mod. cycle 1 = 0.299, Contrast = 0.519, Connect. = 0.761 for dens.mod. cycle 2 = 0.299, Contrast = 0.660, Connect. = 0.800 for dens.mod. cycle 3 = 0.299, Contrast = 0.673, Connect. = 0.801 for dens.mod. cycle 4 = 0.299, Contrast = 0.686, Connect. = 0.803 for dens.mod. cycle 5 = 0.299, Contrast = 0.694, Connect. = 0.804 for dens.mod. cycle 6 = 0.299, Contrast = 0.702, Connect. = 0.805 for dens.mod. cycle 7 = 0.299, Contrast = 0.708, Connect. = 0.807 for dens.mod. cycle 8 = 0.299, Contrast = 0.712, Connect. = 0.808 for dens.mod. cycle 9 = 0.299, Contrast = 0.716, Connect. = 0.808 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2877 peaks > 0.5 sigma used to seed fragment search Space for about 619 unique residues taking solvent into account 568 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 29.449 2.271 0.618 0.906 1.000 0.769 CB 1.581 B: 22 36.046 2.252 0.486 0.903 0.952 0.524 CB 1.759 C: 21 40.506 2.293 0.650 0.905 0.950 0.600 CB 1.793 22 residues pruned to eliminate duplicates D: 13 24.952 2.246 0.755 0.901 1.000 0.583 CB 1.304 E: 12 18.484 1.989 0.426 0.896 1.000 0.909 CB 1.408 F: 20 41.853 2.384 0.529 0.934 0.947 0.579 CB 1.940 21 residues pruned to eliminate duplicates G: 15 24.468 2.270 0.323 0.845 1.000 0.786 CB 1.619 H: 13 22.642 2.438 0.131 0.892 1.000 0.917 CB 1.703 13 residues pruned to eliminate duplicates I: 20 40.731 2.346 0.597 0.922 0.947 0.474 CB 1.852 20 residues pruned to eliminate duplicates J: 15 20.312 2.153 0.358 0.861 0.929 0.786 CA 1.469 14 residues pruned to eliminate duplicates K: 8 13.655 2.079 0.249 0.815 0.857 0.857 CA 1.764 L: 59 29.171 2.117 0.254 0.554 0.948 0.621 CB 1.444 M: 52 33.680 2.323 0.434 0.497 0.863 0.471 CB 1.646 N: 31 29.376 2.333 0.346 0.615 0.933 0.600 CB 1.641 14 residues pruned to eliminate duplicates O: 15 28.402 2.264 0.575 0.869 1.000 0.571 CA 1.555 15 residues pruned to eliminate duplicates P: 13 9.324 2.123 0.154 0.449 0.917 0.583 CB 1.263 13 residues pruned to eliminate duplicates Q: 20 34.438 2.287 0.309 0.921 1.000 0.842 CB 1.857 20 residues pruned to eliminate duplicates R: 14 26.868 2.245 0.524 0.916 1.000 0.923 CB 1.539 15 residues pruned to eliminate duplicates S: 15 24.415 2.226 0.332 0.894 1.000 0.857 CA 1.579 15 residues pruned to eliminate duplicates T: 18 10.538 2.152 0.228 0.316 0.882 0.588 CB 1.343 U: 14 19.794 2.235 0.401 0.895 0.923 0.769 CB 1.362 14 residues pruned to eliminate duplicates V: 6 4.296 1.689 -0.147 0.767 1.000 0.800 CA 1.053 W: 21 34.702 2.240 0.416 0.899 1.000 0.800 CA 1.750 20 residues pruned to eliminate duplicates X: 15 31.624 2.327 0.544 0.862 1.000 0.714 CA 1.727 Y: 17 24.454 2.105 0.527 0.834 0.938 0.812 CB 1.521 16 residues pruned to eliminate duplicates Z: 38 29.194 2.211 0.356 0.526 0.919 0.541 CA 1.697 38 residues pruned to eliminate duplicates Z: 16 24.397 2.246 0.331 0.868 1.000 0.800 CA 1.540 16 residues pruned to eliminate duplicates Z: 39 28.508 2.203 0.387 0.512 0.895 0.553 CA 1.672 39 residues pruned to eliminate duplicates Z: 21 34.685 2.305 0.553 0.913 0.900 0.550 CB 1.704 21 residues pruned to eliminate duplicates Z: 28 30.293 2.166 0.673 0.563 0.963 0.630 CB 1.572 22 residues pruned to eliminate duplicates Z: 15 28.175 2.384 0.390 0.848 0.929 0.643 CA 1.815 15 residues pruned to eliminate duplicates Z: 7 8.832 1.930 0.390 0.634 1.000 0.500 CB 1.184 7 residues pruned to eliminate duplicates Z: 42 24.190 2.279 0.479 0.418 0.854 0.537 CB 1.431 6 residues pruned to eliminate duplicates Z: 15 32.598 2.360 0.512 0.872 1.000 0.857 CA 1.779 15 residues pruned to eliminate duplicates Z: 14 28.492 2.290 0.588 0.838 1.000 0.385 CA 1.624 14 residues pruned to eliminate duplicates Z: 22 31.729 2.178 0.283 0.897 1.000 0.810 CB 1.774 21 residues pruned to eliminate duplicates Z: 22 36.652 2.253 0.384 0.902 1.000 0.762 CB 1.829 22 residues pruned to eliminate duplicates Z: 14 26.961 2.255 0.642 0.916 1.000 0.769 CB 1.426 13 residues pruned to eliminate duplicates Z: 30 21.829 2.111 0.575 0.487 0.897 0.483 CB 1.377 30 residues pruned to eliminate duplicates Z: 151 51.176 2.173 0.414 0.533 0.887 0.420 CB 1.484 131 residues pruned to eliminate duplicates Z: 15 8.540 2.242 0.291 0.462 0.714 0.429 CB 1.148 15 residues pruned to eliminate duplicates Z: 13 25.209 2.304 0.408 0.851 1.000 0.667 CA 1.661 13 residues pruned to eliminate duplicates Z: 84 35.735 2.103 0.368 0.518 0.916 0.590 CB 1.463 73 residues pruned to eliminate duplicates Z: 22 31.088 2.104 0.491 0.889 0.952 0.810 CA 1.635 22 residues pruned to eliminate duplicates Z: 16 21.453 2.358 0.080 0.743 0.933 0.667 CA 1.876 16 residues pruned to eliminate duplicates Z: 14 25.235 2.252 0.772 0.902 1.000 0.846 CB 1.251 14 residues pruned to eliminate duplicates Z: 40 32.084 2.249 0.559 0.501 0.897 0.487 CA 1.632 40 residues pruned to eliminate duplicates Z: 101 55.483 2.291 0.511 0.580 0.950 0.490 CB 1.563 71 residues pruned to eliminate duplicates Z: 15 28.551 2.366 0.286 0.862 1.000 0.857 CA 1.841 15 residues pruned to eliminate duplicates Z: 95 48.802 2.328 0.482 0.502 0.904 0.543 CB 1.610 71 residues pruned to eliminate duplicates Z: 8 15.581 1.921 0.491 0.893 1.000 0.857 CA 1.476 8 residues pruned to eliminate duplicates Z: 70 37.029 2.306 0.459 0.467 0.855 0.609 CB 1.601 69 residues pruned to eliminate duplicates Z: 21 49.829 2.270 0.943 0.925 0.950 0.600 CB 1.866 21 residues pruned to eliminate duplicates Z: 14 31.334 2.286 0.624 0.826 1.000 0.692 CA 1.766 14 residues pruned to eliminate duplicates Z: 12 12.919 1.958 0.356 0.813 0.909 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 21 38.956 2.324 0.581 0.920 0.950 0.850 CB 1.757 22 residues pruned to eliminate duplicates Z: 87 48.456 2.232 0.430 0.603 0.942 0.593 CB 1.575 65 residues pruned to eliminate duplicates Z: 9 13.526 1.866 0.550 0.814 0.875 0.625 CA 1.437 9 residues pruned to eliminate duplicates Z: 36 19.995 2.186 0.382 0.467 0.857 0.371 CB 1.350 36 residues pruned to eliminate duplicates Z: 8 15.219 2.026 0.821 0.746 0.857 0.857 CA 1.460 8 residues pruned to eliminate duplicates Z: 14 14.589 2.243 0.408 0.377 0.846 0.538 CB 1.727 14 residues pruned to eliminate duplicates Z: 11 16.441 2.037 0.276 0.904 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 12 15.924 2.133 0.416 0.755 0.909 0.545 CB 1.393 12 residues pruned to eliminate duplicates Z: 20 30.506 2.166 0.553 0.930 0.895 0.316 CB 1.626 20 residues pruned to eliminate duplicates Z: 15 15.084 2.078 0.230 0.901 1.000 0.929 CB 1.126 15 residues pruned to eliminate duplicates Z: 21 37.439 2.349 0.572 0.919 0.900 0.550 CB 1.775 21 residues pruned to eliminate duplicates Z: 14 18.429 2.185 0.209 0.842 1.000 0.692 CA 1.442 14 residues pruned to eliminate duplicates Z: 12 10.860 1.921 0.173 0.845 0.818 0.545 CB 1.320 12 residues pruned to eliminate duplicates Z: 121 52.053 2.284 0.529 0.522 0.875 0.483 CB 1.521 119 residues pruned to eliminate duplicates Z: 15 20.492 2.174 0.483 0.829 0.857 0.857 CA 1.491 15 residues pruned to eliminate duplicates Z: 15 20.754 2.131 0.374 0.883 0.929 0.500 CA 1.476 15 residues pruned to eliminate duplicates Z: 11 19.967 2.245 0.383 0.798 1.000 0.600 CB 1.567 11 residues pruned to eliminate duplicates Z: 22 27.997 2.059 0.547 0.847 0.905 0.524 CB 1.574 22 residues pruned to eliminate duplicates Z: 15 18.544 2.211 0.151 0.927 1.000 1.000 CB 1.364 15 residues pruned to eliminate duplicates Z: 8 12.700 2.125 0.268 0.868 0.857 0.714 CB 1.519 8 residues pruned to eliminate duplicates Z: 21 29.205 2.035 0.445 0.891 1.000 0.700 CB 1.597 21 residues pruned to eliminate duplicates Z: 9 4.471 1.941 0.366 0.406 0.500 0.375 CB 1.316 Z: 10 19.209 2.273 0.420 0.806 1.000 0.556 CB 1.519 10 residues pruned to eliminate duplicates Z: 89 54.211 2.369 0.567 0.511 0.943 0.557 CB 1.634 89 residues pruned to eliminate duplicates Z: 26 18.801 2.112 0.320 0.497 0.880 0.600 CB 1.537 26 residues pruned to eliminate duplicates Z: 21 31.568 2.180 0.582 0.881 0.900 0.600 CB 1.647 21 residues pruned to eliminate duplicates Z: 11 12.081 2.033 -0.135 0.917 1.000 0.900 CA 1.533 11 residues pruned to eliminate duplicates Z: 23 36.387 2.275 0.514 0.820 1.000 0.682 CB 1.706 23 residues pruned to eliminate duplicates Z: 32 28.866 2.237 0.592 0.559 0.839 0.484 CB 1.639 32 residues pruned to eliminate duplicates Z: 6 3.868 1.737 0.257 0.298 0.800 0.600 N 1.242 6 residues pruned to eliminate duplicates Z: 55 41.008 2.259 0.490 0.562 0.944 0.556 CB 1.654 55 residues pruned to eliminate duplicates Z: 34 30.353 2.166 0.668 0.621 0.879 0.364 CB 1.485 34 residues pruned to eliminate duplicates Z: 72 44.970 2.378 0.470 0.539 0.901 0.606 CB 1.631 72 residues pruned to eliminate duplicates Z: 14 40.412 2.433 0.965 0.920 1.000 0.923 CB 1.651 14 residues pruned to eliminate duplicates Z: 11 15.770 2.057 0.203 0.912 1.000 0.800 CB 1.426 11 residues pruned to eliminate duplicates Z: 8 16.913 2.034 0.667 0.853 0.857 0.429 CB 1.626 8 residues pruned to eliminate duplicates Z: 64 40.560 2.144 0.510 0.603 0.952 0.476 CB 1.502 64 residues pruned to eliminate duplicates Z: 14 29.137 2.308 0.546 0.834 0.923 0.615 CA 1.839 14 residues pruned to eliminate duplicates Z: 49 27.717 2.107 0.338 0.538 0.979 0.521 CB 1.397 49 residues pruned to eliminate duplicates Z: 16 24.905 2.180 0.734 0.837 1.000 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 10 12.693 1.778 0.254 0.867 1.000 0.667 CB 1.389 10 residues pruned to eliminate duplicates Z: 21 37.722 2.252 0.733 0.910 0.900 0.700 CB 1.703 21 residues pruned to eliminate duplicates Z: 14 26.166 2.241 0.844 0.919 0.923 0.615 CB 1.340 14 residues pruned to eliminate duplicates Z: 13 11.715 2.078 0.146 0.904 1.000 0.833 CB 1.011 13 residues pruned to eliminate duplicates Z: 14 28.598 2.239 0.570 0.912 1.000 1.000 CA 1.598 20 residues pruned to eliminate duplicates Z: 86 55.009 2.341 0.580 0.597 0.929 0.612 CB 