++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:33:25 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.ins Phases from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi Native data from ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.hkl Listing output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.lst Phases output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phs Poly-Ala trace output to ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 33222 Reflections read from file ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.phi 33222 Reflections read from file ./2pke-1.8-parrot-noncs/2pke-1.8-parrot-noncs.hkl 33222 Unique data, highest resolution = 1.833 Angstroms Anisotropic scaling: intensities multiplied by -0.000320h^2 +0.000046k^2 +0.000002l^2 +0.000000kl -0.000314hl +0.000000hk 1040 Reflections with d > 2.033 and 0 in range 2.033 > d > 1.833 added Density sharpening factor set to 1.00 Fourier grid = 64 x 256 x 45 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.651 ** -f missing ?? ** = 0.264, Contrast = 0.071, Connect. = 0.538 for dens.mod. cycle 1 = 0.284, Contrast = 0.194, Connect. = 0.552 for dens.mod. cycle 2 = 0.299, Contrast = 0.346, Connect. = 0.649 for dens.mod. cycle 3 = 0.300, Contrast = 0.439, Connect. = 0.695 for dens.mod. cycle 4 = 0.300, Contrast = 0.498, Connect. = 0.723 for dens.mod. cycle 5 = 0.300, Contrast = 0.533, Connect. = 0.738 for dens.mod. cycle 6 = 0.300, Contrast = 0.554, Connect. = 0.748 for dens.mod. cycle 7 = 0.300, Contrast = 0.567, Connect. = 0.755 for dens.mod. cycle 8 = 0.300, Contrast = 0.577, Connect. = 0.760 for dens.mod. cycle 9 = 0.300, Contrast = 0.583, Connect. = 0.763 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2266 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 486 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 12.706 1.805 0.493 0.759 1.000 0.500 C 1.324 B: 12 23.357 2.130 0.887 0.841 1.000 0.727 CB 1.307 C: 81 38.780 1.942 0.835 0.574 0.913 0.600 CB 1.242 D: 13 20.621 1.945 0.749 0.854 0.917 0.833 CB 1.409 13 residues pruned to eliminate duplicates E: 11 16.063 2.065 0.383 0.919 1.000 1.000 CA 1.253 11 residues pruned to eliminate duplicates F: 8 12.752 2.022 0.333 0.817 1.000 0.571 CA 1.358 8 residues pruned to eliminate duplicates G: 11 20.501 2.054 0.719 0.912 1.000 0.700 CB 1.300 11 residues pruned to eliminate duplicates H: 7 10.297 2.167 -0.004 0.787 1.000 0.667 CB 1.512 7 residues pruned to eliminate duplicates I: 73 32.917 1.992 0.678 0.526 0.875 0.583 CB 1.293 55 residues pruned to eliminate duplicates J: 61 34.455 1.952 0.745 0.538 0.950 0.700 CB 1.324 61 residues pruned to eliminate duplicates K: 12 18.025 1.985 0.761 0.895 1.000 0.818 CA 1.115 12 residues pruned to eliminate duplicates L: 14 20.552 2.061 0.539 0.923 1.000 0.923 CB 1.263 8 residues pruned to eliminate duplicates M: 13 16.363 1.720 0.921 0.883 1.000 0.833 CB 1.034 N: 6 3.259 1.612 0.793 0.673 0.800 0.600 CB 0.537 O: 17 24.992 1.902 0.982 0.869 0.938 0.688 CB 1.291 P: 6 16.159 1.927 1.381 0.549 1.000 0.600 CA 1.501 6 residues pruned to eliminate duplicates Q: 7 11.135 1.705 0.811 0.615 1.000 0.667 CB 1.320 7 residues pruned to eliminate duplicates R: 43 28.040 1.935 0.896 0.483 0.976 0.476 CB 1.229 43 residues pruned to eliminate duplicates S: 17 17.760 1.772 0.644 0.912 1.000 0.812 CA 1.079 T: 9 5.923 1.852 1.027 0.466 0.625 0.500 CB 0.924 U: 12 15.920 1.958 0.613 0.833 0.818 0.818 CB 1.394 12 residues pruned to eliminate duplicates V: 14 17.658 1.898 0.697 0.852 0.923 0.769 CA 1.218 14 residues pruned to eliminate duplicates W: 26 16.621 1.928 0.593 0.488 0.880 0.640 CB 1.244 10 residues pruned to eliminate duplicates X: 17 18.116 1.798 0.574 0.892 1.000 0.812 CA 1.150 17 residues pruned to eliminate duplicates Y: 6 9.937 1.907 1.350 0.690 1.000 0.800 CB 0.834 Z: 7 10.829 2.064 0.430 0.887 1.000 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 14 17.490 1.728 0.860 0.902 0.923 0.769 CB 1.167 Z: 11 12.926 1.811 0.455 0.868 1.000 0.800 CB 1.134 Z: 33 16.915 1.822 0.693 0.521 0.875 0.594 CB 1.085 8 residues pruned to eliminate duplicates Z: 9 14.195 1.802 1.254 0.699 1.000 0.875 CB 1.031 Z: 36 20.564 1.866 0.628 0.440 0.943 0.600 CB 1.291 36 residues pruned to eliminate duplicates Z: 8 7.502 1.723 0.436 0.544 0.857 0.429 CB 1.281 8 residues pruned to eliminate duplicates Z: 13 15.648 1.613 0.625 0.879 0.917 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 18 21.579 1.864 0.803 0.879 0.941 0.706 CB 1.200 17 residues pruned to eliminate duplicates Z: 19 18.793 1.957 0.479 0.861 1.000 0.833 CA 1.125 19 residues pruned to eliminate duplicates Z: 12 20.924 2.056 0.692 0.905 1.000 1.000 CA 1.291 12 residues pruned to eliminate duplicates Z: 29 23.614 1.960 0.776 0.519 0.964 0.643 CB 1.305 29 residues pruned to eliminate duplicates Z: 18 18.006 1.703 0.614 0.910 0.941 0.765 CB 1.197 14 residues pruned to eliminate duplicates Z: 11 8.512 1.836 0.349 0.522 0.900 0.500 CB 1.181 11 residues pruned to eliminate duplicates Z: 12 22.092 2.027 0.795 0.905 1.000 1.000 CA 1.304 12 residues pruned to eliminate duplicates Z: 12 11.634 1.790 0.436 0.843 1.000 0.545 CB 1.016 12 residues pruned to eliminate duplicates Z: 15 13.059 1.805 0.524 0.893 0.857 0.643 CB 1.063 Z: 10 9.757 1.926 0.319 0.901 1.000 1.000 CB 0.914 10 residues pruned to eliminate duplicates Z: 19 24.238 2.008 0.747 0.917 1.000 0.889 CA 1.149 18 residues pruned to eliminate duplicates Z: 7 11.902 1.808 1.523 0.551 1.000 0.667 CB 1.013 6 residues pruned to eliminate duplicates Z: 12 17.264 1.917 0.504 0.892 0.909 0.818 CB 1.427 12 residues pruned to eliminate duplicates Z: 8 8.851 1.757 0.123 0.787 1.000 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 6 5.593 1.643 0.869 0.417 0.800 0.600 CB 1.110 Z: 9 10.519 1.918 0.176 0.826 1.000 0.625 CB 1.244 9 residues pruned to eliminate duplicates Z: 18 26.710 1.882 0.798 0.884 1.000 0.706 CB 1.383 19 residues pruned to eliminate duplicates Z: 20 11.395 1.765 0.411 0.846 0.895 0.579 CB 0.871 Z: 18 20.458 2.052 0.454 0.889 1.000 0.824 CB 1.197 18 residues pruned to eliminate duplicates Z: 17 20.115 1.789 0.662 0.890 1.000 0.875 CA 1.217 17 residues pruned to eliminate duplicates Z: 25 27.981 2.023 0.742 0.728 1.000 0.708 CB 1.320 19 residues pruned to eliminate duplicates Z: 19 21.914 1.817 0.832 0.825 0.944 0.722 CB 1.240 18 residues pruned to eliminate duplicates Z: 18 24.491 1.815 0.749 0.887 1.000 0.941 CB 1.349 18 residues pruned to eliminate duplicates Z: 18 22.255 1.808 0.953 0.867 0.941 0.647 CB 1.188 18 residues pruned to eliminate duplicates Z: 17 5.661 1.836 0.323 0.171 0.750 0.312 CB 1.158 Z: 9 7.798 1.661 0.171 0.781 1.000 0.875 CB 1.106 Z: 11 10.343 1.898 0.491 0.575 1.000 0.600 CB 1.075 10 residues pruned to eliminate duplicates Z: 18 14.226 1.740 0.192 0.926 1.000 1.000 CB 1.167 9 residues pruned to eliminate duplicates Z: 19 25.224 1.959 0.760 0.924 1.000 0.833 CA 1.211 19 residues pruned to eliminate duplicates Z: 12 19.691 1.827 0.662 0.928 1.000 0.727 CA 1.369 Z: 16 28.428 1.963 0.929 0.909 1.000 0.867 CB 1.376 16 residues pruned to eliminate duplicates Z: 16 9.542 1.933 0.498 0.328 0.933 0.667 CB 1.101 17 residues pruned to eliminate duplicates Z: 77 45.662 1.965 0.926 0.606 0.947 0.671 CB 1.322 83 residues pruned to eliminate duplicates Z: 18 13.146 1.776 0.505 0.495 0.941 0.647 CB 1.274 18 residues pruned to eliminate duplicates Z: 16 16.852 1.832 0.389 0.900 1.000 0.933 CB 1.221 15 residues pruned to eliminate duplicates Z: 23 21.379 1.861 0.644 0.755 0.955 0.818 CA 1.244 24 residues pruned to eliminate duplicates Z: 13 15.058 1.763 0.741 0.825 1.000 0.583 CB 1.069 13 residues pruned to eliminate duplicates Z: 14 15.453 1.786 0.898 0.852 0.846 0.538 CB 1.106 14 residues pruned to eliminate duplicates Z: 16 16.649 1.855 0.894 0.525 0.933 0.533 CB 1.278 16 residues pruned to eliminate duplicates Z: 13 19.899 1.982 0.687 0.899 1.000 0.750 CB 1.229 13 residues pruned to eliminate duplicates Z: 17 20.752 1.793 0.710 0.878 1.000 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 10 14.404 2.111 0.339 0.897 1.000 1.000 CA 1.217 10 residues pruned to eliminate duplicates Z: 11 14.329 1.938 0.940 0.857 0.800 0.800 CB 1.110 11 residues pruned to eliminate duplicates Z: 20 15.249 1.791 0.597 0.888 0.947 0.526 CB 0.930 20 residues pruned to eliminate duplicates Z: 16 17.561 1.830 0.611 0.868 1.000 0.600 CA 1.124 16 residues pruned to eliminate duplicates Z: 32 18.866 1.863 0.531 0.540 0.935 0.710 CB 1.221 32 residues pruned to eliminate duplicates Z: 6 6.135 1.725 0.535 0.625 0.800 0.400 CA 1.151 6 residues pruned to eliminate duplicates Z: 12 13.663 1.831 0.670 0.880 0.818 0.818 CB 1.193 12 residues pruned to eliminate duplicates Z: 12 20.502 1.831 0.746 0.923 1.000 1.000 CA 1.358 12 residues pruned to eliminate duplicates Z: 14 16.200 1.947 0.502 0.879 1.000 0.692 CB 1.114 14 residues pruned to eliminate duplicates Z: 12 22.846 1.829 0.951 0.917 1.000 0.636 CA 1.363 12 residues pruned to eliminate duplicates Z: 13 23.242 1.900 0.961 0.898 0.917 0.583 CB 1.405 13 residues pruned to eliminate duplicates Z: 18 20.408 1.782 0.942 0.916 0.941 0.588 CB 1.073 18 residues pruned to eliminate duplicates Z: 17 11.773 1.693 0.326 0.850 0.938 0.750 CA 1.035 17 residues pruned to eliminate duplicates Z: 13 12.900 1.741 0.629 0.838 0.917 0.750 CB 1.071 13 residues pruned to eliminate duplicates Z: 19 23.002 2.013 0.711 0.890 1.000 0.722 CB 1.133 19 residues pruned to eliminate duplicates Z: 17 22.786 1.998 0.761 0.909 1.000 0.688 CB 1.149 17 residues pruned to eliminate duplicates Z: 6 13.341 2.063 0.572 0.838 1.000 0.800 CB 1.375 7 residues pruned to eliminate duplicates Z: 9 9.907 2.032 0.478 0.470 0.875 0.500 CB 1.374 9 residues pruned to eliminate duplicates Z: 12 11.573 1.727 0.660 0.928 0.818 0.182 CB 1.042 10 residues pruned to eliminate duplicates Z: 12 14.176 1.770 0.970 0.862 0.909 0.273 CB 0.990 12 residues pruned to eliminate duplicates Z: 9 9.344 1.894 0.487 0.437 0.875 0.625 CA 1.430 9 residues pruned to eliminate duplicates Z: 11 12.409 1.853 0.469 0.937 1.000 0.900 CB 1.003 11 residues pruned to eliminate duplicates Z: 17 26.621 1.887 1.225 0.879 0.938 0.688 CB 1.226 17 residues pruned to eliminate duplicates Z: 6 3.924 1.743 0.809 0.262 0.600 0.600 CB 1.218 6 residues pruned to eliminate duplicates Z: 11 23.525 1.895 0.913 0.927 1.000 0.700 CA 1.438 11 residues pruned to eliminate duplicates Z: 18 15.248 1.754 0.394 0.924 0.941 0.765 CB 1.129 18 residues pruned to eliminate duplicates Z: 8 11.976 1.977 0.423 0.740 1.000 0.857 CB 1.297 8 residues pruned to eliminate duplicates Z: 18 22.639 1.861 0.620 0.876 1.000 0.824 CB 1.323 18 residues pruned to eliminate duplicates Z: 19 23.102 1.999 0.962 0.903 0.889 0.611 CB 1.113 18 residues pruned to eliminate duplicates Z: 7 5.769 1.468 0.646 0.370 1.000 0.500 C 1.121 7 residues pruned to eliminate duplicates Z: 20 15.626 1.776 0.904 0.918 0.947 0.684 CB 0.789 20 residues pruned to eliminate duplicates Z: 18 14.000 1.866 0.557 0.930 0.941 0.706 CB 0.869 18 residues pruned to eliminate duplicates Z: 7 5.439 1.538 0.604 0.418 0.833 0.500 CA 1.177 7 residues pruned to eliminate duplicates Z: 9 9.256 1.731 0.298 0.812 1.000 0.625 CB 1.110 8 residues pruned to eliminate duplicates Z: 13 15.555 1.846 0.440 0.867 1.000 0.583 CB 1.236 13 residues pruned to eliminate duplicates Z: 16 19.579 1.831 0.764 0.867 0.933 0.733 CA 1.227 16 residues pruned to eliminate duplicates Z: 35 26.066 2.022 0.851 0.502 0.941 0.529 CB 1.266 44 residues pruned to eliminate duplicates Z: 18 16.130 1.719 0.366 0.915 1.000 0.882 CB 1.178 18 residues pruned to eliminate duplicates Z: 66 30.066 1.791 0.733 0.707 0.908 0.492 CB 1.097 58 residues pruned to eliminate duplicates Z: 13 20.118 1.988 0.599 0.889 0.917 0.833 CB 1.434 13 residues pruned to eliminate duplicates Z: 12 11.273 1.731 0.392 0.831 0.909 0.727 CB 1.166 12 residues pruned to eliminate duplicates Z: 46 33.285 1.913 0.897 0.615 0.933 0.667 CB 1.313 46 residues pruned to eliminate duplicates Z: 19 18.167 1.827 0.674 0.842 0.833 0.722 CB 1.252 19 residues pruned to eliminate duplicates Z: 13 21.266 1.927 1.027 0.905 1.000 0.333 CB 1.119 13 residues pruned to eliminate duplicates Z: 15 24.837 1.762 1.344 0.935 0.929 0.143 CB 1.206 18 residues pruned to eliminate duplicates Z: 10 7.637 1.784 0.315 0.553 1.000 0.667 CB 1.031 10 residues pruned to eliminate duplicates Z: 13 10.936 1.707 0.608 0.794 0.917 0.500 CB 0.970 13 residues pruned to eliminate duplicates Z: 15 21.753 1.816 0.950 0.861 0.929 0.357 CB 1.299 15 residues pruned to eliminate duplicates Z: 16 16.603 1.814 0.731 0.857 0.933 0.867 CA 1.078 16 residues pruned to eliminate duplicates Z: 21 16.860 1.995 0.454 0.543 1.000 0.500 CA 1.246 21 residues pruned to eliminate duplicates Z: 17 22.235 2.051 0.598 0.900 1.000 1.000 CA 1.212 17 residues pruned to eliminate duplicates Z: 6 4.039 1.640 0.201 0.676 0.600 0.600 CA 1.300 6 residues pruned to eliminate duplicates Z: 16 13.932 1.756 1.047 0.890 0.933 0.333 CB 0.771 16 residues pruned to eliminate duplicates Z: 18 10.733 1.781 0.189 0.893 0.941 0.765 CB 0.937 18 residues pruned to eliminate duplicates Z: 16 22.926 1.897 0.858 0.891 0.933 0.733 CA 1.293 16 residues pruned to eliminate duplicates Z: 16 16.076 1.706 0.636 0.913 1.000 0.867 CB 1.052 11 residues pruned to eliminate duplicates Z: 11 14.025 1.886 0.609 0.913 1.000 0.900 CB 1.035 11 residues pruned to eliminate duplicates Z: 15 8.167 1.909 0.515 0.401 0.786 0.500 CB 1.066 15 residues pruned to eliminate duplicates Z: 12 11.423 1.756 0.466 0.821 0.909 0.818 CB 1.114 12 residues pruned to eliminate duplicates Z: 19 17.509 1.602 0.584 0.882 1.000 0.778 CB 1.177 16 residues pruned to eliminate duplicates Z: 14 10.744 1.739 0.510 0.912 0.692 0.538 CB 1.160 14 residues pruned to eliminate duplicates Z: 17 19.765 1.801 0.997 0.944 0.938 0.562 CB 1.015 17 residues pruned to eliminate duplicates Z: 17 16.448 2.032 0.284 0.883 1.000 0.875 CB 1.140 17 residues pruned to eliminate duplicates Z: 12 19.247 1.898 1.161 0.905 0.909 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 14 20.461 1.752 1.065 0.926 0.923 0.615 CB 1.192 15 residues pruned to eliminate duplicates Z: 13 18.640 1.670 0.786 0.897 1.000 0.750 CA 1.292 13 residues pruned to eliminate duplicates Z: 13 17.088 1.799 1.185 0.839 0.917 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 10 4.230 1.719 -0.451 0.914 1.000 1.000 CA 1.057 10 residues pruned to eliminate duplicates Z: 15 17.510 1.729 0.690 0.917 1.000 0.571 CB 1.130 15 residues pruned to eliminate duplicates Z: 16 16.024 1.787 0.620 0.917 0.867 0.667 CB 1.163 16 residues pruned to eliminate duplicates Z: 10 19.271 2.003 0.758 0.893 1.000 0.778 CB 1.310 10 residues pruned to eliminate duplicates Z: 42 27.350 1.951 0.845 0.523 0.878 0.610 CB 1.321 42 residues pruned to eliminate duplicates Z: 19 14.552 1.755 0.518 0.924 0.944 0.667 CB 0.957 19 residues pruned to eliminate duplicates Z: 17 27.989 1.906 0.928 0.936 1.000 0.750 CB 1.326 17 residues pruned to eliminate duplicates Z: 9 11.728 1.763 0.577 0.855 0.875 0.750 CB 1.257 9 residues pruned to eliminate duplicates Z: 51 28.985 1.820 0.744 0.719 0.960 0.580 CB 1.104 51 residues pruned to eliminate duplicates Z: 12 16.880 2.041 0.566 0.914 0.909 0.909 CB 1.238 12 residues pruned to eliminate duplicates Z: 17 11.556 1.745 0.279 0.932 1.000 0.875 CB 0.904 17 residues pruned to eliminate duplicates Z: 20 29.536 1.947 1.084 0.877 1.000 0.684 CB 1.212 19 residues pruned to eliminate duplicates Z: 16 21.364 1.787 0.993 0.925 0.867 0.867 CB 1.254 16 residues pruned to eliminate duplicates Z: 13 14.881 1.716 0.676 0.879 0.917 0.500 CB 1.182 13 residues pruned to eliminate duplicates Z: 7 7.126 1.716 -0.053 0.830 1.000 0.667 CB 1.346 7 residues pruned to eliminate duplicates Z: 6 6.398 1.654 0.707 0.733 0.800 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 34 18.465 1.820 0.618 0.531 0.939 0.576 CB 1.127 35 residues pruned to eliminate duplicates Z: 7 7.083 1.596 0.768 0.641 0.833 0.833 CA 1.078 7 residues pruned to eliminate duplicates Z: 18 16.405 2.024 0.304 0.899 0.941 0.765 CB 1.144 18 residues pruned to eliminate duplicates Z: 21 25.189 1.851 0.995 0.727 0.950 0.700 CB 1.308 21 residues pruned to eliminate duplicates Z: 16 11.833 1.747 0.315 0.860 0.933 0.800 CB 1.047 16 residues pruned to eliminate duplicates Z: 16 13.533 1.760 0.436 0.892 0.933 0.867 CB 1.064 16 residues pruned to eliminate duplicates Z: 7 2.553 1.496 0.313 0.297 0.667 0.333 CB 0.999 Z: 19 17.121 1.841 0.830 0.903 0.944 0.389 CB 0.904 20 residues pruned to eliminate duplicates Z: 13 18.935 1.795 0.776 0.866 1.000 0.833 CA 1.255 13 residues pruned to eliminate duplicates Z: 20 11.764 1.719 0.477 0.687 0.895 0.474 CB 1.000 20 residues pruned to eliminate duplicates Z: 7 6.383 1.765 -0.038 0.841 1.000 0.667 CB 1.144 7 residues pruned to eliminate duplicates Z: 10 7.382 1.797 -0.185 0.933 1.000 1.000 CB 1.172 10 residues pruned to eliminate duplicates Z: 8 4.170 1.468 0.611 0.413 0.714 0.286 CB 1.021 8 residues pruned to eliminate duplicates Z: 54 25.668 1.786 0.651 0.689 0.906 0.585 CB 1.110 54 residues pruned to eliminate duplicates Z: 11 10.713 1.785 0.063 0.905 1.000 1.000 CA 1.270 11 residues pruned to eliminate duplicates Z: 17 25.300 1.737 1.031 0.868 1.000 0.500 CA 1.310 18 residues pruned to eliminate duplicates Z: 34 24.175 1.994 0.784 0.448 0.879 0.636 CB 1.421 34 residues pruned to eliminate duplicates Z: 11 8.290 1.611 0.691 0.564 0.900 0.700 CB 1.004 10 residues pruned to eliminate duplicates Z: 7 6.718 2.046 0.013 0.790 1.000 0.833 CB 1.026 7 residues pruned to eliminate duplicates Z: 8 4.980 1.676 0.190 0.577 0.857 0.714 CB 1.022 8 residues pruned to eliminate duplicates Z: 11 9.712 1.629 0.431 0.534 0.900 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 16 18.453 1.778 1.063 0.931 1.000 0.400 CB 0.908 16 residues pruned to eliminate duplicates Z: 20 13.874 1.770 0.483 0.697 0.947 0.632 CB 1.070 20 residues pruned to eliminate duplicates Z: 44 24.281 1.946 0.716 0.474 0.907 0.558 CB 1.256 44 residues pruned to eliminate duplicates Z: 13 18.397 1.769 1.156 0.865 0.917 0.750 CB 1.113 13 residues pruned to eliminate duplicates Z: 19 25.265 2.004 0.926 0.913 1.000 0.778 CB 1.092 19 residues pruned to eliminate duplicates Z: 17 16.169 1.876 0.530 0.851 0.938 0.312 CB 1.111 17 residues pruned to eliminate duplicates Z: 14 17.508 1.822 0.600 0.889 0.923 0.846 CB 1.299 14 residues pruned to eliminate duplicates Z: 13 9.069 1.737 0.439 0.445 0.917 0.833 CB 1.209 13 residues pruned to eliminate duplicates Z: 13 16.246 1.769 0.797 0.826 1.000 0.750 CB 1.112 13 residues pruned to eliminate duplicates Z: 11 17.643 1.923 0.805 0.892 1.000 0.200 CB 1.155 11 residues pruned to eliminate duplicates Z: 6 2.936 1.759 0.367 0.646 0.800 0.800 CB 0.596 Z: 10 5.148 1.619 0.652 0.305 0.778 0.333 CB 1.025 Z: 12 15.343 1.788 0.993 0.860 0.909 0.636 CB 1.051 12 residues pruned to eliminate duplicates Z: 9 9.721 1.828 0.485 0.438 1.000 0.750 CB 1.349 Z: 33 21.159 1.941 0.577 0.584 0.938 0.594 CB 1.202 33 residues pruned to eliminate duplicates Z: 13 15.054 1.663 0.831 0.842 0.917 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 6 9.158 1.830 1.061 0.519 0.800 0.600 CB 1.331 6 residues pruned to eliminate duplicates Z: 16 11.453 1.623 0.483 0.863 1.000 0.733 CB 0.901 16 residues pruned to eliminate duplicates Z: 17 20.630 1.779 0.752 0.912 1.000 0.688 CA 1.172 17 residues pruned to eliminate duplicates Z: 13 21.475 1.962 1.108 0.904 0.917 0.750 CA 1.165 13 residues pruned to eliminate duplicates 6 1.612 1.420 0.281 0.617 0.600 0.400 N 0.592 ? Z: 17 22.385 1.826 0.798 0.913 1.000 0.750 CA 1.207 17 residues pruned to eliminate duplicates Z: 10 6.175 1.649 0.553 0.241 0.889 0.222 CB 1.220 6 residues pruned to eliminate duplicates Z: 11 8.744 1.683 0.414 0.767 0.800 0.800 CA 1.146 11 residues pruned to eliminate duplicates Z: 11 11.531 1.924 0.534 0.500 1.000 0.900 CB 1.235 11 residues pruned to eliminate duplicates Z: 55 33.651 1.829 0.730 0.749 0.944 0.648 CB 1.227 55 residues pruned to eliminate duplicates Z: 18 15.669 1.644 0.429 0.901 1.000 0.765 CB 1.155 18 residues pruned to eliminate duplicates Z: 11 14.182 1.896 0.542 0.841 0.900 0.800 CA 1.271 11 residues pruned to eliminate duplicates Z: 20 14.630 1.722 0.737 0.927 1.000 0.579 CB 0.786 20 residues pruned to eliminate duplicates Z: 16 11.123 1.775 0.323 0.900 0.867 0.667 CB 1.008 16 residues pruned to eliminate duplicates Z: 16 23.397 1.745 1.023 0.902 1.000 0.667 CB 1.221 16 residues pruned to eliminate duplicates Z: 20 13.642 1.774 0.397 0.741 0.947 0.684 CB 1.074 20 residues pruned to eliminate duplicates Z: 17 25.824 1.861 0.750 0.920 1.000 1.000 CB 1.396 17 residues pruned to eliminate duplicates 6 1.197 1.442 -0.028 0.399 0.600 0.400 CB 0.708 ? Z: 16 12.411 1.735 0.327 0.914 1.000 0.533 CB 0.985 16 residues pruned to eliminate duplicates Z: 16 12.878 1.829 0.358 0.901 0.933 0.867 CB 1.024 16 residues pruned to eliminate duplicates Z: 10 12.798 1.919 0.470 0.912 1.000 1.000 CB 1.071 10 residues pruned to eliminate duplicates Z: 20 19.554 1.809 0.962 0.626 0.895 0.737 CB 1.255 20 residues pruned to eliminate duplicates Z: 12 15.016 1.973 0.508 0.869 0.909 0.727 CB 1.223 12 residues pruned to eliminate duplicates Z: 17 14.793 1.626 0.338 0.891 1.000 0.688 CA 1.222 17 residues pruned to eliminate duplicates Z: 33 31.841 1.923 1.022 0.686 0.906 0.688 CB 1.347 33 residues pruned to eliminate duplicates 6 0.871 1.346 0.615 0.292 0.600 0.600 CB 0.377 ? Z: 13 14.951 1.755 0.880 0.857 1.000 0.750 CB 0.964 13 residues pruned to eliminate duplicates Z: 66 35.625 1.828 0.801 0.760 0.923 0.615 CB 1.154 66 residues pruned to eliminate duplicates Z: 7 3.658 1.367 0.215 0.796 0.833 0.500 CB 0.832 7 residues pruned to eliminate duplicates Z: 7 7.072 1.562 0.717 0.720 0.833 0.667 CA 1.059 7 residues pruned to eliminate duplicates Z: 16 13.742 1.876 0.455 0.931 0.933 0.733 CB 0.974 16 residues pruned to eliminate duplicates Z: 18 11.862 1.783 0.872 0.410 0.765 0.529 CB 1.239 8 residues pruned to eliminate duplicates Z: 8 7.740 1.680 0.317 0.693 0.857 0.714 CB 1.292 7 residues pruned to eliminate duplicates Z: 16 30.587 1.963 1.244 0.926 1.000 0.600 CB 1.258 16 residues pruned to eliminate duplicates Z: 17 21.668 1.761 1.005 0.864 0.938 0.812 CA 1.199 17 residues pruned to eliminate duplicates Z: 6 11.806 1.779 0.926 0.855 1.000 1.000 CB 1.137 6 residues pruned to eliminate duplicates Z: 17 18.496 1.814 0.770 0.859 0.938 0.812 CB 1.131 17 residues pruned to eliminate duplicates Z: 11 6.348 1.706 0.410 0.354 0.900 0.500 CB 1.086 11 residues pruned to eliminate duplicates Z: 13 12.075 1.727 0.743 0.805 0.833 0.583 CB 1.064 13 residues pruned to eliminate duplicates Z: 24 21.976 1.827 0.770 0.689 0.870 0.522 CB 1.371 24 residues pruned to eliminate duplicates Z: 8 6.737 1.456 1.143 0.823 0.857 0.143 CB 0.720 8 residues pruned to eliminate duplicates Z: 9 6.973 1.468 0.641 0.891 0.875 0.875 CB 0.841 Z: 11 8.888 1.711 0.138 0.841 1.000 0.900 CA 1.077 11 residues pruned to eliminate duplicates Z: 16 12.837 1.711 1.209 0.866 0.667 0.133 CB 0.963 16 residues pruned to eliminate duplicates Z: 18 16.113 2.022 0.300 0.873 0.882 0.765 CB 1.228 18 residues pruned to eliminate duplicates Z: 11 17.418 1.905 0.826 0.878 1.000 0.800 CB 1.149 11 residues pruned to eliminate duplicates Z: 10 7.632 1.679 0.286 0.827 0.889 0.667 CB 0.999 10 residues pruned to eliminate duplicates Z: 11 12.294 1.803 0.401 0.902 1.000 0.800 CA 1.097 11 residues pruned to eliminate duplicates Z: 13 10.973 1.716 0.464 0.825 0.917 0.667 CB 1.039 13 residues pruned to eliminate duplicates Z: 6 2.302 1.386 0.118 0.453 0.800 0.400 C 0.871 Z: 14 19.081 1.831 0.708 0.890 0.923 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 7 6.754 1.797 0.164 0.779 0.833 0.500 CB 1.238 7 residues pruned to eliminate duplicates Z: 13 22.481 1.868 0.895 0.886 1.000 0.833 CA 1.323 13 residues pruned to eliminate duplicates Z: 6 10.886 2.032 0.621 0.310 1.000 0.800 CB 1.824 6 residues pruned to eliminate duplicates Z: 10 9.416 1.784 0.395 0.874 1.000 0.778 CB 0.918 10 residues pruned to eliminate duplicates Z: 7 2.541 1.399 0.077 0.507 1.000 0.667 N 0.684 Z: 12 11.306 1.995 0.590 0.592 0.909 0.545 CB 1.083 9 residues pruned to eliminate duplicates Z: 6 2.197 1.474 0.811 0.437 0.800 0.400 C 0.491 6 residues pruned to eliminate duplicates Z: 24 13.585 1.778 0.596 0.539 0.870 0.609 CB 1.105 24 residues pruned to eliminate duplicates Z: 10 12.279 1.910 0.422 0.865 0.889 0.667 CB 1.243 10 residues pruned to eliminate duplicates Z: 12 9.710 1.498 0.785 0.898 1.000 0.727 CB 0.784 9 residues pruned to eliminate duplicates Z: 6 7.207 1.567 0.466 0.689 1.000 0.600 CB 1.181 Z: 17 20.779 1.886 0.663 0.904 0.938 0.750 CB 1.258 17 residues pruned to eliminate duplicates Z: 15 15.856 1.726 0.877 0.924 0.929 0.429 CB 0.989 16 residues pruned to eliminate duplicates Z: 7 4.089 1.406 0.778 0.614 0.833 0.333 N 0.720 7 residues pruned to eliminate duplicates Z: 16 21.619 1.837 0.793 0.853 0.933 0.733 CA 1.342 16 residues pruned to eliminate duplicates Z: 12 13.816 1.745 0.767 0.911 1.000 0.727 CB 0.957 12 residues pruned to eliminate duplicates Z: 16 14.422 1.924 0.667 0.506 0.800 0.600 CB 1.443 16 residues pruned to eliminate duplicates Z: 11 6.864 1.584 0.068 0.691 0.900 0.700 CB 1.197 11 residues pruned to eliminate duplicates Z: 82 33.880 1.821 0.743 0.614 0.877 0.654 CB 1.214 75 residues pruned to eliminate duplicates Z: 7 2.458 1.539 0.164 0.566 0.667 0.500 CB 0.788 6 0.745 1.191 0.013 0.296 1.000 0.600 CB 0.347 ? Z: 10 9.283 1.909 0.497 0.481 0.889 0.667 CB 1.242 11 residues pruned to eliminate duplicates Z: 7 10.251 1.477 1.166 0.838 1.000 0.500 CB 0.978 6 residues pruned to eliminate duplicates Z: 6 3.642 1.429 0.370 0.473 0.800 0.400 CB 1.069 Z: 9 3.743 1.519 0.283 0.277 0.750 0.375 C 1.166 Z: 13 10.433 1.746 0.303 0.913 0.917 0.750 CA 1.022 13 residues pruned to eliminate duplicates Z: 32 20.708 1.747 0.497 0.623 0.968 0.710 CA 1.309 32 residues pruned to eliminate duplicates Z: 13 14.913 1.630 0.985 0.735 0.833 0.500 CA 1.293 13 residues pruned to eliminate duplicates Z: 12 8.679 1.801 0.392 0.871 0.818 0.727 CB 0.930 12 residues pruned to eliminate duplicates Z: 31 28.567 1.862 0.892 0.734 1.000 0.700 CB 1.200 33 residues pruned to eliminate duplicates Z: 16 7.118 1.843 0.251 0.318 0.867 0.533 CB 1.124 16 residues pruned to eliminate duplicates Z: 8 9.438 1.463 1.336 0.877 1.000 0.429 CB 0.758 8 residues pruned to eliminate duplicates Z: 11 10.101 1.609 1.265 0.386 0.800 0.700 CB 1.237 11 residues pruned to eliminate duplicates Z: 6 7.171 1.723 0.845 0.643 0.800 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 29 15.627 1.784 0.554 0.514 0.893 0.607 CB 1.176 23 residues pruned to eliminate duplicates Z: 13 15.109 1.810 0.768 0.814 0.917 0.750 CB 1.132 13 residues pruned to eliminate duplicates Z: 46 27.857 1.805 0.794 0.729 0.911 0.644 CB 1.145 46 residues pruned to eliminate duplicates Z: 18 19.471 1.702 0.578 0.884 1.000 0.882 CB 1.270 18 residues pruned to eliminate duplicates Z: 44 25.487 1.941 0.648 0.502 0.953 0.581 CB 1.272 44 residues pruned to eliminate duplicates Z: 24 13.632 1.817 0.331 0.537 0.913 0.609 CB 1.242 24 residues pruned to eliminate duplicates Z: 6 5.843 1.805 0.386 0.720 0.800 0.600 CA 1.070 6 residues pruned to eliminate duplicates Z: 6 3.905 1.157 0.366 0.790 1.000 0.600 C 0.857 6 residues pruned to eliminate duplicates Z: 11 6.486 1.817 0.644 0.251 0.700 0.400 CB 1.306 11 residues pruned to eliminate duplicates Z: 13 13.886 1.792 0.657 0.798 0.917 0.500 CB 1.134 13 residues pruned to eliminate duplicates Z: 8 9.124 1.868 0.251 0.579 1.000 0.571 CB 1.368 13 residues pruned to eliminate duplicates Z: 8 7.511 1.777 0.526 0.860 1.000 0.857 CA 0.770 8 residues pruned to eliminate duplicates Z: 8 2.560 1.638 -0.127 0.401 0.714 0.429 CB 1.051 Z: 11 9.278 1.728 0.608 0.886 0.900 0.600 CB 0.846 11 residues pruned to eliminate duplicates Z: 14 24.304 1.861 0.876 0.915 0.923 0.846 CB 1.478 14 residues pruned to eliminate duplicates Z: 14 14.942 1.731 0.525 0.873 1.000 0.769 CB 1.143 13 residues pruned to eliminate duplicates Z: 6 2.850 1.318 0.008 0.480 1.000 0.400 CB 0.978 Z: 11 29.425 2.092 1.164 0.932 1.000 0.400 CA 1.436 11 residues pruned to eliminate duplicates Z: 11 10.121 1.744 0.157 0.910 1.000 1.000 CB 1.124 11 residues pruned to eliminate duplicates Z: 6 2.138 1.200 0.121 0.349 1.000 0.600 N 0.838 Z: 6 11.385 1.803 0.474 0.803 1.000 1.000 CA 1.470 6 residues pruned to eliminate duplicates Z: 9 4.945 1.465 0.582 0.258 0.875 0.375 C 1.138 Z: 6 6.484 1.684 0.923 0.669 0.800 0.800 CB 0.957 6 residues pruned to eliminate duplicates Z: 19 28.765 2.030 0.973 0.893 1.000 0.722 CB 1.216 20 residues pruned to eliminate duplicates 6 0.799 1.179 0.205 0.100 0.600 0.200 N 0.698 ? Z: 11 12.594 1.829 0.740 0.899 0.900 0.400 CB 0.994 11 residues pruned to eliminate duplicates Z: 23 18.364 1.708 0.681 0.639 0.909 0.773 CA 1.317 23 residues pruned to eliminate duplicates Z: 18 28.040 1.815 0.972 0.890 1.000 0.882 CB 1.366 18 residues pruned to eliminate duplicates Z: 10 4.995 1.702 0.374 0.416 0.889 0.556 CB 0.875 10 residues pruned to eliminate duplicates Z: 6 2.187 1.273 0.184 0.457 1.000 0.400 CB 0.679 7 1.747 1.004 0.913 0.246 0.833 0.667 CA 0.597 ? Z: 12 20.364 2.042 0.712 0.899 1.000 0.727 CB 1.255 12 residues pruned to