1.582 86 residues pruned to eliminate duplicates Z: 12 14.270 2.099 0.050 0.881 0.909 0.818 CA 1.555 12 residues pruned to eliminate duplicates Z: 14 27.668 2.247 0.931 0.912 0.923 0.769 CB 1.357 14 residues pruned to eliminate duplicates Z: 12 17.989 2.134 0.490 0.824 1.000 0.545 CB 1.288 12 residues pruned to eliminate duplicates Z: 21 25.089 2.061 0.446 0.888 0.850 0.450 CB 1.595 21 residues pruned to eliminate duplicates Z: 15 32.537 2.356 0.771 0.895 1.000 0.857 CB 1.494 15 residues pruned to eliminate duplicates Z: 11 18.901 2.134 0.370 0.850 1.000 0.700 CB 1.515 11 residues pruned to eliminate duplicates Z: 13 13.260 2.099 0.097 0.934 1.000 0.917 CB 1.159 13 residues pruned to eliminate duplicates Z: 40 28.185 2.095 0.339 0.626 0.949 0.718 CB 1.506 31 residues pruned to eliminate duplicates Z: 12 18.542 2.050 0.350 0.885 1.000 0.636 CB 1.459 12 residues pruned to eliminate duplicates Z: 8 8.923 1.670 0.420 0.791 1.000 0.857 CB 1.102 Z: 15 15.615 1.802 0.352 0.891 0.929 0.786 CB 1.327 Z: 14 24.749 2.239 0.788 0.908 0.923 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 8 5.338 1.902 0.414 0.457 0.714 0.571 CB 1.097 Z: 12 17.138 2.008 0.357 0.905 1.000 0.818 CB 1.350 12 residues pruned to eliminate duplicates Z: 13 16.896 2.111 0.168 0.869 1.000 0.583 CA 1.444 13 residues pruned to eliminate duplicates Z: 18 28.099 2.145 0.558 0.915 0.882 0.529 CB 1.633 18 residues pruned to eliminate duplicates Z: 15 11.737 2.148 0.423 0.344 0.786 0.429 CB 1.547 15 residues pruned to eliminate duplicates Z: 92 46.000 2.345 0.436 0.485 0.879 0.516 CB 1.654 92 residues pruned to eliminate duplicates Z: 15 26.986 2.142 0.777 0.933 0.929 0.786 CA 1.424 14 residues pruned to eliminate duplicates Z: 17 12.914 2.222 0.176 0.416 0.938 0.438 CB 1.439 17 residues pruned to eliminate duplicates Z: 10 11.860 2.237 0.127 0.749 0.778 0.556 CB 1.614 10 residues pruned to eliminate duplicates Z: 88 51.259 2.336 0.531 0.552 0.943 0.506 CB 1.549 88 residues pruned to eliminate duplicates Z: 6 10.142 1.895 0.329 0.744 1.000 0.600 CA 1.448 Z: 28 30.782 2.156 0.621 0.705 0.926 0.296 CB 1.519 28 residues pruned to eliminate duplicates Z: 22 38.306 2.280 0.516 0.918 0.952 0.714 CB 1.791 22 residues pruned to eliminate duplicates Z: 8 10.882 1.985 0.829 0.577 0.857 0.571 CB 1.227 8 residues pruned to eliminate duplicates Z: 17 23.108 2.104 0.774 0.497 1.000 0.688 CB 1.552 17 residues pruned to eliminate duplicates Z: 6 8.232 2.084 0.348 0.777 0.600 0.600 CA 1.711 6 residues pruned to eliminate duplicates Z: 86 51.786 2.344 0.520 0.530 0.965 0.565 CB 1.587 86 residues pruned to eliminate duplicates Z: 18 20.695 2.081 0.822 0.468 0.941 0.647 CB 1.453 18 residues pruned to eliminate duplicates Z: 77 56.732 2.383 0.582 0.616 0.947 0.526 CB 1.633 77 residues pruned to eliminate duplicates Z: 30 40.607 2.426 0.620 0.717 0.966 0.414 CB 1.632 30 residues pruned to eliminate duplicates Z: 6 3.783 1.925 0.104 0.611 0.800 0.600 CB 0.896 Z: 21 37.862 2.299 0.555 0.890 0.950 0.550 CB 1.793 21 residues pruned to eliminate duplicates Z: 8 7.209 2.006 0.324 0.598 0.714 0.429 CB 1.308 8 residues pruned to eliminate duplicates Z: 14 22.403 1.854 0.657 0.916 1.000 0.615 CB 1.427 15 residues pruned to eliminate duplicates Z: 101 49.481 2.310 0.407 0.531 0.920 0.500 CB 1.605 101 residues pruned to eliminate duplicates Z: 9 11.414 1.798 0.416 0.828 0.875 0.625 CB 1.364 9 residues pruned to eliminate duplicates Z: 16 17.900 2.140 0.235 0.765 0.867 0.733 CB 1.595 16 residues pruned to eliminate duplicates Z: 29 19.762 2.168 0.395 0.429 0.929 0.429 CA 1.432 29 residues pruned to eliminate duplicates Z: 20 32.742 2.175 0.629 0.899 0.947 0.684 CA 1.599 20 residues pruned to eliminate duplicates Z: 21 23.251 1.980 0.276 0.914 1.000 0.800 CA 1.455 21 residues pruned to eliminate duplicates Z: 91 51.603 2.308 0.458 0.567 0.933 0.633 CB 1.623 91 residues pruned to eliminate duplicates Z: 15 24.389 2.194 0.579 0.812 0.929 0.571 CA 1.545 15 residues pruned to eliminate duplicates Z: 59 36.443 2.169 0.438 0.650 0.897 0.414 CB 1.487 59 residues pruned to eliminate duplicates Z: 6 7.194 2.112 0.326 0.618 0.800 0.800 CB 1.284 6 residues pruned to eliminate duplicates Z: 15 28.265 2.204 0.752 0.908 0.929 0.786 CA 1.496 15 residues pruned to eliminate duplicates Z: 13 14.674 2.038 0.479 0.819 0.833 0.750 CB 1.278 13 residues pruned to eliminate duplicates Z: 13 14.041 2.089 0.259 0.888 0.917 0.750 CB 1.211 13 residues pruned to eliminate duplicates Z: 87 47.620 2.334 0.380 0.587 0.930 0.593 CB 1.576 87 residues pruned to eliminate duplicates Z: 8 13.390 1.978 0.291 0.822 1.000 0.714 CB 1.500 8 residues pruned to eliminate duplicates Z: 14 22.063 2.256 0.360 0.830 1.000 0.769 CA 1.500 14 residues pruned to eliminate duplicates Z: 86 42.357 2.324 0.455 0.507 0.871 0.529 CB 1.550 86 residues pruned to eliminate duplicates Z: 15 16.150 2.015 0.233 0.903 1.000 0.857 CB 1.238 15 residues pruned to eliminate duplicates Z: 14 36.426 2.294 0.929 0.885 1.000 0.846 CA 1.649 15 residues pruned to eliminate duplicates Z: 14 24.011 2.206 0.469 0.893 1.000 0.615 CA 1.475 14 residues pruned to eliminate duplicates Z: 28 16.795 2.249 0.362 0.386 0.926 0.519 CB 1.286 28 residues pruned to eliminate duplicates Z: 13 18.406 2.139 0.331 0.901 1.000 0.917 CB 1.333 13 residues pruned to eliminate duplicates Z: 12 13.087 1.696 0.399 0.817 0.909 0.727 N 1.389 12 residues pruned to eliminate duplicates Z: 169 61.508 2.202 0.480 0.537 0.929 0.429 CB 1.513 166 residues pruned to eliminate duplicates Z: 15 26.599 2.156 0.686 0.849 0.929 0.857 CB 1.561 15 residues pruned to eliminate duplicates Z: 18 25.331 2.077 0.788 0.896 0.882 0.353 CB 1.343 18 residues pruned to eliminate duplicates Z: 10 10.950 1.812 0.235 0.870 0.889 0.778 CB 1.340 10 residues pruned to eliminate duplicates Z: 86 49.309 2.335 0.506 0.568 0.894 0.600 CB 1.592 86 residues pruned to eliminate duplicates Z: 13 23.602 1.958 0.729 0.874 1.000 0.500 CB 1.464 13 residues pruned to eliminate duplicates Z: 21 26.915 2.051 0.378 0.895 1.000 0.650 CA 1.526 21 residues pruned to eliminate duplicates Z: 11 11.861 1.734 0.239 0.885 1.000 0.900 CB 1.260 11 residues pruned to eliminate duplicates Z: 14 28.309 2.232 0.653 0.905 1.000 0.846 CB 1.514 14 residues pruned to eliminate duplicates Z: 19 18.594 2.005 0.638 0.460 0.889 0.444 CB 1.564 17 residues pruned to eliminate duplicates Z: 11 10.193 1.742 0.467 0.861 0.700 0.600 N 1.324 11 residues pruned to eliminate duplicates Z: 14 19.841 2.244 0.265 0.916 1.000 0.923 CB 1.368 14 residues pruned to eliminate duplicates Z: 21 28.928 2.117 0.367 0.906 0.950 0.350 CA 1.674 21 residues pruned to eliminate duplicates Z: 7 12.071 1.729 0.605 0.878 1.000 1.000 CB 1.288 7 residues pruned to eliminate duplicates Z: 58 32.237 2.151 0.505 0.533 0.877 0.649 CB 1.456 58 residues pruned to eliminate duplicates Z: 20 26.853 2.142 0.428 0.909 0.895 0.579 CB 1.598 20 residues pruned to eliminate duplicates Z: 15 26.523 1.952 1.094 0.871 0.929 0.500 CB 1.362 16 residues pruned to eliminate duplicates Z: 14 13.577 2.004 0.217 0.809 0.846 0.385 CA 1.394 14 residues pruned to eliminate duplicates Z: 6 10.984 1.877 0.274 0.859 1.000 1.000 CB 1.511 6 residues pruned to eliminate duplicates Z: 12 13.631 2.027 0.062 0.870 1.000 0.818 CB 1.393 12 residues pruned to eliminate duplicates Z: 13 16.376 2.074 0.182 0.886 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 91 47.077 2.345 0.497 0.520 0.867 0.467 CB 1.600 91 residues pruned to eliminate duplicates Z: 23 17.465 2.106 0.217 0.432 0.955 0.636 CB 1.634 23 residues pruned to eliminate duplicates Z: 19 37.911 2.274 0.481 0.932 1.000 0.833 CB 1.853 19 residues pruned to eliminate duplicates Z: 7 9.367 1.959 0.204 0.696 1.000 0.500 CB 1.355 7 residues pruned to eliminate duplicates Z: 13 18.850 2.125 0.422 0.893 1.000 0.667 CB 1.293 15 residues pruned to eliminate duplicates Z: 13 14.041 1.940 0.166 0.835 1.000 0.833 CB 1.343 13 residues pruned to eliminate duplicates Z: 6 5.223 2.078 0.077 0.466 0.800 0.400 CB 1.350 6 residues pruned to eliminate duplicates Z: 14 36.011 2.440 0.743 0.939 1.000 0.846 CB 1.631 14 residues pruned to eliminate duplicates Z: 14 17.988 2.134 0.350 0.859 0.923 0.615 CA 1.381 14 residues pruned to eliminate duplicates Z: 17 17.931 2.022 0.155 0.894 1.000 0.750 CA 1.377 17 residues pruned to eliminate duplicates Z: 14 27.182 2.219 0.895 0.904 1.000 0.692 CB 1.277 14 residues pruned to eliminate duplicates Z: 48 31.262 2.278 0.290 0.470 0.957 0.638 CB 1.671 48 residues pruned to eliminate duplicates Z: 6 3.093 1.416 0.285 0.790 0.800 0.800 CB 0.736 Z: 29 19.499 2.223 0.423 0.423 0.857 0.536 CB 1.474 29 residues pruned to eliminate duplicates Z: 29 29.252 2.317 0.503 0.589 0.964 0.643 CB 1.511 29 residues pruned to eliminate duplicates Z: 11 11.077 2.067 0.189 0.845 0.800 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 13 24.539 2.258 0.623 0.853 0.917 0.333 CA 1.559 13 residues pruned to eliminate duplicates Z: 14 18.063 1.875 0.614 0.848 0.923 0.692 CA 1.330 14 residues pruned to eliminate duplicates Z: 15 24.755 2.309 0.272 0.865 1.000 0.929 CA 1.650 15 residues pruned to eliminate duplicates Z: 15 16.815 1.829 0.376 0.880 0.929 0.714 CA 1.394 14 residues pruned to eliminate duplicates Z: 19 12.379 2.214 0.295 0.314 0.833 0.444 CB 1.499 19 residues pruned to eliminate duplicates Z: 26 21.817 2.208 0.314 0.524 0.880 0.600 CB 1.668 26 residues pruned to eliminate duplicates Z: 10 9.601 2.046 0.043 0.571 0.889 0.556 CB 1.576 10 residues pruned to eliminate duplicates Z: 7 4.166 1.901 -0.189 0.671 1.000 0.500 CA 0.942 7 residues pruned to eliminate duplicates Z: 16 21.754 2.134 0.319 0.839 0.933 0.600 CA 1.597 16 residues pruned to eliminate duplicates Z: 13 16.755 2.129 0.267 0.881 1.000 0.917 CB 1.299 13 residues pruned to eliminate duplicates