eliminate duplicates Z: 11 12.004 1.847 0.388 0.918 1.000 0.900 CB 1.044 11 residues pruned to eliminate duplicates Z: 16 18.233 1.985 0.377 0.908 1.000 0.933 CB 1.223 16 residues pruned to eliminate duplicates Z: 9 5.081 1.498 0.416 0.558 0.875 0.625 CB 0.915 9 residues pruned to eliminate duplicates Z: 12 20.562 1.805 0.761 0.925 1.000 0.818 CA 1.369 12 residues pruned to eliminate duplicates 401 residues left after pruning, divided into chains as follows: A: 32 B: 17 C: 62 D: 12 E: 76 F: 30 G: 7 H: 21 I: 118 J: 26 CC for partial structure against native data = 40.51 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.372, Connect. = 0.705 for dens.mod. cycle 1 = 0.300, Contrast = 0.428, Connect. = 0.729 for dens.mod. cycle 2 = 0.300, Contrast = 0.527, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.539, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.553, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.561, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.582, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2219 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 499 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 29.902 2.174 0.596 0.911 0.947 0.737 CB 1.479 B: 13 26.040 2.216 0.594 0.927 1.000 0.750 CB 1.491 C: 9 12.219 1.987 0.244 0.857 0.875 0.625 CB 1.472 D: 20 31.086 2.182 0.729 0.878 0.895 0.737 CA 1.534 19 residues pruned to eliminate duplicates E: 12 24.490 2.222 0.513 0.914 1.000 0.909 CB 1.553 12 residues pruned to eliminate duplicates F: 6 6.046 1.746 0.137 0.792 1.000 0.600 CA 1.054 G: 20 38.570 2.202 0.900 0.894 1.000 0.579 CB 1.517 20 residues pruned to eliminate duplicates H: 13 22.705 2.135 0.675 0.849 0.917 0.833 CB 1.482 14 residues pruned to eliminate duplicates I: 26 23.837 2.115 0.729 0.653 0.880 0.480 CB 1.285 15 residues pruned to eliminate duplicates J: 55 32.675 2.016 0.607 0.516 0.926 0.537 CB 1.460 14 residues pruned to eliminate duplicates K: 18 25.768 1.995 0.491 0.910 0.941 0.647 CB 1.583 L: 123 64.324 2.099 0.768 0.650 0.918 0.533 CB 1.487 30 residues pruned to eliminate duplicates M: 15 17.590 1.926 0.400 0.924 1.000 0.786 CA 1.225 N: 6 11.730 2.230 0.343 0.860 1.000 0.600 CB 1.288 O: 79 45.687 2.136 0.761 0.550 0.885 0.654 CB 1.481 79 residues pruned to eliminate duplicates P: 59 44.261 2.165 0.739 0.559 0.948 0.638 CB 1.537 59 residues pruned to eliminate duplicates Q: 67 43.119 2.060 0.642 0.752 0.924 0.682 CB 1.356 2 residues pruned to eliminate duplicates R: 14 15.552 2.066 0.148 0.763 1.000 0.462 CB 1.440 14 residues pruned to eliminate duplicates S: 13 26.700 2.168 0.639 0.905 1.000 0.917 CB 1.544 13 residues pruned to eliminate duplicates T: 20 17.652 1.894 0.106 0.915 0.947 0.737 CB 1.442 U: 12 24.754 2.259 0.417 0.924 1.000 1.000 CB 1.636 12 residues pruned to eliminate duplicates V: 27 32.945 2.166 0.797 0.632 0.962 0.654 CB 1.524 27 residues pruned to eliminate duplicates W: 13 28.931 2.088 0.817 0.931 1.000 0.583 CB 1.538 13 residues pruned to eliminate duplicates X: 53 39.609 2.159 0.678 0.562 0.942 0.615 CB 1.515 52 residues pruned to eliminate duplicates Y: 21 32.692 2.137 0.681 0.904 1.000 0.800 CA 1.450 21 residues pruned to eliminate duplicates Z: 6 8.607 1.694 0.603 0.736 1.000 0.600 CA 1.146 6 residues pruned to eliminate duplicates Z: 70 31.950 1.990 0.516 0.465 0.928 0.478 CB 1.424 70 residues pruned to eliminate duplicates Z: 13 28.939 2.076 0.826 0.929 1.000 0.833 CA 1.542 13 residues pruned to eliminate duplicates Z: 14 22.456 2.017 0.977 0.821 0.846 0.615 CA 1.397 14 residues pruned to eliminate duplicates Z: 12 28.854 2.237 0.819 0.902 1.000 0.909 CB 1.525 12 residues pruned to eliminate duplicates Z: 13 21.292 2.059 0.784 0.788 0.917 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 18 21.505 1.962 0.488 0.908 0.882 0.706 CA 1.438 18 residues pruned to eliminate duplicates Z: 19 20.806 1.980 0.587 0.876 0.889 0.444 CB 1.275 19 residues pruned to eliminate duplicates Z: 11 14.757 1.985 0.520 0.901 1.000 0.700 CA 1.104 11 residues pruned to eliminate duplicates Z: 13 20.492 2.030 0.805 0.806 0.917 0.667 CB 1.349 13 residues pruned to eliminate duplicates Z: 14 22.369 2.125 0.563 0.574 1.000 0.615 CB 1.739 14 residues pruned to eliminate duplicates Z: 14 19.558 1.842 0.984 0.814 0.846 0.769 CA 1.335 14 residues pruned to eliminate duplicates Z: 19 16.581 1.698 0.481 0.870 1.000 0.778 CA 1.134 15 residues pruned to eliminate duplicates Z: 18 24.602 1.962 0.433 0.914 1.000 0.647 CB 1.501 18 residues pruned to eliminate duplicates Z: 18 22.696 1.982 0.334 0.917 0.941 0.882 CA 1.561 18 residues pruned to eliminate duplicates Z: 18 26.579 1.937 0.704 0.932 1.000 0.941 CA 1.364 18 residues pruned to eliminate duplicates Z: 13 20.219 2.050 0.535 0.874 1.000 0.833 CB 1.350 13 residues pruned to eliminate duplicates Z: 13 23.697 2.175 0.604 0.919 1.000 0.750 CB 1.382 13 residues pruned to eliminate duplicates Z: 13 26.844 2.176 0.683 0.936 1.000 0.750 CB 1.474 13 residues pruned to eliminate duplicates Z: 16 22.636 2.040 0.647 0.903 1.000 0.867 CA 1.240 Z: 18 24.686 1.976 0.508 0.921 0.941 0.706 CB 1.503 18 residues pruned to eliminate duplicates Z: 27 39.589 2.225 0.750 0.758 1.000 0.846 CB 1.585 21 residues pruned to eliminate duplicates Z: 13 18.838 2.072 0.391 0.830 1.000 0.583 CB 1.418 13 residues pruned to eliminate duplicates Z: 20 35.017 2.177 0.894 0.907 0.947 0.632 CB 1.462 20 residues pruned to eliminate duplicates Z: 44 27.278 2.042 0.375 0.515 0.977 0.698 CB 1.494 44 residues pruned to eliminate duplicates Z: 8 12.984 2.101 0.354 0.840 0.857 0.714 CA 1.502 8 residues pruned to eliminate duplicates Z: 19 32.546 2.268 0.559 0.885 1.000 0.889 CA 1.567 19 residues pruned to eliminate duplicates Z: 21 22.588 1.892 0.449 0.902 1.000 0.450 CB 1.315 20 residues pruned to eliminate duplicates Z: 13 18.583 2.085 0.447 0.866 0.917 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 17 19.810 1.979 0.182 0.933 0.938 0.812 CA 1.576 17 residues pruned to eliminate duplicates Z: 57 40.150 2.194 0.645 0.566 0.929 0.750 CB 1.502 57 residues pruned to eliminate duplicates Z: 17 30.277 2.023 0.903 0.891 0.938 0.625 CB 1.507 18 residues pruned to eliminate duplicates Z: 13 27.767 2.069 0.721 0.894 1.000 0.917 CA 1.615 13 residues pruned to eliminate duplicates Z: 21 33.410 2.120 0.947 0.886 0.900 0.650 CB 1.451 20 residues pruned to eliminate duplicates Z: 12 27.816 2.286 0.740 0.925 1.000 0.273 CB 1.480 12 residues pruned to eliminate duplicates Z: 13 23.087 2.122 0.466 0.905 1.000 1.000 CA 1.525 13 residues pruned to eliminate duplicates Z: 19 20.731 1.976 0.350 0.937 1.000 0.611 CB 1.275 19 residues pruned to eliminate duplicates Z: 92 44.169 2.056 0.545 0.651 0.923 0.637 CB 1.372 92 residues pruned to eliminate duplicates Z: 18 27.986 1.966 0.865 0.882 0.941 0.588 CB 1.423 18 residues pruned to eliminate duplicates Z: 9 13.567 2.037 0.793 0.477 1.000 0.500 CB 1.345 Z: 13 27.276 2.144 0.858 0.892 0.917 0.833 CA 1.549 13 residues pruned to eliminate duplicates Z: 20 19.199 1.918 0.471 0.881 0.947 0.579 CB 1.193 20 residues pruned to eliminate duplicates Z: 17 24.097 1.998 0.520 0.919 0.938 0.688 CB 1.491 17 residues pruned to eliminate duplicates Z: 16 33.987 2.077 0.995 0.940 1.000 0.733 CA 1.470 16 residues pruned to eliminate duplicates Z: 20 31.735 2.194 0.658 0.883 0.947 0.789 CA 1.527 20 residues pruned to eliminate duplicates Z: 29 30.722 2.106 0.565 0.717 0.964 0.893 CA 1.502 29 residues pruned to eliminate duplicates Z: 13 27.452 2.096 0.659 0.924 1.000 1.000 CB 1.601 13 residues pruned to eliminate duplicates Z: 12 29.019 2.282 0.793 0.928 1.000 0.545 CB 1.497 12 residues pruned to eliminate duplicates Z: 20 42.108 2.192 1.078 0.922 1.000 0.842 CB 1.491 20 residues pruned to eliminate duplicates Z: 19 27.871 1.944 0.821 0.933 1.000 0.611 CB 1.295 19 residues pruned to eliminate duplicates Z: 47 33.073 1.937 0.859 0.683 0.870 0.413 CB 1.316 47 residues pruned to eliminate duplicates Z: 22 16.530 1.913 0.449 0.491 0.952 0.381 CB 1.379 22 residues pruned to eliminate duplicates Z: 18 28.773 1.972 0.826 0.901 0.941 0.706 CB 1.470 18 residues pruned to eliminate duplicates Z: 13 25.133 2.089 0.644 0.902 1.000 0.750 CA 1.507 13 residues pruned to eliminate duplicates Z: 13 26.970 2.077 0.781 0.903 1.000 0.917 CA 1.500 13 residues pruned to eliminate duplicates Z: 13 19.379 2.073 0.388 0.850 1.000 0.667 CB 1.441 13 residues pruned to eliminate duplicates Z: 21 23.238 1.887 0.397 0.854 1.000 0.750 CB 1.456 21 residues pruned to eliminate duplicates Z: 12 14.337 2.013 0.200 0.914 1.000 1.000 CB 1.266 12 residues pruned to eliminate duplicates Z: 19 39.388 2.214 1.060 0.884 0.944 0.667 CB 1.557 19 residues pruned to eliminate duplicates Z: 18 16.597 1.933 0.245 0.864 0.882 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 18 19.747 1.971 0.226 0.918 0.941 0.882 CB 1.485 18 residues pruned to eliminate duplicates Z: 13 17.152 2.026 0.386 0.853 0.917 0.667 CB 1.422 13 residues pruned to eliminate duplicates Z: 20 23.952 2.165 0.279 0.899 0.947 0.737 CA 1.497 20 residues pruned to eliminate duplicates Z: 13 28.468 2.220 0.871 0.885 1.000 0.917 CB 1.429 13 residues pruned to eliminate duplicates Z: 14 20.321 1.955 0.588 0.814 1.000 0.692 CA 1.382 14 residues pruned to eliminate duplicates Z: 18 15.768 1.891 0.038 0.904 1.000 0.882 CA 1.388 18 residues pruned to eliminate duplicates Z: 18 28.180 1.996 0.748 0.912 0.941 0.588 CB 1.474 18 residues pruned to eliminate duplicates Z: 27 27.795 2.087 0.682 0.595 0.923 0.692 CB 1.537 27 residues pruned to eliminate duplicates Z: 20 20.887 1.946 0.515 0.883 0.895 0.737 CB 1.314 20 residues pruned to eliminate duplicates Z: 12 29.118 2.106 0.868 0.887 1.000 0.818 CA 1.609 12 residues pruned to eliminate duplicates Z: 18 26.295 1.968 0.648 0.912 0.941 0.588 CB 1.480 18 residues pruned to eliminate duplicates Z: 8 8.996 1.914 0.194 0.789 0.857 0.714 CB 1.347 8 residues pruned to eliminate duplicates Z: 8 12.179 2.086 0.320 0.830 1.000 0.714 CB 1.257 9 residues pruned to eliminate duplicates Z: 10 12.648 2.135 0.060 0.842 1.000 0.778 CA 1.388 10 residues pruned to eliminate duplicates Z: 73 51.558 2.136 0.833 0.592 0.958 0.639 CB 1.484 82 residues pruned to eliminate duplicates Z: 8 15.374 2.333 0.147 0.870 1.000 0.714 CB 1.585 8 residues pruned to eliminate duplicates Z: 74 48.921 2.159 0.833 0.587 0.932 0.562 CB 1.429 64 residues pruned to eliminate duplicates Z: 20 25.064 1.964 0.540 0.906 1.000 0.474 CB 1.352 21 residues pruned to eliminate duplicates Z: 18 29.402 1.944 0.732 0.886 1.000 0.765 CA 1.528 17 residues pruned to eliminate duplicates Z: 53 26.298 2.042 0.465 0.485 0.923 0.481 CB 1.342 53 residues pruned to eliminate duplicates Z: 20 16.164 1.888 0.162 0.887 0.947 0.789 CA 1.287 20 residues pruned to eliminate duplicates Z: 29 34.809 2.069 0.800 0.759 0.964 0.786 CB 1.455 29 residues pruned to eliminate duplicates Z: 17 32.681 1.945 1.033 0.925 1.000 0.500 CA 1.450 17 residues pruned to eliminate duplicates Z: 11 22.663 2.054 0.669 0.916 1.000 0.800 CB 1.477 11 residues pruned to eliminate duplicates Z: 11 17.440 2.082 0.286 0.882 1.000 0.900 CA 1.490 11 residues pruned to eliminate duplicates Z: 15 23.906 2.183 0.615 0.848 0.929 0.643 CB 1.448 15 residues pruned to eliminate duplicates Z: 18 26.711 1.975 0.874 0.887 1.000 0.647 CA 1.262 16 residues pruned to eliminate duplicates Z: 29 27.749 2.067 0.551 0.546 1.000 0.607 CB 1.564 29 residues pruned to eliminate duplicates Z: 18 19.351 2.027 0.419 0.884 0.882 0.529 CB 1.336 18 residues pruned to eliminate duplicates Z: 11 11.579 2.025 0.271 0.525 1.000 0.700 CB 1.387 11 residues pruned to eliminate duplicates Z: 17 30.124 2.013 0.867 0.922 0.938 0.875 CA 1.503 17 residues pruned to eliminate duplicates Z: 17 32.530 2.072 1.126 0.916 1.000 0.688 CB 1.305 17 residues pruned to eliminate duplicates Z: 18 26.958 1.927 0.677 0.940 1.000 0.765 CA 1.405 19 residues pruned to eliminate duplicates Z: 13 26.637 2.002 0.818 0.927 1.000 1.000 CA 1.481 13 residues pruned to eliminate duplicates Z: 7 4.598 1.930 0.242 0.415 0.667 0.333 CB 1.284 7 residues pruned to eliminate duplicates Z: 16 19.199 2.014 0.476 0.873 0.867 0.867 CB 1.402 16 residues pruned to eliminate duplicates Z: 20 19.823 1.902 0.490 0.902 0.895 0.526 CB 1.280 20 residues pruned to eliminate duplicates Z: 13 29.588 2.066 0.814 0.936 1.000 0.667 CB 1.588 13 residues pruned to eliminate duplicates Z: 13 21.230 2.008 0.685 0.837 0.917 0.833 CA 1.478 13 residues pruned to eliminate duplicates Z: 18 29.311 1.924 0.768 0.896 1.000 0.882 CB 1.497 18 residues pruned to eliminate duplicates Z: 15 18.274 2.068 0.442 0.893 0.929 0.857 CA 1.266 15 residues pruned to eliminate duplicates Z: 17 29.788 2.036 0.772 0.918 1.000 0.938 CA 1.456 18 residues pruned to eliminate duplicates Z: 13 26.288 2.081 0.585 0.934 1.000 1.000 CA 1.605 13 residues pruned to eliminate duplicates Z: 12 21.079 2.162 0.570 0.874 0.909 0.818 CB 1.499 12 residues pruned to eliminate duplicates Z: 22 17.006 1.986 0.438 0.730 0.905 0.571 CB 1.168 22 residues pruned to eliminate duplicates Z: 22 24.112 1.866 0.473 0.866 1.000 0.619 CB 1.401 22 residues pruned to eliminate duplicates Z: 17 26.856 2.030 0.746 0.916 0.938 0.875 CA 1.427 17 residues pruned to eliminate duplicates Z: 18 28.036 1.904 0.968 0.874 0.941 0.529 CA 1.403 18 residues pruned to eliminate duplicates Z: 14 24.349 1.948 0.825 0.852 1.000 0.769 CA 1.406 14 residues pruned to eliminate duplicates Z: 17 15.757 1.839 0.302 0.874 1.000 0.875 CA 1.197 17 residues pruned to eliminate duplicates Z: 13 28.491 2.162 0.872 0.892 0.917 0.917 CA 1.592 13 residues pruned to eliminate duplicates Z: 17 8.919 2.067 0.255 0.276 0.812 0.438 CB 1.363 Z: 18 25.097 1.928 0.552 0.903 1.000 0.765 CA 1.450 18 residues pruned to eliminate duplicates Z: 17 19.380 1.896 0.273 0.890 0.938 0.812 CA 1.540 17 residues pruned to eliminate duplicates Z: 9 8.153 1.830 0.801 0.480 0.750 0.625 CB 1.190 Z: 14 9.967 1.959 0.283 0.369 1.000 0.692 CB 1.266 14 residues pruned to eliminate duplicates Z: 13 27.520 2.168 0.688 0.917 1.000 0.750 CB 1.532 13 residues pruned to eliminate duplicates Z: 10 12.519 1.872 0.608 0.817 0.889 0.889 CA 1.184 10 residues pruned to eliminate duplicates Z: 13 15.360 1.955 0.270 0.855 1.000 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 31 20.791 1.959 0.407 0.546 0.933 0.633 CA 1.411 31 residues pruned to eliminate duplicates Z: 21 20.842 1.891 0.429 0.853 0.950 0.600 CB 1.342 21 residues pruned to eliminate duplicates Z: 11 13.783 2.061 0.140 0.900 0.900 0.900 CB 1.472 11 residues pruned to eliminate duplicates Z: 33 34.095 2.043 0.602 0.742 1.000 0.688 CA 1.482 33 residues pruned to eliminate duplicates Z: 33 25.457 2.040 0.685 0.627 0.906 0.812 CA 1.282 36 residues pruned to eliminate duplicates Z: 17 16.342 1.794 0.400 0.888 0.938 0.625 CA 1.250 17 residues pruned to eliminate duplicates Z: 8 11.984 2.170 0.457 0.455 1.000 0.571 CA 1.500 8 residues pruned to eliminate duplicates Z: 33 25.513 2.021 0.663 0.602 0.906 0.625 CA 1.344 33 residues pruned to eliminate duplicates Z: 19 24.255 1.839 0.686 0.929 1.000 0.944 CA 1.291 19 residues pruned to eliminate duplicates Z: 37 33.294 2.080 0.581 0.810 0.944 0.611 CB 1.364 37 residues pruned to eliminate duplicates Z: 7 5.387 1.713 0.310 0.779 0.833 0.500 CB 0.920 7 residues pruned to eliminate duplicates Z: 21 30.138 2.126 1.047 0.726 0.850 0.650 CB 1.486 21 residues pruned to eliminate duplicates Z: 13 20.571 2.016 0.611 0.884 1.000 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 57 32.210 1.984 0.630 0.516 0.929 0.482 CB 1.411 57 residues pruned to eliminate duplicates Z: 69 39.823 2.156 0.608 0.556 0.912 0.676 CB 1.447 69 residues pruned to eliminate duplicates Z: 18 20.021 1.945 0.645 0.843 1.000 0.824 CA 1.130 18 residues pruned to eliminate duplicates Z: 21 21.884 1.912 0.420 0.853 0.950 0.650 CB 1.403 21 residues pruned to eliminate duplicates Z: 17 24.441 2.020 0.656 0.919 1.000 0.875 CB 1.287 17 residues pruned to eliminate duplicates Z: 56 34.663 2.025 0.543 0.716 0.909 0.527 CB 1.353 56 residues pruned to eliminate duplicates Z: 17 22.513 2.042 0.573 0.921 1.000 0.938 CA 1.233 17 residues pruned to eliminate duplicates Z: 13 17.593 1.892 0.633 0.831 0.917 0.750 CB 1.347 13 residues pruned to eliminate duplicates Z: 17 28.131 2.032 0.690 0.910 1.000 0.750 CA 1.453 17 residues pruned to eliminate duplicates Z: 16 15.677 1.871 0.133 0.912 1.000 0.867 CA 1.353 16 residues pruned to eliminate duplicates Z: 15 14.235 1.943 0.420 0.876 1.000 0.857 CA 1.002 15 residues pruned to eliminate duplicates Z: 12 21.427 2.126 0.500 0.901 1.000 0.727 CB 1.446 12 residues pruned to eliminate duplicates Z: 64 43.705 2.054 0.711 0.744 0.952 0.619 CB 1.323 64 residues pruned to eliminate duplicates Z: 18 28.021 1.995 0.941 0.839 0.882 0.588 CA 1.486 18 residues pruned to eliminate duplicates Z: 29 26.256 1.941 0.557 0.708 0.929 0.607 CB 1.464 29 residues pruned to eliminate duplicates Z: 17 15.252 1.772 0.493 0.824 0.875 0.562 CB 1.244 17 residues pruned to eliminate duplicates Z: 11 8.792 2.006 0.698 0.400 0.800 0.600 CB 1.134 Z: 18 22.548 1.961 0.395 0.915 1.000 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 13 15.223 2.008 0.372 0.901 0.917 0.667 CB 1.242 13 residues pruned to eliminate duplicates Z: 13 27.845 1.951 1.074 0.889 1.000 0.917 CA 1.430 13 residues pruned to eliminate duplicates Z: 13 16.677 1.921 0.407 0.920 1.000 0.667 CA 1.255 15 residues pruned to eliminate duplicates Z: 13 17.972 2.068 0.289 0.829 1.000 0.833 CB 1.465 13 residues pruned to eliminate duplicates Z: 42 28.124 2.058 0.425 0.750 0.927 0.634 CB 1.293 42 residues pruned to eliminate duplicates Z: 20 22.758 1.936 0.645 0.883 0.895 0.579 CB 1.324 20 residues pruned to eliminate duplicates Z: 14 15.866 1.892 0.662 0.794 0.923 0.462 CB 1.172 14 residues pruned to eliminate duplicates Z: 6 6.477 2.268 0.992 0.473 0.600 0.400 CB 1.098 3 residues pruned to eliminate duplicates Z: 57 31.273 2.039 0.548 0.530 0.964 0.571 CB 1.333 57 residues pruned to eliminate duplicates Z: 13 24.519 2.018 0.669 0.861 1.000 0.333 CB 1.544 13 residues pruned to eliminate duplicates Z: 20 38.949 2.200 1.100 0.894 0.947 0.579 CB 1.465 20 residues pruned to eliminate duplicates Z: 13 12.993 1.830 0.142 0.916 1.000 0.917 CA 1.267 13 residues pruned to eliminate duplicates Z: 6 6.057 1.603 0.265 0.591 1.000 0.600 CA 1.225 6 residues pruned to eliminate duplicates Z: 21 21.635 1.931 0.560 0.885 0.850 0.350 CB 1.364 21 residues pruned to eliminate duplicates Z: 9 10.527 1.771 0.415 0.786 0.875 0.750 CB 1.321 9 residues pruned to eliminate duplicates Z: 12 20.832 2.049 0.508 0.926 1.000 1.000 CB 1.425 12 residues pruned to eliminate duplicates Z: 13 18.838 2.070 0.249 0.878 1.000 0.833 CB 1.526 13 residues pruned to eliminate duplicates Z: 9 14.142 1.960 0.697 0.772 1.000 0.625 CB 1.182 9 residues pruned to eliminate duplicates Z: 32 30.805 2.169 0.840 0.751 0.839 0.677 CB 1.321 41 residues pruned to eliminate duplicates Z: 12 18.667 1.987 0.652 0.925 1.000 0.818 CB 1.203 12 residues pruned to eliminate duplicates Z: 13 19.090 1.953 0.868 0.899 0.833 0.500 CB 1.296 13 residues pruned to eliminate duplicates Z: 21 20.299 1.916 0.471 0.840 0.950 0.400 CB 1.265 21 residues pruned to eliminate duplicates Z: 17 28.617 2.070 0.737 0.920 0.938 0.875 CA 1.495 17 residues pruned to eliminate duplicates Z: 10 25.866 2.307 0.627 0.921 1.000 0.667 CB 1.616 10 residues pruned to eliminate duplicates Z: 17 34.947 2.007 1.030 0.944 0.938 0.375 CB 1.584 17 residues pruned to eliminate duplicates Z: 21 35.546 2.135 0.935 0.890 0.950 0.800 CB 1.457 21 residues pruned to eliminate duplicates Z: 18 26.723 1.962 0.865 0.916 0.882 0.294 CB 1.417 18 residues pruned to eliminate duplicates Z: 18 26.271 1.900 0.940 0.835 0.882 0.471 CB 1.467 18 residues pruned to eliminate duplicates Z: 10 5.502 1.960 0.408 0.388 0.667 0.444 CB 1.122 10 residues pruned to eliminate duplicates Z: 12 25.194 2.217 0.735 0.905 1.000 0.364 CB 1.406 12 residues pruned to eliminate duplicates Z: 23 11.888 1.975 0.493 0.469 0.682 0.409 CB 1.302 23 residues pruned to eliminate duplicates Z: 12 22.855 2.186 0.839 0.914 1.000 0.545 CB 1.212 12 residues pruned to eliminate duplicates Z: 17 16.929 1.918 0.265 0.906 1.000 0.875 CA 1.240 17 residues pruned to eliminate duplicates Z: 21 19.095 1.732 0.443 0.915 1.000 0.750 CB 1.207 21 residues pruned to eliminate duplicates Z: 17 28.983 2.038 0.650 0.926 1.000 0.875 CA 1.511 17 residues pruned to eliminate duplicates Z: 20 31.168 1.944 0.819 0.892 1.000 0.526 CB 1.453 20 residues pruned to eliminate duplicates Z: 12 18.174 2.083 0.337 0.898 1.000 0.818 CB 1.407 12 residues pruned to eliminate duplicates Z: 17 36.243 2.025 1.040 0.922 1.000 0.312 CB 1.543 17 residues pruned to eliminate duplicates Z: 12 19.319 2.073 0.386 0.855 1.000 0.818 CB 1.496 12 residues pruned to eliminate duplicates Z: 14 22.714 1.938 0.811 0.830 1.000 0.769 CB 1.349 14 residues pruned to eliminate duplicates Z: 20 20.528 1.920 0.423 0.898 0.895 0.421 CB 1.377 20 residues pruned to eliminate duplicates Z: 14 16.587 2.021 0.324 0.883 0.923 0.692 CA 1.347 14 residues pruned to eliminate duplicates Z: 18 22.525 1.951 0.352 0.916 1.000 0.765 CA 1.463 18 residues pruned to eliminate duplicates Z: 21 21.999 1.919 0.445 0.862 0.950 0.600 CB 1.371 21 residues pruned to eliminate duplicates Z: 36 23.074 1.944 0.665 0.574 0.857 0.543 CB 1.309 36 residues pruned to eliminate duplicates Z: 15 14.359 1.753 0.381 0.869 0.929 0.786 CA 1.247 15 residues pruned to eliminate duplicates Z: 8 11.000 1.774 0.377 0.816 1.000 0.571 CA 1.293 8 residues pruned to eliminate duplicates Z: 12 20.929 2.036 0.684 0.858 0.909 0.818 CB 1.491 12 residues pruned to eliminate duplicates Z: 61 41.138 2.037 0.601 0.736 0.933 0.583 CB 1.411 61 residues pruned to eliminate duplicates Z: 12 30.483 2.274 0.840 0.908 1.000 0.727 CB 1.560 12 residues pruned to eliminate duplicates Z: 17 31.171 2.032 0.824 0.932 1.000 0.875 CA 1.467 17 residues pruned to eliminate duplicates Z: 18 22.249 1.942 0.767 0.892 0.882 0.529 CB 1.281 18 residues pruned to eliminate duplicates Z: 21 20.877 1.919 0.460 0.873 0.850 0.500 CB 1.428 19 residues pruned to eliminate duplicates Z: 16 19.410 1.841 0.870 0.933 0.867 0.333 CB 1.172 17 residues pruned to eliminate duplicates Z: 14 16.492 1.807 0.867 0.929 1.000 0.615 CB 0.949 14 residues pruned to eliminate duplicates Z: 8 6.334 1.912 0.771 0.511 0.857 0.571 CB 0.816 8 residues pruned to eliminate duplicates Z: 15 20.335 1.955 0.649 0.800 0.929 0.857 CB 1.397 15 residues pruned to eliminate duplicates Z: 17 25.175 1.951 0.695 0.928 0.938 0.688 CA 1.421 17 residues pruned to eliminate duplicates Z: 21 23.649 1.894 0.690 0.846 0.950 0.450 CB 1.292 21 residues pruned to eliminate duplicates Z: 18 28.987 1.988 0.999 0.873 0.882 0.529 CB 1.461 18 residues pruned to eliminate duplicates Z: 18 16.985 1.970 0.363 0.872 0.882 0.765 CB 1.267 18 residues pruned to eliminate duplicates Z: 17 28.543 2.014 0.735 0.909 0.938 0.875 CA 1.545 17 residues pruned to eliminate duplicates Z: 19 33.772 2.269 0.646 0.920 1.000 0.833 CB 1.502 19 residues pruned to eliminate duplicates Z: 18 30.577 1.932 0.995 0.940 0.941 0.412 CA 1.419 18 residues pruned to eliminate duplicates Z: 65 42.140 2.057 0.626 0.743 0.922 0.547 CB 1.374 65 residues pruned to eliminate duplicates Z: 22 21.736 1.877 0.424 0.860 0.952 0.571 CB 1.370 22 residues pruned to eliminate duplicates Z: 18 15.165 1.876 0.237 0.880 0.941 0.529 CB 1.220 18 residues pruned to eliminate duplicates Z: 32 28.693 2.115 0.603 0.626 0.968 0.645 CB 1.395 32 residues pruned to eliminate duplicates Z: 13 26.538 2.029 0.817 0.909 1.000 0.917 CA 1.474 13 residues pruned to eliminate duplicates Z: 19 15.974 1.940 0.196 0.851 1.000 0.833 CA 1.202 19 residues pruned to eliminate duplicates Z: 13 30.991 2.120 0.911 0.913 1.000 0.833 CA 1.563 13 residues pruned to eliminate duplicates Z: 6 7.070 1.587 0.355 0.844 1.000 0.600 CB 1.094 Z: 18 17.976 1.785 0.543 0.881 1.000 0.824 CA 1.147 16 residues pruned to eliminate duplicates Z: 9 14.304 1.851 0.540 0.857 0.875 0.875 CA 1.494 9 residues pruned to eliminate duplicates Z: 14 22.853 1.950 0.660 0.902 1.000 0.846 CB 1.397 14 residues pruned to eliminate duplicates Z: 67 46.379 2.192 0.794 0.539 0.939 0.636 CB 1.487 73 residues pruned to eliminate duplicates Z: 16 29.404 2.032 0.770 0.910 1.000 0.800 CB 1.497 16 residues pruned to eliminate duplicates Z: 18 21.350 1.790 0.691 0.877 1.000 0.294 CA 1.243 18 residues pruned to eliminate duplicates Z: 14 24.073 2.000 0.830 0.947 0.923 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 14 8.809 1.575 0.509 0.878 0.923 0.692 CB 0.808 Z: 80 49.099 2.059 0.653 0.728 0.937 0.658 CB 1.411 80 residues pruned to eliminate duplicates Z: 19 15.142 1.859 0.246 0.888 0.889 0.722 CB 1.249 19 residues pruned to eliminate duplicates Z: 31 25.856 2.117 0.529 0.661 0.933 0.800 CA 1.346 31 residues pruned to eliminate duplicates Z: 7 6.628 1.769 0.277 0.720 0.833 0.833 CA 1.178 7 residues pruned to eliminate duplicates Z: 19 29.467 1.914 0.928 0.845 1.000 0.444 CB 1.400 19 residues pruned to eliminate duplicates Z: 18 28.806 1.963 0.832 0.925 0.941 0.882 CA 1.449 18 residues pruned to eliminate duplicates Z: 15 13.177 2.124 0.553 0.591 0.929 0.643 CB 1.054 15 residues pruned to eliminate duplicates Z: 8 7.852 1.933 0.448 0.463 0.857 0.571 CA 1.285 9 residues pruned to eliminate duplicates Z: 13 32.412 2.076 0.926 0.934 1.000 0.917 CB 1.632 13 residues pruned to eliminate duplicates Z: 9 9.841 2.027 0.425 0.734 0.875 0.625 CB 1.116 9 residues pruned to eliminate duplicates Z: 13 16.357 1.800 0.291 0.915 1.000 0.833 CB 1.436 13 residues pruned to eliminate duplicates Z: 31 24.339 2.105 0.705 0.507 0.900 0.667 CB 1.367 31 residues pruned to eliminate duplicates Z: 10 15.774 2.083 1.283 0.667 0.889 0.667 CB 1.066 10 residues pruned to eliminate duplicates Z: 16 32.388 2.022 0.971 0.942 1.000 0.400 CB 1.455 16 residues pruned to eliminate duplicates Z: 13 16.504 1.605 0.897 0.900 1.000 0.500 CB 1.118 14 residues pruned to eliminate duplicates Z: 20 38.438 2.182 1.050 0.870 1.000 0.474 CB 1.439 20 residues pruned to eliminate duplicates Z: 12 17.904 1.964 0.458 0.912 1.000 0.636 CB 1.335 13 residues pruned to eliminate duplicates Z: 33 31.262 2.052 0.608 0.578 1.000 0.719 CA 1.554 33 residues pruned to eliminate duplicates Z: 18 27.159 1.996 0.963 0.883 1.000 0.588 CA 1.216 18 residues pruned to eliminate duplicates Z: 13 24.185 2.021 0.749 0.879 1.000 0.833 CB 1.432 13 residues pruned to eliminate duplicates Z: 18 23.244 1.952 0.765 0.837 0.882 0.706 CA 1.388 18 residues pruned to eliminate duplicates Z: 20 26.327 1.969 0.800 0.893 0.895 0.421 CB 1.368 20 residues pruned to eliminate duplicates Z: 6 2.274 1.512 0.432 0.370 0.600 0.400 CB 0.900 Z: 16 20.351 1.899 0.684 0.878 0.867 0.600 CB 1.376 16 residues pruned to eliminate duplicates Z: 13 31.003 2.091 0.908 0.933 1.000 0.917 CA 1.566 13 residues pruned to eliminate duplicates Z: 33 30.035 1.957 0.567 0.751 0.938 0.656 CA 1.476 33 residues pruned to eliminate duplicates Z: 72 43.006 2.168 0.627 0.534 0.958 0.634 CB 1.462 72 residues pruned to eliminate duplicates Z: 69 35.067 2.142 0.517 0.539 0.912 0.603 CB 1.382 69 residues pruned to eliminate duplicates Z: 13 24.115 2.042 0.780 0.848 1.000 0.750 CB 1.421 13 residues pruned to eliminate duplicates Z: 18 20.878 1.951 0.433 0.848 0.941 0.647 CB 1.427 18 residues pruned to eliminate duplicates Z: 18 22.529 1.994 0.562 0.863 1.000 0.706 CA 1.287 18 residues pruned to eliminate duplicates Z: 7 4.294 1.515 0.572 0.493 0.833 0.500 N 0.889 Z: 18 17.962 1.872 0.140 0.885 1.000 0.882 CB 1.474 18 residues pruned to eliminate duplicates Z: 18 18.973 2.017 0.308 0.879 1.000 0.765 CA 1.264 18 residues pruned to eliminate duplicates Z: 10 9.296 1.746 0.456 0.399 1.000 0.444 CA 1.356 4 residues pruned to eliminate duplicates Z: 113 54.353 2.176 0.677 0.589 0.920 0.661 CB 1.405 113 residues pruned to eliminate duplicates Z: 17 27.675 1.992 0.849 0.898 0.938 0.562 CA 1.434 17 residues pruned to eliminate duplicates Z: 19 12.680 1.945 0.639 0.401 0.778 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 14 17.049 2.033 0.523 0.903 0.923 0.692 CB 1.179 14 residues pruned to eliminate duplicates Z: 6 3.831 1.759 1.159 0.489 0.800 0.800 CB 0.570 Z: 10 9.435 1.678 0.299 0.520 1.000 0.778 CA 1.415 Z: 13 15.827 2.080 0.313 0.827 0.917 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 15 13.980 1.703 0.705 0.913 0.857 0.357 CB 1.062 15 residues pruned to eliminate duplicates Z: 24 13.921 2.081 0.265 0.507 0.913 0.696 CB 1.199 24 residues pruned to eliminate duplicates Z: 26 35.833 2.242 0.627 0.769 0.960 0.800 CA 1.612 36 residues pruned to eliminate duplicates Z: 18 17.595 1.868 0.268 0.914 1.000 0.882 CA 1.274 18 residues pruned to eliminate duplicates Z: 16 25.800 1.905 0.905 0.886 1.000 0.400 CB 1.324 15 residues pruned to eliminate duplicates Z: 13 24.962 2.025 0.713 0.904 1.000 0.667 CA 1.479 13 residues pruned to eliminate duplicates Z: 21 22.232 1.880 0.318 0.886 1.000 0.800 CB 1.448 21 residues pruned to eliminate duplicates Z: 12 12.018 1.885 0.192 0.841 0.909 0.364 CA 1.322 12 residues pruned to eliminate duplicates Z: 12 20.133 2.039 0.376 0.884 1.000 0.909 CA 1.564 12 residues pruned to eliminate duplicates Z: 16 16.743 1.783 0.784 0.938 0.867 0.467 CB 1.091 15 residues pruned to eliminate