Z: 33 15.048 2.137 0.234 0.312 0.875 0.531 CB 1.420 33 residues pruned to eliminate duplicates Z: 14 23.677 2.311 0.387 0.818 1.000 0.538 CA 1.555 14 residues pruned to eliminate duplicates Z: 7 16.158 2.199 0.503 0.729 1.000 0.500 CB 1.625 8 residues pruned to eliminate duplicates Z: 11 14.057 2.044 0.112 0.879 1.000 0.800 CB 1.419 11 residues pruned to eliminate duplicates Z: 71 37.683 2.335 0.386 0.451 0.900 0.514 CB 1.626 71 residues pruned to eliminate duplicates Z: 12 18.177 2.123 0.558 0.883 0.909 0.909 CB 1.318 12 residues pruned to eliminate duplicates Z: 13 14.632 2.179 0.103 0.835 0.917 0.583 CA 1.435 13 residues pruned to eliminate duplicates Z: 15 24.663 2.176 0.617 0.915 0.929 0.857 CB 1.426 16 residues pruned to eliminate duplicates Z: 14 18.384 2.106 0.686 0.908 0.923 0.692 CB 1.104 14 residues pruned to eliminate duplicates Z: 13 20.297 2.106 0.534 0.876 1.000 0.750 CB 1.318 13 residues pruned to eliminate duplicates Z: 12 13.760 2.122 0.016 0.917 0.909 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 14 26.160 2.274 0.577 0.844 1.000 0.615 CA 1.506 14 residues pruned to eliminate duplicates Z: 120 59.780 2.330 0.539 0.561 0.891 0.588 CB 1.616 120 residues pruned to eliminate duplicates Z: 57 41.519 2.240 0.467 0.592 0.893 0.625 CA 1.731 57 residues pruned to eliminate duplicates Z: 8 12.667 1.991 0.200 0.892 1.000 1.000 CB 1.440 8 residues pruned to eliminate duplicates Z: 13 13.103 2.039 0.169 0.931 1.000 0.917 CB 1.108 13 residues pruned to eliminate duplicates Z: 42 31.655 2.328 0.396 0.554 0.854 0.634 CB 1.691 42 residues pruned to eliminate duplicates Z: 10 9.255 1.528 0.426 0.912 1.000 1.000 CB 1.002 9 residues pruned to eliminate duplicates Z: 11 11.075 1.667 0.671 0.554 1.000 0.700 CB 1.193 11 residues pruned to eliminate duplicates Z: 33 22.330 2.223 0.408 0.442 0.906 0.594 CB 1.477 33 residues pruned to eliminate duplicates Z: 13 13.887 2.091 0.297 0.914 0.917 0.750 CB 1.140 13 residues pruned to eliminate duplicates Z: 14 13.342 2.088 0.076 0.804 0.923 0.769 CA 1.369 14 residues pruned to eliminate duplicates Z: 58 37.903 2.301 0.451 0.481 0.947 0.579 CB 1.617 58 residues pruned to eliminate duplicates Z: 107 46.300 2.159 0.419 0.554 0.962 0.557 CB 1.447 107 residues pruned to eliminate duplicates Z: 72 46.711 2.290 0.574 0.571 0.901 0.521 CB 1.594 72 residues pruned to eliminate duplicates Z: 15 13.652 1.963 0.940 0.419 0.857 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 12 11.620 1.992 0.087 0.919 0.909 0.909 CB 1.254 12 residues pruned to eliminate duplicates Z: 14 19.345 1.917 0.323 0.901 1.000 0.615 CB 1.510 14 residues pruned to eliminate duplicates Z: 7 8.001 1.785 0.510 0.651 0.833 0.667 CB 1.263 7 residues pruned to eliminate duplicates Z: 21 26.657 2.010 0.703 0.916 0.850 0.400 CB 1.447 21 residues pruned to eliminate duplicates Z: 13 10.578 2.223 0.303 0.410 1.000 0.667 CB 1.158 13 residues pruned to eliminate duplicates Z: 15 20.909 1.870 0.649 0.879 0.929 0.786 CB 1.415 15 residues pruned to eliminate duplicates Z: 13 11.530 2.070 0.240 0.903 1.000 0.833 CB 0.924 13 residues pruned to eliminate duplicates Z: 15 11.690 2.001 0.242 0.433 0.857 0.357 CB 1.572 15 residues pruned to eliminate duplicates Z: 10 10.802 1.760 0.280 0.829 0.889 0.889 N 1.353 10 residues pruned to eliminate duplicates Z: 73 41.995 2.222 0.426 0.493 0.972 0.611 CB 1.618 64 residues pruned to eliminate duplicates Z: 35 19.252 2.254 0.270 0.387 0.912 0.412 CB 1.426 35 residues pruned to eliminate duplicates Z: 12 16.492 2.131 0.698 0.496 1.000 0.636 CB 1.380 12 residues pruned to eliminate duplicates Z: 21 32.926 2.042 0.626 0.894 1.000 0.750 CB 1.591 21 residues pruned to eliminate duplicates Z: 16 20.823 2.103 0.481 0.735 0.933 0.600 CA 1.498 16 residues pruned to eliminate duplicates Z: 22 21.211 1.987 0.187 0.846 0.952 0.810 CB 1.531 22 residues pruned to eliminate duplicates Z: 40 34.826 2.436 0.409 0.516 0.897 0.590 CB 1.782 40 residues pruned to eliminate duplicates Z: 14 16.288 2.135 0.182 0.867 1.000 0.692 CB 1.309 14 residues pruned to eliminate duplicates Z: 45 24.136 2.159 0.246 0.511 0.909 0.545 CB 1.471 45 residues pruned to eliminate duplicates Z: 23 17.117 2.307 0.396 0.413 0.864 0.545 CB 1.437 23 residues pruned to eliminate duplicates Z: 6 10.633 1.959 0.430 0.750 1.000 0.600 CA 1.358 6 residues pruned to eliminate duplicates Z: 42 41.827 2.352 0.674 0.548 0.927 0.585 CB 1.709 42 residues pruned to eliminate duplicates Z: 27 34.678 2.338 0.662 0.576 0.962 0.654 CB 1.691 27 residues pruned to eliminate duplicates Z: 9 10.116 2.108 0.153 0.848 0.875 0.625 CB 1.248 9 residues pruned to eliminate duplicates Z: 14 16.895 2.095 0.303 0.914 1.000 0.692 CB 1.214 14 residues pruned to eliminate duplicates Z: 11 11.601 1.927 0.133 0.911 0.900 0.800 CB 1.324 11 residues pruned to eliminate duplicates Z: 11 13.356 2.067 0.288 0.840 0.900 0.800 CB 1.315 11 residues pruned to eliminate duplicates Z: 88 45.424 2.308 0.467 0.519 0.874 0.529 CB 1.617 88 residues pruned to eliminate duplicates Z: 31 28.719 2.149 0.530 0.575 0.933 0.767 CA 1.589 31 residues pruned to eliminate duplicates Z: 12 20.816 2.360 0.617 0.561 1.000 0.818 CB 1.550 12 residues pruned to eliminate duplicates Z: 6 12.006 1.884 0.342 0.877 1.000 1.000 CB 1.543 6 residues pruned to eliminate duplicates Z: 14 16.623 2.064 0.812 0.485 0.846 0.538 CB 1.479 14 residues pruned to eliminate duplicates Z: 14 21.717 2.094 0.363 0.883 1.000 0.692 CB 1.525 14 residues pruned to eliminate duplicates Z: 17 21.852 2.112 0.543 0.854 0.938 0.938 CB 1.321 17 residues pruned to eliminate duplicates Z: 6 8.366 1.832 0.175 0.822 1.000 0.800 CB 1.314 6 residues pruned to eliminate duplicates Z: 78 43.814 2.209 0.559 0.504 0.922 0.532 CB 1.566 78 residues pruned to eliminate duplicates Z: 10 8.032 1.474 0.649 0.896 1.000 0.778 CB 0.789 10 residues pruned to eliminate duplicates Z: 13 17.117 2.127 0.324 0.901 1.000 0.667 CB 1.253 13 residues pruned to eliminate duplicates Z: 12 15.377 1.948 0.219 0.923 1.000 0.545 CB 1.371 12 residues pruned to eliminate duplicates Z: 15 22.139 2.087 0.894 0.890 1.000 0.571 CB 1.077 15 residues pruned to eliminate duplicates Z: 24 24.215 2.141 0.626 0.598 0.913 0.652 CB 1.447 28 residues pruned to eliminate duplicates Z: 6 9.124 1.751 0.437 0.862 1.000 0.800 CB 1.190 6 residues pruned to eliminate duplicates Z: 16 17.935 2.123 0.319 0.853 1.000 0.867 CB 1.222 16 residues pruned to eliminate duplicates Z: 12 16.536 1.945 0.239 0.849 1.000 0.818 CB 1.533 12 residues pruned to eliminate duplicates Z: 13 12.044 1.865 0.200 0.820 0.833 0.667 CB 1.413 13 residues pruned to eliminate duplicates Z: 14 23.109 2.168 0.857 0.829 0.769 0.385 CA 1.557 14 residues pruned to eliminate duplicates Z: 14 20.360 1.855 0.552 0.905 1.000 0.615 CB 1.395 14 residues pruned to eliminate duplicates Z: 7 9.395 1.883 0.404 0.622 1.000 0.500 CA 1.293 7 residues pruned to eliminate duplicates Z: 10 11.410 1.969 0.374 0.414 0.889 0.444 CA 1.731 10 residues pruned to eliminate duplicates Z: 15 25.843 2.164 0.564 0.859 1.000 0.786 CB 1.502 15 residues pruned to eliminate duplicates Z: 14 16.936 1.876 0.663 0.906 0.769 0.538 CB 1.392 14 residues pruned to eliminate duplicates Z: 26 28.279 2.362 0.341 0.692 0.920 0.800 CB 1.629 26 residues pruned to eliminate duplicates Z: 22 20.561 2.152 0.451 0.589 0.857 0.667 CB 1.540 22 residues pruned to eliminate duplicates Z: 12 12.000 1.938 -0.047 0.911 1.000 1.000 CB 1.389 12 residues pruned to eliminate duplicates Z: 16 22.118 2.132 0.364 0.891 1.000 0.933 CB 1.411 16 residues pruned to eliminate duplicates Z: 13 12.974 2.186 0.022 0.756 0.917 0.500 CA 1.456 13 residues pruned to eliminate duplicates Z: 14 13.180 2.159 0.126 0.883 0.923 0.692 CB 1.178 14 residues pruned to eliminate duplicates Z: 16 29.312 2.236 0.509 0.852 1.000 0.667 CA 1.659 16 residues pruned to eliminate duplicates Z: 11 13.209 1.987 0.120 0.915 1.000 1.000 CB 1.327 11 residues pruned to eliminate duplicates Z: 6 6.250 1.893 0.004 0.790 0.800 0.800 CB 1.426 6 residues pruned to eliminate duplicates Z: 14 20.514 2.097 0.606 0.940 1.000 0.846 CB 1.173 14 residues pruned to eliminate duplicates Z: 40 46.483 2.298 0.754 0.659 0.949 0.462 CB 1.680 40 residues pruned to eliminate duplicates Z: 9 12.166 2.101 0.277 0.552 1.000 0.625 CB 1.525 9 residues pruned to eliminate duplicates Z: 9 9.266 1.665 0.324 0.865 0.875 0.875 CB 1.245 9 residues pruned to eliminate duplicates Z: 10 9.077 1.626 0.302 0.817 0.889 0.667 N 1.221 10 residues pruned to eliminate duplicates Z: 19 43.214 2.333 0.707 0.926 0.944 0.500 CB 1.900 19 residues pruned to eliminate duplicates Z: 13 16.528 1.876 0.332 0.913 1.000 0.917 CB 1.352 12 residues pruned to eliminate duplicates Z: 51 41.851 2.307 0.422 0.613 0.940 0.680 CB 1.724 51 residues pruned to eliminate duplicates Z: 14 16.134 1.943 0.568 0.921 0.846 0.769 CB 1.221 14 residues pruned to eliminate duplicates Z: 16 20.675 2.221 0.685 0.444 0.933 0.600 CB 1.619 16 residues pruned to eliminate duplicates Z: 7 4.793 1.711 0.476 0.551 0.833 0.833 CB 0.885 7 residues pruned to eliminate duplicates Z: 52 43.752 2.349 0.473 0.704 0.902 0.588 CB 1.630 52 residues pruned to eliminate duplicates Z: 32 38.764 2.418 0.473 0.718 0.968 0.613 CB 1.658 32 residues pruned to eliminate duplicates Z: 11 27.228 2.450 0.599 0.922 1.000 0.800 CB 1.545 11 residues pruned to eliminate duplicates Z: 19 18.232 1.889 0.714 0.523 0.944 0.611 CB 1.374 19 residues pruned to eliminate duplicates Z: 8 10.398 1.766 0.690 0.655 0.857 0.429 CB 1.330 8 residues pruned to eliminate duplicates Z: 11 9.231 2.137 0.010 0.884 0.800 0.600 CB 1.221 11 residues pruned to eliminate duplicates Z: 55 33.658 2.221 0.528 0.544 0.870 0.574 CB 1.486 55 residues pruned to eliminate duplicates Z: 43 46.332 2.427 0.577 0.587 0.952 0.762 CB 1.805 43 