duplicates Z: 17 35.044 2.079 1.193 0.915 1.000 0.562 CB 1.358 17 residues pruned to eliminate duplicates Z: 117 57.913 2.110 0.694 0.620 0.957 0.621 CB 1.404 117 residues pruned to eliminate duplicates Z: 34 22.566 2.004 0.538 0.553 0.909 0.576 CB 1.332 34 residues pruned to eliminate duplicates Z: 62 43.578 2.061 0.672 0.780 0.918 0.574 CB 1.378 62 residues pruned to eliminate duplicates Z: 14 11.334 1.786 0.394 0.441 0.923 0.615 CA 1.454 Z: 17 19.343 1.825 0.601 0.886 1.000 0.438 CA 1.194 17 residues pruned to eliminate duplicates Z: 118 64.377 2.048 0.853 0.662 0.940 0.504 CB 1.435 117 residues pruned to eliminate duplicates Z: 98 56.767 2.102 0.780 0.638 0.959 0.598 CB 1.413 106 residues pruned to eliminate duplicates Z: 11 3.861 1.554 0.559 0.153 0.700 0.400 CA 1.103 11 residues pruned to eliminate duplicates Z: 17 19.234 1.860 0.496 0.883 1.000 0.688 CA 1.250 17 residues pruned to eliminate duplicates Z: 7 3.665 1.620 0.282 0.433 0.833 0.333 CB 0.926 Z: 20 39.671 2.212 0.974 0.913 1.000 0.684 CB 1.475 20 residues pruned to eliminate duplicates Z: 41 25.682 2.118 0.512 0.472 0.925 0.575 CB 1.410 41 residues pruned to eliminate duplicates Z: 46 36.544 2.029 0.702 0.795 0.911 0.622 CB 1.337 46 residues pruned to eliminate duplicates Z: 18 16.974 1.947 0.169 0.902 0.941 0.882 CA 1.372 18 residues pruned to eliminate duplicates Z: 21 24.505 2.115 0.469 0.865 0.900 0.750 CB 1.435 21 residues pruned to eliminate duplicates Z: 12 18.179 2.005 0.537 0.934 1.000 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 13 23.145 1.965 0.818 0.864 0.917 0.667 CB 1.495 13 residues pruned to eliminate duplicates Z: 79 51.434 2.086 0.732 0.760 0.936 0.615 CB 1.367 79 residues pruned to eliminate duplicates Z: 18 20.848 1.952 0.585 0.845 0.941 0.529 CB 1.291 18 residues pruned to eliminate duplicates Z: 8 6.050 2.127 0.517 0.407 0.714 0.429 CB 1.094 8 residues pruned to eliminate duplicates Z: 9 12.616 1.918 0.374 0.830 1.000 0.750 CB 1.272 9 residues pruned to eliminate duplicates Z: 13 13.126 2.228 0.516 0.512 0.833 0.417 CB 1.330 13 residues pruned to eliminate duplicates Z: 10 5.137 1.562 0.163 0.540 1.000 0.778 CB 0.907 Z: 12 22.792 2.042 0.899 0.879 1.000 0.727 CB 1.285 12 residues pruned to eliminate duplicates Z: 9 7.717 1.832 0.513 0.417 0.750 0.500 CB 1.432 Z: 58 43.022 2.182 0.641 0.569 0.982 0.596 CB 1.516 58 residues pruned to eliminate duplicates Z: 18 14.433 1.930 0.223 0.908 0.882 0.647 CB 1.194 18 residues pruned to eliminate duplicates Z: 7 3.469 1.636 -0.169 0.579 0.833 0.667 N 1.160 Z: 13 17.044 2.042 0.375 0.856 0.917 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 13 27.817 2.129 0.937 0.909 0.917 0.667 CB 1.508 13 residues pruned to eliminate duplicates Z: 23 11.140 1.896 0.424 0.341 0.818 0.545 CB 1.278 23 residues pruned to eliminate duplicates Z: 73 38.846 2.143 0.588 0.530 0.931 0.667 CB 1.404 73 residues pruned to eliminate duplicates Z: 14 17.483 1.966 0.376 0.787 1.000 0.923 CA 1.393 14 residues pruned to eliminate duplicates Z: 12 26.819 2.018 0.807 0.921 1.000 0.818 CA 1.561 12 residues pruned to eliminate duplicates Z: 21 19.196 1.873 0.296 0.868 0.950 0.700 CB 1.360 21 residues pruned to eliminate duplicates Z: 19 19.254 2.004 0.305 0.865 0.944 0.722 CA 1.346 19 residues pruned to eliminate duplicates Z: 30 24.851 2.056 0.668 0.650 0.931 0.724 CB 1.257 30 residues pruned to eliminate duplicates Z: 13 21.271 1.875 0.680 0.872 1.000 0.833 CA 1.421 13 residues pruned to eliminate duplicates Z: 16 25.388 1.997 0.632 0.916 1.000 0.867 CA 1.421 16 residues pruned to eliminate duplicates Z: 31 26.374 2.094 0.602 0.627 0.933 0.700 CA 1.364 31 residues pruned to eliminate duplicates Z: 11 12.754 1.945 0.333 0.721 0.900 0.900 CA 1.416 11 residues pruned to eliminate duplicates Z: 14 12.296 1.963 0.192 0.764 0.923 0.692 CA 1.249 14 residues pruned to eliminate duplicates Z: 24 18.345 1.827 1.058 0.559 0.826 0.522 CB 1.163 24 residues pruned to eliminate duplicates Z: 8 8.825 2.003 -0.044 0.897 1.000 1.000 CB 1.246 8 residues pruned to eliminate duplicates Z: 33 25.720 2.051 0.600 0.582 0.938 0.594 CB 1.366 33 residues pruned to eliminate duplicates Z: 17 10.635 1.630 0.414 0.782 0.938 0.625 CB 0.960 14 residues pruned to eliminate duplicates Z: 10 4.968 1.579 0.153 0.514 0.889 0.667 CB 1.010 10 residues pruned to eliminate duplicates Z: 17 33.622 2.258 0.835 0.870 0.938 0.625 CB 1.579 17 residues pruned to eliminate duplicates Z: 14 14.137 1.904 0.318 0.846 0.923 0.692 CB 1.258 14 residues pruned to eliminate duplicates Z: 14 18.117 1.792 0.689 0.872 1.000 0.769 CA 1.209 14 residues pruned to eliminate duplicates Z: 11 6.959 1.541 0.667 0.713 0.800 0.500 CB 0.883 11 residues pruned to eliminate duplicates Z: 21 16.938 1.812 0.178 0.849 1.000 0.800 CB 1.315 21 residues pruned to eliminate duplicates Z: 21 32.737 2.212 0.757 0.841 0.900 0.800 CA 1.561 21 residues pruned to eliminate duplicates Z: 6 9.079 1.729 0.760 0.854 1.000 0.400 CB 0.985 6 residues pruned to eliminate duplicates Z: 15 10.078 1.544 0.476 0.879 1.000 0.714 CB 0.857 14 residues pruned to eliminate duplicates Z: 6 6.204 1.814 0.300 0.733 0.800 0.600 CB 1.193 6 residues pruned to eliminate duplicates Z: 35 28.694 1.945 0.750 0.691 0.853 0.529 CB 1.423 35 residues pruned to eliminate duplicates Z: 12 11.098 1.942 0.115 0.870 0.909 0.909 CB 1.241 12 residues pruned to eliminate duplicates Z: 17 25.298 2.034 0.686 0.911 1.000 0.875 CA 1.307 17 residues pruned to eliminate duplicates Z: 20 17.193 1.854 0.094 0.882 1.000 0.737 CA 1.407 20 residues pruned to eliminate duplicates Z: 16 16.299 1.946 0.414 0.870 0.933 0.867 CA 1.196 16 residues pruned to eliminate duplicates Z: 31 28.150 2.067 0.727 0.596 0.933 0.667 CB 1.407 30 residues pruned to eliminate duplicates Z: 17 14.661 2.052 0.176 0.500 0.938 0.688 CB 1.619 17 residues pruned to eliminate duplicates Z: 27 23.934 2.003 0.504 0.561 0.962 0.731 CB 1.527 27 residues pruned to eliminate duplicates Z: 65 40.774 1.968 0.709 0.734 0.891 0.594 CB 1.379 65 residues pruned to eliminate duplicates 7 1.934 1.444 0.669 0.250 0.667 0.500 CB 0.655 ? Z: 13 7.561 1.589 0.612 0.495 0.833 0.583 CB 1.028 12 residues pruned to eliminate duplicates Z: 10 5.022 1.576 0.525 0.581 0.889 0.333 CB 0.724 10 residues pruned to eliminate duplicates Z: 19 26.130 1.880 1.039 0.948 0.889 0.500 CB 1.248 19 residues pruned to eliminate duplicates Z: 30 25.802 2.039 0.442 0.537 0.966 0.552 CB 1.626 30 residues pruned to eliminate duplicates Z: 45 28.672 2.087 0.612 0.698 0.886 0.614 CB 1.210 45 residues pruned to eliminate duplicates Z: 21 23.637 1.905 0.638 0.908 0.950 0.300 CB 1.267 21 residues pruned to eliminate duplicates Z: 21 25.626 1.931 0.664 0.788 1.000 0.400 CB 1.385 21 residues pruned to eliminate duplicates 6 1.175 1.583 0.451 0.518 0.800 0.400 CB 0.281 ? Z: 11 5.599 1.747 0.652 0.285 0.800 0.500 CB 0.976 10 residues pruned to eliminate duplicates Z: 12 6.993 1.707 0.168 0.864 0.909 0.818 CB 0.853 12 residues pruned to eliminate duplicates Z: 40 32.506 2.113 0.658 0.757 0.923 0.667 CB 1.281 40 residues pruned to eliminate duplicates Z: 12 19.979 2.051 0.680 0.893 0.909 0.727 CB 1.380 12 residues pruned to eliminate duplicates Z: 19 37.670 2.263 1.060 0.885 0.944 0.611 CB 1.456 19 residues pruned to eliminate duplicates Z: 12 15.577 2.022 0.179 0.899 1.000 0.909 CA 1.408 12 residues pruned to eliminate duplicates Z: 9 15.314 2.046 0.511 0.871 1.000 0.500 CB 1.278 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 7.511 2.094 0.750 0.397 1.000 1.000 CB 1.022 6 residues pruned to eliminate duplicates Z: 13 10.230 1.900 0.483 0.271 1.000 0.417 CA 1.360 12 residues pruned to eliminate duplicates Z: 7 8.906 2.071 0.286 0.455 1.000 0.500 CB 1.430 7 residues pruned to eliminate duplicates Z: 16 12.435 2.044 0.519 0.336 0.867 0.467 CA 1.427 16 residues pruned to eliminate duplicates Z: 32 27.512 2.126 0.655 0.585 0.935 0.581 CB 1.383 32 residues pruned to eliminate duplicates Z: 34 29.775 2.029 0.733 0.594 1.000 0.667 CB 1.348 34 residues pruned to eliminate duplicates Z: 7 3.002 1.933 0.272 0.467 0.833 0.833 CA 0.619 7 residues pruned to eliminate duplicates Z: 32 28.315 2.111 0.710 0.622 0.935 0.742 CA 1.342 32 residues pruned to eliminate duplicates Z: 31 23.015 2.076 0.563 0.612 0.900 0.633 CB 1.293 32 residues pruned to eliminate duplicates Z: 19 30.114 2.109 0.991 0.799 0.944 0.778 CA 1.377 19 residues pruned to eliminate duplicates Z: 33 26.731 2.042 0.676 0.577 0.969 0.531 CA 1.324 33 residues pruned to eliminate duplicates Z: 32 29.044 2.122 0.642 0.608 0.968 0.710 CB 1.397 32 residues pruned to eliminate duplicates Z: 84 42.094 2.017 0.684 0.531 0.952 0.627 CB 1.387 103 residues pruned to eliminate duplicates Z: 17 25.311 2.047 0.839 0.877 0.938 0.812 CA 1.302 17 residues pruned to eliminate duplicates Z: 31 27.825 2.104 0.804 0.616 0.933 0.733 CB 1.285 31 residues pruned to eliminate duplicates Z: 17 31.768 2.082 0.981 0.908 1.000 0.875 CB 1.368 17 residues pruned to eliminate duplicates Z: 43 34.498 2.042 0.688 0.600 0.976 0.714 CB 1.439 43 residues pruned to eliminate duplicates Z: 32 26.112 2.078 0.667 0.622 0.935 0.806 CB 1.290 32 residues pruned to eliminate duplicates Z: 32 32.253 2.109 0.796 0.645 0.968 0.677 CB 1.380 32 residues pruned to eliminate duplicates Z: 15 28.171 2.116 0.968 0.879 0.929 0.857 CA 1.412 15 residues pruned to eliminate duplicates Z: 33 27.004 2.006 0.855 0.603 0.906 0.531 CA 1.283 33 residues pruned to eliminate duplicates Z: 32 24.561 2.057 0.740 0.600 0.903 0.742 CB 1.240 32 residues pruned to eliminate duplicates Z: 19 28.357 2.111 1.019 0.792 0.889 0.722 CA 1.365 19 residues pruned to eliminate duplicates Z: 18 28.525 2.003 1.042 0.873 0.941 0.412 CB 1.309 18 residues pruned to eliminate duplicates Z: 33 31.700 2.089 0.847 0.591 0.938 0.406 CB 1.419 33 residues pruned to eliminate duplicates Z: 17 34.148 2.092 1.224 0.899 0.938 0.625 CB 1.399 17 residues pruned to eliminate duplicates Z: 31 22.668 1.863 0.489 0.702 0.933 0.700 CA 1.330 31 residues pruned to eliminate duplicates Z: 19 24.157 1.975 0.636 0.818 0.944 0.722 CA 1.416 20 residues pruned to eliminate duplicates Z: 18 26.489 1.961 0.801 0.864 0.941 0.824 CA 1.417 19 residues pruned to eliminate duplicates Z: 17 24.996 1.994 0.717 0.903 0.938 0.625 CA 1.388 17 residues pruned to eliminate duplicates Z: 21 22.816 1.827 0.646 0.817 0.950 0.550 CA 1.356 21 residues pruned to eliminate duplicates Z: 18 24.588 2.007 0.681 0.835 0.882 0.647 CA 1.501 18 residues pruned to eliminate duplicates Z: 19 25.310 1.935 0.869 0.822 0.889 0.500 CB 1.404 19 residues pruned to eliminate duplicates Z: 18 29.921 1.901 0.915 0.891 1.000 0.529 CA 1.433 18 residues pruned to eliminate duplicates Z: 20 26.244 1.919 0.918 0.796 0.895 0.474 CA 1.411 20 residues pruned to eliminate duplicates Z: 17 29.157 1.987 1.049 0.861 0.938 0.375 CB 1.402 17 residues pruned to eliminate duplicates Z: 19 28.920 1.941 1.002 0.840 0.944 0.500 CB 1.386 19 residues pruned to eliminate duplicates Z: 57 35.355 1.935 0.675 0.730 0.929 0.571 CB 1.276 57 residues pruned to eliminate duplicates Z: 19 29.677 1.973 1.031 0.839 0.889 0.444 CB 1.467 19 residues pruned to eliminate duplicates Z: 27 23.293 1.863 0.807 0.740 0.885 0.423 CB 1.237 28 residues pruned to eliminate duplicates Z: 17 33.492 1.957 1.124 0.926 1.000 0.438 CA 1.412 17 residues pruned to eliminate duplicates Z: 30 20.786 2.023 0.348 0.495 0.966 0.655 CB 1.474 30 residues pruned to eliminate duplicates Z: 12 8.673 1.806 0.265 0.362 1.000 0.455 CB 1.327 12 residues pruned to eliminate duplicates Z: 44 30.018 2.098 0.464 0.498 0.953 0.558 CB 1.566 44 residues pruned to eliminate duplicates Z: 45 34.893 2.017 0.674 0.573 0.977 0.591 CB 1.486 45 residues pruned to eliminate duplicates Z: 44 26.379 2.072 0.371 0.496 0.930 0.581 CB 1.529 44 residues pruned to eliminate duplicates Z: 55 30.534 2.005 0.510 0.525 0.926 0.648 CB 1.447 55 residues pruned to eliminate duplicates Z: 74 39.064 2.058 0.621 0.572 0.918 0.671 CB 1.393 74 residues pruned to eliminate duplicates Z: 28 23.454 2.076 0.533 0.514 0.926 0.630 CB 1.511 28 residues pruned to eliminate duplicates Z: 44 32.937 2.020 0.626 0.569 1.000 0.721 CB 1.430 44 residues pruned to eliminate duplicates Z: 34 23.621 1.967 0.547 0.494 0.970 0.545 CB 1.403 34 residues pruned to eliminate duplicates Z: 45 30.293 2.021 0.558 0.501 0.955 0.545 CB 1.518 45 residues pruned to eliminate duplicates Z: 34 18.978 1.963 0.378 0.483 0.939 0.545 CB 1.322 34 residues pruned to eliminate duplicates Z: 25 15.084 2.015 0.284 0.394 0.958 0.667 CB 1.389 25 residues pruned to eliminate duplicates Z: 48 21.039 1.980 0.252 0.433 0.894 0.574 CB 1.485 48 residues pruned to eliminate duplicates Z: 54 27.332 2.048 0.466 0.457 0.943 0.566 CB 1.385 54 residues pruned to eliminate duplicates Z: 37 29.194 2.099 0.522 0.542 0.944 0.722 CB 1.549 37 residues pruned to eliminate duplicates Z: 58 32.316 2.012 0.565 0.515 0.947 0.579 CB 1.413 58 residues pruned to eliminate duplicates Z: 67 33.084 2.025 0.450 0.632 0.924 0.621 CB 1.326 67 residues pruned to eliminate duplicates Z: 59 32.264 2.098 0.547 0.540 0.879 0.552 CB 1.427 59 residues pruned to eliminate duplicates Z: 28 22.262 1.976 0.601 0.484 0.889 0.593 CB 1.548 28 residues pruned to eliminate duplicates Z: 37 28.272 2.030 0.562 0.496 0.944 0.694 CB 1.580 37 residues pruned to eliminate duplicates Z: 42 30.031 2.088 0.488 0.477 1.000 0.585 CB 1.544 42 residues pruned to eliminate duplicates Z: 43 31.242 2.078 0.553 0.495 0.976 0.619 CB 1.536 43 residues pruned to eliminate duplicates Z: 32 24.330 1.998 0.468 0.548 1.000 0.516 CB 1.422 32 residues pruned to eliminate duplicates Z: 48 28.402 2.062 0.544 0.511 0.915 0.617 CB 1.407 48 residues pruned to eliminate duplicates Z: 43 30.067 2.085 0.477 0.527 0.952 0.500 CB 1.541 43 residues pruned to eliminate duplicates Z: 48 32.289 2.130 0.532 0.520 0.936 0.553 CB 1.511 48 residues pruned to eliminate duplicates Z: 39 32.636 2.037 0.659 0.497 0.974 0.579 CB 1.614 39 residues pruned to eliminate duplicates Z: 45 29.213 2.034 0.530 0.540 0.932 0.659 CB 1.460 45 residues pruned to eliminate duplicates Z: 44 27.813 2.034 0.453 0.504 0.977 0.558 CB 1.463 44 residues pruned to eliminate duplicates Z: 48 30.626 2.068 0.535 0.476 0.957 0.553 CB 1.507 48 residues pruned to eliminate duplicates Z: 37 30.178 2.068 0.584 0.505 1.000 0.722 CB 1.527 37 residues pruned to eliminate duplicates Z: 36 30.420 2.093 0.539 0.528 1.000 0.600 CB 1.552 36 residues pruned to eliminate duplicates Z: 68 30.389 2.008 0.610 0.435 0.910 0.448 CB 1.349 68 residues pruned to eliminate duplicates Z: 17 15.977 2.053 0.493 0.422 0.875 0.562 CB 1.616 17 residues pruned to eliminate duplicates Z: 39 27.766 2.021 0.478 0.503 0.947 0.632 CB 1.588 39 residues pruned to eliminate duplicates Z: 98 46.796 2.059 0.590 0.651 0.918 0.536 CB 1.374 98 residues pruned to eliminate duplicates Z: 12 17.350 2.166 0.679 0.505 0.909 0.909 CB 1.575 12 residues pruned to eliminate duplicates Z: 56 33.142 2.112 0.553 0.525 0.945 0.491 CB 1.406 56 residues pruned to eliminate duplicates Z: 56 35.994 2.094 0.646 0.555 0.945 0.473 CB 1.412 56 residues pruned to eliminate duplicates Z: 28 22.412 2.125 0.566 0.550 0.926 0.556 CB 1.334 28 residues pruned to eliminate duplicates Z: 48 33.566 2.122 0.600 0.563 0.936 0.489 CB 1.449 48 residues pruned to eliminate duplicates Z: 48 33.043 2.078 0.674 0.560 0.957 0.511 CB 1.365 48 residues pruned to eliminate duplicates Z: 18 10.343 1.987 0.328 0.499 0.882 0.471 CB 1.079 Z: 8 14.734 2.102 0.652 0.805 1.000 0.714 CB 1.229 10 residues pruned to eliminate duplicates Z: 8 10.332 2.152 0.183 0.760 1.000 0.429 CB 1.217 8 residues pruned to eliminate duplicates Z: 56 29.140 2.079 0.612 0.504 0.873 0.473 CB 1.337 72 residues pruned to eliminate duplicates Z: 18 13.897 1.976 0.604 0.618 0.882 0.412 CB 1.078 Z: 16 12.722 2.105 0.437 0.645 0.733 0.467 CB 1.294 15 residues pruned to eliminate duplicates Z: 12 8.233 1.595 0.361 0.875 0.909 0.818 CB 0.915 12 residues pruned to eliminate duplicates Z: 14 6.906 1.620 0.233 0.728 0.923 0.692 CB 0.846 14 residues pruned to eliminate duplicates Z: 13 9.353 1.672 0.435 0.789 0.917 0.583 CB 0.952 13 residues pruned to eliminate duplicates Z: 14 8.586 1.659 0.553 0.830 0.923 0.615 CB 0.753 16 residues pruned to eliminate duplicates Z: 13 11.225 1.693 0.590 0.865 0.917 0.750 CB 0.962 13 residues pruned to eliminate duplicates Z: 13 10.936 1.721 0.379 0.907 1.000 0.750 CB 0.946 13 residues pruned to eliminate duplicates Z: 13 10.141 1.612 0.648 0.755 0.917 0.750 CB 0.958 13 residues pruned to eliminate duplicates Z: 14 9.227 1.604 0.602 0.847 0.923 0.769 CB 0.801 14 residues pruned to eliminate duplicates Z: 12 9.454 1.707 0.318 0.903 1.000 0.727 CB 0.902 12 residues pruned to eliminate duplicates Z: 13 8.862 1.641 0.279 0.813 1.000 0.750 CB 0.928 13 residues pruned to eliminate duplicates Z: 18 26.575 2.033 0.861 0.858 0.882 0.765 CA 1.421 18 residues pruned to eliminate duplicates Z: 19 28.384 2.019 0.822 0.836 0.944 0.722 CA 1.442 19 residues pruned to eliminate duplicates Z: 18 30.762 2.031 0.914 0.882 0.941 0.882 CA 1.476 18 residues pruned to eliminate duplicates Z: 33 32.611 2.014 0.582 0.761 0.969 0.719 CA 1.481 33 residues pruned to eliminate duplicates Z: 33 31.747 2.044 0.630 0.764 0.906 0.750 CA 1.470 33 residues pruned to eliminate duplicates Z: 18 27.310 2.040 0.827 0.872 0.882 0.765 CA 1.469 18 residues pruned to eliminate duplicates Z: 32 30.081 2.024 0.597 0.772 0.903 0.613 CA 1.454 32 residues pruned to eliminate duplicates Z: 17 36.885 2.057 1.006 0.940 1.000 0.875 CA 1.551 17 residues pruned to eliminate duplicates Z: 19 27.386 2.010 0.930 0.822 0.889 0.667 CA 1.416 19 residues pruned to eliminate duplicates Z: 32 33.366 2.055 0.604 0.763 0.935 0.806 CA 1.539 32 residues pruned to eliminate duplicates Z: 18 26.906 1.951 0.963 0.841 0.882 0.647 CA 1.440 18 residues pruned to eliminate duplicates Z: 21 22.648 1.912 0.817 0.732 0.900 0.650 CA 1.315 21 residues pruned to eliminate duplicates Z: 34 32.791 2.038 0.645 0.731 0.939 0.636 CA 1.472 34 residues pruned to eliminate duplicates Z: 32 34.541 2.083 0.593 0.766 0.968 0.710 CA 1.526 32 residues pruned to eliminate duplicates Z: 32 35.717 2.057 0.588 0.764 1.000 0.484 CA 1.553 32 residues pruned to eliminate duplicates Z: 33 34.045 2.066 0.619 0.749 0.938 0.656 CA 1.537 33 residues pruned to eliminate duplicates Z: 31 33.903 2.074 0.632 0.762 0.967 0.800 CA 1.499 31 residues pruned to eliminate duplicates Z: 33 32.692 2.059 0.637 0.737 0.938 0.656 CA 1.479 33 residues pruned to eliminate duplicates Z: 33 31.229 2.010 0.602 0.752 0.906 0.531 CB 1.511 33 residues pruned to eliminate duplicates Z: 34 35.281 2.011 0.717 0.727 0.970 0.545 CA 1.495 34 residues pruned to eliminate duplicates Z: 18 12.629 1.987 0.288 0.574 0.824 0.412 CA 1.353 18 residues pruned to eliminate duplicates Z: 32 34.359 2.058 0.767 0.759 0.903 0.581 CB 1.493 32 residues pruned to eliminate duplicates Z: 33 34.124 2.051 0.705 0.733 0.938 0.562 CB 1.492 33 residues pruned to eliminate duplicates Z: 33 36.824 2.056 0.882 0.737 0.906 0.500 CB 1.501 33 residues pruned to eliminate duplicates Z: 31 23.367 1.976 0.592 0.645 0.867 0.300 CB 1.366 31 residues pruned to eliminate duplicates Z: 33 37.811 2.083 0.725 0.744 0.969 0.500 CA 1.544 33 residues pruned to eliminate duplicates Z: 15 12.458 2.004 0.396 0.589 0.857 0.429 CB 1.276 15 residues pruned to eliminate duplicates Z: 38 31.238 1.954 0.664 0.675 0.946 0.405 CB 1.421 38 residues pruned to eliminate duplicates Z: 59 37.171 2.041 0.611 0.741 0.897 0.569 CB 1.333 59 residues pruned to eliminate duplicates Z: 60 39.981 2.062 0.614 0.756 0.881 0.593 CB 1.412 60 residues pruned to eliminate duplicates Z: 65 39.682 1.998 0.618 0.714 0.906 0.562 CB 1.396 65 residues pruned to eliminate duplicates Z: 58 39.029 2.046 0.555 0.737 0.912 0.526 CB 1.439 58 residues pruned to eliminate duplicates Z: 117 55.432 2.038 0.608 0.674 0.940 0.629 CB 1.424 117 residues pruned to eliminate duplicates Z: 49 29.914 2.063 0.469 0.710 0.917 0.583 CB 1.285 49 residues pruned to eliminate duplicates Z: 44 28.899 2.052 0.502 0.702 0.884 0.535 CB 1.346 44 residues pruned to eliminate duplicates Z: 65 46.160 2.074 0.668 0.751 0.938 0.562 CB 1.422 65 residues pruned to eliminate duplicates Z: 122 53.900 2.070 0.596 0.647 0.901 0.587 CB 1.435 122 residues pruned to eliminate duplicates Z: 61 40.725 2.023 0.637 0.736 0.917 0.500 CB 1.401 61 residues pruned to eliminate duplicates Z: 64 51.042 2.108 0.737 0.786 0.968 0.619 CB 1.411 64 residues pruned to eliminate duplicates Z: 65 51.768 2.106 0.655 0.795 0.969 0.625 CB 1.480 65 residues pruned to eliminate duplicates Z: 46 32.943 2.043 0.476 0.743 0.933 0.644 CB 1.404 46 residues pruned to eliminate duplicates Z: 63 39.420 2.010 0.677 0.738 0.919 0.645 CB 1.305 63 residues pruned to eliminate duplicates Z: 65 44.375 2.092 0.649 0.777 0.922 0.594 CB 1.366 65 residues pruned to eliminate duplicates Z: 55 37.638 2.108 0.570 0.738 0.907 0.685 CB 1.378 55 residues pruned to eliminate duplicates Z: 37 29.881 2.055 0.535 0.753 0.944 0.667 CB 1.334 37 residues pruned to eliminate duplicates Z: 20 17.409 1.990 0.604 0.601 0.789 0.632 CB 1.439 20 residues pruned to eliminate duplicates Z: 78 53.349 2.092 0.763 0.748 0.935 0.506 CB 1.412 78 residues pruned to eliminate duplicates Z: 50 31.041 2.039 0.441 0.713 0.939 0.531 CB 1.325 50 residues pruned to eliminate duplicates Z: 40 27.458 2.043 0.461 0.712 0.897 0.641 CB 1.355 40 residues pruned to eliminate duplicates Z: 65 48.666 2.097 0.676 0.778 0.953 0.688 CB 1.421 65 residues pruned to eliminate duplicates Z: 65 43.386 2.078 0.538 0.733 0.969 0.516 CB 1.421 65 residues pruned to eliminate duplicates Z: 60 40.082 2.049 0.550 0.761 0.949 0.576 CB 1.373 60 residues pruned to eliminate duplicates Z: 65 40.866 2.081 0.658 0.751 0.859 0.578 CB 1.377 65 residues pruned to eliminate duplicates Z: 66 43.333 2.084 0.565 0.767 0.938 0.646 CB 1.386 66 residues pruned to eliminate duplicates Z: 65 44.881 2.077 0.638 0.767 0.969 0.547 CB 1.344 65 residues pruned to eliminate duplicates Z: 65 47.021 2.088 0.691 0.781 0.953 0.656 CB 1.363 65 residues pruned to eliminate duplicates Z: 78 51.306 2.107 0.663 0.756 0.935 0.597 CB 1.421 78 residues pruned to eliminate duplicates Z: 54 35.103 2.106 0.562 0.753 0.887 0.698 CB 1.318 54 residues pruned to eliminate duplicates Z: 41 32.188 2.095 0.528 0.772 0.975 0.725 CB 1.282 41 residues pruned to eliminate duplicates Z: 21 20.624 2.071 0.462 0.706 0.950 0.700 CB 1.329 21 residues pruned to eliminate duplicates Z: 42 31.442 2.091 0.553 0.757 0.902 0.659 CB 1.333 42 residues pruned to eliminate duplicates Z: 46 34.431 2.096 0.575 0.759 0.933 0.644 CB 1.324 46 residues pruned to eliminate duplicates Z: 83 41.015 2.086 0.537 0.570 0.902 0.659 CB 1.463 83 residues pruned to eliminate duplicates Z: 66 37.510 2.060 0.538 0.679 0.923 0.677 CB 1.349 66 residues pruned to eliminate duplicates Z: 13 19.594 2.053 0.707 0.756 0.833 0.667 CA 1.542 13 residues pruned to eliminate duplicates Z: 14 16.444 1.980 0.608 0.697 0.846 0.615 CB 1.415 14 residues pruned to eliminate duplicates Z: 25 17.194 1.964 0.510 0.525 0.875 0.583 CB 1.318 25 residues pruned to eliminate duplicates Z: 24 22.329 1.979 0.759 0.615 0.913 0.739 CB 1.314 24 residues pruned to eliminate duplicates Z: 58 33.754 2.036 0.465 0.566 0.930 0.632 CB 1.514 58 residues pruned to eliminate duplicates Z: 57 30.085 1.995 0.558 0.587 0.911 0.661 CB 1.306 57 residues pruned to eliminate duplicates Z: 52 28.898 1.988 0.535 0.560 0.882 0.588 CB 1.417 52 residues pruned to eliminate duplicates Z: 17 20.229 1.861 0.891 0.688 0.875 0.688 CB 1.382 17 residues pruned to eliminate duplicates Z: 14 21.591 2.045 0.838 0.705 0.846 0.615 CA 1.562 14 residues pruned to eliminate duplicates Z: 13 26.639 2.102 1.017 0.770 0.917 0.583 CA 1.558 13 residues pruned to eliminate duplicates Z: 8 8.746 2.013 0.402 0.368 0.857 0.429 CA 1.574 8 residues pruned to eliminate duplicates Z: 102 48.985 2.061 0.672 0.607 0.901 0.584 CB 1.418 102 residues pruned to eliminate duplicates Z: 74 47.475 2.158 0.788 0.570 0.945 0.603 CB 1.425 74 residues pruned to eliminate duplicates Z: 66 47.272 2.149 0.881 0.544 0.969 0.662 CB 1.434 66 residues pruned to eliminate duplicates Z: 57 35.311 2.104 0.792 0.530 0.893 0.518 CB 1.361 57 residues pruned to eliminate duplicates Z: 14 4.946 1.785 0.782 0.248 0.769 0.462 CB 0.750 14 residues pruned to eliminate duplicates Z: 17 7.987 1.931 0.375 0.295 0.812 0.438 CB 1.165 17 residues pruned to eliminate duplicates Z: 94 49.001 2.103 0.706 0.522 0.935 0.634 CB 1.481 94 residues pruned to eliminate duplicates Z: 36 22.649 1.917 0.533 0.530 0.943 0.686 CA 1.342 36 residues pruned to eliminate duplicates Z: 25 19.056 1.855 0.560 0.681 0.917 0.708 CA 1.242 18 residues pruned to eliminate duplicates Z: 6 3.827 1.383 0.643 0.476 0.800 0.400 CA 0.965 8 residues pruned to eliminate duplicates Z: 6 4.659 1.595 0.546 0.437 0.800 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 20 16.239 1.836 0.450 0.762 1.000 0.684 CA 1.110 20 residues pruned to eliminate duplicates Z: 20 16.925 1.878 0.343 0.778 1.000 0.842 CA 1.204 20 residues pruned to eliminate duplicates Z: 22 18.907 1.901 0.432 0.740 0.952 0.714 CA 1.283 22 residues pruned to eliminate duplicates Z: 17 16.001 1.804 0.296 0.914 1.000 0.750 CA 1.210 17 residues pruned to eliminate duplicates Z: 22 21.450 1.905 0.657 0.726 0.952 0.714 CA 1.270 22 residues pruned to eliminate duplicates Z: 146 62.406 2.017 0.742 0.633 0.924 0.572 CB 1.409 146 residues pruned to eliminate duplicates Z: 25 21.931 1.889 0.755 0.630 0.917 0.542 CB 1.303 25 residues pruned to eliminate duplicates Z: 31 22.203 1.894 0.615 0.594 0.933 0.500 CB 1.298 31 residues pruned to eliminate duplicates Z: 18 20.909 1.749 0.767 0.881 0.941 0.529 CA 1.263 18 residues pruned to eliminate duplicates Z: 23 26.146 1.862 0.851 0.740 0.955 0.364 CA 1.366 23 residues pruned to eliminate duplicates Z: 17 20.099 1.734 0.636 0.889 1.000 0.375 CB 1.275 17 residues pruned to eliminate duplicates Z: 23 17.500 1.840 0.509 0.684 0.909 0.500 CB 1.249 23 residues pruned to eliminate duplicates Z: 17 19.250 1.855 0.571 0.884 0.938 0.750 CB 1.272 17 residues pruned to eliminate duplicates Z: 25 24.760 1.860 0.950 0.701 0.917 0.417 CB 1.265 25 residues pruned to eliminate duplicates Z: 13 15.272 1.701 0.678 0.829 0.917 0.417 CB 1.268 13 residues pruned to eliminate duplicates Z: 25 22.189 1.860 0.865 0.685 0.875 0.333 CB 1.259 25 residues pruned to eliminate duplicates Z: 13 10.753 1.713 1.056 0.321 0.917 0.333 CB 1.171 11 residues pruned to eliminate duplicates Z: 7 6.426 1.677 1.192 0.302 0.833 0.167 CA 1.068 7 residues pruned to eliminate duplicates Z: 8 7.793 1.633 0.920 0.425 0.857 0.714 CA 1.185 8 residues pruned to eliminate duplicates Z: 7 15.423 2.105 1.290 0.525 0.833 0.667 CB 1.530 7 residues pruned to eliminate duplicates Z: 10 10.625 1.906 1.044 0.444 0.778 0.556 CB 1.239 10 residues pruned to eliminate duplicates Z: 36 20.014 1.846 0.532 0.592 0.857 0.543 CB 1.277 41 residues pruned to eliminate duplicates Z: 8 11.565 2.022 0.115 0.810 1.000 0.571 CB 1.480 8 residues pruned to eliminate duplicates Z: 27 19.854 1.910 0.328 0.742 0.923 0.654 CB 1.340 27 residues pruned to eliminate duplicates Z: 21 20.947 1.912 0.292 0.888 1.000 0.700 CB 1.366 21 residues pruned to eliminate duplicates Z: 26 21.017 1.894 0.517 0.700 0.920 0.600 CB 1.325 26 residues pruned to eliminate duplicates Z: 18 14.260 1.960 0.292 0.648 0.882 0.647 CB 1.347 18 residues pruned to eliminate duplicates Z: 29 22.840 1.881 0.545 0.665 0.929 0.679 CB 1.372 29 residues pruned to eliminate duplicates Z: 27 22.397 1.904 0.586 0.695 0.885 0.577 CB 1.376 27 residues pruned to eliminate duplicates Z: 20 25.855 1.977 0.812 0.852 0.947 0.526 CB 1.292 20 residues pruned to eliminate duplicates Z: 19 27.068 1.958 0.642 0.875 0.944 0.722 CB 1.528 19 residues pruned to eliminate duplicates Z: 19 22.208 1.977 0.633 0.856 0.944 0.500 CB 1.266 19 residues pruned to eliminate duplicates Z: 34 28.582 2.032 0.826 0.632 0.879 0.636 CB 1.347 35 residues pruned to eliminate duplicates Z: 20 23.502 1.948 0.588 0.892 0.947 0.579 CB 1.321 20 residues pruned to eliminate duplicates Z: 20 21.534 2.007 0.546 0.854 0.895 0.579 CB 1.314 20 residues pruned to eliminate duplicates Z: 20 20.377 1.968 0.627 0.845 0.895 0.421 CB 1.214 20 residues pruned to eliminate duplicates Z: 27 25.446 1.991 0.700 0.685 0.923 0.423 CB 1.347 27 residues pruned to eliminate duplicates Z: 28 25.980 1.992 0.689 0.699 0.963 0.370 CB 1.287 28 residues pruned to eliminate duplicates Z: 35 25.701 1.989 0.763 0.620 0.853 0.441 CB 1.317 35 residues pruned to eliminate duplicates Z: 35 25.549 1.964 0.707 0.611 0.882 0.294 CB 1.333 36 residues pruned to eliminate duplicates Z: 10 7.910 1.598 0.251 0.768 1.000 0.556 CA 1.040 10 residues pruned to eliminate duplicates Z: 36 20.772 1.879 0.475 0.736 0.829 0.600 CB 1.237 36 residues pruned to eliminate duplicates Z: 27 25.739 1.916 0.656 0.753 0.962 0.615 CA 1.320 27 residues pruned to eliminate duplicates Z: 52 33.544 1.926 0.727 0.655 0.902 0.569 CB 1.356 52 residues pruned to eliminate duplicates Z: 134 59.572 2.078 0.656 0.647 0.932 0.609 CB 1.404 134 residues pruned to eliminate duplicates Z: 48 36.205 2.034 0.655 0.713 0.915 0.638 CB 1.413 48 residues pruned to eliminate