residues pruned to eliminate duplicates Z: 12 13.123 1.904 0.272 0.782 1.000 0.636 CB 1.274 12 residues pruned to eliminate duplicates Z: 72 32.299 2.064 0.434 0.481 0.944 0.535 CB 1.400 72 residues pruned to eliminate duplicates Z: 13 10.569 1.789 0.523 0.483 0.917 0.667 CB 1.243 13 residues pruned to eliminate duplicates Z: 11 16.964 1.974 0.354 0.907 1.000 0.900 CB 1.427 12 residues pruned to eliminate duplicates Z: 51 38.878 2.151 0.394 0.680 1.000 0.700 CA 1.554 51 residues pruned to eliminate duplicates Z: 10 14.278 1.723 0.460 0.892 1.000 0.778 N 1.359 10 residues pruned to eliminate duplicates Z: 15 23.063 2.119 0.555 0.861 1.000 0.857 CB 1.375 15 residues pruned to eliminate duplicates Z: 73 55.654 2.348 0.613 0.630 0.958 0.542 CB 1.599 73 residues pruned to eliminate duplicates Z: 12 19.605 1.901 0.616 0.890 1.000 0.727 CA 1.384 12 residues pruned to eliminate duplicates Z: 13 10.458 1.803 0.810 0.512 0.750 0.583 CB 1.219 13 residues pruned to eliminate duplicates Z: 10 12.123 1.797 0.589 0.907 0.778 0.333 CB 1.293 10 residues pruned to eliminate duplicates Z: 75 36.912 2.162 0.307 0.559 0.932 0.662 CB 1.538 75 residues pruned to eliminate duplicates Z: 12 14.148 2.012 0.168 0.920 1.000 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 30 18.426 2.183 0.352 0.455 0.862 0.483 CB 1.409 30 residues pruned to eliminate duplicates Z: 17 19.115 2.132 0.358 0.867 0.938 0.938 CB 1.289 17 residues pruned to eliminate duplicates Z: 31 22.472 2.025 0.289 0.641 0.933 0.667 CB 1.476 31 residues pruned to eliminate duplicates Z: 15 17.984 1.998 0.475 0.831 1.000 0.643 CA 1.226 15 residues pruned to eliminate duplicates Z: 10 12.071 1.721 0.627 0.871 0.889 0.667 CB 1.179 10 residues pruned to eliminate duplicates Z: 13 17.420 2.147 0.443 0.848 1.000 0.833 CB 1.203 13 residues pruned to eliminate duplicates Z: 12 8.922 2.084 0.376 0.388 0.909 0.727 CA 1.162 12 residues pruned to eliminate duplicates Z: 25 27.836 2.246 0.599 0.569 0.958 0.625 CB 1.545 25 residues pruned to eliminate duplicates Z: 7 14.639 1.898 0.490 0.822 1.000 0.667 N 1.598 7 residues pruned to eliminate duplicates Z: 12 9.295 1.831 0.253 0.835 0.727 0.545 CB 1.258 12 residues pruned to eliminate duplicates Z: 13 12.708 2.082 0.029 0.926 1.000 0.917 CB 1.202 13 residues pruned to eliminate duplicates Z: 12 22.269 2.098 0.687 0.904 0.909 0.636 CB 1.486 12 residues pruned to eliminate duplicates Z: 6 7.088 1.850 0.449 0.889 1.000 1.000 CB 0.851 6 residues pruned to eliminate duplicates Z: 61 42.068 2.263 0.576 0.545 0.867 0.600 CB 1.681 61 residues pruned to eliminate duplicates Z: 17 14.528 2.053 0.465 0.451 0.812 0.562 CA 1.563 17 residues pruned to eliminate duplicates Z: 46 37.312 2.292 0.479 0.532 0.956 0.578 CB 1.664 46 residues pruned to eliminate duplicates Z: 11 20.244 2.311 0.478 0.773 0.900 0.500 CB 1.636 11 residues pruned to eliminate duplicates Z: 9 3.258 1.781 0.221 0.261 0.625 0.375 CB 1.113 9 residues pruned to eliminate duplicates Z: 19 15.663 2.242 0.454 0.392 0.833 0.611 CB 1.524 19 residues pruned to eliminate duplicates Z: 107 46.649 2.175 0.483 0.535 0.953 0.519 CB 1.425 107 residues pruned to eliminate duplicates Z: 59 39.762 2.173 0.377 0.656 0.983 0.638 CA 1.536 59 residues pruned to eliminate duplicates Z: 6 2.879 1.374 0.602 0.465 0.600 0.600 C 1.011 Z: 33 33.524 2.177 0.541 0.664 0.938 0.375 CB 1.619 33 residues pruned to eliminate duplicates Z: 12 8.437 2.014 0.296 0.391 0.909 0.727 CB 1.203 12 residues pruned to eliminate duplicates Z: 8 5.674 1.443 0.572 0.678 0.857 0.857 CB 0.936 Z: 29 27.778 2.257 0.526 0.513 0.857 0.536 CA 1.755 29 residues pruned to eliminate duplicates Z: 75 38.445 2.200 0.504 0.476 0.919 0.486 CB 1.505 75 residues pruned to eliminate duplicates Z: 20 28.015 2.161 0.666 0.654 1.000 0.789 CA 1.547 20 residues pruned to eliminate duplicates Z: 9 3.469 1.479 0.597 0.260 0.625 0.500 O 1.092 9 residues pruned to eliminate duplicates Z: 17 20.319 2.237 0.405 0.905 0.750 0.438 CB 1.533 17 residues pruned to eliminate duplicates Z: 25 19.775 2.128 0.240 0.559 0.917 0.625 CB 1.576 25 residues pruned to eliminate duplicates Z: 11 13.430 2.169 0.258 0.594 0.900 0.800 CB 1.581 11 residues pruned to eliminate duplicates Z: 13 17.107 2.161 0.371 0.890 0.917 0.833 CB 1.308 13 residues pruned to eliminate duplicates Z: 14 17.089 1.922 0.545 0.855 1.000 0.692 CB 1.178 13 residues pruned to eliminate duplicates Z: 12 22.165 2.286 0.662 0.904 0.818 0.091 CB 1.532 12 residues pruned to eliminate duplicates Z: 62 36.846 2.152 0.530 0.604 0.902 0.492 CB 1.440 62 residues pruned to eliminate duplicates Z: 9 6.486 1.575 0.077 0.897 1.000 1.000 CB 0.968 9 residues pruned to eliminate duplicates Z: 21 27.950 2.041 0.585 0.857 0.950 0.400 CB 1.498 21 residues pruned to eliminate duplicates Z: 100 52.723 2.268 0.545 0.588 0.899 0.515 CB 1.546 100 residues pruned to eliminate duplicates Z: 9 13.664 2.203 0.188 0.864 0.875 0.625 CB 1.547 9 residues pruned to eliminate duplicates Z: 17 24.457 2.175 0.634 0.683 1.000 0.812 CA 1.454 17 residues pruned to eliminate duplicates Z: 49 34.984 2.284 0.514 0.604 0.875 0.417 CB 1.512 49 residues pruned to eliminate duplicates Z: 14 11.801 2.114 -0.148 0.926 1.000 1.000 CB 1.274 14 residues pruned to eliminate duplicates Z: 21 27.836 1.992 0.615 0.902 0.950 0.350 CB 1.452 21 residues pruned to eliminate duplicates Z: 7 9.390 1.616 0.766 0.687 0.833 0.833 N 1.358 7 residues pruned to eliminate duplicates Z: 77 54.480 2.371 0.624 0.601 0.921 0.553 CB 1.601 77 residues pruned to eliminate duplicates Z: 8 11.606 2.009 0.685 0.660 0.857 0.714 CA 1.302 8 residues pruned to eliminate duplicates Z: 80 44.714 2.306 0.455 0.529 0.937 0.557 CB 1.556 80 residues pruned to eliminate duplicates Z: 12 4.822 1.743 0.261 0.314 0.818 0.455 CB 0.993 12 residues pruned to eliminate duplicates Z: 80 39.973 2.091 0.461 0.600 0.937 0.519 CB 1.428 80 residues pruned to eliminate duplicates Z: 20 13.969 1.971 0.366 0.544 0.895 0.526 CB 1.273 20 residues pruned to eliminate duplicates Z: 93 47.303 2.306 0.498 0.521 0.902 0.587 CB 1.551 93 residues pruned to eliminate duplicates Z: 81 33.960 2.161 0.440 0.473 0.875 0.525 CB 1.432 81 residues pruned to eliminate duplicates Z: 7 6.356 1.675 0.267 0.704 1.000 1.000 CB 1.016 7 residues pruned to eliminate duplicates Z: 45 20.040 2.163 0.232 0.430 0.886 0.545 CB 1.375 45 residues pruned to eliminate duplicates Z: 15 16.556 2.068 0.415 0.879 1.000 0.643 CB 1.097 15 residues pruned to eliminate duplicates Z: 6 3.223 1.624 -0.042 0.422 1.000 0.800 N 1.004 Z: 76 41.150 2.297 0.394 0.519 0.933 0.547 CB 1.560 76 residues pruned to eliminate duplicates Z: 6 4.930 1.673 0.192 0.715 0.800 0.400 CB 1.137 Z: 12 12.892 1.732 0.393 0.791 0.909 0.727 CA 1.373 12 residues pruned to eliminate duplicates Z: 12 20.416 2.064 0.406 0.905 1.000 0.818 CB 1.510 12 residues pruned to eliminate duplicates Z: 31 40.161 2.447 0.584 0.689 0.933 0.467 CB 1.704 31 residues pruned to eliminate duplicates Z: 12 6.943 1.919 0.061 0.422 0.909 0.455 CB 1.226 12 residues pruned to eliminate duplicates Z: 9 6.127 1.741 0.136 0.512 1.000 0.875 CB 1.082 9 residues pruned to eliminate duplicates Z: 9 4.338 1.361 0.497 0.875 0.875 0.875 CB 0.626 9 residues pruned to eliminate duplicates Z: 18 12.248 2.066 0.208 0.486 0.882 0.471 CB 1.369 18 residues pruned to eliminate duplicates Z: 18 21.085 1.972 0.828 0.672 0.941 0.765 CB 1.286 18 residues pruned to eliminate duplicates Z: 29 32.241 2.174 0.537 0.598 1.000 0.571 CA 1.660 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 7.680 1.784 0.992 0.545 0.833 0.333 CA 1.013 7 residues pruned to eliminate duplicates Z: 7 10.147 1.888 0.633 0.660 0.833 0.667 CA 1.391 7 residues pruned to eliminate duplicates Z: 7 14.004 1.897 0.603 0.705 1.000 0.500 N 1.560 7 residues pruned to eliminate duplicates Z: 6 20.185 2.193 0.966 0.720 1.000 0.400 CA 1.717 6 residues pruned to eliminate duplicates Z: 16 29.851 2.297 0.600 0.787 1.000 0.667 CB 1.630 16 residues pruned to eliminate duplicates Z: 18 23.982 2.303 0.468 0.678 0.941 0.647 CB 1.552 18 residues pruned to eliminate duplicates Z: 20 22.159 2.200 0.618 0.618 0.842 0.789 CB 1.517 20 residues pruned to eliminate duplicates Z: 74 38.403 2.234 0.407 0.518 0.918 0.507 CB 1.530 74 residues pruned to eliminate duplicates Z: 20 23.652 2.221 0.453 0.688 0.895 0.895 CB 1.583 20 residues pruned to eliminate duplicates Z: 17 27.579 2.258 0.538 0.721 1.000 0.812 CB 1.626 17 residues pruned to eliminate duplicates Z: 20 22.737 2.227 0.557 0.626 0.895 0.632 CB 1.493 20 residues pruned to eliminate duplicates Z: 22 23.225 2.162 0.506 0.639 0.905 0.714 CB 1.510 22 residues pruned to eliminate duplicates Z: 71 42.211 2.241 0.487 0.522 0.957 0.543 CB 1.548 71 residues pruned to eliminate duplicates Z: 17 25.748 2.228 0.565 0.745 0.938 0.750 CB 1.581 17 residues pruned to eliminate duplicates Z: 27 19.637 2.111 0.576 0.511 0.808 0.577 CB 1.418 21 residues pruned to eliminate duplicates Z: 14 32.443 2.241 0.913 0.916 1.000 0.538 CA 1.483 14 residues pruned to eliminate duplicates Z: 19 23.799 2.245 0.527 0.695 0.889 0.667 CB 1.540 19 residues pruned to eliminate duplicates Z: 17 29.473 2.242 0.703 0.751 1.000 0.625 CA 1.544 17 residues pruned to eliminate duplicates Z: 8 10.549 1.994 0.221 0.634 1.000 0.714 CB 1.444 8 residues pruned to eliminate duplicates Z: 8 11.191 1.996 0.292 0.630 1.000 0.714 CB 1.452 8 residues pruned to eliminate duplicates Z: 7 16.175 2.223 0.624 0.703 1.000 0.500 CB 1.521 7 residues pruned to eliminate duplicates Z: 14 20.938 1.946 0.605 0.836 0.923 0.538 CA 1.507 15 residues pruned to eliminate duplicates Z: 13 18.689 1.895 0.458 0.859 1.000 0.667 CA 1.437 13 residues pruned to eliminate duplicates Z: 15 19.459 1.895 0.743 0.808 0.857 0.571 CB 1.404 15 residues pruned to eliminate duplicates Z: 15 19.200 