duplicates Z: 68 45.821 2.020 0.681 0.733 0.925 0.657 CB 1.446 68 residues pruned to eliminate duplicates Z: 68 45.713 1.970 0.817 0.724 0.925 0.493 CB 1.377 68 residues pruned to eliminate duplicates Z: 43 38.258 1.996 0.763 0.774 0.929 0.595 CB 1.419 43 residues pruned to eliminate duplicates Z: 66 51.691 1.988 0.844 0.763 0.954 0.585 CB 1.452 66 residues pruned to eliminate duplicates Z: 119 57.692 2.128 0.668 0.608 0.941 0.602 CB 1.435 119 residues pruned to eliminate duplicates Z: 59 43.300 1.997 0.703 0.783 0.914 0.586 CB 1.426 59 residues pruned to eliminate duplicates Z: 47 32.311 1.962 0.707 0.666 0.891 0.674 CB 1.369 47 residues pruned to eliminate duplicates Z: 49 33.143 1.917 0.651 0.748 0.938 0.542 CB 1.293 49 residues pruned to eliminate duplicates Z: 48 38.669 2.044 0.775 0.719 0.915 0.617 CB 1.394 48 residues pruned to eliminate duplicates Z: 25 25.417 1.950 0.587 0.763 1.000 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 85 40.948 2.059 0.540 0.590 0.917 0.571 CB 1.410 85 residues pruned to eliminate duplicates Z: 119 57.534 2.141 0.651 0.602 0.941 0.619 CB 1.445 119 residues pruned to eliminate duplicates Z: 59 37.860 1.935 0.734 0.732 0.879 0.466 CB 1.367 59 residues pruned to eliminate duplicates Z: 44 25.894 1.856 0.712 0.635 0.884 0.488 CB 1.239 44 residues pruned to eliminate duplicates Z: 85 51.278 2.167 0.710 0.584 0.952 0.619 CB 1.462 85 residues pruned to eliminate duplicates Z: 104 58.022 2.134 0.726 0.624 0.932 0.612 CB 1.481 104 residues pruned to eliminate duplicates Z: 119 57.957 2.136 0.698 0.608 0.932 0.559 CB 1.424 119 residues pruned to eliminate duplicates Z: 105 58.535 2.122 0.710 0.626 0.942 0.673 CB 1.491 105 residues pruned to eliminate duplicates Z: 61 44.799 1.988 0.673 0.782 0.933 0.567 CB 1.453 61 residues pruned to eliminate duplicates Z: 77 50.176 2.189 0.714 0.573 0.947 0.711 CB 1.510 77 residues pruned to eliminate duplicates Z: 22 27.713 2.074 0.940 0.683 0.857 0.714 CB 1.482 22 residues pruned to eliminate duplicates Z: 22 27.766 2.074 1.019 0.677 0.857 0.810 CB 1.434 22 residues pruned to eliminate duplicates Z: 16 21.573 2.019 0.908 0.637 0.867 0.667 CA 1.468 16 residues pruned to eliminate duplicates Z: 139 63.630 2.120 0.695 0.616 0.928 0.623 CB 1.456 139 residues pruned to eliminate duplicates Z: 92 54.895 2.178 0.762 0.610 0.923 0.648 CB 1.463 92 residues pruned to eliminate duplicates Z: 44 31.220 1.956 0.709 0.733 0.884 0.535 CB 1.307 44 residues pruned to eliminate duplicates Z: 87 50.239 2.143 0.672 0.577 0.942 0.651 CB 1.491 87 residues pruned to eliminate duplicates Z: 120 58.812 2.132 0.683 0.611 0.950 0.622 CB 1.425 120 residues pruned to eliminate duplicates Z: 79 50.987 2.169 0.783 0.572 0.936 0.667 CB 1.488 79 residues pruned to eliminate duplicates Z: 106 60.606 2.089 0.738 0.700 0.943 0.676 CB 1.439 106 residues pruned to eliminate duplicates Z: 12 12.270 1.990 0.735 0.499 0.909 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 70 40.450 2.153 0.614 0.505 0.942 0.681 CB 1.480 70 residues pruned to eliminate duplicates Z: 72 43.441 2.125 0.762 0.575 0.901 0.662 CB 1.422 72 residues pruned to eliminate duplicates Z: 90 52.054 2.193 0.730 0.577 0.933 0.640 CB 1.449 90 residues pruned to eliminate duplicates Z: 61 45.689 2.063 0.871 0.710 0.933 0.667 CB 1.353 61 residues pruned to eliminate duplicates Z: 112 58.015 2.056 0.741 0.685 0.928 0.550 CB 1.399 112 residues pruned to eliminate duplicates Z: 112 59.032 2.121 0.794 0.613 0.928 0.622 CB 1.426 112 residues pruned to eliminate duplicates Z: 78 48.612 2.183 0.714 0.575 0.948 0.688 CB 1.453 78 residues pruned to eliminate duplicates Z: 84 44.299 2.192 0.625 0.522 0.928 0.602 CB 1.440 84 residues pruned to eliminate duplicates Z: 87 54.008 2.083 0.796 0.660 0.942 0.605 CB 1.425 87 residues pruned to eliminate duplicates Z: 60 41.545 2.147 0.658 0.550 0.966 0.593 CB 1.498 60 residues pruned to eliminate duplicates Z: 104 56.214 2.110 0.755 0.602 0.951 0.612 CB 1.426 104 residues pruned to eliminate duplicates Z: 83 39.832 2.138 0.596 0.515 0.902 0.598 CB 1.407 83 residues pruned to eliminate duplicates Z: 89 48.957 2.070 0.746 0.629 0.932 0.511 CB 1.373 89 residues pruned to eliminate duplicates Z: 70 40.585 2.167 0.592 0.556 0.942 0.710 CB 1.423 70 residues pruned to eliminate duplicates Z: 79 47.599 2.171 0.725 0.569 0.910 0.551 CB 1.479 79 residues pruned to eliminate duplicates Z: 139 63.291 2.103 0.729 0.638 0.920 0.594 CB 1.415 139 residues pruned to eliminate duplicates Z: 123 59.768 2.071 0.741 0.625 0.934 0.566 CB 1.428 123 residues pruned to eliminate duplicates Z: 59 37.630 2.163 0.614 0.533 0.948 0.603 CB 1.444 59 residues pruned to eliminate duplicates Z: 123 58.710 2.091 0.715 0.643 0.918 0.639 CB 1.413 123 residues pruned to eliminate duplicates Z: 126 60.247 2.069 0.768 0.636 0.920 0.592 CB 1.409 126 residues pruned to eliminate duplicates Z: 58 40.535 2.175 0.714 0.545 0.930 0.684 CB 1.483 58 residues pruned to eliminate duplicates Z: 84 52.198 2.196 0.694 0.600 0.940 0.735 CB 1.490 84 residues pruned to eliminate duplicates Z: 84 50.272 2.166 0.704 0.580 0.952 0.663 CB 1.454 84 residues pruned to eliminate duplicates Z: 78 49.911 2.187 0.692 0.581 0.961 0.701 CB 1.480 78 residues pruned to eliminate duplicates Z: 104 57.614 2.130 0.729 0.619 0.951 0.631 CB 1.447 104 residues pruned to eliminate duplicates Z: 94 51.076 2.171 0.734 0.549 0.925 0.624 CB 1.450 94 residues pruned to eliminate duplicates Z: 44 38.374 2.167 0.682 0.619 0.977 0.721 CB 1.468 44 residues pruned to eliminate duplicates Z: 52 30.932 2.064 0.565 0.507 0.941 0.627 CB 1.414 52 residues pruned to eliminate duplicates Z: 58 45.365 2.190 0.731 0.576 0.982 0.544 CB 1.499 58 residues pruned to eliminate duplicates Z: 102 58.861 2.139 0.744 0.644 0.950 0.584 CB 1.444 102 residues pruned to eliminate duplicates Z: 93 50.622 2.060 0.726 0.656 0.935 0.620 CB 1.374 93 residues pruned to eliminate duplicates Z: 124 62.978 2.090 0.701 0.653 0.935 0.626 CB 1.481 124 residues pruned to eliminate duplicates Z: 69 42.836 2.165 0.649 0.523 0.956 0.603 CB 1.488 69 residues pruned to eliminate duplicates Z: 59 43.256 2.173 0.708 0.560 0.983 0.707 CB 1.469 59 residues pruned to eliminate duplicates Z: 58 41.618 2.175 0.666 0.561 0.947 0.702 CB 1.514 58 residues pruned to eliminate duplicates Z: 74 42.383 2.194 0.560 0.558 0.959 0.630 CB 1.429 74 residues pruned to eliminate duplicates Z: 45 36.015 2.195 0.591 0.519 0.977 0.705 CB 1.561 45 residues pruned to eliminate duplicates Z: 83 44.743 2.168 0.667 0.528 0.951 0.707 CB 1.398 83 residues pruned to eliminate duplicates Z: 53 30.924 2.193 0.458 0.483 0.942 0.596 CB 1.449 53 residues pruned to eliminate duplicates Z: 91 49.648 2.192 0.666 0.569 0.911 0.667 CB 1.471 91 residues pruned to eliminate duplicates Z: 74 43.626 2.184 0.635 0.548 0.945 0.712 CB 1.443 74 residues pruned to eliminate duplicates Z: 37 33.122 2.210 0.696 0.498 0.944 0.694 CB 1.563 37 residues pruned to eliminate duplicates Z: 79 50.076 2.164 0.759 0.574 0.949 0.718 CB 1.462 79 residues pruned to eliminate duplicates Z: 93 52.480 2.177 0.670 0.574 0.957 0.641 CB 1.465 93 residues pruned to eliminate duplicates Z: 112 54.848 2.108 0.766 0.603 0.910 0.649 CB 1.394 112 residues pruned to eliminate duplicates Z: 104 58.150 2.122 0.755 0.630 0.942 0.738 CB 1.445 104 residues pruned to eliminate duplicates Z: 65 42.819 2.165 0.658 0.557 0.938 0.609 CB 1.505 65 residues pruned to eliminate duplicates Z: 62 41.266 2.146 0.776 0.524 0.934 0.590 CB 1.448 62 residues pruned to eliminate duplicates Z: 78 51.398 2.175 0.807 0.568 0.935 0.662 CB 1.492 78 residues pruned to eliminate duplicates Z: 45 34.076 2.184 0.594 0.505 0.977 0.614 CB 1.503 45 residues pruned to eliminate duplicates Z: 58 42.546 2.181 0.730 0.548 0.947 0.596 CB 1.505 58 residues pruned to eliminate duplicates Z: 75 40.138 2.166 0.609 0.514 0.919 0.662 CB 1.437 75 residues pruned to eliminate duplicates Z: 78 51.180 2.193 0.839 0.575 0.935 0.623 CB 1.439 78 residues pruned to eliminate duplicates Z: 60 42.107 2.193 0.752 0.536 0.915 0.661 CB 1.504 60 residues pruned to eliminate duplicates Z: 77 51.626 2.201 0.750 0.576 0.934 0.737 CB 1.530 77 residues pruned to eliminate duplicates Z: 62 45.982 2.141 0.823 0.555 0.984 0.607 CB 1.454 62 residues pruned to eliminate duplicates Z: 72 42.586 2.205 0.648 0.533 0.930 0.592 CB 1.448 72 residues pruned to eliminate duplicates Z: 89 47.490 2.152 0.719 0.525 0.943 0.625 CB 1.415 89 residues pruned to eliminate duplicates Z: 73 45.260 2.153 0.701 0.546 0.958 0.625 CB 1.452 73 residues pruned to eliminate duplicates Z: 27 19.979 2.176 0.478 0.473 0.885 0.654 CB 1.415 27 residues pruned to eliminate duplicates Z: 57 47.033 2.196 0.841 0.576 0.964 0.607 CB 1.499 57 residues pruned to eliminate duplicates Z: 135 62.921 2.071 0.787 0.637 0.933 0.664 CB 1.385 135 residues pruned to eliminate duplicates Z: 125 62.743 2.089 0.809 0.632 0.927 0.621 CB 1.421 125 residues pruned to eliminate duplicates Z: 62 37.772 2.169 0.585 0.499 0.951 0.639 CB 1.480 62 residues pruned to eliminate duplicates Z: 69 41.132 2.177 0.697 0.539 0.926 0.662 CB 1.403 69 residues pruned to eliminate duplicates Z: 93 57.591 2.188 0.810 0.599 0.946 0.739 CB 1.459 93 residues pruned to eliminate duplicates Z: 74 44.394 2.183 0.687 0.548 0.932 0.589 CB 1.445 74 residues pruned to eliminate duplicates Z: 15 13.153 1.972 0.767 0.515 0.857 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 78 47.696 2.173 0.802 0.572 0.935 0.571 CB 1.385 78 residues pruned to eliminate duplicates Z: 98 55.412 2.133 0.820 0.601 0.938 0.598 CB 1.404 98 residues pruned to eliminate duplicates Z: 120 58.344 2.127 0.670 0.610 0.950 0.630 CB 1.428 120 residues pruned to eliminate duplicates Z: 19 11.112 2.038 0.278 0.495 0.833 0.389 CB 1.213 19 residues pruned to eliminate duplicates Z: 9 7.972 2.198 0.224 0.427 0.875 0.500 CB 1.291 9 residues pruned to eliminate duplicates Z: 7 6.261 2.104 0.123 0.296 1.000 0.333 CB 1.359 7 residues pruned to eliminate duplicates Z: 10 9.171 1.979 0.881 0.461 0.778 0.556 CB 1.099 10 residues pruned to eliminate duplicates Z: 7 8.337 2.018 0.696 0.518 0.833 0.667 CA 1.173 7 residues pruned to eliminate duplicates Z: 10 13.825 2.111 0.712 0.477 0.889 0.556 CB 1.468 10 residues pruned to eliminate duplicates Z: 12 16.772 2.088 1.133 0.469 0.909 0.455 CB 1.289 12 residues pruned to eliminate duplicates Z: 74 46.563 2.189 0.745 0.556 0.918 0.630 CB 1.472 74 residues pruned to eliminate duplicates Z: 29 33.783 2.117 0.745 0.702 0.929 0.714 CB 1.549 29 residues pruned to eliminate duplicates Z: 29 34.427 2.127 0.752 0.699 0.964 0.821 CA 1.510 29 residues pruned to eliminate duplicates Z: 28 34.003 2.149 0.667 0.734 0.963 0.741 CB 1.537 28 residues pruned to eliminate duplicates Z: 28 30.021 2.150 0.509 0.717 0.963 0.815 CA 1.520 28 residues pruned to eliminate duplicates Z: 27 41.742 2.213 0.900 0.744 1.000 0.769 CB 1.565 27 residues pruned to eliminate duplicates Z: 28 35.515 2.168 0.688 0.719 1.000 0.852 CB 1.532 28 residues pruned to eliminate duplicates Z: 19 23.051 2.223 0.395 0.626 1.000 0.667 CB 1.555 19 residues pruned to eliminate duplicates Z: 28 33.799 2.146 0.585 0.713 1.000 0.926 CB 1.577 28 residues pruned to eliminate duplicates Z: 27 37.115 2.215 0.694 0.757 1.000 0.846 CB 1.543 27 residues pruned to eliminate duplicates Z: 27 35.153 2.207 0.681 0.743 0.962 0.923 CB 1.555 27 residues pruned to eliminate duplicates Z: 28 32.220 2.159 0.575 0.699 0.963 0.704 CA 1.580 28 residues pruned to eliminate duplicates Z: 27 39.863 2.219 0.768 0.748 1.000 0.769 CB 1.597 27 residues pruned to eliminate duplicates Z: 27 35.668 2.206 0.601 0.749 1.000 0.731 CA 1.586 27 residues pruned to eliminate duplicates Z: 28 35.386 2.169 0.691 0.728 1.000 0.704 CB 1.511 28 residues pruned to eliminate duplicates Z: 27 31.061 2.155 0.663 0.689 0.923 0.654 CB 1.549 27 residues pruned to eliminate duplicates Z: 27 39.073 2.220 0.731 0.755 1.000 0.731 CB 1.589 27 residues pruned to eliminate duplicates Z: 28 35.097 2.136 0.763 0.692 0.963 0.741 CA 1.562 28 residues pruned to eliminate duplicates Z: 27 38.025 2.223 0.841 0.749 0.962 0.769 CB 1.517 27 residues pruned to eliminate duplicates Z: 27 36.226 2.209 0.719 0.752 0.962 0.654 CB 1.555 27 residues pruned to eliminate duplicates Z: 28 35.468 2.160 0.778 0.719 1.000 0.667 CB 1.457 29 residues pruned to eliminate duplicates Z: 18 40.248 2.355 0.989 0.895 0.941 0.588 CB 1.587 18 residues pruned to eliminate duplicates Z: 27 36.947 2.206 0.790 0.756 0.962 0.615 CB 1.519 27 residues pruned to eliminate duplicates Z: 27 41.500 2.207 0.896 0.732 1.000 0.615 CB 1.579 27 residues pruned to eliminate duplicates Z: 27 38.563 2.195 0.801 0.746 1.000 0.615 CB 1.535 27 residues pruned to eliminate duplicates 400 residues left after pruning, divided into chains as follows: A: 148 B: 14 C: 33 D: 34 E: 171 CC for partial structure against native data = 41.35 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.382, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.434, Connect. = 0.731 for dens.mod. cycle 2 = 0.300, Contrast = 0.532, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.542, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.554, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.562, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.569, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.574, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.578, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.582, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2310 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 498 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 33.657 2.210 0.960 0.848 0.895 0.684 CA 1.478 B: 8 14.454 2.181 0.288 0.800 1.000 0.714 CB 1.496 C: 59 28.729 2.044 0.531 0.440 0.897 0.517 CB 1.429 8 residues pruned to eliminate duplicates D: 19 36.271 2.273 0.756 0.901 1.000 0.889 CA 1.529 19 residues pruned to eliminate duplicates E: 17 15.535 1.837 0.215 0.895 1.000 0.875 CA 1.248 F: 20 18.009 2.086 0.435 0.454 0.947 0.579 CB 1.526 G: 22 22.652 1.848 0.490 0.815 1.000 0.714 CA 1.366 H: 8 16.969 1.974 0.619 0.904 1.000 0.571 CB 1.430 I: 30 28.198 2.118 0.733 0.571 0.931 0.483 CB 1.431 17 residues pruned to eliminate duplicates J: 13 28.306 2.170 0.706 0.906 1.000 0.917 CB 1.570 K: 46 34.994 2.094 0.675 0.588 0.911 0.689 CB 1.501 17 residues pruned to eliminate duplicates L: 61 38.673 2.106 0.699 0.553 0.900 0.567 CB 1.472 63 residues pruned to eliminate duplicates M: 26 27.124 2.227 0.629 0.537 0.920 0.680 CB 1.567 29 residues pruned to eliminate duplicates N: 19 16.443 1.723 0.386 0.867 1.000 0.667 CA 1.187 17 residues pruned to eliminate duplicates O: 17 20.926 2.025 0.367 0.855 0.875 0.562 CA 1.593 P: 20 17.332 1.820 0.427 0.937 0.895 0.842 CA 1.191 20 residues pruned to eliminate duplicates Q: 12 19.842 2.084 0.844 0.812 0.818 0.636 CB 1.450 R: 31 28.571 2.132 0.628 0.621 1.000 0.800 CB 1.341 S: 31 28.408 2.135 0.721 0.633 0.933 0.867 CB 1.336 31 residues pruned to eliminate duplicates T: 12 22.143 2.084 0.826 0.799 0.909 0.455 CB 1.486 12 residues pruned to eliminate duplicates U: 12 11.729 1.873 0.418 0.641 0.818 0.455 CA 1.426 12 residues pruned to eliminate duplicates V: 20 33.226 2.208 0.904 0.862 0.895 0.474 CB 1.488 20 residues pruned to eliminate duplicates W: 17 21.243 1.987 0.348 0.904 0.938 0.625 CB 1.506 17 residues pruned to eliminate duplicates X: 10 13.329 1.749 0.740 0.695 0.889 0.556 C 1.374 16 residues pruned to eliminate duplicates Y: 17 25.653 2.011 0.547 0.939 1.000 0.875 CB 1.433 Z: 17 21.102 2.014 0.288 0.914 0.938 0.688 CB 1.535 18 residues pruned to eliminate duplicates Z: 36 30.343 2.093 0.564 0.538 0.971 0.571 CB 1.554 36 residues pruned to eliminate duplicates Z: 12 28.050 2.257 0.706 0.907 1.000 0.455 CB 1.561 12 residues pruned to eliminate duplicates Z: 12 24.127 2.223 0.498 0.892 1.000 0.545 CB 1.569 12 residues pruned to eliminate duplicates Z: 13 21.054 2.082 0.526 0.835 1.000 0.833 CB 1.433 12 residues pruned to eliminate duplicates Z: 12 21.876 2.129 0.657 0.907 0.909 0.727 CB 1.461 Z: 11 21.798 2.158 0.837 0.866 0.800 0.500 CB 1.591 11 residues pruned to eliminate duplicates Z: 12 26.263 2.223 0.558 0.895 1.000 0.909 CB 1.639 12 residues pruned to eliminate duplicates Z: 7 5.593 1.580 0.241 0.706 1.000 0.333 CA 0.966 7 residues pruned to eliminate duplicates Z: 13 18.452 1.994 0.393 0.885 1.000 0.917 CB 1.385 Z: 64 38.311 2.055 0.564 0.630 0.937 0.746 CB 1.419 57 residues pruned to eliminate duplicates Z: 19 24.681 1.812 0.711 0.900 1.000 0.833 CB 1.341 17 residues pruned to eliminate duplicates Z: 17 25.949 2.060 0.862 0.745 0.875 0.625 CB 1.552 13 residues pruned to eliminate duplicates Z: 63 33.751 1.988 0.681 0.543 0.903 0.532 CB 1.362 63 residues pruned to eliminate duplicates Z: 13 21.332 2.006 0.617 0.885 1.000 0.917 CB 1.371 13 residues pruned to eliminate duplicates Z: 18 31.449 2.283 1.018 0.889 0.882 0.647 CB 1.351 20 residues pruned to eliminate duplicates Z: 72 38.486 2.034 0.600 0.569 0.972 0.521 CB 1.351 66 residues pruned to eliminate duplicates Z: 11 22.309 2.195 0.597 0.906 1.000 0.900 CB 1.430 14 residues pruned to eliminate duplicates Z: 12 13.670 1.968 0.140 0.929 1.000 0.909 CA 1.286 12 residues pruned to eliminate duplicates Z: 21 21.424 1.924 0.557 0.888 0.900 0.650 CB 1.281 21 residues pruned to eliminate duplicates Z: 14 19.610 2.078 0.332 0.900 1.000 0.769 CA 1.404 14 residues pruned to eliminate duplicates Z: 22 19.291 1.815 0.368 0.871 1.000 0.810 CA 1.237 22 residues pruned to eliminate duplicates Z: 19 20.809 2.041 0.415 0.840 0.944 0.611 CB 1.342 Z: 17 29.065 1.955 0.803 0.898 1.000 0.562 CB 1.475 18 residues pruned to eliminate duplicates Z: 13 21.607 2.112 0.550 0.817 1.000 0.833 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 23.449 2.074 0.979 0.874 0.923 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 20 27.448 2.162 0.551 0.892 0.947 0.737 CA 1.424 20 residues pruned to eliminate duplicates Z: 7 13.022 2.303 -0.055 0.895 1.000 0.833 CB 1.751 7 residues pruned to eliminate duplicates Z: 21 25.734 1.899 0.541 0.889 1.000 0.550 CA 1.416 21 residues pruned to eliminate duplicates Z: 9 15.293 2.134 0.426 0.760 0.875 0.250 CB 1.612 9 residues pruned to eliminate duplicates Z: 19 21.460 1.911 0.752 0.920 0.944 0.389 CB 1.126 19 residues pruned to eliminate duplicates Z: 28 22.239 2.077 0.574 0.624 0.852 0.741 CB 1.368 28 residues pruned to eliminate duplicates Z: 18 22.151 1.987 0.307 0.905 0.941 0.882 CB 1.565 17 residues pruned to eliminate duplicates Z: 17 22.954 2.013 0.651 0.949 0.812 0.562 CB 1.467 17 residues pruned to eliminate duplicates Z: 13 21.765 2.075 0.574 0.832 1.000 0.750 CB 1.444 13 residues pruned to eliminate duplicates Z: 76 45.501 2.046 0.682 0.660 0.933 0.587 CB 1.411 59 residues pruned to eliminate duplicates Z: 18 17.691 1.984 0.261 0.838 0.882 0.647 CB 1.453 18 residues pruned to eliminate duplicates Z: 13 23.172 2.024 0.922 0.853 0.917 0.750 CA 1.387 13 residues pruned to eliminate duplicates Z: 17 26.791 2.008 0.696 0.922 0.938 0.562 CB 1.476 17 residues pruned to eliminate duplicates Z: 18 25.075 1.984 0.721 0.880 0.941 0.706 CA 1.371 Z: 8 8.056 1.707 0.385 0.779 1.000 0.857 CB 1.007 8 residues pruned to eliminate duplicates Z: 14 23.767 1.922 0.924 0.921 1.000 0.769 CB 1.254 14 residues pruned to eliminate duplicates Z: 17 23.233 2.071 0.597 0.897 1.000 0.875 CA 1.257 17 residues pruned to eliminate duplicates Z: 13 23.321 2.118 0.655 0.870 1.000 0.333 CB 1.402 13 residues pruned to eliminate duplicates Z: 124 56.242 2.053 0.647 0.667 0.935 0.650 CB 1.375 118 residues pruned to eliminate duplicates Z: 19 22.072 1.963 0.658 0.937 0.944 0.389 CB 1.178 19 residues pruned to eliminate duplicates Z: 16 32.063 2.129 1.091 0.838 0.933 0.800 CA 1.490 14 residues pruned to eliminate duplicates Z: 18 29.461 1.997 0.922 0.835 0.941 0.412 CA 1.481 18 residues pruned to eliminate duplicates Z: 17 23.638 2.063 0.754 0.882 1.000 0.812 CA 1.182 17 residues pruned to eliminate duplicates Z: 12 23.115 2.171 0.590 0.865 1.000 0.909 CB 1.479 12 residues pruned to eliminate duplicates Z: 14 17.592 2.069 0.600 0.880 0.846 0.538 CB 1.262 14 residues pruned to eliminate duplicates Z: 17 24.424 2.177 0.734 0.709 0.875 0.812 CB 1.529 17 residues pruned to eliminate duplicates Z: 7 18.084 2.220 0.752 0.881 1.000 0.667 CB 1.375 7 residues pruned to eliminate duplicates Z: 21 23.363 1.915 0.409 0.876 1.000 0.550 CB 1.408 21 residues pruned to eliminate duplicates Z: 17 32.064 1.976 0.986 0.898 0.938 0.438 CA 1.558 18 residues pruned to eliminate duplicates Z: 12 23.453 2.325 0.476 0.874 1.000 0.909 CA 1.499 12 residues pruned to eliminate duplicates Z: 17 27.943 2.060 0.869 0.915 1.000 0.875 CA 1.282 17 residues pruned to eliminate duplicates Z: 9 14.318 2.081 0.514 0.810 0.875 0.750 CA 1.401 9 residues pruned to eliminate duplicates Z: 12 15.369 2.085 0.204 0.834 1.000 0.818 CB 1.385 12 residues pruned to eliminate duplicates Z: 18 23.051 2.002 0.340 0.887 1.000 0.588 CB 1.503 18 residues pruned to eliminate duplicates Z: 12 24.959 2.019 0.897 0.862 1.000 0.636 CB 1.442 12 residues pruned to eliminate duplicates Z: 20 27.321 2.202 0.458 0.850 0.947 0.737 CA 1.525 20 residues pruned to eliminate duplicates Z: 12 20.467 2.032 0.599 0.927 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 13 23.371 1.970 0.781 0.885 1.000 0.917 CB 1.388 13 residues pruned to eliminate duplicates Z: 14 14.298 1.795 0.461 0.893 1.000 0.846 CB 1.085 14 residues pruned to eliminate duplicates Z: 13 25.596 2.108 0.653 0.883 1.000 0.667 CB 1.533 13 residues pruned to eliminate duplicates Z: 17 16.902 1.894 0.389 0.924 0.938 0.625 CB 1.204 17 residues pruned to eliminate duplicates Z: 20 39.694 2.203 1.082 0.891 0.947 0.526 CB 1.507 21 residues pruned to eliminate duplicates Z: 54 48.205 2.174 0.875 0.589 0.962 0.698 CB 1.550 56 residues pruned to eliminate duplicates Z: 17 29.183 2.030 0.680 0.912 1.000 0.938 CA 1.514 17 residues pruned to eliminate duplicates Z: 18 33.048 1.976 1.017 0.933 0.941 0.824 CA 1.492 18 residues pruned to eliminate duplicates Z: 12 24.966 2.244 0.461 0.903 1.000 0.727 CB 1.636 12 residues pruned to eliminate duplicates Z: 18 16.549 1.937 0.080 0.921 0.941 0.765 CB 1.435 18 residues pruned to eliminate duplicates Z: 13 25.026 2.072 0.650 0.906 1.000 0.750 CB 1.504 13 residues pruned to eliminate duplicates Z: 17 23.685 1.989 0.290 0.926 1.000 0.812 CB 1.619 17 residues pruned to eliminate duplicates Z: 90 45.723 2.057 0.595 0.656 0.955 0.674 CB 1.338 90 residues pruned to eliminate duplicates Z: 17 27.447 2.022 0.792 0.880 0.938 0.750 CA 1.464 17 residues pruned to eliminate duplicates Z: 12 17.849 2.039 0.311 0.909 1.000 1.000 CB 1.430 12 residues pruned to eliminate duplicates Z: 16 15.910 2.018 0.327 0.860 0.933 0.533 CB 1.208 16 residues pruned to eliminate duplicates Z: 18 29.347 1.988 0.864 0.901 0.941 0.824 CA 1.456 18 residues pruned to eliminate duplicates Z: 57 39.307 2.193 0.553 0.583 0.929 0.643 CB 1.533 57 residues pruned to eliminate duplicates Z: 18 19.530 1.874 0.512 0.906 0.941 0.941 CA 1.263 18 residues pruned to eliminate duplicates Z: 20 31.878 2.165 0.696 0.907 1.000 0.737 CB 1.415 20 residues pruned to eliminate duplicates Z: 13 24.081 2.125 0.575 0.919 1.000 0.667 CB 1.464 13 residues pruned to eliminate duplicates Z: 19 13.399 1.887 -0.099 0.885 0.944 0.778 CA 1.421 19 residues pruned to eliminate duplicates Z: 17 18.568 1.815 0.379 0.899 1.000 0.875 CB 1.326 19 residues pruned to eliminate duplicates Z: 17 21.891 2.043 0.504 0.879 1.000 0.812 CB 1.292 17 residues pruned to eliminate duplicates Z: 14 20.853 1.966 0.435 0.866 1.000 0.615 CA 1.501 14 residues pruned to eliminate duplicates Z: 19 28.414 1.921 0.835 0.829 1.000 0.667 CA 1.430 19 residues pruned to eliminate duplicates Z: 20 38.794 2.201 1.044 0.897 1.000 0.632 CB 1.416 20 residues pruned to eliminate duplicates Z: 35 23.253 2.019 0.784 0.498 0.853 0.529 CB 1.300 35 residues pruned to eliminate duplicates Z: 13 20.915 1.899 0.693 0.880 1.000 0.750 CB 1.361 13 residues pruned to eliminate duplicates Z: 8 13.048 2.078 0.231 0.869 1.000 0.714 CB 1.408 8 residues pruned to eliminate duplicates Z: 17 11.009 1.998 0.368 0.443 0.875 0.500 CA 1.221 16 residues pruned to eliminate duplicates Z: 17 24.020 1.971 0.469 0.856 1.000 0.812 CB 1.530 17 residues pruned to eliminate duplicates Z: 9 7.507 1.979 0.072 0.773 0.750 0.625 CB 1.311 9 residues pruned to eliminate duplicates Z: 13 19.462 2.083 0.347 0.861 1.000 0.750 CB 1.471 13 residues pruned to eliminate duplicates Z: 13 21.601 2.070 0.581 0.873 1.000 0.667 CB 1.387 13 residues pruned to eliminate duplicates Z: 13 10.190 1.871 0.610 0.426 0.833 0.500 CB 1.264 Z: 14 17.370 1.975 0.247 0.821 1.000 0.615 CB 1.481 14 residues pruned to eliminate duplicates Z: 20 30.345 2.138 0.661 0.895 1.000 0.789 CB 1.405 20 residues pruned to eliminate duplicates Z: 13 16.473 2.095 0.364 0.809 0.833 0.583 CB 1.525 13 residues pruned to eliminate duplicates Z: 12 14.329 2.005 0.215 0.890 0.909 0.909 CA 1.403 12 residues pruned to eliminate duplicates Z: 12 20.983 2.103 0.440 0.849 1.000 0.909 CB 1.548 12 residues pruned to eliminate duplicates Z: 68 37.793 2.064 0.579 0.554 0.925 0.448 CB 1.453 68 residues pruned to eliminate duplicates Z: 13 25.005 2.162 0.563 0.910 1.000 0.750 CB 1.515 13 residues pruned to eliminate duplicates Z: 17 25.547 1.999 0.525 0.884 1.000 0.875 CB 1.513 17 residues pruned to eliminate duplicates Z: 13 21.042 2.157 0.443 0.871 0.917 0.667 CB 1.553 13 residues pruned to eliminate duplicates Z: 13 22.228 2.110 0.786 0.870 0.917 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 13 25.687 2.001 0.861 0.900 1.000 0.833 CB 1.422 13 residues pruned to eliminate duplicates Z: 17 15.361 1.991 0.707 0.565 0.812 0.438 CB 1.306 9 residues pruned to eliminate duplicates Z: 69 36.084 2.064 0.532 0.590 0.926 0.559 CB 1.370 69 residues pruned to eliminate duplicates Z: 55 36.461 2.102 0.783 0.553 0.907 0.500 CB 1.386 55 residues pruned to eliminate duplicates Z: 14 22.421 1.936 0.886 0.839 1.000 0.692 CA 1.272 14 residues pruned to eliminate duplicates Z: 18 28.247 1.980 0.788 0.915 0.941 0.765 CA 1.453 18 residues pruned to eliminate duplicates Z: 16 17.484 1.896 0.279 0.892 1.000 0.667 CA 1.337 16 residues pruned to eliminate duplicates Z: 19 25.022 2.032 1.112 0.686 0.889 0.722 CB 1.303 19 residues pruned to eliminate duplicates Z: 15 10.263 2.036 0.407 0.424 0.786 0.571 CB 1.319 15 residues pruned to eliminate duplicates Z: 18 25.934 1.968 0.567 0.886 1.000 0.824 CA 1.472 18 residues pruned to eliminate duplicates Z: 18 26.487 2.013 1.012 0.883 0.941 0.765 CA 1.218 18 residues pruned to eliminate duplicates Z: 20 28.769 2.208 0.657 0.875 0.895 0.789 CA 1.467 20 residues pruned to eliminate duplicates Z: 18 24.233 1.849 0.650 0.889 1.000 0.471 CB 1.387 17 residues pruned to eliminate duplicates Z: 12 26.330 2.277 0.723 0.927 1.000 0.545 CB 1.418 12 residues pruned to eliminate duplicates Z: 14 12.566 1.849 0.454 0.479 0.923 0.692 CB 1.434 14 residues pruned to eliminate duplicates Z: 31 27.123 2.117 0.647 0.632 0.933 0.733 CB 1.344 31 residues pruned to eliminate duplicates Z: 6 11.604 2.189 0.221 0.890 1.000 1.000 CB 1.397 6 residues pruned to eliminate duplicates Z: 31 28.956 1.961 0.693 0.671 0.933 0.600 CA 1.457 31 residues pruned to eliminate duplicates Z: 14 18.027 1.937 0.317 0.869 1.000 0.769 CB 1.432 14 residues pruned to eliminate duplicates Z: 19 20.241 1.922 0.407 0.881 0.944 0.611 CB 1.353 19 residues pruned to eliminate duplicates Z: 14 21.000 1.952 0.828 0.873 1.000 0.538 CB 1.188 14 residues pruned to eliminate duplicates Z: 18 29.868 1.995 0.733 0.895 1.000 0.647 CB 1.502 18 residues pruned to eliminate duplicates Z: 16 30.754 2.033 0.619 0.934 1.000 0.800 CB 1.682 23 residues pruned to eliminate duplicates Z: 26 16.484 1.926 0.510 0.610 0.880 0.600 CB 1.161 26 residues pruned to eliminate duplicates Z: 13 19.127 2.040 0.424 0.853 1.000 0.833 CB 1.404 13 residues pruned to eliminate duplicates Z: 72 31.667 1.938 0.590 0.470 0.930 0.507 CB 1.353 72 residues pruned to eliminate duplicates Z: 16 18.386 1.818 0.332 0.926 1.000 0.867 CB 1.375 16 residues pruned to eliminate duplicates Z: 17 33.419 2.074 1.097 0.906 1.000 0.812 CA 1.366 17 residues pruned to eliminate duplicates Z: 12 26.750 2.103 0.819 0.923 1.000 0.909 CA 1.482 12 residues pruned to eliminate duplicates Z: 20 24.482 2.148 0.397 0.872 1.000 0.737 CA 1.365 20 residues pruned to eliminate duplicates Z: 24 28.083 1.991 0.490 0.784 1.000 0.783 CB 1.538 24 residues pruned to eliminate duplicates Z: 19 26.533 1.921 0.981 0.872 0.889 0.611 CA 1.348 19 residues pruned to eliminate duplicates Z: 58 44.357 2.177 0.723 0.594 0.965 0.579 CB 1.484 54 residues pruned to eliminate duplicates Z: 108 55.524 2.132 0.758 0.580 0.925 0.542 CB 1.433 110 residues pruned to eliminate duplicates Z: 13 32.506 2.073 1.074 0.871 1.000 0.667 CB 1.591 13 residues pruned to eliminate duplicates Z: 13 13.971 1.588 0.695 0.907 1.000 0.750 CB 1.064 Z: 59 36.100 2.029 0.488 0.703 0.931 0.638 CB 1.402 59 residues pruned to eliminate duplicates Z: 117 52.473 2.019 0.612 0.641 0.931 0.526 CB 1.409 117 residues pruned to eliminate duplicates Z: 16 34.653 2.060 1.129 0.943 1.000 0.667 CB 1.414 17 residues pruned to eliminate duplicates Z: 19 17.296 1.712 0.478 0.887 1.000 0.889 CA 1.162 19 