1.876 0.630 0.757 0.929 0.357 CB 1.437 15 residues pruned to eliminate duplicates Z: 15 18.829 1.871 0.735 0.759 0.857 0.571 CB 1.436 15 residues pruned to eliminate duplicates Z: 15 20.204 1.899 0.671 0.816 0.929 0.571 CB 1.392 15 residues pruned to eliminate duplicates Z: 15 19.897 1.887 0.811 0.827 0.857 0.500 CB 1.368 15 residues pruned to eliminate duplicates Z: 15 17.319 1.913 0.509 0.802 0.857 0.643 CB 1.437 15 residues pruned to eliminate duplicates Z: 16 20.340 1.823 0.839 0.757 1.000 0.400 CB 1.246 16 residues pruned to eliminate duplicates Z: 15 18.341 1.858 0.694 0.791 0.857 0.500 CB 1.407 15 residues pruned to eliminate duplicates Z: 15 20.103 1.864 0.657 0.843 0.929 0.500 CB 1.395 15 residues pruned to eliminate duplicates Z: 16 19.894 1.790 0.749 0.879 0.933 0.600 CB 1.274 16 residues pruned to eliminate duplicates Z: 17 20.617 2.191 0.649 0.494 0.875 0.562 CB 1.640 17 residues pruned to eliminate duplicates Z: 20 26.015 1.962 0.846 0.548 1.000 0.684 CB 1.572 20 residues pruned to eliminate duplicates Z: 17 23.811 2.118 1.006 0.549 1.000 0.688 CB 1.336 18 residues pruned to eliminate duplicates Z: 8 10.187 1.771 0.579 0.583 1.000 0.714 CA 1.271 8 residues pruned to eliminate duplicates Z: 18 26.605 2.147 0.927 0.509 1.000 0.529 CB 1.546 18 residues pruned to eliminate duplicates Z: 12 12.049 2.053 0.381 0.527 0.727 0.636 CA 1.715 12 residues pruned to eliminate duplicates Z: 19 26.132 2.090 0.878 0.493 1.000 0.667 CB 1.580 19 residues pruned to eliminate duplicates Z: 17 22.425 2.212 0.808 0.517 0.875 0.625 CB 1.575 17 residues pruned to eliminate duplicates Z: 19 25.040 2.103 0.823 0.481 1.000 0.667 CB 1.568 18 residues pruned to eliminate duplicates Z: 8 15.724 2.054 0.428 0.707 1.000 0.857 CB 1.679 8 residues pruned to eliminate duplicates Z: 18 23.584 2.136 0.838 0.552 0.882 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 17 24.031 2.212 0.776 0.497 0.938 0.750 CB 1.636 19 residues pruned to eliminate duplicates Z: 15 16.912 2.101 0.349 0.711 1.000 0.571 CB 1.316 15 residues pruned to eliminate duplicates Z: 24 22.227 2.048 0.505 0.625 0.957 0.739 CB 1.397 24 residues pruned to eliminate duplicates Z: 36 25.017 1.987 0.503 0.588 0.943 0.543 CB 1.380 34 residues pruned to eliminate duplicates Z: 13 16.364 2.119 0.262 0.863 1.000 0.750 CB 1.297 13 residues pruned to eliminate duplicates Z: 35 23.892 1.983 0.465 0.603 0.912 0.529 CB 1.403 36 residues pruned to eliminate duplicates Z: 13 19.916 2.151 0.565 0.859 0.917 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 91 55.176 2.297 0.537 0.582 0.922 0.656 CB 1.652 91 residues pruned to eliminate duplicates Z: 23 25.052 2.074 0.571 0.664 1.000 0.773 CB 1.409 23 residues pruned to eliminate duplicates Z: 34 28.520 2.030 0.604 0.631 0.939 0.576 CB 1.435 34 residues pruned to eliminate duplicates Z: 24 26.389 2.074 0.549 0.684 1.000 0.696 CB 1.447 24 residues pruned to eliminate duplicates Z: 39 29.976 2.093 0.705 0.537 0.947 0.579 CB 1.387 42 residues pruned to eliminate duplicates Z: 12 21.321 2.137 0.648 0.828 1.000 0.727 CB 1.374 12 residues pruned to eliminate duplicates Z: 34 26.019 2.007 0.472 0.629 0.970 0.667 CB 1.399 34 residues pruned to eliminate duplicates Z: 36 30.218 1.996 0.638 0.622 1.000 0.600 CB 1.392 36 residues pruned to eliminate duplicates Z: 24 23.915 2.045 0.722 0.628 1.000 0.826 CB 1.255 24 residues pruned to eliminate duplicates Z: 22 22.640 2.128 0.454 0.678 0.952 0.714 CB 1.423 22 residues pruned to eliminate duplicates Z: 35 24.002 1.986 0.485 0.595 0.941 0.588 CB 1.354 35 residues pruned to eliminate duplicates Z: 36 25.264 1.986 0.512 0.612 0.943 0.657 CB 1.356 36 residues pruned to eliminate duplicates Z: 25 20.864 2.027 0.530 0.609 0.917 0.708 CB 1.350 25 residues pruned to eliminate duplicates Z: 24 22.145 2.054 0.478 0.626 0.957 0.739 CB 1.412 24 residues pruned to eliminate duplicates Z: 36 23.523 1.960 0.481 0.603 0.914 0.571 CB 1.359 36 residues pruned to eliminate duplicates Z: 24 24.727 2.063 0.494 0.662 1.000 0.696 CB 1.439 24 residues pruned to eliminate duplicates Z: 26 23.208 2.020 0.521 0.625 0.960 0.720 CB 1.398 26 residues pruned to eliminate duplicates Z: 33 30.123 2.114 0.607 0.629 0.938 0.625 CB 1.481 33 residues pruned to eliminate duplicates Z: 52 46.361 2.308 0.588 0.564 0.961 0.686 CB 1.732 52 residues pruned to eliminate duplicates Z: 50 29.158 2.121 0.620 0.501 0.796 0.592 CB 1.522 50 residues pruned to eliminate duplicates Z: 62 45.629 2.386 0.508 0.596 0.869 0.656 CB 1.705 62 residues pruned to eliminate duplicates Z: 59 38.263 2.162 0.558 0.567 0.897 0.707 CB 1.559 59 residues pruned to eliminate duplicates Z: 52 46.749 2.362 0.648 0.607 0.882 0.725 CB 1.722 52 residues pruned to eliminate duplicates Z: 31 29.791 2.245 0.651 0.588 0.867 0.667 CB 1.555 31 residues pruned to eliminate duplicates Z: 32 29.799 2.227 0.632 0.558 0.903 0.581 CB 1.542 32 residues pruned to eliminate duplicates Z: 33 29.210 2.253 0.586 0.522 0.875 0.594 CB 1.616 33 residues pruned to eliminate duplicates Z: 125 53.775 2.314 0.363 0.540 0.903 0.565 CB 1.629 125 residues pruned to eliminate duplicates Z: 125 59.380 2.331 0.364 0.568 0.952 0.637 CB 1.649 125 residues pruned to eliminate duplicates Z: 180 70.214 2.330 0.454 0.547 0.922 0.581 CB 1.604 180 residues pruned to eliminate duplicates Z: 85 48.558 2.323 0.475 0.515 0.952 0.583 CB 1.599 85 residues pruned to eliminate duplicates Z: 24 21.219 2.291 0.400 0.538 0.870 0.565 CB 1.528 24 residues pruned to eliminate duplicates Z: 53 48.443 2.432 0.551 0.604 0.923 0.615 CB 1.747 53 residues pruned to eliminate duplicates Z: 108 50.571 2.246 0.492 0.551 0.916 0.598 CB 1.516 108 residues pruned to eliminate duplicates Z: 52 41.269 2.350 0.441 0.577 0.922 0.608 CB 1.720 52 residues pruned to eliminate duplicates Z: 66 50.553 2.375 0.494 0.563 0.954 0.615 CB 1.743 66 residues pruned to eliminate duplicates Z: 31 35.376 2.341 0.554 0.593 1.000 0.633 CB 1.624 31 residues pruned to eliminate duplicates Z: 74 47.198 2.362 0.552 0.522 0.932 0.616 CB 1.583 74 residues pruned to eliminate duplicates Z: 49 44.269 2.360 0.473 0.598 1.000 0.667 CB 1.673 49 residues pruned to eliminate duplicates Z: 24 28.807 2.284 0.674 0.564 0.957 0.783 CB 1.544 24 residues pruned to eliminate duplicates Z: 157 71.378 2.344 0.499 0.572 0.942 0.590 CB 1.610 157 residues pruned to eliminate duplicates Z: 27 36.336 2.339 0.617 0.684 0.962 0.808 CB 1.656 27 residues pruned to eliminate duplicates Z: 42 47.232 2.453 0.569 0.627 0.951 0.610 CB 1.788 42 residues pruned to eliminate duplicates Z: 62 48.324 2.320 0.550 0.561 0.951 0.623 CB 1.706 62 residues pruned to eliminate duplicates Z: 62 46.896 2.383 0.508 0.571 0.918 0.557 CB 1.700 62 residues pruned to eliminate duplicates Z: 38 33.714 2.358 0.516 0.538 0.892 0.622 CB 1.675 38 residues pruned to eliminate duplicates Z: 93 47.690 2.323 0.442 0.522 0.902 0.576 CB 1.610 93 residues pruned to eliminate duplicates Z: 73 50.057 2.325 0.553 0.548 0.944 0.569 CB 1.651 73 residues pruned to eliminate duplicates Z: 69 44.683 2.368 0.468 0.534 0.912 0.588 CB 1.652 69 residues pruned to eliminate duplicates Z: 86 46.739 2.335 0.538 0.479 0.906 0.471 CB 1.591 86 residues pruned to eliminate duplicates Z: 62 48.679 2.379 0.495 0.566 0.951 0.623 CB 1.729 62 residues pruned to eliminate duplicates Z: 91 43.382 2.308 0.460 0.481 0.867 0.567 CB 1.596 91 residues pruned to eliminate duplicates Z: 49 44.705 2.441 0.504 0.571 0.917 0.542 CB 1.790 49 residues pruned to eliminate duplicates Z: 25 32.878 2.341 0.482 0.605 0.917 0.542 CA 1.909 25 residues pruned to eliminate duplicates Z: 91 47.891 2.315 0.488 0.511 0.889 0.544 CB 1.630 91 residues pruned to eliminate duplicates Z: 43 37.083 2.386 0.505 0.562 0.857 0.643 CB 1.751 43 residues pruned to eliminate duplicates Z: 61 50.865 2.382 0.502 0.592 0.983 0.600 CB 1.709 61 residues pruned to eliminate duplicates Z: 68 45.229 2.356 0.448 0.561 0.896 0.567 CB 1.705 68 residues pruned to eliminate duplicates Z: 47 43.851 2.433 0.424 0.590 0.978 0.674 CB 1.751 47 residues pruned to eliminate duplicates Z: 58 33.865 2.342 0.310 0.490 0.912 0.579 CB 1.619 58 residues pruned to eliminate duplicates Z: 53 36.907 2.191 0.630 0.524 0.846 0.538 CB 1.655 53 residues pruned to eliminate duplicates Z: 76 44.045 2.335 0.529 0.513 0.880 0.587 CB 1.598 76 residues pruned to eliminate duplicates Z: 103 54.566 2.334 0.480 0.549 0.912 0.539 CB 1.635 103 residues pruned to eliminate duplicates Z: 84 48.219 2.353 0.463 0.514 0.916 0.566 CB 1.657 84 residues pruned to eliminate duplicates Z: 73 46.176 2.269 0.446 0.586 0.944 0.681 CB 1.617 73 residues pruned to eliminate duplicates Z: 58 44.885 2.413 0.518 0.577 0.877 0.614 CB 1.717 58 residues pruned to eliminate duplicates Z: 116 55.817 2.362 0.441 0.552 0.904 0.609 CB 1.608 116 residues pruned to eliminate duplicates Z: 116 52.069 2.271 0.505 0.521 0.913 0.522 CB 1.524 116 residues pruned to eliminate duplicates Z: 173 66.079 2.339 0.409 0.541 0.913 0.570 CB 1.610 173 residues pruned to eliminate duplicates Z: 82 52.508 2.270 0.527 0.583 0.951 0.716 CB 1.634 82 residues pruned to eliminate duplicates Z: 68 46.615 2.369 0.529 0.534 0.881 0.507 CB 1.726 68 residues pruned to eliminate duplicates Z: 14 11.722 2.311 0.365 0.409 0.769 0.462 CB 1.474 14 residues pruned to eliminate duplicates Z: 152 61.434 2.279 0.463 0.569 0.894 0.609 CB 1.570 152 residues pruned to eliminate duplicates Z: 58 45.514 2.328 0.591 0.537 0.930 0.632 CB 1.687 58 residues pruned to eliminate duplicates Z: 12 18.072 2.421 0.597 0.530 0.818 0.636 CB 1.671 12 residues pruned to eliminate duplicates Z: 82 49.913 2.342 0.540 0.532 0.938 0.630 CB 1.589 82 residues pruned to eliminate duplicates Z: 70 46.033 2.327 0.530 0.510 0.928 0.652 CB 1.661 70 residues pruned to eliminate duplicates Z: 11 14.175 2.221 0.823 0.428 0.900 0.500 CB 1.326 11 residues pruned to eliminate duplicates Z: 91 43.326 2.246 0.458 0.473 0.900 0.589 CB 1.593 91 residues pruned to eliminate duplicates Z: 119 50.287 2.246 0.421 0.522 0.915 0.602 CB 1.551 119 residues pruned to eliminate duplicates Z: 130 52.144 2.328 0.403 0.515 0.891 0.543 CB 1.553 130 residues pruned to eliminate duplicates Z: 17 10.575 2.090 0.271 0.385 0.938 0.562 CB 1.200 17 residues pruned to eliminate duplicates Z: 63 34.659 2.297 0.394 0.543 0.871 0.565 CB 1.514 63 residues pruned to eliminate duplicates Z: 42 22.222 2.262 0.306 0.412 0.854 0.488 CB 1.509 42 residues pruned to eliminate duplicates Z: 63 38.824 2.332 0.363 0.541 0.919 0.532 CB 1.621 63 residues pruned to eliminate duplicates Z: 59 36.631 2.347 0.324 0.503 0.948 0.672 CB 1.628 59 residues pruned to eliminate duplicates Z: 78 47.732 2.356 0.597 0.493 0.909 0.597 CB 1.601 78 residues pruned to eliminate duplicates Z: 89 48.795 2.314 0.459 0.550 0.898 0.568 CB 1.635 89 residues pruned to eliminate duplicates Z: 31 18.088 2.225 0.255 0.417 0.867 0.433 CB 1.488 31 residues pruned to eliminate duplicates Z: 81 44.643 2.290 0.597 0.490 0.875 0.562 CB 1.576 81 residues pruned to eliminate duplicates Z: 95 44.610 2.326 0.372 0.555 0.872 0.574 CB 1.566 95 residues pruned to eliminate duplicates Z: 83 46.920 2.356 0.514 0.507 0.878 0.622 CB 1.644 83 residues pruned to eliminate duplicates Z: 93 48.034 2.337 0.484 0.484 0.891 0.576 CB 1.647 93 residues pruned to eliminate duplicates Z: 31 15.427 2.172 0.308 0.382 0.767 0.467 CB 1.465 31 residues pruned to eliminate duplicates Z: 22 11.041 2.074 0.322 0.353 0.810 0.476 CB 1.273 22 residues pruned to eliminate duplicates Z: 42 30.497 2.256 0.254 0.630 0.927 0.488 CB 1.608 42 residues pruned to eliminate duplicates Z: 52 32.077 2.263 0.329 0.586 0.863 0.490 CB 1.595 52 residues pruned to eliminate duplicates Z: 85 46.661 2.326 0.535 0.496 0.881 0.536 CB 1.625 85 residues pruned to eliminate duplicates Z: 72 37.100 2.308 0.413 0.454 0.887 0.507 CB 1.595 72 residues pruned to eliminate duplicates Z: 47 23.678 2.180 0.421 0.385 0.891 0.457 CB 1.429 47 residues pruned to eliminate duplicates Z: 92 45.165 2.287 0.460 0.485 0.868 0.527 CB 1.657 92 residues pruned to eliminate duplicates Z: 117 52.836 2.272 0.478 0.514 0.905 0.569 CB 1.592 117 residues pruned to eliminate duplicates Z: 61 39.417 2.306 0.511 0.560 0.883 0.567 CB 1.559 61 residues pruned to eliminate duplicates Z: 122 50.155 2.218 0.454 0.496 0.917 0.537 CB 1.547 122 residues pruned to eliminate duplicates Z: 93 54.103 2.329 0.562 0.505 0.913 0.522 CB 1.689 93 residues pruned to eliminate duplicates Z: 33 19.351 2.136 0.336 0.407 0.906 0.406 CB 1.458 33 residues pruned to eliminate duplicates Z: 116 54.204 2.281 0.490 0.543 0.904 0.617 CB 1.577 116 residues pruned to eliminate duplicates Z: 29 16.425 2.164 0.318 0.395 0.893 0.536 CB 1.362 29 residues pruned to eliminate duplicates Z: 58 36.754 2.267 0.411 0.570 0.930 0.596 CB 1.529 58 residues pruned to eliminate duplicates Z: 61 42.806 2.311 0.422 0.629 0.883 0.567 CB 1.687 61 residues pruned to eliminate duplicates Z: 20 15.271 2.194 0.338 0.399 0.895 0.368 CB 1.485 20 residues pruned to eliminate duplicates Z: 33 39.732 2.370 0.542 0.684 0.969 0.688 CB 1.675 33 residues pruned to eliminate duplicates Z: 97 49.350 2.334 0.448 0.578 0.906 0.521 CB 1.525 97 residues pruned to eliminate duplicates Z: 30 38.209 2.470 0.335 0.734 0.966 0.448 CB 1.807 30 residues pruned to eliminate duplicates Z: 26 25.374 2.158 0.357 0.667 0.920 0.640 CB 1.614 26 residues pruned to eliminate duplicates Z: 101 52.495 2.318 0.400 0.568 0.940 0.650 CB 1.611 101 residues pruned to eliminate duplicates Z: 22 39.524 2.246 0.633 0.925 0.952 0.619 CB 1.732 22 residues pruned to eliminate duplicates Z: 30 38.470 2.467 0.417 0.744 0.931 0.690 CB 1.765 30 residues pruned to eliminate duplicates Z: 20 41.624 2.408 0.481 0.882 1.000 0.684 CB 1.939 20 residues pruned to eliminate duplicates Z: 54 43.292 2.336 0.380 0.676 0.943 0.585 CB 1.664 54 residues pruned to eliminate duplicates Z: 83 50.108 2.349 0.509 0.565 0.890 0.585 CB 1.646 83 residues pruned to eliminate duplicates Z: 54 46.302 2.338 0.469 0.685 0.943 0.660 CB 1.656 54 residues pruned to eliminate duplicates Z: 51 42.205 2.343 0.369 0.688 0.940 0.560 CB 1.666 51 residues pruned to eliminate duplicates Z: 53 45.928 2.385 0.418 0.691 0.923 0.692 CB 1.713 53 residues pruned to eliminate duplicates Z: 36 36.041 2.340 0.495 0.701 0.886 0.571 CB 1.636 36 residues pruned to eliminate duplicates Z: 86 51.251 2.366 0.444 0.573 0.953 0.529 CB 1.591 86 residues pruned to eliminate duplicates Z: 30 38.593 2.428 0.473 0.718 0.931 0.517 CB 1.766 30 residues pruned to eliminate duplicates Z: 31 36.363 2.418 0.471 0.705 0.900 0.533 CB 1.721 31 residues pruned to eliminate duplicates Z: 32 38.590 2.454 0.475 0.668 0.903 0.516 CB 1.816 32 residues pruned to eliminate duplicates Z: 88 49.254 2.341 0.462 0.555 0.920 0.517 CB 1.590 88 residues pruned to eliminate duplicates Z: 86 49.306 2.353 0.480 0.571 0.906 0.541 CB 1.582 86 residues pruned to eliminate duplicates Z: 32 38.912 2.403 0.570 0.692 0.935 0.516 CB 1.661 32 residues pruned to eliminate duplicates Z: 89 50.254 2.328 0.458 0.564 0.943 0.545 CB 1.572 89 residues pruned to eliminate duplicates Z: 59 55.227 2.395 0.626 0.672 0.948 0.638 CB 1.675 59 residues pruned to eliminate duplicates Z: 39 33.059 2.285 0.577 0.577 0.842 0.421 CB 1.641 39 residues pruned to eliminate duplicates Z: 14 10.044 2.186 0.431 0.354 0.846 0.462 CB 1.232 14 residues pruned to eliminate duplicates Z: 88 50.945 2.346 0.468 0.578 0.920 0.632 CB 1.600 88 residues pruned to eliminate duplicates Z: 93 46.008 2.299 0.409 0.548 0.902 0.522 CB 1.566 93 residues pruned to eliminate duplicates Z: 46 47.479 2.339 0.688 0.652 0.933 0.489 CB 1.666 46 residues pruned to eliminate duplicates Z: 86 46.429 2.337 0.455 0.556 0.882 0.518 CB 1.589 86 residues pruned to eliminate duplicates Z: 33 38.287 2.376 0.615 0.658 0.875 0.500 CB 1.741 33 residues pruned to eliminate duplicates Z: 89 49.681 2.321 0.461 0.558 0.932 0.557 CB 1.584 89 residues pruned to eliminate duplicates Z: 183 68.907 2.332 0.462 0.521 0.907 0.549 CB 1.618 183 residues pruned to eliminate duplicates Z: 54 45.058 2.342 0.532 0.652 0.925 0.528 CB 1.620 54 residues pruned to eliminate duplicates Z: 89 49.066 2.338 0.452 0.553 0.932 0.534 CB 1.571 89 residues pruned to eliminate duplicates Z: 86 48.824 2.355 0.410 0.566 0.941 0.482 CB 1.589 86 residues pruned to eliminate duplicates Z: 84 48.706 2.362 0.428 0.562 0.916 0.458 CB 1.631 84 residues pruned to eliminate duplicates Z: 33 27.936 2.261 0.374 0.546 0.969 0.562 CB 1.570 33 residues pruned to eliminate duplicates Z: 54 47.606 2.358 0.513 0.668 0.962 0.547 CB 1.631 54 residues pruned to eliminate duplicates Z: 61 44.789 2.352 0.530 0.544 0.917 0.567 CB 1.679 61 residues pruned to eliminate duplicates Z: 81 43.853 2.308 0.529 0.528 0.838 0.500 CB 1.615 81 residues pruned to eliminate duplicates Z: 55 48.432 2.340 0.602 0.657 0.944 0.537 CB 1.609 55 residues pruned to eliminate duplicates Z: 88 50.409 2.341 0.484 0.559 0.920 0.517 CB 1.598 88 residues pruned to eliminate duplicates Z: 86 47.746 2.353 0.433 0.576 0.894 0.529 CB 1.598 86 residues pruned to eliminate duplicates Z: 88 53.206 2.330 0.566 0.559 0.920 0.471 CB 1.605 88 residues pruned to eliminate duplicates Z: 54 48.083 2.366 0.532 0.663 0.943 0.509 CB 1.661 54 residues pruned to eliminate duplicates Z: 114 49.607 2.292 0.470 0.534 0.876 0.478 CB 1.529 114 residues pruned to eliminate duplicates Z: 85 52.523 2.360 0.560 0.593 0.905 0.464 CB 1.574 85 residues pruned to eliminate duplicates Z: 54 48.342 2.355 0.573 0.664 0.943 0.453 CB 1.631 54 residues pruned to eliminate duplicates Z: 79 47.124 2.356 0.517 0.542 0.885 0.526 CB 1.621 79 residues pruned to eliminate duplicates Z: 52 44.255 2.337 0.549 0.667 0.902 0.510 CB 1.627 52 residues pruned to eliminate duplicates Z: 87 46.946 2.333 0.530 0.542 0.849 0.500 CB 1.603 87 residues pruned to eliminate duplicates Z: 85 55.252 2.381 0.593 0.568 0.917 0.524 CB 1.623 85 residues pruned to eliminate duplicates Z: 74 52.672 2.359 0.547 0.616 0.945 0.466 CB 1.602 74 residues pruned to eliminate duplicates Z: 79 45.991 2.313 0.540 0.542 0.897 0.449 CB 1.563 79 residues pruned to eliminate duplicates Z: 45 35.962 2.288 0.500 0.533 0.977 0.500 CB 1.563 45 residues pruned to eliminate duplicates Z: 86 50.583 2.363 0.558 0.552 0.882 0.518 CB 1.605 86 residues pruned to eliminate duplicates Z: 44 38.364 2.253 0.653 0.562 0.930 0.349 CB 1.590 44 residues pruned to eliminate duplicates Z: 89 50.711 2.336 0.530 0.545 0.909 0.545 CB 1.591 89 residues pruned to eliminate duplicates Z: 33 24.200 2.340 0.398 0.432 0.906 0.594 CB 1.548 33 residues pruned to eliminate duplicates Z: 93 45.697 2.279 0.517 0.531 0.880 0.457 CB 1.518 93 residues pruned to eliminate duplicates Z: 106 50.449 2.250 0.417 0.579 0.933 0.571 CB 1.533 106 residues pruned to eliminate duplicates Z: 86 51.965 2.360 0.585 0.551 0.906 0.494 CB 1.583 86 residues pruned to eliminate duplicates Z: 88 50.170 2.334 0.518 0.558 0.920 0.506 CB 1.560 88 residues pruned to eliminate duplicates Z: 88 54.308 2.330 0.613 0.574 0.943 0.552 CB 1.530 88 residues pruned to eliminate duplicates Z: 103 47.708 2.273 0.433 0.570 0.902 0.480 CB 1.503 103 residues pruned to eliminate duplicates Z: 88 51.934 2.342 0.540 0.568 0.920 0.506 CB 1.573 88 residues pruned to eliminate duplicates Z: 86 53.969 2.364 0.519 0.575 0.941 0.612 CB 1.611 86 residues pruned to eliminate duplicates Z: 47 30.353 2.297 0.519 0.496 0.891 0.565 CB 1.444 47 residues pruned to eliminate duplicates Z: 88 50.335 2.315 0.547 0.547 0.908 0.448 CB 1.585 88 residues pruned to eliminate duplicates Z: 84 