residues pruned to eliminate duplicates Z: 13 22.945 2.090 0.579 0.862 1.000 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 16 25.830 2.009 0.650 0.927 1.000 0.600 CB 1.411 16 residues pruned to eliminate duplicates Z: 14 17.309 1.624 0.579 0.891 1.000 0.846 CB 1.347 14 residues pruned to eliminate duplicates Z: 16 16.354 1.905 0.269 0.902 0.933 0.600 CB 1.335 16 residues pruned to eliminate duplicates Z: 97 42.331 2.089 0.596 0.549 0.906 0.615 CB 1.363 97 residues pruned to eliminate duplicates Z: 19 24.151 1.985 0.390 0.925 1.000 0.611 CB 1.448 19 residues pruned to eliminate duplicates Z: 6 4.248 1.866 0.300 0.681 0.600 0.400 CB 1.105 6 residues pruned to eliminate duplicates Z: 18 18.682 1.953 0.546 0.896 0.941 0.765 CA 1.143 18 residues pruned to eliminate duplicates Z: 11 13.945 1.905 0.486 0.669 0.900 0.500 CB 1.481 11 residues pruned to eliminate duplicates Z: 14 20.964 2.036 0.724 0.912 1.000 0.538 CB 1.173 14 residues pruned to eliminate duplicates Z: 17 15.582 1.927 0.034 0.885 0.938 0.750 CB 1.506 17 residues pruned to eliminate duplicates Z: 18 24.290 2.000 0.879 0.886 1.000 0.941 CA 1.131 18 residues pruned to eliminate duplicates Z: 8 7.159 1.891 0.016 0.628 1.000 0.571 CA 1.249 8 residues pruned to eliminate duplicates Z: 19 24.356 1.988 0.693 0.918 0.944 0.611 CB 1.274 19 residues pruned to eliminate duplicates Z: 14 17.837 1.883 0.634 0.846 1.000 0.615 CB 1.194 14 residues pruned to eliminate duplicates Z: 59 43.558 2.057 0.730 0.760 0.914 0.483 CB 1.395 59 residues pruned to eliminate duplicates Z: 15 14.066 1.856 0.547 0.874 0.857 0.643 CB 1.111 15 residues pruned to eliminate duplicates Z: 58 31.739 2.047 0.506 0.534 0.930 0.579 CB 1.418 58 residues pruned to eliminate duplicates Z: 17 30.080 1.965 0.842 0.898 1.000 0.688 CB 1.486 16 residues pruned to eliminate duplicates Z: 15 20.432 1.970 0.515 0.929 1.000 0.714 CA 1.280 15 residues pruned to eliminate duplicates Z: 21 23.091 1.922 0.480 0.855 0.950 0.550 CA 1.410 21 residues pruned to eliminate duplicates Z: 8 14.119 1.944 0.441 0.807 1.000 0.714 CB 1.458 8 residues pruned to eliminate duplicates Z: 12 20.812 2.038 0.592 0.857 1.000 0.818 CB 1.425 12 residues pruned to eliminate duplicates Z: 13 16.034 1.913 0.402 0.882 1.000 0.667 CB 1.248 13 residues pruned to eliminate duplicates Z: 8 9.473 1.957 0.578 0.596 0.857 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 6 6.488 2.018 0.830 0.362 0.600 0.400 CA 1.519 5 residues pruned to eliminate duplicates Z: 17 24.054 2.036 0.751 0.906 1.000 0.875 CA 1.200 17 residues pruned to eliminate duplicates Z: 36 23.344 2.005 0.570 0.566 0.857 0.486 CB 1.371 36 residues pruned to eliminate duplicates Z: 13 17.693 2.019 0.338 0.894 1.000 0.667 CB 1.357 13 residues pruned to eliminate duplicates Z: 67 42.802 2.128 0.635 0.559 0.955 0.667 CB 1.498 67 residues pruned to eliminate duplicates Z: 14 16.494 1.934 0.511 0.867 0.923 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 19.480 1.964 0.716 0.900 0.917 0.500 CB 1.301 14 residues pruned to eliminate duplicates Z: 17 20.748 2.024 0.399 0.794 1.000 0.688 CB 1.415 17 residues pruned to eliminate duplicates Z: 51 29.612 2.017 0.610 0.496 0.940 0.420 CB 1.377 51 residues pruned to eliminate duplicates Z: 14 17.681 1.993 0.340 0.906 0.923 0.385 CB 1.416 14 residues pruned to eliminate duplicates Z: 13 24.044 1.992 0.742 0.915 1.000 0.833 CB 1.413 13 residues pruned to eliminate duplicates Z: 19 18.075 2.000 0.536 0.723 0.944 0.556 CB 1.201 19 residues pruned to eliminate duplicates Z: 12 18.981 1.881 0.450 0.813 1.000 0.818 CA 1.598 12 residues pruned to eliminate duplicates Z: 13 23.953 1.968 0.763 0.922 1.000 0.917 CA 1.402 13 residues pruned to eliminate duplicates Z: 13 20.366 2.028 0.592 0.925 1.000 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 19 39.118 2.283 1.045 0.888 0.944 0.667 CB 1.507 19 residues pruned to eliminate duplicates Z: 30 25.116 2.096 0.639 0.571 0.897 0.483 CB 1.415 30 residues pruned to eliminate duplicates Z: 17 20.161 2.003 0.134 0.932 1.000 0.625 CB 1.549 17 residues pruned to eliminate duplicates Z: 12 20.543 2.067 0.384 0.892 1.000 0.909 CB 1.556 12 residues pruned to eliminate duplicates Z: 18 26.426 2.003 0.769 0.869 0.941 0.706 CA 1.403 18 residues pruned to eliminate duplicates Z: 18 21.397 1.900 0.488 0.906 0.941 0.765 CA 1.387 18 residues pruned to eliminate duplicates Z: 14 21.653 2.014 0.670 0.872 0.846 0.538 CA 1.537 14 residues pruned to eliminate duplicates Z: 39 24.102 2.032 0.422 0.524 0.895 0.474 CB 1.478 39 residues pruned to eliminate duplicates Z: 18 15.993 1.935 0.138 0.843 0.941 0.824 CB 1.394 18 residues pruned to eliminate duplicates Z: 18 28.254 2.310 0.526 0.901 0.941 0.706 CB 1.474 18 residues pruned to eliminate duplicates Z: 18 20.300 1.750 0.507 0.940 1.000 0.588 CA 1.296 18 residues pruned to eliminate duplicates Z: 18 18.106 1.835 0.351 0.890 1.000 0.706 CA 1.274 18 residues pruned to eliminate duplicates Z: 16 18.714 1.930 0.304 0.886 1.000 0.467 CA 1.386 16 residues pruned to eliminate duplicates Z: 8 9.910 2.012 0.169 0.854 0.857 0.714 CB 1.373 8 residues pruned to eliminate duplicates Z: 18 20.408 1.961 0.359 0.861 1.000 0.706 CA 1.365 18 residues pruned to eliminate duplicates Z: 28 28.730 2.135 0.540 0.743 0.963 0.704 CB 1.405 28 residues pruned to eliminate duplicates Z: 19 21.618 2.125 0.735 0.702 0.833 0.611 CB 1.379 19 residues pruned to eliminate duplicates Z: 16 18.204 1.783 0.576 0.916 0.933 0.667 CB 1.266 16 residues pruned to eliminate duplicates Z: 72 47.508 2.178 0.782 0.573 0.915 0.704 CB 1.479 71 residues pruned to eliminate duplicates Z: 19 16.088 1.902 0.453 0.918 0.889 0.556 CB 1.088 19 residues pruned to eliminate duplicates Z: 49 29.695 2.045 0.561 0.717 0.875 0.604 CB 1.261 49 residues pruned to eliminate duplicates Z: 12 17.978 2.084 0.353 0.865 1.000 0.818 CB 1.409 12 residues pruned to eliminate duplicates Z: 48 35.522 2.140 0.623 0.577 0.936 0.596 CB 1.480 48 residues pruned to eliminate duplicates Z: 7 6.183 1.705 0.360 0.680 0.833 0.333 CA 1.107 7 residues pruned to eliminate duplicates Z: 21 15.667 1.635 0.397 0.888 0.950 0.800 CB 1.164 21 residues pruned to eliminate duplicates Z: 17 37.532 2.018 1.086 0.949 1.000 0.500 CB 1.539 17 residues pruned to eliminate duplicates Z: 17 21.252 2.020 0.589 0.894 1.000 0.812 CA 1.187 17 residues pruned to eliminate duplicates Z: 21 17.150 1.821 0.194 0.852 1.000 0.700 CB 1.305 21 residues pruned to eliminate duplicates Z: 7 8.204 1.743 0.546 0.504 0.833 0.667 O 1.485 7 residues pruned to eliminate duplicates Z: 52 47.096 2.165 0.895 0.604 0.961 0.608 CB 1.514 52 residues pruned to eliminate duplicates Z: 14 16.546 1.775 0.558 0.911 1.000 0.692 CB 1.176 14 residues pruned to eliminate duplicates Z: 13 17.842 1.822 0.530 0.912 1.000 0.583 CB 1.308 13 residues pruned to eliminate duplicates Z: 10 22.489 2.163 0.642 0.884 1.000 0.889 CA 1.525 10 residues pruned to eliminate duplicates Z: 32 25.647 2.074 0.524 0.654 1.000 0.677 CA 1.262 32 residues pruned to eliminate duplicates Z: 14 20.297 1.790 0.934 0.910 1.000 0.538 CB 1.153 14 residues pruned to eliminate duplicates Z: 56 30.612 2.098 0.383 0.521 0.945 0.564 CB 1.473 56 residues pruned to eliminate duplicates Z: 20 34.529 2.175 0.823 0.913 1.000 0.842 CA 1.414 20 residues pruned to eliminate duplicates Z: 19 25.401 1.890 0.828 0.853 0.944 0.778 CA 1.357 19 residues pruned to eliminate duplicates Z: 14 21.960 1.892 0.981 0.926 0.923 0.538 CB 1.235 14 residues pruned to eliminate duplicates Z: 9 12.623 2.008 0.342 0.808 0.875 0.750 CB 1.447 9 residues pruned to eliminate duplicates Z: 20 15.791 1.894 0.355 0.894 0.895 0.526 CB 1.131 20 residues pruned to eliminate duplicates Z: 13 20.660 1.994 0.604 0.892 0.917 0.750 CB 1.462 13 residues pruned to eliminate duplicates Z: 7 7.033 1.791 0.305 0.785 0.833 0.833 CB 1.147 7 residues pruned to eliminate duplicates Z: 135 65.319 2.108 0.716 0.646 0.940 0.642 CB 1.448 130 residues pruned to eliminate duplicates Z: 59 30.420 2.038 0.530 0.486 0.914 0.552 CB 1.421 59 residues pruned to eliminate duplicates Z: 21 34.777 2.143 0.866 0.903 0.950 0.800 CB 1.458 21 residues pruned to eliminate duplicates Z: 10 17.762 1.804 0.818 0.839 1.000 0.556 CB 1.348 10 residues pruned to eliminate duplicates Z: 12 16.480 2.045 0.270 0.936 1.000 0.909 CB 1.332 12 residues pruned to eliminate duplicates Z: 28 28.092 2.031 0.576 0.724 1.000 0.778 CB 1.380 27 residues pruned to eliminate duplicates Z: 12 21.910 2.118 0.522 0.839 1.000 0.545 CB 1.530 12 residues pruned to eliminate duplicates Z: 18 27.523 1.894 0.881 0.923 0.941 0.882 CA 1.399 18 residues pruned to eliminate duplicates Z: 18 28.927 1.973 1.023 0.881 0.882 0.412 CA 1.443 18 residues pruned to eliminate duplicates Z: 6 3.294 1.560 0.130 0.649 0.800 0.600 CA 0.909 6 residues pruned to eliminate duplicates Z: 17 25.447 2.046 0.817 0.913 0.938 0.625 CA 1.292 17 residues pruned to eliminate duplicates Z: 16 20.470 1.808 0.489 0.935 0.933 0.600 CB 1.466 16 residues pruned to eliminate duplicates Z: 11 16.780 2.086 0.933 0.572 0.900 0.700 CB 1.364 11 residues pruned to eliminate duplicates Z: 70 40.281 2.010 0.655 0.728 0.913 0.638 CB 1.301 70 residues pruned to eliminate duplicates Z: 57 38.057 2.023 0.690 0.701 0.893 0.518 CB 1.388 57 residues pruned to eliminate duplicates Z: 10 14.050 1.981 0.947 0.590 0.889 0.667 CB 1.253 10 residues pruned to eliminate duplicates Z: 6 6.380 1.616 1.360 0.492 0.800 0.600 CB 0.943 Z: 19 17.889 1.941 0.594 0.701 0.889 0.667 CB 1.277 19 residues pruned to eliminate duplicates Z: 16 24.301 2.071 0.856 0.894 0.933 0.733 CB 1.255 16 residues pruned to eliminate duplicates Z: 12 23.089 2.164 0.499 0.872 1.000 0.636 CA 1.564 12 residues pruned to eliminate duplicates Z: 17 20.744 1.832 0.648 0.891 1.000 0.312 CB 1.235 17 residues pruned to eliminate duplicates Z: 14 14.659 1.951 0.438 0.893 0.769 0.231 CB 1.353 14 residues pruned to eliminate duplicates Z: 16 25.799 2.024 0.819 0.901 1.000 0.533 CB 1.291 16 residues pruned to eliminate duplicates Z: 9 12.820 1.833 0.823 0.477 1.000 0.750 CB 1.388 10 residues pruned to eliminate duplicates Z: 14 18.532 1.787 0.833 0.932 0.923 0.385 CB 1.187 15 residues pruned to eliminate duplicates Z: 18 22.309 1.947 0.398 0.870 1.000 0.882 CA 1.451 18 residues pruned to eliminate duplicates Z: 12 19.084 2.093 0.408 0.917 1.000 0.909 CA 1.378 12 residues pruned to eliminate duplicates Z: 45 32.126 2.142 0.618 0.511 0.932 0.614 CB 1.483 45 residues pruned to eliminate duplicates Z: 26 25.327 1.956 0.558 0.623 1.000 0.520 CA 1.480 26 residues pruned to eliminate duplicates Z: 41 26.596 2.034 0.499 0.473 0.925 0.650 CB 1.532 41 residues pruned to eliminate duplicates Z: 13 9.338 1.666 0.444 0.836 0.917 0.667 CB 0.915 12 residues pruned to eliminate duplicates Z: 13 19.075 2.003 0.584 0.903 1.000 0.500 CB 1.237 13 residues pruned to eliminate duplicates Z: 19 14.201 1.957 0.438 0.427 0.889 0.556 CA 1.444 19 residues pruned to eliminate duplicates Z: 21 23.563 1.930 0.540 0.868 0.950 0.600 CB 1.364 21 residues pruned to eliminate duplicates Z: 7 7.657 1.731 0.566 0.627 0.833 0.333 CA 1.228 7 residues pruned to eliminate duplicates Z: 58 48.253 2.181 0.746 0.605 0.982 0.684 CB 1.546 58 residues pruned to eliminate duplicates Z: 16 12.447 1.921 -0.048 0.835 0.933 0.667 CA 1.410 16 residues pruned to eliminate duplicates Z: 68 44.236 2.029 0.646 0.743 0.925 0.582 CB 1.407 66 residues pruned to eliminate duplicates Z: 7 9.328 2.131 -0.112 0.860 1.000 0.833 CA 1.479 7 residues pruned to eliminate duplicates Z: 16 31.017 2.020 0.936 0.923 1.000 0.533 CA 1.438 16 residues pruned to eliminate duplicates Z: 12 10.683 1.844 0.051 0.856 0.909 0.727 CA 1.348 12 residues pruned to eliminate duplicates Z: 14 17.867 1.830 0.739 0.915 0.846 0.615 CB 1.301 14 residues pruned to eliminate duplicates Z: 29 19.186 1.959 0.636 0.502 0.893 0.571 CB 1.264 29 residues pruned to eliminate duplicates Z: 13 10.280 2.039 -0.032 0.479 0.917 0.583 CB 1.676 13 residues pruned to eliminate duplicates Z: 13 21.997 2.092 0.831 0.845 1.000 0.500 CB 1.233 13 residues pruned to eliminate duplicates Z: 14 8.709 1.947 0.209 0.333 0.923 0.308 CB 1.335 14 residues pruned to eliminate duplicates Z: 20 19.012 1.872 0.516 0.601 1.000 0.474 CA 1.396 20 residues pruned to eliminate duplicates Z: 39 31.436 2.042 0.569 0.547 0.947 0.737 CB 1.605 39 residues pruned to eliminate duplicates Z: 17 30.804 2.087 0.968 0.917 1.000 0.812 CA 1.323 17 residues pruned to eliminate duplicates Z: 24 26.394 2.131 0.924 0.644 0.826 0.783 CB 1.421 24 residues pruned to eliminate duplicates Z: 17 27.120 2.183 0.686 0.864 1.000 0.875 CA 1.351 17 residues pruned to eliminate duplicates Z: 68 43.668 2.150 0.663 0.570 0.955 0.627 CB 1.459 68 residues pruned to eliminate duplicates Z: 7 7.645 1.721 0.492 0.684 1.000 0.833 N 1.026 7 residues pruned to eliminate duplicates Z: 11 8.778 1.967 0.356 0.505 0.700 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 26 32.721 2.101 0.710 0.748 1.000 0.840 CB 1.459 26 residues pruned to eliminate duplicates Z: 24 28.573 2.146 0.589 0.733 1.000 0.696 CB 1.417 24 residues pruned to eliminate duplicates Z: 8 7.084 1.914 -0.101 0.832 1.000 0.857 CB 1.168 8 residues pruned to eliminate duplicates Z: 17 12.995 1.955 -0.060 0.842 0.938 0.750 CA 1.405 17 residues pruned to eliminate duplicates Z: 58 30.864 1.963 0.633 0.470 0.895 0.561 CB 1.469 58 residues pruned to eliminate duplicates Z: 7 4.806 1.558 0.809 0.465 0.833 0.333 CB 0.865 6 residues pruned to eliminate duplicates Z: 25 27.070 1.968 0.573 0.742 0.958 0.333 CB 1.499 25 residues pruned to eliminate duplicates Z: 32 26.610 2.072 0.692 0.646 0.935 0.742 CA 1.271 32 residues pruned to eliminate duplicates Z: 31 29.880 2.005 0.688 0.723 0.900 0.333 CB 1.465 31 residues pruned to eliminate duplicates Z: 31 21.988 1.926 0.541 0.659 0.867 0.733 CB 1.346 31 residues pruned to eliminate duplicates Z: 13 18.436 2.060 0.460 0.876 1.000 0.750 CB 1.286 13 residues pruned to eliminate duplicates Z: 6 7.794 1.536 0.598 0.806 1.000 0.600 CB 1.088 6 residues pruned to eliminate duplicates Z: 12 17.294 1.957 0.392 0.931 1.000 0.545 CB 1.337 12 residues pruned to eliminate duplicates Z: 42 35.448 2.002 0.553 0.753 0.951 0.512 CB 1.494 42 residues pruned to eliminate duplicates Z: 12 26.949 2.150 0.907 0.916 1.000 0.727 CB 1.399 12 residues pruned to eliminate duplicates Z: 23 26.111 2.081 0.873 0.662 0.818 0.636 CB 1.503 23 residues pruned to eliminate duplicates Z: 25 33.408 2.107 0.754 0.775 1.000 0.750 CB 1.447 25 residues pruned to eliminate duplicates Z: 6 7.618 1.894 0.343 0.522 1.000 0.600 CB 1.311 6 residues pruned to eliminate duplicates Z: 13 9.484 1.712 0.531 0.668 0.917 0.667 CA 0.976 13 residues pruned to eliminate duplicates Z: 7 2.761 1.489 0.710 0.370 0.833 0.333 CB 0.611 Z: 8 13.708 2.010 0.429 0.884 1.000 0.857 CB 1.303 8 residues pruned to eliminate duplicates Z: 13 17.260 2.046 0.464 0.830 0.917 0.750 CA 1.366 13 residues pruned to eliminate duplicates Z: 14 10.153 1.612 0.442 0.883 1.000 0.692 CB 0.876 14 residues pruned to eliminate duplicates Z: 12 19.236 1.964 0.742 0.890 0.818 0.455 CA 1.491 12 residues pruned to eliminate duplicates Z: 15 20.183 1.828 0.740 0.923 0.857 0.286 CB 1.390 15 residues pruned to eliminate duplicates Z: 7 3.656 1.500 0.287 0.549 0.833 0.667 CB 0.885 Z: 121 59.001 2.079 0.670 0.678 0.925 0.658 CB 1.424 123 residues pruned to eliminate duplicates Z: 11 12.774 1.816 0.671 0.888 0.900 0.500 CB 1.066 11 residues pruned to eliminate duplicates Z: 18 17.651 1.926 0.301 0.862 0.941 0.706 CA 1.332 18 residues pruned to eliminate duplicates Z: 17 30.331 2.081 1.106 0.911 0.938 0.688 CB 1.309 17 residues pruned to eliminate duplicates Z: 17 14.680 2.038 0.342 0.504 0.875 0.625 CB 1.529 17 residues pruned to eliminate duplicates Z: 14 11.857 1.662 0.410 0.916 1.000 0.769 CB 0.991 14 residues pruned to eliminate duplicates Z: 13 15.478 1.985 0.094 0.862 1.000 0.917 CA 1.511 13 residues pruned to eliminate duplicates Z: 29 25.909 2.022 0.581 0.525 0.964 0.643 CB 1.550 29 residues pruned to eliminate duplicates Z: 12 20.977 2.080 0.477 0.837 1.000 0.727 CB 1.540 12 residues pruned to eliminate duplicates Z: 12 25.627 2.001 1.062 0.888 0.909 0.818 CA 1.484 12 residues pruned to eliminate duplicates Z: 12 14.949 1.783 0.608 0.905 1.000 0.909 CA 1.118 12 residues pruned to eliminate duplicates Z: 8 8.108 1.964 0.143 0.438 1.000 0.714 CB 1.456 8 residues pruned to eliminate duplicates Z: 11 22.305 2.038 1.096 0.886 0.800 0.500 CB 1.489 11 residues pruned to eliminate duplicates Z: 10 5.606 1.440 0.456 0.416 0.889 0.556 N 1.094 Z: 6 3.532 1.821 0.017 0.611 0.800 0.600 CB 0.960 Z: 6 2.654 1.610 -0.176 0.428 1.000 0.600 N 0.964 6 residues pruned to eliminate duplicates Z: 52 36.805 2.101 0.790 0.555 0.941 0.529 CB 1.380 52 residues pruned to eliminate duplicates Z: 11 14.860 1.750 0.648 0.797 1.000 0.500 CB 1.256 11 residues pruned to eliminate duplicates Z: 17 25.597 2.051 0.896 0.892 0.938 0.562 CB 1.261 17 residues pruned to eliminate duplicates Z: 16 11.852 1.710 0.621 0.739 0.933 0.600 CB 0.954 16 residues pruned to eliminate duplicates Z: 17 29.339 2.088 0.963 0.897 1.000 0.375 CB 1.281 17 residues pruned to eliminate duplicates Z: 19 18.965 2.007 0.255 0.848 1.000 0.833 CB 1.317 19 residues pruned to eliminate duplicates Z: 7 7.677 1.875 0.788 0.513 0.833 0.667 CB 1.108 7 residues pruned to eliminate duplicates Z: 17 25.489 1.994 0.669 0.900 1.000 0.750 CA 1.368 17 residues pruned to eliminate duplicates Z: 16 21.283 1.888 0.805 0.849 0.933 0.467 CA 1.281 16 residues pruned to eliminate duplicates Z: 25 29.337 2.121 0.611 0.764 0.958 0.750 CA 1.447 25 residues pruned to eliminate duplicates Z: 41 34.335 2.048 0.600 0.791 0.925 0.600 CB 1.387 41 residues pruned to eliminate duplicates Z: 16 23.442 1.978 0.802 0.886 0.867 0.400 CB 1.414 16 residues pruned to eliminate duplicates Z: 8 3.290 1.741 0.560 0.380 0.714 0.429 CB 0.728 8 residues pruned to eliminate duplicates 6 1.719 1.702 0.146 0.814 0.600 0.200 CA 0.500 ? Z: 58 34.378 2.089 0.591 0.507 0.982 0.561 CB 1.385 58 residues pruned to eliminate duplicates Z: 14 12.931 1.691 0.468 0.901 1.000 0.846 CB 1.031 13 residues pruned to eliminate duplicates Z: 80 47.828 2.011 0.643 0.740 0.949 0.608 CB 1.383 79 residues pruned to eliminate duplicates Z: 17 26.544 2.018 0.550 0.933 1.000 0.875 CA 1.481 17 residues pruned to eliminate duplicates Z: 6 7.237 1.686 0.616 0.615 0.800 0.400 C 1.332 6 residues pruned to eliminate duplicates Z: 9 9.203 2.070 0.315 0.524 0.875 0.625 CB 1.334 11 residues pruned to eliminate duplicates Z: 20 11.904 1.745 0.377 0.576 0.789 0.526 CB 1.338 20 residues pruned to eliminate duplicates Z: 22 27.106 1.998 0.534 0.816 1.000 0.524 CB 1.466 22 residues pruned to eliminate duplicates Z: 7 5.799 1.567 0.485 0.636 0.833 0.667 CA 1.074 7 residues pruned to eliminate duplicates Z: 51 32.663 2.129 0.546 0.544 0.940 0.560 CB 1.431 51 residues pruned to eliminate duplicates Z: 9 9.430 1.733 0.382 0.829 0.875 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 9 5.167 1.634 0.015 0.472 0.875 0.500 CB 1.295 6 residues pruned to eliminate duplicates Z: 13 9.383 1.908 -0.047 0.782 0.917 0.917 CA 1.267 13 residues pruned to eliminate duplicates Z: 9 8.432 1.673 0.291 0.840 1.000 1.000 CA 1.030 9 residues pruned to eliminate duplicates Z: 9 5.197 1.782 0.460 0.258 0.875 0.500 CA 1.065 Z: 82 54.654 2.179 0.772 0.595 0.963 0.593 CB 1.491 82 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 20 26.534 1.960 0.931 0.829 0.947 0.789 CA 1.278 20 residues pruned to eliminate duplicates Z: 20 25.038 1.912 0.943 0.821 0.947 0.789 CA 1.235 20 residues pruned to eliminate duplicates Z: 17 35.282 2.074 1.007 0.926 1.000 0.688 CA 1.486 17 residues pruned to eliminate duplicates Z: 17 29.106 2.051 0.886 0.907 0.938 0.812 CA 1.427 17 residues pruned to eliminate duplicates Z: 33 34.929 2.060 0.584 0.759 0.969 0.688 CA 1.551 33 residues pruned to eliminate duplicates Z: 18 29.333 2.055 0.890 0.855 0.882 0.529 CA 1.533 18 residues pruned to eliminate duplicates Z: 32 35.403 2.070 0.628 0.777 0.968 0.806 CA 1.527 32 residues pruned to eliminate duplicates Z: 19 28.151 1.963 0.928 0.818 0.944 0.722 CA 1.408 19 residues pruned to eliminate duplicates Z: 32 33.972 2.059 0.670 0.759 0.935 0.710 CA 1.506 32 residues pruned to eliminate duplicates Z: 33 37.350 2.071 0.711 0.760 0.969 0.625 CA 1.527 33 residues pruned to eliminate duplicates Z: 32 32.649 2.053 0.721 0.764 0.903 0.613 CA 1.454 32 residues pruned to eliminate duplicates Z: 18 28.431 2.010 0.978 0.841 0.941 0.529 CA 1.374 18 residues pruned to eliminate duplicates Z: 34 34.461 2.006 0.628 0.770 1.000 0.667 CA 1.446 34 residues pruned to eliminate duplicates Z: 33 34.523 1.999 0.650 0.767 1.000 0.531 CA 1.459 33 residues pruned to eliminate duplicates Z: 32 38.736 2.080 0.775 0.776 0.968 0.516 CA 1.527 32 residues pruned to eliminate duplicates Z: 33 34.495 2.030 0.587 0.751 0.969 0.688 CA 1.562 32 residues pruned to eliminate duplicates Z: 21 28.085 2.025 0.775 0.802 0.900 0.700 CA 1.491 22 residues pruned to eliminate duplicates Z: 6 2.983 1.452 0.273 0.399 0.800 0.600 CB 1.004 6 residues pruned to eliminate duplicates Z: 34 36.911 2.034 0.743 0.759 1.000 0.636 CA 1.440 33 residues pruned to eliminate duplicates Z: 22 20.399 1.946 0.270 0.791 1.000 0.714 CB 1.395 22 residues pruned to eliminate duplicates Z: 33 30.341 2.013 0.655 0.722 0.906 0.531 CA 1.454 33 residues pruned to eliminate duplicates Z: 58 39.022 2.049 0.569 0.689 0.930 0.526 CB 1.455 58 residues pruned to eliminate duplicates Z: 33 35.400 2.036 0.755 0.762 0.938 0.625 CA 1.480 33 residues pruned to eliminate duplicates Z: 17 16.378 1.971 0.446 0.564 0.938 0.562 CA 1.441 17 residues pruned to eliminate duplicates Z: 17 15.631 1.894 0.586 0.537 0.938 0.312 CA 1.339 17 residues pruned to eliminate duplicates Z: 34 33.662 1.998 0.792 0.727 0.909 0.485 CB 1.467 34 residues pruned to eliminate duplicates Z: 17 18.911 2.037 0.649 0.624 0.938 0.375 CB 1.336 17 residues pruned to eliminate duplicates Z: 15 13.620 2.054 0.526 0.626 0.786 0.429 CB 1.313 15 residues pruned to eliminate duplicates Z: 9 14.588 2.114 0.899 0.689 0.875 0.375 CB 1.235 9 residues pruned to eliminate duplicates Z: 43 28.265 2.025 0.507 0.708 0.929 0.571 CB 1.275 43 residues pruned to eliminate duplicates Z: 130 55.763 2.053 0.644 0.642 0.907 0.558 CB 1.404 130 residues pruned to eliminate duplicates Z: 100 50.022 2.093 0.554 0.651 0.960 0.636 CB 1.400 100 residues pruned to eliminate duplicates Z: 48 23.024 2.008 0.352 0.657 0.872 0.511 CB 1.226 48 residues pruned to eliminate duplicates Z: 65 46.718 2.070 0.696 0.760 0.938 0.578 CB 1.408 65 residues pruned to eliminate duplicates Z: 60 42.117 2.097 0.681 0.726 0.932 0.627 CB 1.361 60 residues pruned to eliminate duplicates Z: 111 57.426 2.045 0.679 0.681 0.955 0.564 CB 1.414 111 residues pruned to eliminate duplicates Z: 35 29.564 2.097 0.637 0.742 0.912 0.647 CB 1.303 35 residues pruned to eliminate duplicates Z: 61 44.817 2.058 0.711 0.766 0.950 0.583 CB 1.366 62 residues pruned to eliminate duplicates Z: 6 4.861 1.559 0.362 0.477 1.000 1.000 CA 1.048 6 residues pruned to eliminate duplicates Z: 43 33.070 2.043 0.621 0.701 0.952 0.571 CB 1.347 43 residues pruned to eliminate duplicates Z: 31 23.465 2.035 0.386 0.732 0.933 0.533 CB 1.321 31 residues pruned to eliminate duplicates Z: 65 48.435 2.088 0.724 0.775 0.922 0.594 CB 1.431 65 residues pruned to eliminate duplicates Z: 48 33.565 2.085 0.513 0.736 0.936 0.660 CB 1.341 48 residues pruned to eliminate duplicates Z: 65 48.639 2.085 0.718 0.773 0.938 0.547 CB 1.422 65 residues pruned to eliminate duplicates Z: 59 44.726 2.065 0.639 0.767 0.948 0.500 CB 1.444 59 residues pruned to eliminate duplicates Z: 13 19.363 2.113 0.334 0.836 1.000 0.750 CB 1.484 13 residues pruned to eliminate duplicates Z: 79 43.440 2.051 0.634 0.588 0.936 0.628 CB 1.441 79 residues pruned to eliminate duplicates Z: 15 21.990 2.082 0.635 0.782 0.929 0.786 CB 1.450 15 residues pruned to eliminate duplicates Z: 18 20.045 2.014 0.485 0.638 0.941 0.647 CB 1.518 18 residues pruned to eliminate duplicates Z: 66 46.877 2.058 0.691 0.743 0.954 0.538 CB 1.410 66 residues pruned to eliminate duplicates Z: 16 16.831 2.024 0.536 0.625 0.867 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 65 45.597 2.083 0.643 0.755 0.922 0.516 CB 1.440 65 residues pruned to eliminate duplicates Z: 14 16.743 1.919 0.561 0.766 0.923 0.538 CA 1.327 14 residues pruned to eliminate duplicates Z: 98 45.273 2.048 0.495 0.632 0.948 0.711 CB 1.399 98 residues pruned to eliminate duplicates Z: 50 30.861 2.074 0.526 0.705 0.898 0.592 CB 1.287 50 residues pruned to eliminate duplicates Z: 107 56.758 2.072 0.637 0.690 0.981 0.651 CB 1.391 107 residues pruned to eliminate duplicates Z: 74 45.680 2.060 0.683 0.705 0.945 0.562 CB 1.355 74 residues pruned to eliminate duplicates Z: 14 24.750 2.009 1.070 0.768 0.923 0.692 CB 1.410 14 residues pruned to eliminate duplicates Z: 78 40.152 2.025 0.631 0.578 0.909 0.636 CB 1.414 78 residues pruned to eliminate duplicates Z: 105 43.786 2.030 0.530 0.597 0.913 0.635 CB 1.380 105 residues pruned to eliminate duplicates Z: 42 26.878 2.001 0.518 0.600 0.927 0.683 CB 1.355 42 residues pruned to eliminate duplicates Z: 60 33.240 2.020 0.457 0.545 0.966 0.695 CB 1.457 60 residues pruned to eliminate duplicates Z: 14 15.980 1.904 0.533 0.747 0.923 0.615 CB 1.319 14 residues pruned to eliminate duplicates Z: 130 52.769 2.027 0.613 0.614 0.907 0.543 CB 1.407 130 residues pruned to eliminate duplicates Z: 86 38.956 2.080 0.414 0.576 0.929 0.612 CB 1.437 86 residues pruned to eliminate duplicates Z: 52 29.316 1.961 0.531 0.480 0.922 0.647 CB 1.514 52 residues pruned to eliminate duplicates Z: 41 28.357 2.032 0.523 0.490 0.950 0.500 CB 1.541 41 residues pruned to eliminate duplicates Z: 70 31.913 2.031 0.456 0.515 0.928 0.507 CB 1.381 70 residues pruned to eliminate duplicates Z: 66 36.145 2.055 0.571 0.567 0.923 0.585 CB 1.410 66 residues pruned to eliminate duplicates Z: 59 33.530 2.081 0.560 0.547 0.914 0.552 CB 1.419 59 residues pruned to eliminate duplicates Z: 31 25.789 1.991 0.551 0.526 1.000 0.567 CA 1.487 31 residues pruned to eliminate duplicates Z: 71 35.721 2.046 0.547 0.532 0.929 0.571 CB 1.407 71 residues pruned to eliminate duplicates Z: 42 27.670 1.999 0.579 0.487 0.927 0.561 CB 1.497 42 residues pruned to eliminate duplicates Z: 91 45.835 2.068 0.556 0.656 0.944 0.611 CB 1.376 91 residues pruned to eliminate duplicates Z: 56 28.463 2.063 0.352 0.535 0.927 0.582 CB 1.434 56 residues pruned to eliminate duplicates Z: 108 43.542 2.017 0.531 0.584 0.935 0.589 CB 1.346 108 residues pruned to eliminate duplicates Z: 30 25.503 2.030 0.381 0.542 1.000 0.517 CA 1.622 30 residues pruned to eliminate duplicates Z: 35 28.447 2.046 0.520 0.528 0.941 0.647 CB 1.621 35 residues pruned to eliminate duplicates Z: 68 30.847 2.034 0.449 0.612 0.866 0.567 CB 1.328 68 residues pruned to eliminate duplicates Z: 48 30.836 2.125 0.537 0.541 0.936 0.489 CB 1.413 48 residues pruned to eliminate duplicates Z: 89 48.994 2.048 0.747 0.675 0.898 0.557 CB 1.384 89 residues pruned to eliminate duplicates Z: 68 35.698 2.085 0.554 0.550 0.910 0.582 CB 1.407 68 residues pruned to eliminate duplicates Z: 50 26.639 2.094 0.424 0.519 0.857 0.367 CB 1.462 50 residues pruned to eliminate duplicates Z: 37 26.557 2.020 0.454 0.492 0.972 0.611 CB 1.562 37 residues pruned to eliminate duplicates Z: 51 29.092 2.069 0.527 0.534 0.900 0.520 CB 1.400 51 residues pruned to eliminate duplicates Z: 58 32.814 2.095 0.475 0.533 0.947 0.509 CB 1.437 58 residues pruned to eliminate duplicates Z: 36 29.676 2.049 0.576 0.517 1.000 0.714 CB 1.528 36 residues pruned to eliminate duplicates Z: 41 28.466 2.066 0.541 0.482 0.950 0.500 CB 1.515 41 residues pruned to eliminate duplicates Z: 84 41.116 2.035 0.469 0.606 0.964 0.554 CB 1.416 84 residues pruned to eliminate duplicates Z: 74 34.600 2.038 0.576 0.469 0.904 0.411 CB 1.438 74 residues pruned to eliminate duplicates Z: 48 29.793 1.950 0.730 0.543 0.936 0.574 CB 1.319 48 residues pruned to eliminate duplicates Z: 45 29.232 2.018 0.563 0.462 0.955 0.523 CB 1.521 45 residues pruned to eliminate duplicates Z: 50 30.938 2.053 0.505 0.559 0.918 0.490 CB 1.470 50 residues pruned to eliminate duplicates Z: 71 38.577 2.043 0.742 0.557 0.900 0.557 CB 1.362 93 residues pruned to eliminate duplicates Z: 15 20.438 1.983 0.704 0.707 0.929 0.429 CB 1.442 15 residues pruned to eliminate duplicates Z: 54 36.796 2.042 0.622 0.516 0.981 0.566 CB 1.531 54 residues pruned to eliminate duplicates Z: 37 27.350 2.068 0.497 0.529 0.944 0.583 CB 1.515 37 residues pruned to eliminate duplicates Z: 35 29.021 2.100 0.518 0.508 0.971 0.676 CB 1.596 35 residues pruned to eliminate duplicates Z: 103 45.812 2.036 0.538 0.588 0.941 0.529 CB 1.415 103 residues pruned to eliminate duplicates Z: 35 22.464 1.997 0.535 0.424 0.912 0.588 CB 1.492 35 residues pruned to eliminate duplicates Z: 15 16.670 2.064 0.678 0.451 0.857 0.714 CB 1.578 15 residues pruned to eliminate duplicates Z: 39 27.389 1.994 0.571 0.484 0.895 0.579 CB 1.611 39 residues pruned to eliminate duplicates Z: 14 15.717 2.107 0.431 0.487 0.923 0.615 CB 1.587 14 residues pruned to eliminate duplicates Z: 152 62.548 2.055 0.713 0.626 0.927 0.583 CB 1.385 152 residues pruned to eliminate duplicates Z: 98 49.079 2.082 0.634 0.631 0.948 0.546 CB 1.366 98 residues pruned to eliminate duplicates Z: 22 21.883 2.112 0.510 0.636 0.905 0.524 CB 1.457 22 residues pruned to eliminate duplicates Z: 12 11.291 1.929 0.507 0.441 0.818 0.636 CA 1.521 12 residues pruned to eliminate duplicates Z: 76 40.112 2.005 0.585 0.538 0.973 0.613 CB 1.442 76 residues pruned to eliminate duplicates Z: 74 39.940 2.057 0.561 0.530 0.959 0.575 CB 1.474 74 residues pruned to eliminate duplicates Z: 49 28.223 1.970 0.531 0.461 0.979 0.542 CB 1.435 49 residues pruned to eliminate duplicates Z: 31 29.063 2.139 0.735 0.627 0.933 0.733 CB 1.360 31 residues pruned to eliminate duplicates Z: 33 27.831 2.097 0.731 0.589 0.969 0.594 CB 1.284 33 residues pruned to eliminate duplicates Z: 31 29.579 2.138 0.745 0.637 0.933 0.733 CB 1.364 31 residues pruned to eliminate duplicates Z: 32 28.507 2.131 0.762 0.610 0.903 0.484 CB 1.360 32 residues pruned to eliminate duplicates Z: 17 12.148 2.144 0.460 0.362 0.875 0.688 CB 1.286 Z: 6 4.814 2.019 0.195 0.472 0.800 0.800 CA 1.147 6 residues pruned to eliminate duplicates Z: 16 10.243 2.136 0.374 0.345 0.867 0.600 CB 1.230 16 residues pruned to eliminate duplicates Z: 16 14.663 2.183 0.463 0.387 0.933 0.733 CB 1.431 16 residues pruned to eliminate duplicates Z: 8 4.857 1.553 0.782 0.386 0.857 0.429 CB 0.873 8 residues pruned to eliminate duplicates Z: 16 11.250 2.162 0.282 0.326 0.933 0.533 CB 1.360 16 residues pruned to eliminate duplicates Z: 32 23.231 2.098 0.549 0.589 0.903 0.581 CB 1.306 32 residues pruned to eliminate duplicates Z: 85 37.020 2.043 0.609 0.506 0.893 0.548 CB 1.369 85 residues pruned to eliminate duplicates Z: 34 22.762 2.042 0.620 0.576 0.909 0.545 CB 1.225 34 residues pruned to eliminate duplicates Z: 31 27.204 2.146 0.644 0.599 0.967 0.600 CB 1.325 31 residues pruned to eliminate duplicates Z: 32 28.051 2.140 0.652 0.624 0.935 0.677 CB 1.355 32 residues pruned to eliminate duplicates Z: 32 28.903 2.105 0.754 0.609 0.968 0.710 CB 1.310 49 residues pruned to eliminate duplicates Z: 27 19.821 2.152 0.564 0.523 0.885 0.500 CB 1.276 27 residues pruned to eliminate duplicates Z: 32 27.113 2.086 0.765 0.634 0.935 0.613 CB 1.247 32 residues pruned to eliminate duplicates Z: 32 28.419 2.137 0.685 0.609 0.935 0.613 CA 1.366 32 residues pruned to eliminate duplicates Z: 32 29.060 2.103 0.728 0.639 0.968 0.710 CB 1.303 32 residues pruned to eliminate duplicates Z: 31 27.751 2.139 0.681 0.638 0.967 0.500 CB 1.282 31 residues pruned to eliminate duplicates Z: 18 30.015 2.032 1.183 0.894 0.941 0.353 CA 1.251 18 residues pruned to eliminate duplicates Z: 17 33.864 2.108 1.203 0.902 1.000 0.812 CB 1.300 17 residues pruned to eliminate duplicates Z: 32 29.499 2.119 0.757 0.623 0.935 0.581 CA 1.355 32 residues pruned to eliminate duplicates Z: 21 25.682 2.057 1.098 0.721 0.850 0.450 CA 1.282 21 residues pruned to eliminate duplicates Z: 33 29.826 2.089 0.785 0.651 0.969 0.562 CB 1.268 32 residues pruned to eliminate duplicates Z: 17 32.051 2.089 1.111 0.902 1.000 0.500 CB 1.296 17 residues pruned to eliminate duplicates Z: 27 21.642 2.028 0.968 0.672 0.808 0.538 CB 1.124 27 residues pruned to eliminate duplicates Z: 16 14.487 2.210 0.430 0.595 0.867 0.267 CB 1.247 16 residues pruned to eliminate duplicates Z: 56 34.589 2.076 0.568 0.535 0.945 0.436 CB 1.463 56 residues pruned to eliminate duplicates Z: 12 16.977 2.345 0.624 0.663 0.909 0.455 CB 1.271 12 residues pruned to eliminate duplicates Z: 16 16.117 2.071 0.605 0.557 0.933 0.467 CB 1.269 16 residues pruned to eliminate duplicates Z: 13 14.225 2.319 0.358 0.680 0.917 0.667 CB 1.205 13 residues pruned to eliminate duplicates Z: 48 28.070 2.117 0.522 0.489 0.894 0.489 CB 1.438 48 residues pruned to eliminate duplicates Z: 11 11.755 2.320 0.655 0.657 0.800 0.500 CB 1.046 11 residues pruned to eliminate duplicates Z: 110 55.788 2.070 0.692 0.668 0.927 0.560 CB 1.410 110 residues pruned to eliminate duplicates Z: 61 27.538 1.990 0.499 0.443 0.883 0.450 CB 1.431 61 residues pruned to eliminate duplicates Z: 47 34.463 2.149 0.589 0.552 0.935 0.500 CB 1.514 47 residues pruned to eliminate duplicates Z: 15 18.073 2.184 0.622 0.708 0.929 0.286 CB 1.216 15 residues pruned to eliminate duplicates Z: 14 16.499 2.305 0.485 0.722 0.923 0.462 CB 1.185 14 residues pruned to eliminate duplicates Z: 11 8.219 1.979 0.612 0.297 0.900 0.800 CB 1.136 11 residues pruned to eliminate duplicates Z: 10 7.989 2.038 0.279 0.324 0.889 0.556 CB 1.394 10 residues pruned to eliminate duplicates Z: 12 11.305 1.967 0.560 0.324 0.909 0.364 CB 1.483 10 residues pruned to eliminate duplicates Z: 6 2.458 1.582 0.504 0.418 0.600 0.400 CA 0.839 6 residues pruned to eliminate duplicates Z: 25 20.767 1.887 0.554 0.653 0.958 0.542 CA 1.309 25 residues pruned to eliminate duplicates Z: 7 4.628 1.625 0.478 0.458 0.667 0.167 CA 1.231 7 residues pruned to eliminate duplicates Z: 21 22.382 1.927 0.461 0.776 1.000 0.700 CA 1.392 21 residues pruned to eliminate duplicates Z: 21 15.583 1.902 0.469 0.648 0.900 0.600 CA 1.207 21 residues pruned to eliminate duplicates Z: 27 15.974 1.805 0.359 0.639 0.885 0.654 CA 1.267 27 residues pruned to eliminate duplicates Z: 35 22.482 1.897 0.447 0.574 0.941 0.618 CA 1.390 40 residues pruned to eliminate duplicates Z: 14 17.786 1.900 0.439 0.874 1.000 0.615 CA 1.313 14 residues pruned to eliminate duplicates Z: 23 22.502 1.871 0.599 0.730 0.909 0.682 CA 1.434 23 residues pruned to eliminate duplicates Z: 19 19.778 1.790 0.477 0.854 1.000 0.500 CA 1.302 19 residues pruned to eliminate duplicates Z: 17 17.228 1.860 0.241 0.869 1.000 0.750 CA 1.363 17 residues pruned to eliminate duplicates Z: 18 19.434 1.830 0.525 0.866 0.882 0.471 CB 1.401 18 residues pruned to eliminate duplicates Z: 16 23.376 1.866 0.557 0.935 1.000 0.867 CB 1.447 15 residues pruned to eliminate duplicates Z: 14 18.460 1.739 0.583 0.913 0.923 0.692 CB 1.426 14 residues pruned to eliminate duplicates Z: 17 24.239 1.861 0.821 0.920 0.938 0.250 CB 1.344 17 residues pruned to eliminate duplicates Z: 16 20.381 1.825 0.661 0.916 0.933 0.400 CB 1.313 16 residues pruned to eliminate duplicates Z: 13 15.285 1.604 0.815 0.889 1.000 0.583 CB 1.092 13 residues pruned to eliminate duplicates Z: 17 23.579 1.833 0.825 0.942 1.000 0.375 CB 1.223 17 residues pruned to eliminate duplicates Z: 25 23.348 1.876 0.731 0.694 0.875 0.500 CB 1.405 25 residues pruned to eliminate duplicates Z: 21 21.074 1.724 0.751 0.825 0.950 0.500 CB 1.240 21 residues pruned to eliminate duplicates Z: 17 25.746 1.883 0.744 0.938 1.000 0.500 CB 1.363 17 residues pruned to eliminate duplicates Z: 35 24.234 1.850 0.706 0.548 0.971 0.324 CB 1.295 35 residues pruned to eliminate duplicates Z: 16 24.309 1.911 0.680 0.897 0.933 0.333 CB 1.499 16 residues pruned to eliminate duplicates Z: 11 9.440 1.937 0.944 0.371 0.700 0.400 CB 1.300 10 residues pruned to eliminate duplicates Z: 6 6.122 1.440 0.785 0.451 1.000 0.800 CB 1.120 Z: 6 3.033 1.502 0.445 0.382 0.800 0.200 N 0.886 5 residues pruned to eliminate duplicates Z: 8 2.633 1.360 0.368 0.443 0.714 0.143 CB 0.794 8 residues pruned to eliminate duplicates Z: 19 10.769 1.990 0.967 0.270 0.667 0.444 CB 1.264 26 residues pruned to eliminate duplicates Z: 6 2.212 1.715 0.422 0.258 0.800 0.400 CB 0.669 6 residues pruned to eliminate duplicates Z: 36 26.053 2.054 0.699 0.572 0.829 0.629 CB 1.421 36 residues pruned to eliminate duplicates Z: 28 24.105 2.041 0.524 0.641 0.926 0.593 CB 1.411 28 residues pruned to eliminate duplicates Z: 24 21.829 1.905 0.557 0.629 0.957 0.522 CA 1.421 24 residues pruned to eliminate duplicates Z: 36 23.436 1.980 0.840 0.577 0.800 0.543 CB 1.262 36 residues pruned to eliminate duplicates Z: 62 34.393 2.076 0.604 0.544 0.918 0.639 CB 1.380 68 residues pruned to eliminate duplicates Z: 22 23.923 1.895 0.470 0.821 1.000 0.571 CA 1.419 22 residues pruned to eliminate duplicates Z: 27 25.356 1.949 0.570 0.735 0.962 0.654 CB 1.368 27 residues pruned to eliminate duplicates Z: 27 25.650 1.994 0.478 0.725 0.962 0.423 CB 1.450 27 residues pruned to eliminate duplicates Z: 38 30.203 1.951 0.806 0.613 0.919 0.595 CB 1.378 38 residues pruned to eliminate duplicates Z: 29 23.638 2.029 0.719 0.642 0.821 0.571 CB 1.366 29 residues pruned to eliminate duplicates Z: 26 29.301 2.018 0.744 0.728 0.920 0.520 CB 1.473 26 residues pruned to eliminate duplicates Z: 23 23.254 1.852 0.678 0.777 1.000 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 27 24.973 2.072 0.690 0.684 0.885 0.423 CB 1.335 27 residues pruned to eliminate duplicates Z: 22 19.424 1.884 0.799 0.793 0.857 0.429 CB 1.128 22 residues pruned to eliminate duplicates Z: 35 28.371 2.076 0.744 0.605 0.882 0.471 CB 1.378 35 residues pruned to eliminate duplicates Z: 37 27.764 1.975 0.750 0.606 0.889 0.556 CB 1.361 37 residues pruned to eliminate duplicates Z: 24 29.884 2.061 0.953 0.749 0.870 0.435 CB 1.426 24 residues pruned to eliminate duplicates Z: 20 24.177 1.930 0.821 0.925 0.842 0.421 CB 1.315 19 residues pruned to eliminate duplicates Z: 21 25.782 1.881 0.818 0.921 0.950 0.400 CB 1.248 21 residues pruned to eliminate duplicates Z: 22 19.316 1.889 0.669 0.855 0.762 0.238 CB 1.295 22 residues pruned to eliminate duplicates Z: 15 18.886 1.797 0.819 0.887 0.929 0.500 CB 1.200 15 residues pruned to eliminate duplicates Z: 20 24.242 1.999 0.681 0.836 0.947 0.211 CB 1.308 20 residues pruned to eliminate duplicates Z: 15 17.926 1.793 0.816 0.875 1.000 0.500 CB 1.070 15 residues pruned to eliminate duplicates Z: 13 10.628 1.716 0.360 0.811 1.000 0.583 CB 1.003 13 residues pruned to eliminate duplicates Z: 14 10.613 1.740 0.506 0.814 0.923 0.615 CB 0.926 14 residues pruned to eliminate duplicates Z: 16 9.099 1.581 0.345 0.780 1.000 0.667 CB 0.863 16 residues pruned to eliminate duplicates Z: 14 10.138 1.726 0.590 0.818 0.846 0.769 CB 0.919 14 residues pruned to eliminate duplicates Z: 15 9.643 1.697 0.425 0.660 0.857 0.429 CB 1.072 15 residues pruned to eliminate duplicates Z: 77 41.412 2.054 0.661 0.601 0.921 0.684 CB 1.373 77 residues pruned to eliminate duplicates Z: 136 60.099 2.084 0.573 0.657 0.941 0.659 CB 1.449 136 residues pruned to eliminate duplicates Z: 14 12.054 1.730 0.412 0.807 1.000 0.692 CB 1.047 14 residues pruned to eliminate duplicates Z: 49 21.597 1.831 0.296 0.689 0.896 0.667 CB 1.233 49 residues pruned to eliminate duplicates Z: 78 38.021 1.979 0.532 0.717 0.896 0.610 CB 1.310 78 residues pruned to eliminate duplicates Z: 16 10.930 1.747 0.342 0.709 0.933 0.667 CB 1.067 16 residues pruned to eliminate duplicates Z: 10 7.044 1.761 0.434 0.553 0.778 0.333 CB 1.136 10 residues pruned to eliminate duplicates Z: 14 9.681 1.717 0.323 0.806 0.923 0.538 CB 0.981 14 residues pruned to eliminate duplicates Z: 60 32.190 1.927 0.457 0.750 0.932 0.661 CB 1.280 60 residues pruned to eliminate duplicates Z: 146 58.720 2.100 0.565 0.644 0.931 0.593 CB 1.394 146 residues pruned to eliminate duplicates Z: 12 22.645 2.039 0.744 0.823 1.000 0.545 CA 1.452 12 residues pruned to eliminate duplicates Z: 33 24.504 1.920 0.493 0.725 0.875 0.656 CA 1.410 33 residues pruned to eliminate duplicates Z: 122 61.579 2.119 0.620 0.670 0.942 0.686 CB 1.479 122 residues pruned to eliminate duplicates Z: 139 60.993 2.073 0.611 0.658 0.942 0.601 CB 1.425 139 residues pruned to eliminate duplicates Z: 133 61.525 2.080 0.656 0.632 0.955 0.523 CB 1.439 133 residues pruned to eliminate duplicates Z: 66 40.928 2.011 0.593 0.730 0.908 0.600 CB 1.419 66 residues pruned to eliminate duplicates Z: 39 24.757 1.923 0.503 0.729 0.895 0.632 CB 1.264 39 residues pruned to eliminate duplicates Z: 56 30.274 1.878 0.373 0.744 0.945 0.618 CB 1.346 56 residues pruned to eliminate duplicates Z: 40 25.952 1.909 0.479 0.731 0.923 0.641 CB 1.295 40 residues pruned to eliminate duplicates Z: 53 28.707 1.915 0.298 0.763 0.904 0.615 CB 1.403 53 residues pruned to eliminate duplicates Z: 20 22.753 1.915 0.575 0.793 0.947 0.632 CB 1.412 20 residues pruned to eliminate duplicates Z: 44 26.213 1.920 0.408 0.759 0.930 0.651 CB 1.263 44 residues pruned to eliminate duplicates Z: 31 25.181 1.959 0.485 0.754 0.900 0.633 CB 1.399 31 residues pruned to eliminate duplicates Z: 29 24.813 1.957 0.489 0.712 0.929 0.643 CB 1.429 29 residues pruned to eliminate duplicates Z: 39 28.269 1.974 0.310 0.781 0.947 0.737 CA 1.462 39 residues pruned to eliminate duplicates Z: 66 46.189 2.050 0.612 0.748 0.938 0.662 CB 1.480 66 residues pruned to eliminate duplicates Z: 30 26.485 1.964 0.549 0.752 0.862 0.690 CB 1.497 30 residues pruned to eliminate duplicates Z: 44 24.950 1.876 0.384 0.725 0.930 0.558 CB 1.286 44 residues pruned to eliminate duplicates Z: 44 27.398 1.923 0.436 0.750 0.930 0.581 CB 1.301 44 residues pruned to eliminate duplicates Z: 33 24.763 1.952 0.513 0.716 0.844 0.531 CB 1.444 33 residues pruned to eliminate duplicates Z: 133 59.187 2.103 0.673 0.644 0.924 0.606 CB 1.384 133 residues pruned to eliminate duplicates Z: 34 23.010 1.831 0.584 0.673 0.879 0.455 CB 1.339 34 residues pruned to eliminate duplicates Z: 30 17.125 1.858 0.166 0.672 0.862 0.586 CB 1.452 30 residues pruned to eliminate duplicates Z: 130 60.160 2.112 0.629 0.646 0.915 0.597 CB 1.469 130 residues pruned to eliminate duplicates Z: 108 56.885 2.094 0.641 0.682 0.925 0.589 CB 1.463 108 residues pruned to eliminate duplicates Z: 120 60.172 2.099 0.722 0.643 0.916 0.605 CB 1.458 120 residues pruned to eliminate duplicates Z: 44 37.382 2.081 0.609 0.746 0.953 0.512 CB 1.433 44 residues pruned to eliminate duplicates Z: 53 38.944 1.992 0.644 0.742 0.942 0.500 CB 1.409 53 residues pruned to eliminate duplicates Z: 78 40.490 1.980 0.578 0.720 0.896 0.584 CB 1.351 78 residues pruned to eliminate duplicates Z: 80 49.146 2.008 0.734 0.742 0.924 0.494 CB 1.384 80 residues pruned to eliminate duplicates Z: 44 34.369 2.029 0.728 0.727 0.860 0.465 CB 1.416 44 residues pruned to eliminate duplicates Z: 131 63.718 2.106 0.708 0.655 0.938 0.631 CB 1.434 131 residues pruned to eliminate duplicates Z: 60 36.467 1.925 0.581 0.749 0.949 0.610 CB 1.316 60 residues pruned to eliminate duplicates Z: 77 48.324 1.985 0.652 0.761 0.947 0.579 CB 1.415 77 residues pruned to eliminate duplicates Z: 17 24.864 2.004 0.735 0.911 0.938 0.750 CB 1.351 17 residues pruned to eliminate duplicates Z: 29 25.546 1.935 0.555 0.725 0.929 0.464 CB 1.410 29 residues pruned to eliminate duplicates Z: 101 51.538 2.070 0.725 0.634 0.900 0.590 CB 1.414 101 residues pruned to eliminate duplicates Z: 47 40.466 2.063 0.815 0.743 0.891 0.478 CB 1.439 47 residues pruned to eliminate duplicates Z: 137 58.471 2.099 0.588 0.641 0.912 0.588 CB 1.446 137 residues pruned to eliminate duplicates Z: 63 46.232 2.087 0.849 0.689 0.919 0.565 CB 1.392 63 residues pruned to eliminate duplicates Z: 52 38.247 1.998 0.738 0.678 0.922 0.549 CB 1.420 52 residues pruned to eliminate duplicates Z: 121 66.491 2.137 0.719 0.665 0.950 0.633 CB 1.492 121 residues pruned to eliminate duplicates Z: 88 50.582 2.103 0.699 0.654 0.908 0.598 CB 1.448 88 residues pruned to eliminate duplicates Z: 70 44.182 2.048 0.679 0.694 0.884 0.580 CB 1.464 70 residues pruned to eliminate duplicates Z: 63 42.780 2.085 0.696 0.705 0.887 0.597 CB 1.438 63 residues pruned to eliminate duplicates Z: 68 51.667 2.069 0.830 0.718 0.940 0.507 CB 1.456 68 residues pruned to eliminate duplicates Z: 65 44.868 2.156 0.697 0.613 0.922 0.688 CB 1.494 65 residues pruned to eliminate duplicates Z: 119 58.178 2.107 0.704 0.600 0.949 0.576 CB 1.429 119 residues pruned to eliminate duplicates Z: 20 34.216 2.201 0.950 0.758 0.947 0.737 CA 1.534 20 residues pruned to eliminate duplicates Z: 79 51.201 2.168 0.825 0.578 0.910 0.654 CB 1.493 79 residues pruned to eliminate duplicates Z: 91 50.205 2.170 0.743 0.549 0.911 0.556 CB 1.464 91 residues pruned to eliminate duplicates Z: 108 55.156 2.121 0.692 0.599 0.935 0.598 CB 1.447 108 residues pruned to eliminate duplicates Z: 66 45.387 2.050 0.612 0.746 0.938 0.554 CB 1.457 66 residues pruned to eliminate duplicates Z: 40 39.549 2.102 0.854 0.722 0.949 0.641 CB 1.401 40 residues pruned to eliminate duplicates Z: 135 55.939 2.052 0.638 0.642 0.910 0.634 CB 1.383 135 residues pruned to eliminate duplicates Z: 22 26.069 2.173 0.751 0.671 0.905 0.810 CB 1.411 22 residues pruned to eliminate duplicates Z: 76 51.534 2.207 0.669 0.603 0.960 0.707 CB 1.525 76 residues pruned to eliminate duplicates Z: 65 47.777 2.049 0.771 0.748 0.906 0.688 CB 1.455 65 residues pruned to eliminate duplicates Z: 80 49.408 2.141 0.655 0.585 0.962 0.684 CB 1.503 80 residues pruned to eliminate duplicates Z: 39 34.436 2.100 0.644 0.713 0.895 0.684 CB 1.491 39 residues pruned to eliminate duplicates Z: 78 49.647 2.170 0.714 0.578 0.935 0.584 CB 1.508 78 residues pruned to eliminate duplicates Z: 77 53.369 2.184 0.793 0.591 0.947 0.605 CB 1.512 77 residues pruned to eliminate duplicates Z: 129 59.763 2.099 0.662 0.635 0.922 0.625 CB 1.446 129 residues pruned to eliminate duplicates Z: 122 64.486 2.132 0.725 0.660 0.926 0.612 CB 1.484 122 residues pruned to eliminate duplicates Z: 78 46.923 2.187 0.718 0.575 0.883 0.688 CB 1.500 78 residues pruned to eliminate duplicates Z: 123 59.201 2.104 0.676 0.639 0.926 0.639 CB 1.441 123 residues pruned to eliminate duplicates Z: 58 47.000 2.169 0.721 0.574 0.982 0.596 CB 1.581 58 residues pruned to eliminate duplicates Z: 56 40.166 2.175 0.625 0.539 0.945 0.545 CB 1.559 56 residues pruned to eliminate duplicates Z: 72 44.189 2.145 0.658 0.586 0.915 0.549 CB 1.483 72 residues pruned to eliminate duplicates Z: 77 51.132 2.178 0.755 0.591 0.947 0.658 CB 1.484 77 residues pruned to eliminate duplicates Z: 70 42.424 2.162 0.665 0.521 0.942 0.565 CB 1.475 70 residues pruned to eliminate duplicates Z: 62 38.348 2.130 0.590 0.546 0.934 0.639 CB 1.483 62 residues pruned to eliminate duplicates Z: 75 39.033 2.089 0.656 0.500 0.919 0.622 CB 1.428 75 residues pruned to eliminate duplicates Z: 59 39.464 2.151 0.605 0.547 0.931 0.690 CB 1.539 59 residues pruned to eliminate duplicates Z: 57 43.778 2.196 0.610 0.582 0.982 0.625 CB 1.556 57 residues pruned to eliminate duplicates Z: 74 41.244 2.058 0.616 0.611 0.932 0.616 CB 1.402 74 residues pruned to eliminate duplicates Z: 121 62.651 2.121 0.669 0.654 0.958 0.583 CB 1.462 121 residues pruned to eliminate duplicates Z: 93 48.733 2.167 0.686 0.589 0.902 0.598 CB 1.415 93 residues pruned to eliminate duplicates Z: 79 36.655 2.110 0.554 0.511 0.923 0.551 CB 1.356 79 residues pruned to eliminate duplicates Z: 124 62.613 2.119 0.739 0.635 0.919 0.520 CB 1.470 124 residues pruned to eliminate duplicates Z: 70 40.545 2.166 0.560 0.566 0.928 0.681 CB 1.460 70 residues pruned to eliminate duplicates Z: 71 42.415 2.166 0.699 0.524 0.914 0.586 CB 1.471 71 residues pruned to eliminate duplicates Z: 92 55.604 2.199 0.747 0.597 0.912 0.692 CB 1.516 92 residues pruned to eliminate duplicates Z: 86 57.055 2.140 0.775 0.682 0.941 0.671 CB 1.465 86 residues pruned to eliminate duplicates Z: 75 40.895 2.162 0.592 0.538 0.905 0.581 CB 1.470 75 residues pruned to eliminate duplicates Z: 91 50.616 2.155 0.719 0.575 0.933 0.622 CB 1.436 91 residues pruned to eliminate duplicates Z: 60 43.358 2.157 0.774 0.559 0.949 0.695 CB 1.468 60 residues pruned to eliminate duplicates Z: 61 41.683 2.142 0.681 0.577 0.933 0.533 CB 1.487 61 residues pruned to eliminate duplicates Z: 123 63.485 2.109 0.664 0.644 0.951 0.631 CB 1.506 123 residues pruned to eliminate duplicates Z: 46 36.819 2.162 0.604 0.506 0.978 0.667 CB 1.608 46 residues pruned to eliminate duplicates Z: 58 42.501 2.162 0.614 0.579 0.947 0.579 CB 1.579 58 residues pruned to eliminate duplicates Z: 46 34.459 2.152 0.552 0.522 0.978 0.644 CB 1.539 46 residues pruned to eliminate duplicates Z: 59 45.203 2.148 0.723 0.571 0.983 0.655 CB 1.524 59 residues pruned to eliminate duplicates Z: 79 49.127 2.183 0.728 0.564 0.910 0.628 CB 1.523 79 residues pruned to eliminate duplicates Z: 57 44.785 2.166 0.732 0.571 0.982 0.643 CB 1.517 57 residues pruned to eliminate duplicates Z: 60 41.296 2.143 0.743 0.533 0.932 0.576 CB 1.495 60 residues pruned to eliminate duplicates Z: 62 45.542 2.155 0.707 0.581 0.967 0.689 CB 1.516 62 residues pruned to eliminate duplicates Z: 84 50.825 2.166 0.686 0.595 0.940 0.687 CB 1.485 84 residues pruned to eliminate duplicates Z: 41 42.203 2.169 0.822 0.655 0.950 0.700 CB 1.540 41 residues pruned to eliminate duplicates Z: 57 43.107 2.191 0.722 0.566 0.911 0.661 CB 1.573 57 residues pruned to eliminate duplicates Z: 96 55.376 2.153 0.772 0.599 0.905 0.653 CB 1.496 96 residues pruned to eliminate duplicates Z: 57 46.539 2.193 0.746 0.571 0.964 0.661 CB 1.573 57 residues pruned to eliminate duplicates Z: 118 54.526 2.098 0.691 0.597 0.897 0.607 CB 1.443 118 residues pruned to eliminate duplicates Z: 60 42.563 2.134 0.700 0.551 0.949 0.576 CB 1.532 60 residues pruned to eliminate duplicates Z: 46 37.244 2.189 0.662 0.518 0.978 0.511 CB 1.533 46 residues pruned to eliminate duplicates Z: 60 42.815 2.161 0.760 0.542 0.932 0.610 CB 1.509 60 residues pruned to eliminate duplicates Z: 46 32.614 2.162 0.536 0.488 0.956 0.489 CB 1.550 46 residues pruned to eliminate duplicates Z: 57 44.613 2.210 0.767 0.570 0.946 0.589 CB 1.507 57 residues pruned to eliminate duplicates Z: 59 40.687 2.160 0.736 0.557 0.914 0.534 CB 1.475 59 residues pruned to eliminate duplicates Z: 56 43.604 2.219 0.727 0.581 0.927 0.636 CB 1.530 56 residues pruned to eliminate duplicates Z: 67 43.185 2.158 0.770 0.517 0.939 0.621 CB 1.457 67 residues pruned to eliminate duplicates Z: 58 42.133 2.178 0.708 0.561 0.930 0.632 CB 1.520 58 residues pruned to eliminate duplicates Z: 67 48.772 2.211 0.813 0.563 0.939 0.652 CB 1.500 67 residues pruned to eliminate duplicates Z: 58 42.136 2.153 0.756 0.552 0.930 0.561 CB 1.510 58 residues pruned to eliminate duplicates Z: 58 47.126 2.182 0.706 0.607 0.965 0.684 CB 1.569 58 residues pruned to eliminate duplicates Z: 55 43.463 2.222 0.695 0.568 0.944 0.593 CB 1.557 55 residues pruned to eliminate duplicates Z: 57 46.043 2.187 0.749 0.572 0.982 0.679 CB 1.529 57 residues pruned to eliminate duplicates Z: 45 36.352 2.163 0.669 0.536 0.977 0.545 CB 1.499 45 residues pruned to eliminate duplicates Z: 73 45.540 2.147 0.704 0.564 0.931 0.639 CB 1.481 73 residues pruned to eliminate duplicates Z: 61 38.536 2.109 0.702 0.554 0.917 0.583 CB 1.434 61 residues pruned to eliminate duplicates Z: 72 49.852 2.166 0.811 0.571 0.930 0.563 CB 1.516 72 residues pruned to eliminate duplicates Z: 60 40.300 2.182 0.711 0.514 0.932 0.610 CB 1.487 60 residues pruned to eliminate duplicates Z: 101 54.860 2.147 0.795 0.565 0.930 0.540 CB 1.437 101 residues pruned to eliminate duplicates Z: 9 14.082 1.846 0.426 0.876 1.000 0.750 CB 1.374 9 residues pruned to eliminate duplicates Z: 72 49.935 2.190 0.709 0.592 0.972 0.634 CB 1.492 72 residues pruned to eliminate duplicates Z: 16 20.626 2.140 0.801 0.561 0.933 0.467 CB 1.396 16 residues pruned to eliminate duplicates Z: 73 43.034 2.160 0.702 0.568 0.889 0.500 CB 1.453 73 residues pruned to eliminate duplicates Z: 73 47.060 2.165 0.661 0.576 0.944 0.597 CB 1.518 73 residues pruned to eliminate duplicates Z: 19 14.896 1.964 0.739 0.520 0.833 0.333 CB 1.210 19 residues pruned to eliminate duplicates Z: 8 11.448 2.036 0.913 0.537 0.714 0.429 CA 1.499 8 residues pruned to eliminate duplicates Z: 72 49.504 2.186 0.755 0.594 0.944 0.521 CB 1.483 73 residues pruned to eliminate duplicates Z: 6 6.376 1.754 1.438 0.290 0.600 0.600 N 1.408 6 residues pruned to eliminate duplicates Z: 28 31.396 2.147 0.859 0.728 0.815 0.593 CA 1.513 27 residues pruned to eliminate duplicates Z: 21 26.255 2.140 0.591 0.807 0.900 0.550 CA 1.465 21 residues pruned to eliminate duplicates Z: 20 11.810 2.050 0.654 0.483 0.684 0.474 CB 1.188 20 residues pruned to eliminate duplicates Z: 23 31.380 2.099 0.986 0.776 0.955 0.682 CB 1.318 23 residues pruned to eliminate duplicates Z: 20 36.035 2.220 0.812 0.893 1.000 0.684 CA 1.475 20 residues pruned to eliminate duplicates Z: 24 27.822 2.147 0.609 0.720 1.000 0.652 CB 1.376 24 residues pruned to eliminate duplicates Z: 26 26.044 2.043 0.718 0.652 0.880 0.600 CA 1.463 26 residues pruned to eliminate duplicates Z: 20 32.484 2.280 0.762 0.797 0.947 0.632 CA 1.511 20 residues pruned to eliminate duplicates Z: 24 29.162 2.145 0.709 0.707 0.913 0.652 CA 1.505 24 residues pruned to eliminate duplicates Z: 27 26.027 2.077 0.697 0.644 0.885 0.462 CA 1.432 27 residues pruned to eliminate duplicates Z: 22 39.155 2.221 1.128 0.768 0.952 0.619 CB 1.497 23 residues pruned to eliminate duplicates Z: 21 30.378 2.145 0.792 0.841 0.900 0.600 CA 1.464 21 residues pruned to eliminate duplicates Z: 21 36.475 2.214 0.903 0.814 0.950 0.550 CB 1.550 21 residues pruned to eliminate duplicates Z: 20 35.580 2.290 1.041 0.834 0.895 0.632 CB 1.463 20 residues pruned to eliminate duplicates Z: 24 33.070 2.101 0.958 0.726 0.957 0.696 CB 1.429 24 residues pruned to eliminate duplicates Z: 24 30.829 2.122 0.901 0.721 0.870 0.696 CB 1.501 24 residues pruned to eliminate duplicates Z: 28 30.363 2.035 0.850 0.702 0.926 0.704 CB 1.394 28 residues pruned to eliminate duplicates Z: 25 32.636 2.131 0.878 0.747 0.917 0.625 CB 1.457 25 residues pruned to eliminate duplicates Z: 25 29.022 2.070 0.902 0.701 0.875 0.542 CB 1.432 25 residues pruned to eliminate duplicates Z: 28 28.767 1.990 0.960 0.707 0.926 0.556 CB 1.270 28 residues pruned to eliminate duplicates 389 residues left after pruning, divided into chains as follows: A: 32 B: 185 C: 172 CC for partial structure against native data = 39.74 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.388, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.440, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.535, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.545, Connect. = 0.767 for dens.mod. cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.769 for dens.mod. cycle 5 = 0.300, Contrast = 0.564, Connect. = 0.771 for dens.mod. cycle 6 = 0.300, Contrast = 0.571, Connect. = 0.772 for dens.mod. cycle 7 = 0.300, Contrast = 0.576, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.580, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.583, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2337 peaks > 0.5 sigma used to seed fragment search Space for about 494 unique residues taking solvent into account 508 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 29.056 2.202 0.680 0.873 0.947 0.684 CB 1.386 B: 19 35.580 2.251 0.805 0.899 1.000 0.667 CB 1.476 20 residues pruned to eliminate duplicates C: 9 7.213 1.885 0.049 0.735 0.875 0.625 CB 1.194 D: 15 17.287 1.992 0.101 0.935 1.000 0.714 CA 1.468 E: 15 29.655 2.272 0.653 0.884 1.000 0.643 CA 1.525 15 residues pruned to eliminate duplicates F: 45 37.013 2.126 0.707 0.534 1.000 0.500 CB 1.487 G: 13 22.163 2.073 0.873 0.778 0.917 0.667 CB 1.407 H: 50 29.253 2.114 0.566 0.542 0.857 0.429 CB 1.414 9 residues pruned to eliminate duplicates I: 14 19.330 1.909 0.912 0.802 0.846 0.692 CA 1.332 14 residues pruned to eliminate duplicates J: 18 19.474 2.004 0.325 0.899 0.882 0.765 CA 1.441 14 residues pruned to eliminate duplicates K: 14 24.577 2.129 0.621 0.875 1.000 0.692 CA 1.436 14 residues pruned to eliminate duplicates L: 78 49.518 2.154 0.739 0.615 0.922 0.701 CB 1.466 58 residues pruned to eliminate duplicates M: 7 14.121 2.195 0.329 0.882 1.000 0.833 CB 1.430 N: 13 22.196 1.983 0.858 0.830 0.917 0.750 CB 1.427 13 residues pruned to eliminate duplicates O: 59 42.315 2.187 0.677 0.550 0.966 0.638 CB 1.495 60 residues pruned to eliminate duplicates P: 11 26.799 2.164 0.958 0.894 0.900 0.700 CA 1.594 12 residues pruned to eliminate duplicates Q: 12 10.073 2.084 0.685 0.324 0.818 0.545 CB 1.282 R: 18 20.710 1.987 0.413 0.877 0.882 0.706 CB 1.473 S: 19 19.199 1.934 0.440 0.889 0.833 0.778 CA 1.403 19 residues pruned to eliminate duplicates T: 27 28.832 2.062 0.665 0.696 0.923 0.769 CA 1.491 27 residues pruned to eliminate duplicates U: 13 13.834 1.955 0.169 0.900 0.917 0.833 CB 1.362 V: 22 25.237 2.132 0.726 0.681 0.857 0.714 CB 1.479 22 residues pruned to eliminate duplicates W: 9 4.943 1.799 0.073 0.516 0.750 0.750 CB 1.189 9 residues pruned to eliminate duplicates X: 66 42.840 2.051 0.646 0.743 0.923 0.492 CB 1.372 Y: 7 6.630 1.842 0.142 0.657 1.000 0.667 CB 1.112 7 residues pruned to eliminate duplicates Z: 12 27.062 2.298 0.604 0.888 1.000 0.909 CB 1.595 12 residues pruned to eliminate duplicates Z: 17 20.099 1.950 0.336 0.886 0.938 0.688 CB 1.484 17 residues pruned to eliminate duplicates Z: 17 23.081 1.987 0.501 0.878 0.938 0.500 CA 1.497 18 residues pruned to eliminate duplicates Z: 13 25.689 2.155 0.583 0.913 1.000 0.917 CB 1.538 13 residues pruned to eliminate duplicates Z: 14 16.293 1.914 0.410 0.917 1.000 0.769 CB 1.182 13 residues pruned to eliminate duplicates Z: 13 20.607 2.004 0.562 0.891 1.000 0.833 CA 1.365 Z: 13 22.925 2.165 0.421 0.926 1.000 0.667 CB 1.509 13 residues pruned to eliminate duplicates Z: 17 23.662 1.994 0.449 0.921 0.938 0.688 CB 1.537 17 residues pruned to eliminate duplicates Z: 17 17.010 1.834 0.229 0.933 1.000 0.875 CA 1.316 13 residues pruned to eliminate duplicates Z: 13 17.723 2.097 0.494 0.808 0.833 0.667 CB 1.499 13 residues pruned to eliminate duplicates Z: 14 23.469 2.022 0.663 0.820 1.000 0.692 CA 1.467 14 residues pruned to eliminate duplicates Z: 18 37.450 2.329 0.924 0.893 1.000 0.647 CB 1.454 18 residues pruned to eliminate duplicates