56.345 2.371 0.591 0.597 0.904 0.542 CB 1.654 84 residues pruned to eliminate duplicates Z: 87 52.862 2.328 0.579 0.572 0.930 0.605 CB 1.556 87 residues pruned to eliminate duplicates Z: 91 52.052 2.309 0.614 0.547 0.911 0.489 CB 1.543 91 residues pruned to eliminate duplicates Z: 70 38.960 2.294 0.501 0.458 0.913 0.449 CB 1.557 70 residues pruned to eliminate duplicates Z: 89 54.463 2.340 0.546 0.577 0.955 0.534 CB 1.561 89 residues pruned to eliminate duplicates Z: 77 52.409 2.348 0.645 0.562 0.921 0.474 CB 1.592 77 residues pruned to eliminate duplicates Z: 100 47.256 2.269 0.458 0.542 0.899 0.525 CB 1.531 100 residues pruned to eliminate duplicates Z: 91 49.427 2.325 0.529 0.564 0.889 0.456 CB 1.550 91 residues pruned to eliminate duplicates Z: 87 55.552 2.345 0.609 0.585 0.942 0.570 CB 1.553 103 residues pruned to eliminate duplicates Z: 6 5.231 1.525 0.292 0.629 1.000 0.600 CA 1.052 Z: 16 12.116 2.043 -0.088 0.715 1.000 0.733 CB 1.382 6 residues pruned to eliminate duplicates Z: 13 12.010 1.852 -0.018 0.893 1.000 0.750 CA 1.369 12 residues pruned to eliminate duplicates Z: 12 12.491 1.979 0.009 0.869 1.000 0.818 CB 1.377 13 residues pruned to eliminate duplicates Z: 12 14.637 2.006 0.118 0.849 1.000 0.818 CB 1.458 12 residues pruned to eliminate duplicates Z: 11 12.473 1.999 0.150 0.862 0.900 0.800 CB 1.400 11 residues pruned to eliminate duplicates Z: 103 50.794 2.293 0.514 0.549 0.892 0.461 CB 1.549 103 residues pruned to eliminate duplicates Z: 12 17.879 2.029 0.289 0.914 1.000 0.909 CB 1.458 12 residues pruned to eliminate duplicates Z: 12 21.748 2.001 0.608 0.884 1.000 0.818 CB 1.473 12 residues pruned to eliminate duplicates Z: 13 16.568 1.872 0.427 0.873 1.000 0.667 CB 1.304 13 residues pruned to eliminate duplicates Z: 102 54.880 2.286 0.534 0.588 0.931 0.515 CB 1.538 102 residues pruned to eliminate duplicates Z: 16 15.477 1.988 0.509 0.675 0.867 0.600 CB 1.309 16 residues pruned to eliminate duplicates Z: 12 18.844 2.043 0.357 0.897 1.000 0.727 CB 1.466 12 residues pruned to eliminate duplicates Z: 56 35.814 2.214 0.519 0.484 0.945 0.618 CB 1.543 56 residues pruned to eliminate duplicates Z: 20 12.374 2.098 0.382 0.409 0.947 0.368 CB 1.137 20 residues pruned to eliminate duplicates Z: 106 41.007 2.147 0.340 0.519 0.895 0.514 CB 1.526 106 residues pruned to eliminate duplicates Z: 61 30.236 2.174 0.268 0.510 0.950 0.450 CB 1.476 61 residues pruned to eliminate duplicates Z: 60 41.444 2.170 0.402 0.651 0.983 0.729 CA 1.567 60 residues pruned to eliminate duplicates Z: 9 7.493 1.964 0.219 0.282 0.875 0.250 CA 1.617 9 residues pruned to eliminate duplicates Z: 61 32.569 2.170 0.440 0.494 0.950 0.467 CB 1.424 61 residues pruned to eliminate duplicates Z: 80 39.582 2.157 0.333 0.590 0.937 0.582 CB 1.517 80 residues pruned to eliminate duplicates Z: 91 50.578 2.236 0.488 0.532 0.944 0.556 CB 1.645 91 residues pruned to eliminate duplicates Z: 61 30.379 2.138 0.260 0.632 0.917 0.500 CB 1.403 61 residues pruned to eliminate duplicates Z: 97 39.699 2.164 0.358 0.561 0.927 0.510 CB 1.401 97 residues pruned to eliminate duplicates Z: 31 31.516 2.219 0.384 0.684 0.967 0.500 CB 1.638 31 residues pruned to eliminate duplicates Z: 84 49.905 2.273 0.529 0.530 0.940 0.506 CB 1.629 84 residues pruned to eliminate duplicates Z: 62 38.360 2.183 0.421 0.642 0.984 0.557 CB 1.409 62 residues pruned to eliminate duplicates Z: 148 60.850 2.222 0.463 0.553 0.946 0.517 CB 1.551 148 residues pruned to eliminate duplicates Z: 74 49.375 2.278 0.462 0.570 0.959 0.466 CB 1.692 74 residues pruned to eliminate duplicates Z: 20 19.984 2.073 0.674 0.802 0.684 0.158 CB 1.482 20 residues pruned to eliminate duplicates Z: 50 28.332 2.116 0.444 0.552 0.918 0.408 CB 1.372 50 residues pruned to eliminate duplicates Z: 52 27.409 2.116 0.556 0.532 0.882 0.451 CB 1.280 52 residues pruned to eliminate duplicates Z: 28 28.514 2.222 0.592 0.643 0.852 0.407 CB 1.593 28 residues pruned to eliminate duplicates Z: 107 50.825 2.202 0.573 0.536 0.906 0.491 CB 1.519 107 residues pruned to eliminate duplicates Z: 63 35.273 2.148 0.365 0.639 0.919 0.548 CB 1.459 63 residues pruned to eliminate duplicates Z: 71 38.125 2.160 0.477 0.609 0.886 0.514 CB 1.453 71 residues pruned to eliminate duplicates Z: 111 57.442 2.235 0.536 0.574 0.964 0.536 CB 1.541 111 residues pruned to eliminate duplicates Z: 75 40.745 2.146 0.443 0.606 0.932 0.568 CB 1.483 75 residues pruned to eliminate duplicates Z: 32 29.522 2.210 0.527 0.630 0.871 0.355 CB 1.596 32 residues pruned to eliminate duplicates Z: 12 12.746 2.188 0.488 0.407 0.818 0.545 CB 1.591 12 residues pruned to eliminate duplicates Z: 26 31.603 2.265 0.723 0.691 0.880 0.440 CB 1.546 26 residues pruned to eliminate duplicates Z: 52 29.789 2.111 0.338 0.567 0.922 0.608 CB 1.503 52 residues pruned to eliminate duplicates Z: 49 31.852 2.150 0.550 0.560 0.896 0.354 CB 1.453 49 residues pruned to eliminate duplicates Z: 83 42.361 2.145 0.435 0.572 0.951 0.549 CB 1.490 83 residues pruned to eliminate duplicates Z: 32 34.812 2.214 0.639 0.649 0.903 0.355 CB 1.660 32 residues pruned to eliminate duplicates Z: 82 42.174 2.182 0.469 0.584 0.889 0.506 CB 1.517 82 residues pruned to eliminate duplicates Z: 74 33.909 2.148 0.363 0.577 0.836 0.493 CB 1.507 74 residues pruned to eliminate duplicates Z: 132 56.552 2.211 0.487 0.553 0.947 0.458 CB 1.509 132 residues pruned to eliminate duplicates Z: 51 34.115 2.177 0.479 0.599 0.900 0.600 CB 1.515 51 residues pruned to eliminate duplicates Z: 27 20.669 2.173 0.340 0.522 0.962 0.615 CB 1.417 27 residues pruned to eliminate duplicates Z: 148 59.030 2.193 0.503 0.557 0.946 0.537 CB 1.478 148 residues pruned to eliminate duplicates Z: 48 34.710 2.178 0.580 0.648 0.894 0.447 CB 1.433 48 residues pruned to eliminate duplicates Z: 78 36.120 2.140 0.409 0.604 0.870 0.532 CB 1.421 78 residues pruned to eliminate duplicates Z: 60 29.947 2.138 0.386 0.510 0.898 0.559 CB 1.450 60 residues pruned to eliminate duplicates Z: 58 32.763 2.140 0.415 0.541 0.947 0.579 CB 1.453 58 residues pruned to eliminate duplicates Z: 56 28.789 2.098 0.390 0.528 0.927 0.618 CB 1.397 56 residues pruned to eliminate duplicates Z: 112 43.386 2.173 0.373 0.540 0.919 0.505 CB 1.444 112 residues pruned to eliminate duplicates Z: 153 56.865 2.165 0.532 0.564 0.882 0.467 CB 1.482 159 residues pruned to eliminate duplicates Z: 14 13.855 2.082 0.065 0.910 1.000 0.923 CB 1.230 14 residues pruned to eliminate duplicates Z: 59 33.360 2.142 0.402 0.532 0.966 0.534 CB 1.464 59 residues pruned to eliminate duplicates Z: 86 49.328 2.184 0.576 0.575 0.906 0.612 CB 1.597 86 residues pruned to eliminate duplicates Z: 71 40.203 2.182 0.518 0.571 0.929 0.486 CB 1.459 71 residues pruned to eliminate duplicates Z: 89 37.512 2.154 0.433 0.539 0.898 0.443 CB 1.390 89 residues pruned to eliminate duplicates Z: 57 31.941 2.176 0.379 0.526 0.946 0.482 CB 1.464 57 residues pruned to eliminate duplicates Z: 58 29.010 2.142 0.352 0.518 0.912 0.509 CB 1.428 58 residues pruned to eliminate duplicates Z: 63 37.320 2.142 0.528 0.585 0.919 0.387 CB 1.451 63 residues pruned to eliminate duplicates Z: 133 54.952 2.201 0.470 0.543 0.939 0.538 CB 1.510 133 residues pruned to eliminate duplicates Z: 76 41.881 2.180 0.423 0.648 0.933 0.507 CB 1.455 76 residues pruned to eliminate duplicates Z: 97 39.036 2.142 0.396 0.515 0.906 0.448 CB 1.448 97 residues pruned to eliminate duplicates Z: 60 28.751 2.106 0.353 0.508 0.915 0.576 CB 1.424 60 residues pruned to eliminate duplicates Z: 111 56.545 2.256 0.442 0.564 0.973 0.536 CB 1.602 111 residues pruned to eliminate duplicates Z: 57 28.053 2.157 0.303 0.525 0.911 0.607 CB 1.428 57 residues pruned to eliminate duplicates Z: 23 14.555 1.897 0.685 0.506 0.727 0.273 CB 1.326 23 residues pruned to eliminate duplicates Z: 63 33.584 2.105 0.521 0.560 0.903 0.468 CB 1.391 63 residues pruned to eliminate duplicates Z: 58 30.733 2.144 0.324 0.544 0.947 0.544 CB 1.451 58 residues pruned to eliminate duplicates Z: 68 36.107 2.130 0.433 0.551 0.955 0.567 CB 1.440 68 residues pruned to eliminate duplicates Z: 59 31.397 2.128 0.414 0.522 0.966 0.552 CB 1.389 59 residues pruned to eliminate duplicates Z: 27 20.382 2.110 0.345 0.494 0.923 0.462 CB 1.535 27 residues pruned to eliminate duplicates Z: 65 36.738 2.161 0.583 0.569 0.875 0.422 CB 1.435 65 residues pruned to eliminate duplicates Z: 69 36.513 2.155 0.491 0.577 0.882 0.529 CB 1.450 69 residues pruned to eliminate duplicates Z: 60 32.647 2.142 0.407 0.520 0.932 0.593 CB 1.483 60 residues pruned to eliminate duplicates Z: 82 44.185 2.165 0.512 0.569 0.963 0.494 CB 1.458 82 residues pruned to eliminate duplicates Z: 155 56.312 2.199 0.494 0.535 0.903 0.487 CB 1.479 155 residues pruned to eliminate duplicates Z: 150 60.196 2.213 0.511 0.557 0.906 0.497 CB 1.540 150 residues pruned to eliminate duplicates Z: 16 10.077 2.066 0.229 0.471 0.800 0.467 CB 1.319 16 residues pruned to eliminate duplicates Z: 58 33.247 2.162 0.438 0.541 0.965 0.544 CB 1.409 58 residues pruned to eliminate duplicates Z: 58 31.570 2.145 0.435 0.517 0.947 0.596 CB 1.409 58 residues pruned to eliminate duplicates Z: 129 56.497 2.219 0.480 0.532 0.945 0.539 CB 1.559 129 residues pruned to eliminate duplicates Z: 58 30.496 2.126 0.360 0.547 0.947 0.614 CB 1.408 58 residues pruned to eliminate duplicates Z: 131 55.511 2.219 0.470 0.544 0.915 0.462 CB 1.562 131 residues pruned to eliminate duplicates Z: 57 33.289 2.164 0.449 0.550 0.929 0.589 CB 1.456 57 residues pruned to eliminate duplicates Z: 60 27.394 2.066 0.295 0.475 0.966 0.627 CB 1.415 60 residues pruned to eliminate duplicates Z: 74 39.914 2.155 0.456 0.581 0.918 0.452 CB 1.502 74 residues pruned to eliminate duplicates Z: 99 34.917 2.049 0.346 0.511 0.888 0.541 CB 1.425 105 residues pruned to eliminate duplicates Z: 78 42.339 2.182 0.477 0.503 