Z: 13 22.186 2.178 0.445 0.869 1.000 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 44 29.734 2.053 0.578 0.480 0.907 0.581 CA 1.575 37 residues pruned to eliminate duplicates Z: 13 20.164 2.081 0.387 0.907 0.917 0.833 CB 1.565 Z: 12 17.250 2.107 0.414 0.860 0.818 0.727 CA 1.569 12 residues pruned to eliminate duplicates Z: 12 22.978 1.976 0.990 0.838 0.909 0.727 CA 1.448 12 residues pruned to eliminate duplicates Z: 8 13.491 2.290 0.022 0.801 1.000 0.714 CB 1.675 8 residues pruned to eliminate duplicates Z: 18 20.024 1.913 0.466 0.885 0.882 0.765 CA 1.417 13 residues pruned to eliminate duplicates Z: 12 21.908 2.180 0.314 0.919 1.000 0.818 CB 1.625 12 residues pruned to eliminate duplicates Z: 14 22.391 1.994 0.608 0.889 1.000 0.846 CB 1.395 14 residues pruned to eliminate duplicates Z: 26 30.947 2.141 0.833 0.668 0.880 0.720 CB 1.535 26 residues pruned to eliminate duplicates Z: 17 33.287 2.000 1.019 0.941 1.000 0.625 CB 1.430 18 residues pruned to eliminate duplicates Z: 13 23.211 2.074 0.657 0.909 0.917 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 22 15.529 2.153 0.223 0.469 0.810 0.524 CB 1.641 22 residues pruned to eliminate duplicates Z: 16 16.436 1.872 0.228 0.901 1.000 0.800 CA 1.317 16 residues pruned to eliminate duplicates Z: 15 21.848 2.225 0.424 0.835 1.000 0.429 CB 1.381 15 residues pruned to eliminate duplicates Z: 12 17.562 2.067 0.431 0.910 0.909 0.545 CB 1.397 12 residues pruned to eliminate duplicates Z: 17 22.419 2.206 0.274 0.919 1.000 1.000 CA 1.405 17 residues pruned to eliminate duplicates Z: 13 21.862 2.012 0.625 0.872 1.000 0.917 CA 1.407 13 residues pruned to eliminate duplicates Z: 19 19.249 2.010 0.719 0.583 0.889 0.333 CB 1.364 19 residues pruned to eliminate duplicates Z: 13 24.535 2.095 0.572 0.887 1.000 0.917 CB 1.550 13 residues pruned to eliminate duplicates Z: 13 20.764 2.176 0.483 0.856 0.917 0.417 CB 1.494 13 residues pruned to eliminate duplicates Z: 17 35.421 2.330 0.905 0.903 1.000 0.500 CB 1.422 17 residues pruned to eliminate duplicates Z: 19 25.893 2.003 0.869 0.898 1.000 0.389 CB 1.166 19 residues pruned to eliminate duplicates Z: 9 8.882 2.018 0.459 0.388 0.875 0.625 CB 1.373 Z: 14 17.643 2.046 0.723 0.915 0.846 0.385 CB 1.159 14 residues pruned to eliminate duplicates Z: 19 29.510 2.275 0.640 0.889 0.944 0.556 CB 1.420 19 residues pruned to eliminate duplicates Z: 16 24.791 2.071 0.703 0.921 0.867 0.400 CB 1.474 20 residues pruned to eliminate duplicates Z: 8 15.101 2.063 0.234 0.800 1.000 0.571 CB 1.724 8 residues pruned to eliminate duplicates Z: 17 17.425 1.986 0.206 0.870 0.938 0.688 CB 1.416 17 residues pruned to eliminate duplicates Z: 6 8.419 2.134 0.139 0.855 1.000 1.000 CB 1.143 6 residues pruned to eliminate duplicates Z: 13 12.911 1.942 0.240 0.833 0.917 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 73 41.762 1.958 0.717 0.693 0.903 0.514 CB 1.359 62 residues pruned to eliminate duplicates Z: 18 24.785 2.315 0.375 0.885 0.941 0.824 CB 1.450 18 residues pruned to eliminate duplicates Z: 13 22.746 2.068 0.558 0.893 1.000 0.917 CB 1.464 13 residues pruned to eliminate duplicates Z: 14 23.950 2.078 0.459 0.905 1.000 0.769 CB 1.559 14 residues pruned to eliminate duplicates Z: 16 25.240 1.935 0.782 0.935 0.933 0.467 CB 1.411 16 residues pruned to eliminate duplicates Z: 13 18.685 2.079 0.560 0.748 0.917 0.750 CA 1.453 13 residues pruned to eliminate duplicates Z: 15 18.464 1.916 0.310 0.887 0.929 0.714 CB 1.527 16 residues pruned to eliminate duplicates Z: 60 38.566 2.090 0.565 0.746 0.915 0.644 CB 1.346 60 residues pruned to eliminate duplicates Z: 13 12.498 1.915 0.102 0.905 0.917 0.917 CA 1.327 12 residues pruned to eliminate duplicates Z: 57 38.644 2.123 0.712 0.527 0.929 0.643 CB 1.491 57 residues pruned to eliminate duplicates Z: 14 18.953 1.977 0.418 0.834 1.000 0.692 CA 1.406 14 residues pruned to eliminate duplicates Z: 18 19.559 1.830 0.612 0.903 0.941 0.588 CB 1.217 18 residues pruned to eliminate duplicates Z: 13 30.814 2.070 0.888 0.937 1.000 1.000 CB 1.584 13 residues pruned to eliminate duplicates Z: 12 28.381 2.175 0.771 0.925 1.000 0.818 CA 1.559 12 residues pruned to eliminate duplicates Z: 21 25.508 2.125 0.732 0.704 0.900 0.700 CB 1.430 21 residues pruned to eliminate duplicates Z: 8 8.252 1.755 0.574 0.648 0.857 0.714 CB 1.147 8 residues pruned to eliminate duplicates Z: 45 34.415 2.162 0.598 0.544 0.977 0.773 CB 1.472 45 residues pruned to eliminate duplicates Z: 24 17.572 1.998 0.587 0.502 0.826 0.478 CB 1.396 24 residues pruned to eliminate duplicates Z: 13 24.458 2.123 0.757 0.855 0.917 0.583 CB 1.524 13 residues pruned to eliminate duplicates Z: 12 29.864 2.256 0.970 0.936 1.000 0.545 CB 1.411 12 residues pruned to eliminate duplicates Z: 17 20.393 1.978 0.158 0.929 1.000 0.938 CA 1.557 17 residues pruned to eliminate duplicates Z: 17 22.822 1.981 0.345 0.916 1.000 0.625 CA 1.512 17 residues pruned to eliminate duplicates Z: 18 21.417 1.957 0.440 0.901 0.941 0.647 CB 1.398 18 residues pruned to eliminate duplicates Z: 7 11.231 2.108 0.550 0.880 1.000 1.000 CB 1.016 7 residues pruned to eliminate duplicates Z: 15 16.937 1.837 0.461 0.852 1.000 0.500 CA 1.248 15 residues pruned to eliminate duplicates Z: 12 25.293 2.145 0.578 0.916 1.000 0.636 CB 1.592 12 residues pruned to eliminate duplicates Z: 19 25.743 1.891 0.873 0.869 0.889 0.556 CA 1.408 19 residues pruned to eliminate duplicates Z: 15 15.164 1.940 0.416 0.875 1.000 0.643 CB 1.073 Z: 58 32.308 2.134 0.587 0.477 0.895 0.579 CB 1.445 51 residues pruned to eliminate duplicates Z: 17 19.337 1.972 0.217 0.919 0.938 0.688 CB 1.513 17 residues pruned to eliminate duplicates Z: 18 23.750 2.055 0.821 0.913 0.765 0.529 CB 1.424 18 residues pruned to eliminate duplicates Z: 31 19.964 2.001 0.434 0.482 0.867 0.600 CB 1.492 31 residues pruned to eliminate duplicates Z: 27 23.830 1.962 0.664 0.593 0.962 0.654 CB 1.362 28 residues pruned to eliminate duplicates Z: 12 18.787 2.147 0.592 0.889 0.909 0.545 CB 1.313 12 residues pruned to eliminate duplicates Z: 20 34.078 2.202 0.686 0.892 1.000 0.789 CB 1.513 21 residues pruned to eliminate duplicates Z: 13 25.318 2.029 0.761 0.902 1.000 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 17 23.482 1.881 0.688 0.908 1.000 0.375 CB 1.313 17 residues pruned to eliminate duplicates Z: 14 21.845 1.989 0.936 0.792 0.923 0.692 CB 1.319 14 residues pruned to eliminate duplicates Z: 9 10.990 2.016 0.399 0.840 0.750 0.750 CA 1.372 9 residues pruned to eliminate duplicates Z: 62 41.960 2.055 0.682 0.722 0.885 0.508 CB 1.438 62 residues pruned to eliminate duplicates Z: 6 3.437 1.768 0.411 0.335 0.800 0.600 CB 0.922 Z: 11 10.461 2.102 0.118 0.872 0.900 0.700 CB 1.140 11 residues pruned to eliminate duplicates Z: 17 26.159 1.999 0.631 0.885 1.000 0.688 CB 1.448 17 residues pruned to eliminate duplicates Z: 70 43.878 2.152 0.700 0.586 0.913 0.681 CB 1.457 72 residues pruned to eliminate duplicates Z: 13 23.266 2.132 0.451 0.856 1.000 0.750 CA 1.602 13 residues pruned to eliminate duplicates Z: 18 18.164 1.935 0.581 0.853 1.000 0.412 CB 1.064 18 residues pruned to eliminate duplicates Z: 13 25.010 2.078 0.778 0.916 0.917 0.833 CB 1.506 13 residues pruned to eliminate duplicates Z: 19 24.685 1.903 0.657 0.866 0.944 0.778 CB 1.431 19 residues pruned to eliminate duplicates Z: 124 58.617 2.100 0.529 0.670 0.951 0.537 CB 1.479 125 residues pruned to eliminate duplicates Z: 15 18.712 2.030 0.789 0.889 0.929 0.714 CB 1.068 13 residues pruned to eliminate duplicates Z: 19 27.628 1.903 1.005 0.890 0.889 0.889 CA 1.382 18 residues pruned to eliminate duplicates Z: 17 16.774 1.917 0.538 0.910 0.938 0.875 CB 1.076 16 residues pruned to eliminate duplicates Z: 12 19.010 2.130 0.286 0.852 1.000 0.727 CB 1.548 12 residues pruned to eliminate duplicates Z: 13 15.992 1.844 0.578 0.864 0.833 0.583 CA 1.395 9 residues pruned to eliminate duplicates Z: 61 33.259 2.046 0.475 0.539 0.917 0.650 CB 1.493 61 residues pruned to eliminate duplicates Z: 19 22.087 1.904 0.527 0.867 1.000 0.722 CA 1.309 19 residues pruned to eliminate duplicates Z: 14 25.334 2.123 0.611 0.916 1.000 1.000 CB 1.451 14 residues pruned to eliminate duplicates Z: 22 18.279 2.128 0.366 0.508 0.857 0.714 CB 1.588 22 residues pruned to eliminate duplicates Z: 14 19.717 2.109 0.350 0.803 1.000 0.846 CA 1.474 14 residues pruned to eliminate duplicates Z: 45 26.279 1.984 0.472 0.547 0.932 0.682 CB 1.391 45 residues pruned to eliminate duplicates Z: 13 20.140 2.024 0.597 0.893 1.000 0.500 CB 1.292 13 residues pruned to eliminate duplicates Z: 13 20.311 2.035 0.637 0.828 0.917 0.750 CB 1.445 13 residues pruned to eliminate duplicates Z: 9 16.313 2.137 0.561 0.849 0.875 0.875 CA 1.465 9 residues pruned to eliminate duplicates Z: 19 40.394 2.269 0.960 0.882 1.000 0.333 CB 1.550 18 residues pruned to eliminate duplicates Z: 59 44.624 2.071 0.729 0.756 0.914 0.431 CB 1.425 59 residues pruned to eliminate duplicates Z: 37 28.228 2.078 0.446 0.792 0.917 0.722 CB 1.322 37 residues pruned to eliminate duplicates Z: 17 22.289 1.867 0.484 0.919 1.000 0.688 CB 1.418 16 residues pruned to eliminate duplicates Z: 84 44.133 1.974 0.659 0.713 0.904 0.542 CB 1.349 67 residues pruned to eliminate duplicates Z: 20 19.912 1.822 0.561 0.871 0.947 0.684 CA 1.236 20 residues pruned to eliminate duplicates Z: 10 9.220 1.754 0.096 0.865 1.000 0.667 CA 1.171 10 residues pruned to eliminate duplicates Z: 40 39.490 2.156 0.655 0.637 0.974 0.513 CB 1.600 40 residues pruned to eliminate duplicates Z: 27 28.963 1.910 0.678 0.734 0.962 0.462 CB 1.493 20 residues pruned to eliminate duplicates Z: 14 20.573 1.917 0.775 0.842 1.000 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 16 20.572 2.001 0.387 0.893 1.000 0.867 CB 1.373 16 residues pruned to eliminate duplicates Z: 36 29.165 2.042 0.699 0.586 0.914 0.514 CB 1.431 37 residues pruned to eliminate duplicates Z: 15 17.417 1.950 0.633 0.892 1.000 0.857 CB 1.050 15 residues pruned to eliminate duplicates Z: 18 27.895 1.987 0.795 0.913 1.000 0.824 CA 1.342 18 residues pruned to eliminate duplicates Z: 13 25.186 2.048 0.594 0.920 1.000 0.917 CB 1.568 13 residues pruned to eliminate duplicates Z: 18 23.834 1.958 0.672 0.844 0.882 0.471 CA 1.489 18 residues pruned to eliminate duplicates Z: 7 8.918 1.844 0.632 0.466 1.000 0.833 CB 1.252 7 residues pruned to eliminate duplicates Z: 15 27.966 2.062 0.647 0.936 1.000 0.786 CB 1.532 15 residues pruned to eliminate duplicates Z: 11 17.207 2.105 0.556 0.832 1.000 0.700 CA 1.247 12 residues pruned to eliminate duplicates Z: 19 27.614 2.030 0.559 0.934 0.944 0.444 CB 1.519 19 residues pruned to eliminate duplicates Z: 6 3.829 1.763 0.490 0.422 1.000 0.600 CB 0.707 6 residues pruned to eliminate duplicates Z: 10 10.246 1.778 0.383 0.786 0.778 0.667 CB 1.389 10 residues pruned to eliminate duplicates Z: 15 24.888 1.903 0.601 0.924 1.000 0.571 CB 1.533 16 residues pruned to eliminate duplicates Z: 13 22.148 2.028 0.699 0.882 1.000 0.833 CA 1.343 13 residues pruned to eliminate duplicates Z: 18 25.952 1.953 0.821 0.916 0.941 0.588 CA 1.328 18 residues pruned to eliminate duplicates Z: 17 15.599 1.967 0.661 0.608 0.875 0.312 CB 1.231 14 residues pruned to eliminate duplicates Z: 84 47.916 2.106 0.601 0.675 0.940 0.675 CB 1.413 84 residues pruned to eliminate duplicates Z: 16 22.065 2.000 0.670 0.871 1.000 0.867 CB 1.244 17 residues pruned to eliminate duplicates Z: 29 23.495 1.959 0.732 0.587 0.857 0.607 CB 1.405 29 residues pruned to eliminate duplicates Z: 12 15.447 1.944 0.094 0.911 1.000 0.727 CB 1.552 12 residues pruned to eliminate duplicates Z: 13 25.756 2.163 0.789 0.901 0.917 0.583 CA 1.496 13 residues pruned to eliminate duplicates Z: 19 21.524 1.994 0.820 0.861 0.833 0.222 CB 1.232 19 residues pruned to eliminate duplicates Z: 6 4.505 1.673 0.900 0.683 0.600 0.600 CB 0.892 6 residues pruned to eliminate duplicates Z: 18 25.999 2.042 0.502 0.936 1.000 0.647 CB 1.432 18 residues pruned to eliminate duplicates Z: 20 26.632 2.000 0.598 0.897 0.947 0.579 CB 1.445 24 residues pruned to eliminate duplicates Z: 19 26.189 1.915 0.823 0.900 0.944 0.722 CA 1.338 19 residues pruned to eliminate duplicates Z: 33 28.760 2.127 0.729 0.589 0.969 0.688 CB 1.311 33 residues pruned to eliminate duplicates Z: 17 28.269 1.980 0.913 0.877 0.938 0.375 CB 1.445 17 residues pruned to eliminate duplicates Z: 13 26.501 2.075 0.568 0.919 1.000 0.500 CA 1.657 13 residues pruned to eliminate duplicates Z: 10 13.312 2.079 0.528 0.397 0.889 0.667 CB 1.752 10 residues pruned to eliminate duplicates Z: 18 25.416 1.972 0.893 0.879 0.882 0.471 CA 1.357 18 residues pruned to eliminate duplicates Z: 18 20.266 2.036 0.662 0.882 0.941 0.412 CB 1.117 18 residues pruned to eliminate duplicates Z: 13 18.438 2.036 0.533 0.826 0.833 0.750 CA 1.543 13 residues pruned to eliminate duplicates Z: 17 30.736 1.978 0.950 0.895 0.938 0.812 CA 1.523 17 residues pruned to eliminate duplicates Z: 10 20.754 2.240 0.454 0.919 1.000 0.889 CA 1.497 10 residues pruned to eliminate duplicates Z: 16 17.247 1.958 0.085 0.936 1.000 0.867 CB 1.459 16 residues pruned to eliminate duplicates Z: 14 18.067 1.958 0.828 0.912 0.846 0.462 CB 1.172 14 residues pruned to eliminate duplicates Z: 6 18.327 2.118 0.952 0.880 1.000 0.800 CB 1.436 6 residues pruned to eliminate duplicates Z: 12 21.630 2.018 0.772 0.938 0.909 0.636 CB 1.395 12 residues pruned to eliminate duplicates Z: 6 6.296 1.966 0.230 0.689 0.800 0.400 CB 1.225 6 residues pruned to eliminate duplicates Z: 18 23.511 1.970 0.821 0.865 0.941 0.706 CA 1.237 18 residues pruned to eliminate duplicates Z: 13 14.231 1.957 0.493 0.875 0.833 0.667 CA 1.227 13 residues pruned to eliminate duplicates Z: 17 27.130 1.969 0.869 0.890 0.938 0.688 CA 1.414 17 residues pruned to eliminate duplicates Z: 39 21.026 1.912 0.782 0.435 0.816 0.553 CB 1.313 47 residues pruned to eliminate duplicates Z: 12 21.606 2.245 0.540 0.896 0.909 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 13 17.860 2.085 0.481 0.857 0.917 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 10 12.000 1.857 0.470 0.900 1.000 0.778 CA 1.047 10 residues pruned to eliminate duplicates Z: 10 10.170 1.820 0.447 0.885 1.000 0.667 CA 0.929 10 residues pruned to eliminate duplicates Z: 30 28.017 2.033 0.903 0.565 0.897 0.655 CB 1.408 30 residues pruned to eliminate duplicates Z: 17 19.357 2.195 0.628 0.478 0.938 0.750 CB 1.478 17 residues pruned to eliminate duplicates Z: 17 19.863 1.816 0.418 0.922 1.000 0.500 CA 1.356 16 residues pruned to eliminate duplicates Z: 7 17.047 2.134 0.886 0.614 1.000 0.500 CA 1.552 7 residues pruned to eliminate duplicates Z: 20 21.566 1.965 0.643 0.887 0.842 0.421 CB 1.313 20 residues pruned to eliminate duplicates Z: 13 25.605 2.099 0.631 0.858 1.000 0.750 CB 1.590 13 residues pruned to eliminate duplicates Z: 16 31.055 2.009 0.728 0.927 1.000 0.333 CB 1.619 16 residues pruned to eliminate duplicates Z: 19 25.229 1.960 0.753 0.926 0.833 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 13 21.970 2.119 0.410 0.903 1.000 1.000 CB 1.514 13 residues pruned to eliminate duplicates Z: 19 28.119 2.063 0.632 0.886 1.000 0.333 CB 1.420 19 residues pruned to eliminate duplicates Z: 17 23.808 1.850 0.744 0.942 0.938 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 12 14.367 1.981 0.691 0.880 0.727 0.455 CB 1.289 12 residues pruned to eliminate duplicates Z: 16 15.657 1.810 0.132 0.917 1.000 0.667 CB 1.392 16 residues pruned to eliminate duplicates Z: 19 29.874 2.239 0.619 0.882 0.944 0.778 CB 1.488 19 residues pruned to eliminate duplicates Z: 41 24.368 2.076 0.556 0.494 0.875 0.450 CB 1.371 41 residues pruned to eliminate duplicates Z: 16 18.516 1.939 0.511 0.878 0.867 0.333 CB 1.367 16 residues pruned to eliminate duplicates Z: 15 9.937 1.533 0.296 0.914 1.000 0.857 CB 0.945 15 residues pruned to eliminate duplicates Z: 13 16.132 1.910 0.522 0.813 1.000 0.417 CB 1.221 13 residues pruned to eliminate duplicates Z: 30 21.367 1.813 0.729 0.614 0.897 0.483 CA 1.267 30 residues pruned to eliminate duplicates Z: 19 14.271 1.781 0.042 0.899 1.000 0.778 CB 1.296 19 residues pruned to eliminate duplicates Z: 13 20.325 2.021 0.383 0.886 1.000 0.833 CB 1.515 13 residues pruned to eliminate duplicates Z: 21 39.188 2.151 1.047 0.881 1.000 0.850 CB 1.441 21 residues pruned to eliminate duplicates Z: 11 13.342 2.036 0.068 0.847 1.000 0.900 CA 1.441 11 residues pruned to eliminate duplicates Z: 13 27.070 2.108 0.727 0.883 1.000 0.750 CA 1.553 13 residues pruned to eliminate duplicates Z: 9 9.653 1.655 0.772 0.612 0.875 0.625 CB 1.196 9 residues pruned to eliminate duplicates Z: 8 8.052 1.977 0.754 0.504 0.714 0.286 CB 1.224 Z: 16 11.828 1.871 0.352 0.375 0.867 0.400 CB 1.593 16 residues pruned to eliminate duplicates Z: 6 5.633 1.694 0.284 0.586 0.800 0.600 N 1.334 6 residues pruned to eliminate duplicates Z: 34 32.462 1.983 0.671 0.722 1.000 0.515 CA 1.395 34 residues pruned to eliminate duplicates Z: 8 5.538 1.929 0.713 0.524 0.714 0.286 CB 0.866 13 residues pruned to eliminate duplicates Z: 19 31.353 2.205 0.624 0.892 1.000 0.611 CA 1.483 19 residues pruned to eliminate duplicates Z: 18 29.606 2.100 0.887 0.945 0.882 0.294 CB 1.422 19 residues pruned to eliminate duplicates Z: 34 30.655 2.075 0.617 0.651 0.939 0.576 CB 1.471 35 residues pruned to eliminate duplicates Z: 58 33.909 2.057 0.478 0.552 0.930 0.649 CB 1.510 58 residues pruned to eliminate duplicates Z: 9 17.073 2.137 0.469 0.893 1.000 0.875 CB 1.381 9 residues pruned to eliminate duplicates Z: 34 27.811 2.077 0.478 0.660 0.939 0.636 CB 1.448 34 residues pruned to eliminate duplicates Z: 14 13.404 1.805 0.233 0.853 1.000 0.846 CA 1.235 14 residues pruned to eliminate duplicates Z: 7 5.205 1.715 0.172 0.630 0.833 0.333 CA 1.122 7 residues pruned to eliminate duplicates Z: 6 7.152 1.850 -0.078 0.677 1.000 0.800 CB 1.594 Z: 13 25.305 2.084 0.666 0.872 1.000 0.833 CB 1.534 13 residues pruned to eliminate duplicates Z: 16 21.727 1.983 0.730 0.919 1.000 0.800 CB 1.152 16 residues pruned to eliminate duplicates Z: 21 21.550 2.103 0.346 0.831 0.950 0.850 CA 1.346 21 residues pruned to eliminate duplicates Z: 45 29.300 2.091 0.449 0.578 0.909 0.545 CB 1.487 45 residues pruned to eliminate duplicates Z: 20 35.605 2.201 0.963 0.894 0.947 0.789 CB 1.431 20 residues pruned to eliminate duplicates Z: 19 26.145 1.911 1.081 0.892 0.833 0.444 CA 1.335 19 residues pruned to eliminate duplicates Z: 18 16.462 1.999 0.317 0.813 0.941 0.706 CA 1.228 18 residues pruned to eliminate duplicates Z: 127 56.504 2.072 0.601 0.672 0.921 0.540 CB 1.406 127 residues pruned to eliminate duplicates Z: 27 24.251 2.044 0.587 0.645 0.923 0.577 CB 1.387 27 residues pruned to eliminate duplicates Z: 66 50.968 2.198 0.779 0.584 0.969 0.692 CB 1.539 66 residues pruned to eliminate duplicates Z: 17 34.943 1.999 1.120 0.925 1.000 0.812 CB 1.446 17 residues pruned to eliminate duplicates Z: 72 45.521 2.135 0.784 0.544 0.944 0.648 CB 1.439 72 residues pruned to eliminate duplicates Z: 24 21.094 1.994 0.525 0.612 0.957 0.609 CB 1.360 24 residues pruned to eliminate duplicates Z: 18 15.360 1.967 0.059 0.843 0.941 0.824 CA 1.414 18 residues pruned to eliminate duplicates Z: 18 20.817 1.969 0.225 0.925 1.000 0.706 CA 1.470 18 residues pruned to eliminate duplicates Z: 21 26.484 2.077 0.589 0.856 0.950 0.800 CB 1.393 21 residues pruned to eliminate duplicates Z: 17 25.235 1.946 0.794 0.846 1.000 0.438 CB 1.343 17 residues pruned to eliminate duplicates Z: 13 23.833 2.114 0.643 0.832 1.000 0.500 CB 1.488 13 residues pruned to eliminate duplicates Z: 18 21.345 1.961 0.464 0.871 0.941 0.529 CB 1.397 18 residues pruned to eliminate duplicates Z: 51 45.063 2.161 0.827 0.608 0.960 0.540 CB 1.517 51 residues pruned to eliminate duplicates Z: 15 23.974 1.930 1.221 0.890 1.000 0.286 CB 1.075 14 residues pruned to eliminate duplicates Z: 13 27.398 2.204 0.763 0.866 1.000 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 20 27.255 2.123 0.577 0.844 1.000 0.789 CA 1.390 20 residues pruned to eliminate duplicates Z: 6 4.493 1.664 0.856 0.425 0.800 0.800 CB 0.879 Z: 12 19.400 2.089 0.594 0.914 0.909 0.545 CA 1.366 12 residues pruned to eliminate duplicates Z: 18 6.101 1.739 0.341 0.294 0.882 0.529 CB 0.906 6 residues pruned to eliminate duplicates Z: 20 29.005 2.181 0.560 0.922 0.947 0.789 CB 1.452 20 residues pruned to eliminate duplicates Z: 17 19.030 2.069 0.632 0.872 0.938 0.562 CB 1.095 17 residues pruned to eliminate duplicates Z: 15 11.019 1.900 0.022 0.887 0.857 0.643 CA 1.275 15 residues pruned to eliminate duplicates Z: 13 22.078 2.092 0.553 0.918 1.000 0.833 CA 1.384 13 residues pruned to eliminate duplicates Z: 12 19.575 2.110 0.521 0.895 0.909 0.455 CB 1.451 12 residues pruned to eliminate duplicates Z: 18 20.852 1.936 0.592 0.894 0.941 0.824 CA 1.251 18 residues pruned to eliminate duplicates Z: 17 31.020 2.088 0.878 0.943 0.938 0.312 CB 1.462 18 residues pruned to eliminate duplicates Z: 31 24.349 2.080 0.561 0.514 0.900 0.633 CB 1.501 31 residues pruned to eliminate duplicates Z: 12 26.749 2.045 0.874 0.890 1.000 0.818 CB 1.514 12 residues pruned to eliminate duplicates Z: 43 26.159 1.924 0.454 0.650 0.905 0.643 CA 1.387 47 residues pruned to eliminate duplicates Z: 17 24.318 2.006 0.589 0.914 1.000 0.750 CA 1.349 17 residues pruned to eliminate duplicates Z: 13 22.690 2.091 0.780 0.817 0.917 0.833 CB 1.458 13 residues pruned to eliminate duplicates Z: 18 20.408 2.009 0.333 0.862 0.941 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 19 30.101 2.204 0.587 0.875 1.000 0.833 CA 1.475 19 residues pruned to eliminate duplicates Z: 17 16.359 1.988 0.057 0.848 1.000 0.688 CA 1.445 17 residues pruned to eliminate duplicates Z: 7 9.241 2.230 -0.126 0.826 1.000 0.667 CB 1.460 7 residues pruned to eliminate duplicates Z: 53 31.821 2.077 0.500 0.528 0.942 0.615 CB 1.463 53 residues pruned to eliminate duplicates Z: 17 22.497 1.992 0.581 0.737 0.938 0.750 CB 1.540 17 residues pruned to eliminate duplicates Z: 12 9.897 1.702 0.598 0.359 0.909 0.455 CA 1.404 12 residues pruned to eliminate duplicates Z: 20 20.349 1.932 0.463 0.879 1.000 0.789 CB 1.198 20 residues pruned to eliminate duplicates Z: 28 18.441 2.036 0.418 0.498 0.852 0.593 CB 1.446 28 residues pruned to eliminate duplicates Z: 21 20.084 2.142 0.496 0.506 0.850 0.650 CB 1.639 21 residues pruned to eliminate duplicates Z: 14 22.395 1.986 0.893 0.831 0.923 0.538 CA 1.345 14 residues pruned to eliminate duplicates Z: 7 8.686 1.623 0.560 0.801 1.000 0.500 CB 1.076 7 residues pruned to eliminate duplicates Z: 16 8.443 1.795 0.544 0.512 0.667 0.400 CB 1.166 16 residues pruned to eliminate duplicates Z: 11 22.112 2.055 0.591 0.901 1.000 0.700 CB 1.527 11 residues pruned to eliminate duplicates Z: 18 28.199 1.952 0.885 0.914 0.941 0.353 CA 1.398 18 residues pruned to eliminate duplicates Z: 14 9.638 1.516 0.387 0.903 0.923 0.846 CB 0.982 14 residues pruned to eliminate duplicates Z: 76 40.599 2.054 0.690 0.567 0.907 0.653 CB 1.396 76 residues pruned to eliminate duplicates Z: 20 35.819 2.215 0.767 0.893 1.000 0.842 CB 1.508 20 residues pruned to eliminate duplicates Z: 16 6.704 1.836 0.276 0.356 0.867 0.533 CB 0.996 16 residues pruned to eliminate duplicates Z: 18 14.850 1.888 0.411 0.335 1.000 0.529 CB 1.619 18 residues pruned to eliminate duplicates Z: 99 50.881 1.974 0.770 0.718 0.898 0.653 CB 1.345 99 residues pruned to eliminate duplicates Z: 8 3.603 1.776 -0.074 0.309 0.714 0.286 O 1.432 8 residues pruned to eliminate duplicates Z: 12 22.503 2.128 0.406 0.882 1.000 0.818 CA 1.641 12 residues pruned to eliminate duplicates Z: 6 2.221 1.440 0.423 0.476 0.600 0.400 CB 0.828 Z: 22 14.300 2.098 0.126 0.607 0.857 0.476 CB 1.392 22 residues pruned to eliminate duplicates Z: 8 11.218 2.019 0.357 0.791 1.000 0.714 CB 1.199 8 residues pruned to eliminate duplicates Z: 20 9.581 1.790 0.596 0.407 0.842 0.474 CB 1.007 18 residues pruned to eliminate duplicates Z: 49 22.717 1.806 0.379 0.689 0.917 0.542 CB 1.207 49 residues pruned to eliminate duplicates Z: 16 21.641 1.818 0.915 0.926 0.933 0.733 CA 1.207 16 residues pruned to eliminate duplicates Z: 18 18.499 1.819 0.378 0.897 1.000 0.765 CA 1.281 18 residues pruned to eliminate duplicates Z: 6 7.616 1.557 0.592 0.831 1.000 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 15 12.306 1.658 0.397 0.849 1.000 0.643 CB 1.053 15 residues pruned to eliminate duplicates Z: 7 6.984 1.813 0.151 0.652 1.000 0.667 CA 1.186 7 residues pruned to eliminate duplicates Z: 16 22.398 1.874 0.732 0.946 0.933 0.200 CB 1.321 16 residues pruned to eliminate duplicates Z: 16 16.368 1.820 0.414 0.881 0.867 0.867 CA 1.372 16 residues pruned to eliminate duplicates Z: 7 3.554 1.656 -0.080 0.473 0.833 0.667 N 1.175 7 residues pruned to eliminate duplicates Z: 8 9.242 1.915 0.386 0.774 0.857 0.714 CB 1.205 8 residues pruned to eliminate duplicates Z: 108 59.470 2.086 0.691 0.689 0.944 0.607 CB 1.453 108 residues pruned to eliminate duplicates Z: 13 24.891 2.141 0.920 0.833 1.000 0.750 CB 1.311 13 residues pruned to eliminate duplicates Z: 13 20.698 2.051 0.502 0.900 1.000 0.750 CB 1.385 13 residues pruned to eliminate duplicates Z: 16 25.767 2.036 0.942 0.909 1.000 0.933 CA 1.194 16 residues pruned to eliminate duplicates 6 1.799 1.484 -0.277 0.476 0.800 0.600 CB 0.960 ? Z: 15 13.922 1.647 0.411 0.793 1.000 0.714 CB 1.238 15 residues pruned to eliminate duplicates Z: 17 23.488 2.003 0.469 0.911 1.000 0.812 CA 1.414 17 residues pruned to eliminate duplicates Z: 8 9.228 1.781 0.619 0.825 1.000 0.857 CB 0.913 Z: 8 9.560 2.028 0.339 0.480 0.857 0.714 CA 1.583 8 residues pruned to eliminate duplicates Z: 58 39.252 2.118 0.598 0.710 0.947 0.719 CB 1.340 58 residues pruned to eliminate duplicates Z: 16 23.060 1.887 0.675 0.924 1.000 0.533 CB 1.323 16 residues pruned to eliminate duplicates Z: 17 23.147 1.928 0.609 0.850 1.000 0.625 CB 1.382 17 residues pruned to eliminate duplicates Z: 6 5.237 1.630 0.896 0.421 0.600 0.600 C 1.371 Z: 6 5.594 1.634 0.775 0.504 0.800 0.600 CB 1.074 6 residues pruned to eliminate duplicates Z: 13 20.777 2.055 0.633 0.915 1.000 0.750 CA 1.263 13 residues pruned to eliminate duplicates Z: 55 30.271 2.067 0.535 0.483 0.944 0.537 CB 1.398 55 residues pruned to eliminate duplicates Z: 8 11.868 1.815 0.893 0.583 1.000 0.571 CA 1.206 Z: 13 29.706 2.074 0.876 0.938 1.000 1.000 CA 1.533 13 residues pruned to eliminate duplicates Z: 6 4.485 1.900 -0.165 0.621 1.000 0.800 CB 1.128 Z: 6 7.508 1.847 0.291 0.628 1.000 0.800 CA 1.249 6 residues pruned to eliminate duplicates Z: 103 41.481 2.038 0.571 0.538 0.922 0.647 CB 1.341 105 residues pruned to eliminate duplicates Z: 15 11.589 1.636 0.372 0.863 1.000 0.643 CB 1.012 23 residues pruned to eliminate duplicates Z: 15 11.004 1.603 0.230 0.894 1.000 0.857 CA 1.069 15 residues pruned to eliminate duplicates Z: 25 31.701 2.118 0.801 0.738 0.958 0.750 CB 1.430 25 residues pruned to eliminate duplicates Z: 12 25.078 2.044 0.795 0.910 1.000 0.545 CA 1.461 12 residues pruned to eliminate duplicates Z: 20 24.906 1.991 0.639 0.926 0.947 0.421 CB 1.296 20 residues pruned to eliminate duplicates Z: 18 22.485 1.873 0.731 0.927 0.882 0.529 CB 1.336 18 residues pruned to eliminate duplicates Z: 21 18.040 2.018 0.482 0.678 0.900 0.750 CB 1.273 21 residues pruned to eliminate duplicates Z: 24 14.695 2.028 0.331 0.398 0.913 0.522 CB 1.385 24 residues pruned to eliminate duplicates Z: 16 5.765 1.815 0.292 0.331 0.800 0.533 CB 0.955 16 residues pruned to eliminate duplicates Z: 11 11.071 1.735 0.260 0.868 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 12 22.785 2.124 0.663 0.854 1.000 0.636 CA 1.436 12 residues pruned to eliminate duplicates Z: 14 13.619 1.842 0.311 0.846 0.923 0.846 CA 1.259 14 residues pruned to eliminate duplicates Z: 6 8.880 2.116 0.223 0.788 1.000 0.400 CB 1.191 6 residues pruned to eliminate duplicates Z: 13 13.591 1.838 0.509 0.848 0.917 0.333 CB 1.144 13 residues pruned to eliminate duplicates Z: 7 4.453 1.770 0.446 0.249 1.000 0.500 CA 0.948 Z: 25 27.294 2.123 0.660 0.729 0.917 0.792 CB 1.404 25 residues pruned to eliminate duplicates Z: 31 34.911 2.033 0.751 0.728 0.967 0.500 CB 1.508 33 residues pruned to eliminate duplicates Z: 68 43.894 2.010 0.767 0.717 0.940 0.493 CB 1.319 68 residues pruned to eliminate duplicates Z: 29 28.851 1.990 0.436 0.708 1.000 0.607 CB 1.579 29 residues pruned to eliminate duplicates Z: 16 8.404 1.789 0.437 0.348 0.933 0.533 CB 1.066 16 residues pruned to eliminate duplicates Z: 14 26.630 1.989 1.012 0.891 0.923 0.385 CB 1.438 14 residues pruned to eliminate duplicates Z: 6 2.862 1.656 0.099 0.357 0.800 0.400 C 1.025 Z: 19 17.934 1.818 0.412 0.902 0.944 0.722 CA 1.244 19 residues pruned to eliminate duplicates Z: 25 19.086 2.001 0.594 0.482 0.833 0.667 CB 1.493 25 residues pruned to eliminate duplicates Z: 16 8.284 1.763 0.288 0.376 0.933 0.667 CB 1.152 16 residues pruned to eliminate duplicates Z: 44 29.176 1.955 0.683 0.757 0.860 0.372 CB 1.250 44 residues pruned to eliminate duplicates Z: 13 14.312 1.805 0.755 0.861 1.000 0.500 CB 0.958 13 residues pruned to eliminate duplicates Z: 32 17.756 2.081 0.206 0.569 0.903 0.548 CB 1.316 32 residues pruned to eliminate duplicates Z: 6 5.794 1.732 0.341 0.413 1.000 0.600 CA 1.222 6 residues pruned to eliminate duplicates Z: 6 8.714 2.143 -0.080 0.884 1.000 0.600 CB 1.429 6 residues pruned to eliminate duplicates Z: 6 9.752 1.869 0.388 0.736 1.000 0.800 CB 1.360 6 residues pruned to eliminate duplicates Z: 16 6.532 