0.961 0.584 CB 1.552 78 residues pruned to eliminate duplicates Z: 27 20.308 2.193 0.329 0.408 0.962 0.538 CB 1.566 27 residues pruned to eliminate duplicates Z: 45 22.433 2.084 0.220 0.507 0.909 0.591 CB 1.452 45 residues pruned to eliminate duplicates Z: 84 40.668 2.157 0.411 0.510 0.940 0.518 CB 1.545 84 residues pruned to eliminate duplicates Z: 66 29.986 2.152 0.401 0.513 0.862 0.569 CB 1.414 66 residues pruned to eliminate duplicates Z: 28 14.700 2.167 0.278 0.357 0.778 0.556 CB 1.533 28 residues pruned to eliminate duplicates Z: 28 17.921 2.191 0.349 0.376 0.889 0.519 CB 1.498 28 residues pruned to eliminate duplicates Z: 20 17.479 2.202 0.231 0.464 0.947 0.632 CB 1.619 20 residues pruned to eliminate duplicates Z: 17 23.583 2.340 0.548 0.514 0.938 0.625 CB 1.712 17 residues pruned to eliminate duplicates Z: 101 45.007 2.166 0.394 0.568 0.920 0.530 CB 1.517 101 residues pruned to eliminate duplicates Z: 103 43.196 2.141 0.489 0.532 0.892 0.539 CB 1.458 103 residues pruned to eliminate duplicates Z: 187 61.336 2.171 0.463 0.530 0.930 0.473 CB 1.478 187 residues pruned to eliminate duplicates Z: 116 45.876 2.092 0.506 0.555 0.904 0.478 CB 1.423 119 residues pruned to eliminate duplicates Z: 8 16.201 2.296 0.282 0.725 0.857 0.571 CA 1.981 8 residues pruned to eliminate duplicates Z: 40 25.244 2.107 0.290 0.561 0.923 0.538 CB 1.520 40 residues pruned to eliminate duplicates Z: 9 10.176 1.844 0.346 0.759 0.875 0.375 CA 1.316 9 residues pruned to eliminate duplicates Z: 112 48.840 2.168 0.421 0.588 0.919 0.532 CB 1.506 112 residues pruned to eliminate duplicates Z: 8 17.907 1.952 0.745 0.829 1.000 0.429 CA 1.496 8 residues pruned to eliminate duplicates Z: 41 31.562 2.057 0.454 0.635 0.975 0.675 CB 1.509 37 residues pruned to eliminate duplicates Z: 9 11.776 1.952 0.337 0.700 1.000 0.625 CA 1.330 9 residues pruned to eliminate duplicates Z: 100 41.607 2.087 0.405 0.539 0.919 0.525 CB 1.493 104 residues pruned to eliminate duplicates Z: 12 15.436 1.958 0.157 0.831 1.000 0.727 CA 1.544 12 residues pruned to eliminate duplicates Z: 47 26.425 2.096 0.387 0.520 0.935 0.565 CB 1.406 47 residues pruned to eliminate duplicates Z: 42 25.117 2.050 0.341 0.536 0.902 0.415 CB 1.526 42 residues pruned to eliminate duplicates Z: 46 27.124 2.100 0.398 0.538 0.911 0.578 CB 1.455 46 residues pruned to eliminate duplicates Z: 20 15.450 1.977 0.194 0.681 0.947 0.684 CB 1.342 20 residues pruned to eliminate duplicates Z: 30 25.539 2.041 0.322 0.659 0.966 0.690 CB 1.571 30 residues pruned to eliminate duplicates Z: 18 17.306 2.008 0.204 0.748 1.000 0.824 CB 1.392 18 residues pruned to eliminate duplicates Z: 98 40.818 2.128 0.358 0.535 0.938 0.567 CB 1.476 98 residues pruned to eliminate duplicates Z: 36 30.392 2.193 0.394 0.610 0.943 0.629 CB 1.605 36 residues pruned to eliminate duplicates Z: 166 57.090 2.161 0.446 0.522 0.915 0.485 CB 1.520 166 residues pruned to eliminate duplicates Z: 38 26.070 2.123 0.272 0.570 0.973 0.595 CB 1.524 38 residues pruned to eliminate duplicates Z: 69 35.853 2.127 0.411 0.516 0.956 0.544 CB 1.492 69 residues pruned to eliminate duplicates Z: 39 28.990 2.142 0.404 0.548 0.974 0.553 CB 1.533 41 residues pruned to eliminate duplicates Z: 23 16.462 1.810 0.313 0.805 1.000 0.864 CB 1.132 17 residues pruned to eliminate duplicates Z: 10 9.420 1.479 0.506 0.884 1.000 0.778 CB 1.019 10 residues pruned to eliminate duplicates Z: 98 43.492 2.124 0.408 0.547 0.948 0.639 CB 1.487 98 residues pruned to eliminate duplicates Z: 84 46.169 2.173 0.448 0.527 0.964 0.578 CB 1.627 51 residues pruned to eliminate duplicates Z: 6 6.276 1.815 0.499 0.463 1.000 0.400 CB 1.071 6 residues pruned to eliminate duplicates Z: 72 38.842 2.205 0.365 0.551 0.958 0.676 CB 1.520 72 residues pruned to eliminate duplicates Z: 69 39.803 2.251 0.346 0.557 0.956 0.588 CB 1.578 69 residues pruned to eliminate duplicates Z: 38 33.652 2.295 0.368 0.554 0.973 0.541 CA 1.718 38 residues pruned to eliminate duplicates Z: 54 38.182 2.266 0.449 0.531 0.962 0.679 CB 1.609 54 residues pruned to eliminate duplicates Z: 37 35.997 2.333 0.467 0.544 1.000 0.667 CA 1.679 37 residues pruned to eliminate duplicates Z: 68 44.562 2.307 0.492 0.545 0.955 0.507 CB 1.585 68 residues pruned to eliminate duplicates Z: 67 43.327 2.291 0.510 0.527 0.939 0.545 CB 1.597 67 residues pruned to eliminate duplicates Z: 46 33.827 2.365 0.303 0.502 0.933 0.556 CB 1.750 37 residues pruned to eliminate duplicates Z: 6 9.164 1.985 0.336 0.513 1.000 0.400 CA 1.526 Z: 18 20.344 2.261 0.297 0.732 0.882 0.529 CA 1.547 24 residues pruned to eliminate duplicates Z: 50 37.101 2.311 0.404 0.517 1.000 0.612 CB 1.607 46 residues pruned to eliminate duplicates Z: 17 18.923 2.114 0.440 0.767 0.938 0.562 CA 1.309 17 residues pruned to eliminate duplicates Z: 30 37.415 2.387 0.469 0.570 1.000 0.655 CA 1.851 30 residues pruned to eliminate duplicates Z: 47 45.310 2.252 0.719 0.613 0.935 0.696 CB 1.658 47 residues pruned to eliminate duplicates Z: 38 32.512 2.289 0.434 0.519 0.946 0.622 CA 1.689 38 residues pruned to eliminate duplicates Z: 50 39.893 2.223 0.461 0.579 0.959 0.592 CA 1.696 50 residues pruned to eliminate duplicates Z: 50 45.064 2.297 0.567 0.583 0.959 0.571 CB 1.722 50 residues pruned to eliminate duplicates Z: 30 33.053 2.323 0.449 0.604 0.966 0.655 CA 1.711 30 residues pruned to eliminate duplicates Z: 110 54.776 2.223 0.481 0.548 0.963 0.615 CB 1.578 110 residues pruned to eliminate duplicates Z: 57 45.258 2.261 0.572 0.590 0.929 0.679 CB 1.681 57 residues pruned to eliminate duplicates Z: 75 43.881 2.232 0.574 0.500 0.905 0.595 CB 1.603 75 residues pruned to eliminate duplicates Z: 65 45.797 2.291 0.552 0.545 0.953 0.641 CB 1.616 65 residues pruned to eliminate duplicates Z: 70 41.837 2.262 0.437 0.532 0.957 0.493 CB 1.569 70 residues pruned to eliminate duplicates Z: 81 40.773 2.182 0.617 0.478 0.900 0.512 CB 1.467 81 residues pruned to eliminate duplicates Z: 71 46.968 2.275 0.541 0.540 0.971 0.543 CB 1.584 71 residues pruned to eliminate duplicates Z: 61 44.605 2.226 0.673 0.541 0.933 0.683 CB 1.591 61 residues pruned to eliminate duplicates Z: 61 47.997 2.266 0.621 0.568 0.950 0.617 CB 1.662 61 residues pruned to eliminate duplicates Z: 36 38.502 2.368 0.442 0.570 1.000 0.714 CA 1.782 36 residues pruned to eliminate duplicates Z: 39 35.296 2.363 0.391 0.545 0.947 0.553 CA 1.759 39 residues pruned to eliminate duplicates Z: 56 39.123 2.238 0.516 0.468 0.964 0.527 CB 1.667 52 residues pruned to eliminate duplicates Z: 6 3.308 1.584 -0.020 0.331 1.000 0.400 CA 1.147 6 residues pruned to eliminate duplicates Z: 71 45.510 2.255 0.630 0.498 0.943 0.443 CB 1.573 71 residues pruned to eliminate duplicates Z: 65 45.093 2.325 0.654 0.517 0.891 0.531 CB 1.619 65 residues pruned to eliminate duplicates Z: 77 40.971 2.216 0.515 0.496 0.934 0.605 CB 1.504 77 residues pruned to eliminate duplicates Z: 54 37.526 2.264 0.501 0.478 0.962 0.547 CB 1.611 54 residues pruned to eliminate duplicates Z: 54 38.487 2.287 0.532 0.464 0.943 0.566 CB 1.659 54 residues pruned to eliminate duplicates Z: 29 15.239 2.187 0.326 0.332 0.857 0.500 CB 1.393 29 residues pruned to eliminate duplicates Z: 48 41.105 2.319 0.628 0.464 0.957 0.596 CA 1.721 48 residues pruned to eliminate duplicates Z: 70 43.720 2.256 0.576 0.503 0.928 0.565 CB 1.591 70 residues pruned to eliminate duplicates Z: 10 8.695 2.313 0.278 0.270 0.889 0.667 CB 1.433 10 residues pruned to eliminate duplicates Z: 20 14.381 2.111 0.478 0.399 1.000 0.474 CB 1.176 20 residues pruned to eliminate duplicates Z: 13 10.456 2.177 0.391 0.324 1.000 0.583 CB 1.209 13 residues pruned to eliminate duplicates Z: 73 41.188 2.220 0.534 0.511 0.931 0.569 CB 1.514 73 residues pruned to eliminate duplicates Z: 69 44.951 2.259 0.684 0.501 0.912 0.559 CB 1.570 69 residues pruned to eliminate duplicates Z: 56 38.604 2.220 0.544 0.501 0.945 0.564 CB 1.604 55 residues pruned to eliminate duplicates 457 residues left after pruning, divided into chains as follows: A: 6 B: 7 C: 14 D: 234 E: 28 F: 168 CC for partial structure against native data = 30.69 % ------------------------------------------------------------------------------ Global autotracing cycle 6 Phases from autotracing cycle 2 used as input for final density modification = 0.299, Contrast = 0.466, Connect. = 0.747 for dens.mod. cycle 1 = 0.299, Contrast = 0.516, Connect. = 0.760 for dens.mod. cycle 2 = 0.299, Contrast = 0.664, Connect. = 0.802 for dens.mod. cycle 3 = 0.299, Contrast = 0.678, Connect. = 0.803 for dens.mod. cycle 4 = 0.299, Contrast = 0.693, Connect. = 0.804 for dens.mod. cycle 5 = 0.299, Contrast = 0.702, Connect. = 0.806 for dens.mod. cycle 6 = 0.299, Contrast = 0.711, Connect. = 0.807 for dens.mod. cycle 7 = 0.299, Contrast = 0.717, Connect. = 0.808 for dens.mod. cycle 8 = 0.299, Contrast = 0.723, Connect. = 0.809 for dens.mod. cycle 9 = 0.299, Contrast = 0.726, Connect. = 0.810 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.66 - 2.91 - 2.54 - 2.31 - 2.15 - 2.02 - 1.92 - 1.84 - 1.77 - 1.71 0.591 0.600 0.625 0.631 0.617 0.589 0.547 0.484 0.443 0.413 0.739 0.736 0.765 0.767 0.746 0.723 0.676 0.601 0.538 0.493 N 6000 6032 6109 6015 5828 6221 6037 5771 5993 5783 Estimated mean FOM = 0.555 Pseudo-free CC = 58.34 % Best trace (cycle 2 with CC 31.95%) was saved as ./2i5i-1.7-parrot-noncs/2i5i-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.5 - Setup, data input and phasing 18.3 - FFTs and peak-searches 26.5 - Sphere of influence 0.9 - Rest of density modification 0.0 - Alpha-helix search 2099.3 - Tripeptide search 14834.4 - Chain tracing 0.0 - NCS analysis 56.8 - B-value refinement for trace 0.4 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:31:01 Total time: 17037.96 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 285.79 Used memory is bytes: 14130248