1.764 0.309 0.368 0.800 0.467 CB 1.051 16 residues pruned to eliminate duplicates Z: 13 9.067 1.787 0.154 0.635 0.833 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 17 19.933 1.998 0.433 0.910 0.875 0.750 CA 1.410 17 residues pruned to eliminate duplicates Z: 16 16.557 1.803 0.212 0.916 1.000 0.933 CA 1.381 16 residues pruned to eliminate duplicates Z: 6 2.189 1.635 -0.306 0.454 1.000 0.600 CB 0.904 Z: 7 3.574 1.858 -0.364 0.724 1.000 0.500 CB 1.008 7 residues pruned to eliminate duplicates Z: 14 12.728 1.813 0.587 0.415 1.000 0.462 CB 1.342 14 residues pruned to eliminate duplicates Z: 6 2.413 1.622 0.021 0.366 0.800 0.400 CB 0.941 6 residues pruned to eliminate duplicates Z: 12 17.737 1.938 0.470 0.898 1.000 0.909 CB 1.343 12 residues pruned to eliminate duplicates Z: 17 21.033 1.945 0.789 0.910 1.000 0.750 CB 1.072 17 residues pruned to eliminate duplicates Z: 13 15.704 2.030 0.224 0.769 1.000 0.583 CB 1.437 13 residues pruned to eliminate duplicates Z: 15 13.385 1.668 0.448 0.876 1.000 0.714 CB 1.076 15 residues pruned to eliminate duplicates Z: 19 19.443 2.014 0.255 0.876 1.000 0.722 CA 1.317 19 residues pruned to eliminate duplicates Z: 29 24.824 2.217 0.448 0.528 0.929 0.607 CB 1.530 29 residues pruned to eliminate duplicates Z: 10 9.696 1.823 0.335 0.815 0.889 0.667 CB 1.136 8 residues pruned to eliminate duplicates Z: 24 16.812 1.807 0.506 0.607 0.913 0.348 CA 1.274 24 residues pruned to eliminate duplicates Z: 30 28.613 1.930 0.907 0.716 0.862 0.517 CA 1.377 30 residues pruned to eliminate duplicates Z: 8 12.271 1.884 0.602 0.805 1.000 0.571 CA 1.178 13 residues pruned to eliminate duplicates Z: 85 46.765 2.083 0.550 0.619 0.952 0.690 CB 1.483 85 residues pruned to eliminate duplicates Z: 45 27.037 1.977 0.584 0.492 0.909 0.591 CB 1.443 45 residues pruned to eliminate duplicates Z: 7 9.847 1.904 0.158 0.810 1.000 0.667 CB 1.392 7 residues pruned to eliminate duplicates Z: 13 11.385 1.798 0.500 0.847 1.000 0.583 CB 0.904 13 residues pruned to eliminate duplicates Z: 8 9.756 1.838 0.441 0.559 0.857 0.714 C 1.534 8 residues pruned to eliminate duplicates Z: 16 10.225 1.530 0.365 0.856 1.000 0.467 CB 0.932 16 residues pruned to eliminate duplicates Z: 18 29.497 2.093 0.781 0.935 0.941 0.235 CB 1.421 18 residues pruned to eliminate duplicates Z: 48 26.575 2.111 0.554 0.512 0.872 0.553 CB 1.338 48 residues pruned to eliminate duplicates Z: 25 30.333 2.118 0.797 0.742 0.958 0.625 CB 1.366 25 residues pruned to eliminate duplicates Z: 10 4.397 1.458 0.564 0.414 0.667 0.667 N 1.055 Z: 11 20.498 1.960 0.981 0.902 0.900 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 17 10.967 1.686 0.323 0.751 0.938 0.625 CB 1.047 17 residues pruned to eliminate duplicates Z: 16 10.346 1.576 0.484 0.843 0.867 0.800 CB 0.981 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.763 1.594 0.298 0.462 1.000 0.600 CB 0.621 6 residues pruned to eliminate duplicates Z: 14 9.190 1.782 0.700 0.367 1.000 0.308 CB 0.970 14 residues pruned to eliminate duplicates Z: 10 9.206 2.081 0.450 0.188 1.000 0.333 CB 1.479 10 residues pruned to eliminate duplicates Z: 6 6.320 2.165 0.355 0.218 1.000 0.400 CB 1.342 6 residues pruned to eliminate duplicates Z: 10 8.109 1.905 0.402 0.280 1.000 0.444 CB 1.297 10 residues pruned to eliminate duplicates Z: 31 24.301 2.010 0.538 0.535 0.967 0.533 CA 1.434 31 residues pruned to eliminate duplicates Z: 7 3.519 1.698 0.274 0.359 0.833 0.500 CB 0.927 Z: 19 12.956 1.981 0.376 0.424 1.000 0.333 CA 1.212 26 residues pruned to eliminate duplicates Z: 20 21.362 2.038 0.517 0.605 0.947 0.526 CA 1.514 20 residues pruned to eliminate duplicates Z: 24 23.582 1.915 0.542 0.676 1.000 0.565 CB 1.416 24 residues pruned to eliminate duplicates Z: 23 24.105 1.904 0.612 0.753 0.955 0.545 CA 1.400 23 residues pruned to eliminate duplicates Z: 21 20.788 1.968 0.659 0.608 0.900 0.600 CA 1.428 21 residues pruned to eliminate duplicates Z: 29 22.829 1.773 0.615 0.634 0.964 0.464 CA 1.377 29 residues pruned to eliminate duplicates Z: 25 24.286 1.904 0.603 0.688 0.958 0.417 CA 1.427 25 residues pruned to eliminate duplicates Z: 34 25.747 1.891 0.579 0.595 0.970 0.515 CB 1.414 34 residues pruned to eliminate duplicates Z: 32 23.025 1.972 0.612 0.483 0.935 0.452 CA 1.415 32 residues pruned to eliminate duplicates Z: 14 13.983 1.952 0.273 0.775 0.846 0.615 CA 1.447 14 residues pruned to eliminate duplicates Z: 22 24.779 1.910 0.702 0.749 0.905 0.476 CA 1.473 22 residues pruned to eliminate duplicates Z: 18 25.480 2.031 0.673 0.697 0.941 0.412 CB 1.616 18 residues pruned to eliminate duplicates Z: 25 24.046 1.930 0.608 0.647 0.958 0.417 CB 1.439 25 residues pruned to eliminate duplicates Z: 28 22.980 1.861 0.607 0.619 0.926 0.296 CB 1.427 28 residues pruned to eliminate duplicates Z: 21 21.232 1.972 0.573 0.584 1.000 0.150 CB 1.412 21 residues pruned to eliminate duplicates Z: 14 17.233 1.684 0.805 0.854 0.846 0.615 CB 1.372 14 residues pruned to eliminate duplicates Z: 36 24.010 1.865 0.674 0.534 0.971 0.286 CB 1.294 36 residues pruned to eliminate duplicates Z: 31 20.064 1.894 0.572 0.503 0.900 0.300 CB 1.363 31 residues pruned to eliminate duplicates Z: 14 17.012 1.689 0.909 0.897 0.846 0.385 CB 1.238 14 residues pruned to eliminate duplicates Z: 16 24.334 1.919 0.763 0.938 0.933 0.267 CB 1.385 16 residues pruned to eliminate duplicates Z: 25 24.098 1.885 0.721 0.695 0.917 0.208 CA 1.384 25 residues pruned to eliminate duplicates Z: 24 28.269 1.893 0.751 0.704 1.000 0.174 CB 1.477 24 residues pruned to eliminate duplicates Z: 18 24.848 1.893 0.632 0.841 1.000 0.176 CB 1.455 18 residues pruned to eliminate duplicates Z: 19 26.560 1.902 0.893 0.878 0.944 0.611 CA 1.336 16 residues pruned to eliminate duplicates Z: 19 26.239 1.947 0.946 0.868 0.889 0.556 CA 1.343 19 residues pruned to eliminate duplicates Z: 17 33.620 2.053 1.072 0.927 0.938 0.750 CA 1.477 19 residues pruned to eliminate duplicates Z: 17 28.598 2.032 0.877 0.905 0.938 0.625 CA 1.423 17 residues pruned to eliminate duplicates Z: 18 27.093 1.984 0.963 0.848 0.882 0.529 CA 1.418 18 residues pruned to eliminate duplicates Z: 18 25.549 2.009 0.935 0.818 0.882 0.529 CA 1.370 18 residues pruned to eliminate duplicates Z: 18 29.194 1.996 0.849 0.853 1.000 0.647 CA 1.419 18 residues pruned to eliminate duplicates Z: 18 27.422 1.931 1.041 0.859 0.882 0.706 CA 1.407 18 residues pruned to eliminate duplicates Z: 35 30.516 1.994 0.625 0.730 0.941 0.559 CA 1.396 35 residues pruned to eliminate duplicates Z: 31 33.434 2.065 0.691 0.772 0.967 0.467 CA 1.422 32 residues pruned to eliminate duplicates Z: 17 31.857 1.992 1.090 0.897 0.938 0.312 CA 1.461 17 residues pruned to eliminate duplicates Z: 19 27.327 1.913 0.940 0.829 0.944 0.444 CA 1.382 19 residues pruned to eliminate duplicates Z: 63 41.928 2.069 0.648 0.712 0.919 0.565 CB 1.402 63 residues pruned to eliminate duplicates Z: 19 25.732 2.003 0.933 0.784 0.944 0.556 CA 1.293 18 residues pruned to eliminate duplicates Z: 19 26.985 1.871 1.006 0.781 0.944 0.500 CB 1.400 19 residues pruned to eliminate duplicates Z: 33 32.537 2.024 0.706 0.751 0.969 0.500 CA 1.374 33 residues pruned to eliminate duplicates Z: 35 30.711 1.981 0.676 0.716 0.971 0.529 CA 1.344 35 residues pruned to eliminate duplicates Z: 34 31.019 2.008 0.797 0.711 0.939 0.636 CA 1.315 34 residues pruned to eliminate duplicates Z: 122 53.431 2.075 0.636 0.621 0.909 0.570 CB 1.404 122 residues pruned to eliminate duplicates Z: 20 13.001 1.948 0.280 0.547 0.895 0.632 CA 1.277 20 residues pruned to eliminate duplicates Z: 32 34.515 2.067 0.738 0.762 0.935 0.387 CA 1.462 32 residues pruned to eliminate duplicates Z: 32 35.556 2.074 0.678 0.766 0.968 0.516 CA 1.498 32 residues pruned to eliminate duplicates Z: 18 11.302 1.866 0.357 0.534 0.824 0.412 CB 1.272 18 residues pruned to eliminate duplicates Z: 32 32.599 2.066 0.730 0.756 0.903 0.516 CA 1.444 32 residues pruned to eliminate duplicates Z: 33 35.099 2.054 0.827 0.729 0.938 0.406 CA 1.436 33 residues pruned to eliminate duplicates Z: 18 18.080 2.059 0.465 0.883 0.882 0.412 CB 1.191 18 residues pruned to eliminate duplicates Z: 32 31.756 2.044 0.764 0.736 0.871 0.419 CA 1.469 32 residues pruned to eliminate duplicates Z: 106 43.400 2.079 0.496 0.585 0.914 0.562 CB 1.373 106 residues pruned to eliminate duplicates Z: 41 34.732 2.108 0.567 0.785 0.975 0.675 CB 1.328 41 residues pruned to eliminate duplicates Z: 48 25.485 2.008 0.450 0.654 0.894 0.553 CB 1.238 48 residues pruned to eliminate duplicates Z: 34 31.653 2.090 0.621 0.772 0.939 0.697 CB 1.360 34 residues pruned to eliminate duplicates Z: 66 45.881 2.067 0.672 0.775 0.938 0.554 CB 1.377 66 residues pruned to eliminate duplicates Z: 62 38.604 2.020 0.674 0.721 0.885 0.475 CB 1.352 62 residues pruned to eliminate duplicates Z: 66 43.670 2.060 0.706 0.739 0.877 0.508 CB 1.419 66 residues pruned to eliminate duplicates Z: 57 41.376 2.043 0.680 0.726 0.929 0.571 CB 1.415 57 residues pruned to eliminate duplicates Z: 109 56.117 2.067 0.653 0.685 0.935 0.611 CB 1.427 109 residues pruned to eliminate duplicates Z: 59 45.439 2.086 0.676 0.764 0.948 0.517 CB 1.424 59 residues pruned to eliminate duplicates Z: 60 45.566 2.071 0.713 0.749 0.932 0.508 CB 1.436 60 residues pruned to eliminate duplicates Z: 60 39.077 2.022 0.703 0.754 0.881 0.475 CB 1.337 60 residues pruned to eliminate duplicates Z: 41 31.197 2.100 0.513 0.740 0.925 0.600 CB 1.352 41 residues pruned to eliminate duplicates Z: 65 49.557 2.094 0.755 0.772 0.922 0.547 CB 1.438 65 residues pruned to eliminate duplicates Z: 93 47.455 2.076 0.552 0.656 0.935 0.620 CB 1.421 93 residues pruned to eliminate duplicates Z: 38 30.480 2.063 0.574 0.792 0.919 0.622 CB 1.299 38 residues pruned to eliminate duplicates Z: 40 36.877 2.127 0.663 0.793 0.949 0.718 CB 1.361 40 residues pruned to eliminate duplicates Z: 118 60.025 2.068 0.641 0.676 0.957 0.590 CB 1.453 118 residues pruned to eliminate duplicates Z: 62 39.866 2.017 0.592 0.727 0.934 0.459 CB 1.387 62 residues pruned to eliminate duplicates Z: 60 37.905 2.022 0.634 0.722 0.898 0.542 CB 1.360 60 residues pruned to eliminate duplicates Z: 35 28.686 2.047 0.609 0.704 0.912 0.588 CB 1.360 35 residues pruned to eliminate duplicates Z: 50 31.709 2.046 0.501 0.679 0.918 0.592 CB 1.362 50 residues pruned to eliminate duplicates Z: 65 46.942 2.087 0.708 0.748 0.922 0.562 CB 1.430 65 residues pruned to eliminate duplicates Z: 65 39.131 1.989 0.686 0.697 0.891 0.484 CB 1.369 65 residues pruned to eliminate duplicates Z: 59 43.612 2.068 0.632 0.763 0.931 0.569 CB 1.443 59 residues pruned to eliminate duplicates Z: 15 18.584 2.021 0.410 0.760 0.929 0.714 CA 1.490 15 residues pruned to eliminate duplicates Z: 66 44.459 2.076 0.675 0.744 0.908 0.508 CB 1.405 66 residues pruned to eliminate duplicates Z: 21 29.452 2.164 0.731 0.772 0.950 0.800 CB 1.454 21 residues pruned to eliminate duplicates Z: 154 54.213 2.061 0.560 0.632 0.902 0.529 CB 1.335 166 residues pruned to eliminate duplicates Z: 6 3.801 1.380 0.670 0.292 0.800 0.600 CB 1.164 6 residues pruned to eliminate duplicates Z: 64 47.459 2.084 0.676 0.771 0.952 0.587 CB 1.413 64 residues pruned to eliminate duplicates Z: 66 47.478 2.071 0.795 0.763 0.923 0.615 CB 1.359 66 residues pruned to eliminate duplicates Z: 22 26.684 2.072 0.789 0.709 0.952 0.810 CB 1.363 22 residues pruned to eliminate duplicates Z: 69 49.767 2.067 0.745 0.718 0.956 0.588 CB 1.437 69 residues pruned to eliminate duplicates Z: 103 51.485 2.106 0.519 0.651 0.951 0.667 CB 1.456 103 residues pruned to eliminate duplicates Z: 63 46.053 2.113 0.643 0.641 0.984 0.726 CB 1.500 63 residues pruned to eliminate duplicates Z: 90 49.232 2.109 0.607 0.614 0.966 0.663 CB 1.430 90 residues pruned to eliminate duplicates Z: 45 32.438 2.018 0.641 0.572 0.932 0.591 CB 1.479 45 residues pruned to eliminate duplicates Z: 58 31.754 2.054 0.316 0.545 0.982 0.702 CB 1.516 58 residues pruned to eliminate duplicates Z: 135 59.958 2.090 0.629 0.664 0.933 0.612 CB 1.401 135 residues pruned to eliminate duplicates Z: 15 20.231 1.980 0.979 0.664 0.929 0.714 CB 1.277 15 residues pruned to eliminate duplicates Z: 14 21.067 2.017 0.868 0.703 0.923 0.692 CA 1.396 14 residues pruned to eliminate duplicates Z: 95 43.359 2.083 0.574 0.601 0.904 0.574 CB 1.369 95 residues pruned to eliminate duplicates Z: 117 46.051 2.049 0.543 0.600 0.897 0.629 CB 1.372 117 residues pruned to eliminate duplicates Z: 124 62.304 2.096 0.683 0.666 0.943 0.626 CB 1.448 124 residues pruned to eliminate duplicates Z: 71 39.801 2.092 0.604 0.588 0.943 0.614 CB 1.382 71 residues pruned to eliminate duplicates Z: 62 34.170 2.048 0.526 0.538 0.934 0.656 CB 1.443 62 residues pruned to eliminate duplicates Z: 122 59.717 2.091 0.608 0.662 0.959 0.603 CB 1.449 122 residues pruned to eliminate duplicates Z: 136 56.198 2.072 0.613 0.635 0.896 0.548 CB 1.422 136 residues pruned to eliminate duplicates Z: 102 50.464 2.106 0.607 0.639 0.921 0.614 CB 1.414 102 residues pruned to eliminate duplicates Z: 65 36.963 2.070 0.468 0.546 0.969 0.719 CB 1.500 65 residues pruned to eliminate duplicates Z: 127 55.944 2.057 0.613 0.645 0.921 0.587 CB 1.425 127 residues pruned to eliminate duplicates Z: 62 38.742 2.105 0.520 0.529 0.951 0.656 CB 1.584 62 residues pruned to eliminate duplicates Z: 56 34.785 2.110 0.500 0.580 0.945 0.545 CB 1.451 56 residues pruned to eliminate duplicates Z: 130 58.547 2.060 0.618 0.662 0.938 0.566 CB 1.420 130 residues pruned to eliminate duplicates Z: 39 27.565 2.004 0.510 0.499 0.974 0.605 CB 1.519 39 residues pruned to eliminate duplicates Z: 50 28.153 2.072 0.404 0.495 0.918 0.510 CB 1.514 50 residues pruned to eliminate duplicates Z: 67 33.941 2.074 0.440 0.518 0.924 0.636 CB 1.487 67 residues pruned to eliminate duplicates Z: 105 52.830 2.120 0.585 0.629 0.942 0.635 CB 1.450 105 residues pruned to eliminate duplicates Z: 67 33.537 2.082 0.402 0.590 0.909 0.545 CB 1.427 67 residues pruned to eliminate duplicates Z: 125 54.356 2.062 0.649 0.635 0.887 0.589 CB 1.426 125 residues pruned to eliminate duplicates Z: 86 48.199 2.056 0.649 0.686 0.918 0.565 CB 1.416 86 residues pruned to eliminate duplicates Z: 33 23.531 1.917 0.589 0.491 0.906 0.656 CB 1.521 33 residues pruned to eliminate duplicates Z: 40 28.984 2.064 0.447 0.538 0.949 0.615 CB 1.579 40 residues pruned to eliminate duplicates Z: 49 22.307 2.029 0.243 0.453 0.896 0.417 CB 1.495 49 residues pruned to eliminate duplicates Z: 56 34.602 2.078 0.543 0.552 0.945 0.436 CB 1.463 56 residues pruned to eliminate duplicates Z: 43 26.295 2.022 0.523 0.457 0.857 0.476 CB 1.606 43 residues pruned to eliminate duplicates Z: 39 28.498 2.102 0.497 0.519 0.947 0.553 CB 1.522 39 residues pruned to eliminate duplicates Z: 50 27.737 2.058 0.436 0.511 0.918 0.592 CB 1.443 50 residues pruned to eliminate duplicates Z: 72 31.773 2.054 0.488 0.559 0.873 0.521 CB 1.333 73 residues pruned to eliminate duplicates Z: 14 20.969 1.912 0.868 0.870 1.000 0.615 CB 1.188 14 residues pruned to eliminate duplicates Z: 53 30.944 2.001 0.536 0.555 0.923 0.481 CB 1.434 53 residues pruned to eliminate duplicates Z: 58 35.242 2.073 0.611 0.558 0.947 0.614 CB 1.395 58 residues pruned to eliminate duplicates Z: 45 27.270 2.015 0.627 0.519 0.909 0.500 CB 1.354 45 residues pruned to eliminate duplicates Z: 69 35.442 2.046 0.711 0.491 0.897 0.515 CB 1.382 69 residues pruned to eliminate duplicates Z: 126 44.700 2.040 0.613 0.563 0.856 0.568 CB 1.336 123 residues pruned to eliminate duplicates Z: 9 5.471 1.508 0.275 0.545 0.875 0.625 CA 1.101 9 residues pruned to eliminate duplicates Z: 39 27.024 2.026 0.538 0.477 0.921 0.605 CB 1.563 39 residues pruned to eliminate duplicates Z: 51 28.751 2.072 0.502 0.531 0.880 0.520 CB 1.440 51 residues pruned to eliminate duplicates Z: 50 32.072 2.119 0.557 0.549 0.898 0.449 CB 1.475 50 residues pruned to eliminate duplicates Z: 15 19.823 2.184 0.488 0.519 1.000 0.571 CB 1.600 15 residues pruned to eliminate duplicates Z: 153 58.206 2.083 0.673 0.648 0.875 0.579 CB 1.349 153 residues pruned to eliminate duplicates Z: 64 32.325 2.108 0.508 0.564 0.905 0.508 CB 1.331 64 residues pruned to eliminate duplicates Z: 59 39.654 2.043 0.717 0.542 0.948 0.552 CB 1.502 59 residues pruned to eliminate duplicates Z: 39 29.532 2.074 0.585 0.506 0.947 0.526 CB 1.529 39 residues pruned to eliminate duplicates Z: 13 18.189 2.145 0.579 0.462 0.917 0.667 CB 1.758 13 residues pruned to eliminate duplicates Z: 48 26.326 2.102 0.580 0.540 0.809 0.553 CB 1.375 48 residues pruned to eliminate duplicates Z: 53 29.659 2.096 0.481 0.492 0.923 0.500 CB 1.447 53 residues pruned to eliminate duplicates Z: 38 32.113 2.121 0.663 0.555 0.919 0.595 CB 1.544 38 residues pruned to eliminate duplicates Z: 20 10.086 1.929 0.438 0.431 0.737 0.421 CB 1.215 20 residues pruned to eliminate duplicates Z: 53 28.115 2.123 0.457 0.465 0.904 0.442 CB 1.445 53 residues pruned to eliminate duplicates Z: 110 49.734 2.113 0.640 0.622 0.917 0.486 CB 1.335 110 residues pruned to eliminate duplicates Z: 22 19.698 2.031 0.391 0.492 0.952 0.524 CB 1.610 22 residues pruned to eliminate duplicates Z: 43 28.921 2.120 0.506 0.526 0.881 0.619 CB 1.547 43 residues pruned to eliminate duplicates Z: 68 36.187 2.077 0.674 0.549 0.910 0.552 CB 1.331 68 residues pruned to eliminate duplicates Z: 105 45.163 2.026 0.582 0.626 0.913 0.423 CB 1.344 105 residues pruned to eliminate duplicates Z: 7 5.164 2.208 -0.282 0.665 0.833 0.500 CB 1.369 7 residues pruned to eliminate duplicates Z: 10 5.523 2.188 0.381 0.444 0.667 0.333 CB 0.968 10 residues pruned to eliminate duplicates Z: 56 31.400 2.090 0.559 0.502 0.927 0.600 CB 1.398 56 residues pruned to eliminate duplicates Z: 13 11.474 2.230 0.333 0.619 0.833 0.333 CB 1.195 13 residues pruned to eliminate duplicates Z: 12 11.624 2.180 0.655 0.582 0.727 0.455 CB 1.234 12 residues pruned to eliminate duplicates Z: 20 11.329 1.996 0.519 0.460 0.789 0.368 CB 1.131 20 residues pruned to eliminate duplicates Z: 50 31.479 2.126 0.453 0.543 0.959 0.469 CB 1.455 50 residues pruned to eliminate duplicates Z: 26 16.747 2.100 0.621 0.557 0.840 0.640 CB 1.108 26 residues pruned to eliminate duplicates Z: 27 18.186 2.085 0.569 0.592 0.846 0.577 CB 1.180 27 residues pruned to eliminate duplicates Z: 65 36.419 2.109 0.640 0.588 0.891 0.578 CB 1.358 65 residues pruned to eliminate duplicates Z: 21 11.343 2.024 0.473 0.622 0.800 0.550 CB 0.948 21 residues pruned to eliminate duplicates Z: 15 14.050 1.976 0.744 0.566 0.857 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 14 14.574 2.031 0.750 0.697 0.923 0.769 CB 1.029 14 residues pruned to eliminate duplicates Z: 31 16.117 1.869 0.606 0.563 0.900 0.667 CB 1.024 31 residues pruned to eliminate duplicates Z: 12 14.226 2.172 0.573 0.737 0.909 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 69 32.365 2.056 0.601 0.507 0.897 0.559 CB 1.319 69 residues pruned to eliminate duplicates Z: 27 18.942 1.962 0.856 0.657 0.923 0.654 CB 0.955 27 residues pruned to eliminate duplicates Z: 28 16.604 1.985 0.507 0.553 0.926 0.704 CB 1.096 28 residues pruned to eliminate duplicates Z: 29 19.085 1.993 0.570 0.621 0.964 0.786 CB 1.066 29 residues pruned to eliminate duplicates Z: 21 17.696 2.080 0.497 0.644 1.000 0.800 CB 1.111 21 residues pruned to eliminate duplicates Z: 19 14.671 2.045 0.484 0.605 0.944 0.667 CB 1.092 19 residues pruned to eliminate duplicates Z: 19 13.959 2.020 0.562 0.627 0.889 0.667 CB 1.041 19 residues pruned to eliminate duplicates Z: 41 15.623 1.940 0.579 0.408 0.800 0.550 CB 1.110 41 residues pruned to eliminate duplicates Z: 18 8.588 1.982 0.498 0.207 0.765 0.412 CB 1.298 18 residues pruned to eliminate duplicates Z: 36 28.219 2.093 0.726 0.573 0.857 0.543 CB 1.437 36 residues pruned to eliminate duplicates Z: 20 13.768 1.920 0.791 0.294 0.789 0.421 CA 1.465 20 residues pruned to eliminate duplicates Z: 28 12.571 1.979 0.576 0.415 0.741 0.444 CB 1.145 28 residues pruned to eliminate duplicates Z: 33 30.853 2.053 0.879 0.578 0.906 0.531 CB 1.446 33 residues pruned to eliminate duplicates Z: 36 28.803 2.072 0.654 0.575 0.886 0.686 CB 1.491 36 residues pruned to eliminate duplicates Z: 36 27.596 2.045 0.754 0.559 0.857 0.657 CB 1.433 36 residues pruned to eliminate duplicates Z: 13 10.083 2.003 0.708 0.358 0.750 0.417 CB 1.322 13 residues pruned to eliminate duplicates Z: 18 14.069 2.192 0.719 0.301 0.824 0.353 CB 1.372 18 residues pruned to eliminate duplicates Z: 35 33.354 2.109 0.775 0.607 0.941 0.676 CB 1.467 35 residues pruned to eliminate duplicates Z: 16 17.055 2.148 0.928 0.323 0.867 0.533 CB 1.490 16 residues pruned to eliminate duplicates Z: 56 33.110 2.072 0.683 0.553 0.909 0.545 CB 1.337 54 residues pruned to eliminate duplicates Z: 6 9.161 1.998 0.722 0.332 0.800 0.400 N 1.789 6 residues pruned to eliminate duplicates Z: 25 26.552 2.048 0.499 0.745 0.917 0.500 CB 1.547 25 residues pruned to eliminate duplicates Z: 37 29.231 2.054 0.740 0.558 0.889 0.583 CB 1.449 37 residues pruned to eliminate duplicates Z: 35 33.693 2.086 0.761 0.633 0.941 0.588 CB 1.475 35 residues pruned to eliminate duplicates Z: 36 31.371 2.048 0.795 0.600 0.914 0.543 CB 1.435 36 residues pruned to eliminate duplicates Z: 25 25.163 2.001 0.536 0.697 0.917 0.500 CB 1.522 25 residues pruned to eliminate duplicates Z: 26 28.323 2.022 0.620 0.707 0.960 0.600 CB 1.493 26 residues pruned to eliminate duplicates Z: 19 26.104 2.075 0.563 0.885 0.944 0.722 CB 1.450 19 residues pruned to eliminate duplicates Z: 23 27.097 2.030 0.593 0.753 0.955 0.591 CB 1.494 23 residues pruned to eliminate duplicates Z: 36 27.872 2.007 0.942 0.566 0.857 0.371 CB 1.323 36 residues pruned to eliminate duplicates Z: 22 24.535 1.979 0.787 0.776 0.905 0.381 CB 1.312 22 residues pruned to eliminate duplicates Z: 37 28.824 2.012 0.867 0.573 0.861 0.417 CB 1.385 37 residues pruned to eliminate duplicates Z: 38 33.546 2.005 0.920 0.582 0.919 0.432 CB 1.441 38 residues pruned to eliminate duplicates Z: 36 28.529 2.019 0.766 0.597 0.886 0.400 CB 1.392 36 residues pruned to eliminate duplicates Z: 20 25.926 2.062 0.733 0.828 0.895 0.421 CB 1.401 20 residues pruned to eliminate duplicates Z: 36 27.575 2.017 0.752 0.587 0.886 0.314 CB 1.370 36 residues pruned to eliminate duplicates Z: 25 28.235 2.024 0.758 0.705 0.958 0.458 CB 1.403 25 residues pruned to eliminate duplicates Z: 23 20.350 1.835 0.715 0.779 0.909 0.318 CB 1.186 23 residues pruned to eliminate duplicates Z: 35 31.742 2.098 0.860 0.609 0.912 0.500 CB 1.379 35 residues pruned to eliminate duplicates Z: 21 26.965 1.970 0.827 0.876 0.950 0.200 CB 1.282 21 residues pruned to eliminate duplicates Z: 23 22.576 1.904 0.919 0.782 0.864 0.409 CB 1.190 23 residues pruned to eliminate duplicates Z: 73 37.360 2.027 0.564 0.584 0.944 0.653 CB 1.356 73 residues pruned to eliminate duplicates Z: 14 11.789 1.579 0.588 0.836 1.000 0.846 CB 0.976 14 residues pruned to eliminate duplicates Z: 15 10.505 1.612 0.316 0.822 1.000 0.643 CB 1.001 15 residues pruned to eliminate duplicates Z: 20 11.354 1.536 0.567 0.744 0.947 0.579 CB 0.918 20 residues pruned to eliminate duplicates Z: 19 11.158 1.604 0.559 0.696 0.833 0.611 CB 1.055 19 residues pruned to eliminate duplicates Z: 16 12.490 1.684 0.418 0.810 0.933 0.733 CB 1.105 16 residues pruned to eliminate duplicates Z: 17 10.356 1.697 0.301 0.738 0.875 0.562 CB 1.083 17 residues pruned to eliminate duplicates Z: 18 12.368 1.645 0.428 0.782 0.941 0.647 CB 1.057 17 residues pruned to eliminate duplicates Z: 15 12.877 1.659 0.450 0.855 1.000 0.643 CB 1.056 15 residues pruned to eliminate duplicates Z: 18 11.250 1.661 0.264 0.728 0.941 0.588 CB 1.124 18 residues pruned to eliminate duplicates Z: 17 11.406 1.705 0.342 0.747 0.938 0.625 CB 1.066 18 residues pruned to eliminate duplicates Z: 15 9.111 1.633 0.343 0.828 0.929 0.571 CB 0.900 15 residues pruned to eliminate duplicates Z: 18 11.029 1.704 0.383 0.735 0.882 0.588 CB 1.041 18 residues pruned to eliminate duplicates Z: 16 11.294 1.641 0.470 0.818 0.933 0.667 CB 0.983 16 residues pruned to eliminate duplicates Z: 34 23.945 1.866 0.438 0.769 0.939 0.727 CB 1.303 34 residues pruned to eliminate duplicates Z: 61 29.608 1.861 0.379 0.767 0.933 0.700 CB 1.259 61 residues pruned to eliminate duplicates Z: 38 23.607 1.954 0.434 0.714 0.838 0.622 CB 1.361 38 residues pruned to eliminate duplicates Z: 47 25.652 1.834 0.423 0.717 0.935 0.630 CA 1.274 47 residues pruned to eliminate duplicates Z: 30 29.554 1.979 0.649 0.766 0.966 0.759 CB 1.375 30 residues pruned to eliminate duplicates Z: 98 46.051 1.979 0.662 0.689 0.876 0.557 CB 1.364 98 residues pruned to eliminate duplicates Z: 21 22.890 1.934 0.693 0.707 0.900 0.500 CB 1.439 21 residues pruned to eliminate duplicates Z: 19 22.892 1.941 0.595 0.842 0.944 0.667 CA 1.375 19 residues pruned to eliminate duplicates Z: 29 27.661 1.982 0.568 0.748 0.929 0.679 CB 1.452 29 residues pruned to eliminate duplicates Z: 45 33.746 1.987 0.435 0.781 0.955 0.636 CB 1.460 45 residues pruned to eliminate duplicates Z: 18 22.905 2.031 0.639 0.810 0.882 0.706 CA 1.444 18 residues pruned to eliminate duplicates Z: 46 26.298 1.826 0.496 0.730 0.911 0.689 CB 1.280 45 residues pruned to eliminate duplicates Z: 18 28.899 1.926 0.910 0.859 0.941 0.647 CA 1.489 18 residues pruned to eliminate duplicates Z: 61 43.013 2.023 0.621 0.770 0.933 0.700 CB 1.429 61 residues pruned to eliminate duplicates Z: 36 23.788 1.823 0.644 0.725 0.886 0.543 CB 1.237 36 residues pruned to eliminate duplicates Z: 67 44.687 2.036 0.575 0.732 0.939 0.652 CB 1.482 67 residues pruned to eliminate duplicates Z: 43 28.469 1.872 0.474 0.742 0.952 0.643 CB 1.346 43 residues pruned to eliminate duplicates Z: 30 26.823 1.937 0.586 0.744 0.966 0.724 CA 1.349 30 residues pruned to eliminate duplicates Z: 67 41.737 2.047 0.492 0.729 0.955 0.606 CB 1.434 67 residues pruned to eliminate duplicates Z: 45 24.846 1.846 0.362 0.727 0.955 0.705 CA 1.271 45 residues pruned to eliminate duplicates Z: 45 34.544 2.002 0.463 0.777 0.955 0.614 CA 1.458 45 residues pruned to eliminate duplicates Z: 89 46.496 2.028 0.607 0.694 0.898 0.580 CB 1.419 89 residues pruned to eliminate duplicates Z: 28 15.742 1.905 0.169 0.643 0.963 0.630 CB 1.236 28 residues pruned to eliminate duplicates Z: 82 43.143 1.945 0.599 0.745 0.914 0.630 CB 1.356 82 residues pruned to eliminate duplicates Z: 55 33.236 1.884 0.560 0.741 0.926 0.667 CB 1.340 55 residues pruned to eliminate duplicates Z: 62 35.695 1.900 0.580 0.738 0.918 0.525 CB 1.339 62 residues pruned to eliminate duplicates Z: 78 39.474 1.947 0.602 0.705 0.883 0.494 CB 1.355 78 residues pruned to eliminate duplicates Z: 139 60.641 2.066 0.649 0.664 0.906 0.616 CB 1.437 139 residues pruned to eliminate duplicates Z: 126 60.568 2.108 0.622 0.643 0.936 0.656 CB 1.481 126 residues pruned to eliminate duplicates Z: 77 43.103 1.983 0.533 0.761 0.934 0.632 CB 1.381 77 residues pruned to eliminate duplicates Z: 47 35.540 1.981 0.506 0.763 0.978 0.609 CB 1.421 47 residues pruned to eliminate duplicates Z: 44 35.846 1.955 0.562 0.739 0.977 0.605 CB 1.479 44 residues pruned to eliminate duplicates Z: 46 36.492 1.961 0.574 0.786 0.978 0.489 CB 1.402 46 residues pruned to eliminate duplicates Z: 130 62.195 2.076 0.762 0.627 0.915 0.574 CB 1.452 130 residues pruned to eliminate duplicates Z: 136 62.041 2.095 0.666 0.626 0.933 0.593 CB 1.455 136 residues pruned to eliminate duplicates Z: 124 62.726 2.110 0.759 0.633 0.911 0.602 CB 1.477 124 residues pruned to eliminate duplicates Z: 48 42.257 2.072 0.842 0.712 0.936 0.638 CB 1.424 48 residues pruned to eliminate duplicates Z: 25 22.761 1.916 0.493 0.756 0.917 0.500 CB 1.412 25 residues pruned to eliminate duplicates Z: 95 48.475 1.999 0.789 0.693 0.894 0.500 CB 1.311 95 residues pruned to eliminate duplicates Z: 60 37.785 1.906 0.598 0.739 0.966 0.576 CB 1.349 61 residues pruned to eliminate duplicates Z: 12 23.964 2.153 1.056 0.811 0.818 0.727 CB 1.522 12 residues pruned to eliminate duplicates Z: 77 55.534 2.189 0.841 0.596 0.947 0.539 CB 1.522 77 residues pruned to eliminate duplicates Z: 20 32.248 2.170 0.896 0.708 0.947 0.579 CA 1.570 20 residues pruned to eliminate duplicates Z: 97 53.058 2.010 0.696 0.736 0.917 0.625 CB 1.402 97 residues pruned to eliminate duplicates Z: 13 17.623 2.083 0.544 0.782 0.833 0.500 CB 1.480 13 residues pruned to eliminate duplicates Z: 37 33.956 2.137 0.809 0.655 0.889 0.583 CB 1.426 37 residues pruned to eliminate duplicates Z: 36 34.922 2.144 0.933 0.649 0.857 0.486 CB 1.446 36 residues pruned to eliminate duplicates Z: 18 23.829 2.142 0.838 0.703 0.824 0.588 CB 1.482 18 residues pruned to eliminate duplicates Z: 24 32.935 2.195 0.988 0.591 0.913 0.609 CB 1.581 24 residues pruned to eliminate duplicates Z: 35 37.597 2.198 0.944 0.684 0.853 0.735 CB 1.494 35 residues pruned to eliminate duplicates Z: 79 49.713 2.190 0.713 0.584 0.923 0.615 CB 1.499 79 residues pruned to eliminate duplicates Z: 100 48.796 2.155 0.613 0.557 0.919 0.596 CB 1.451 100 residues pruned to eliminate duplicates Z: 77 51.521 2.196 0.725 0.581 0.934 0.579 CB 1.544 77 residues pruned to eliminate duplicates Z: 19 29.616 2.158 0.975 0.649 0.833 0.500 CB 1.712 19 residues pruned to eliminate duplicates Z: 110 58.971 2.099 0.720 0.668 0.927 0.578 CB 1.446 110 residues pruned to eliminate duplicates Z: 22 29.618 2.081 0.773 0.685 0.952 0.667 CB 1.552 22 residues pruned to eliminate duplicates Z: 20 30.507 2.210 0.936 0.656 0.895 0.579 CA 1.581 20 residues pruned to eliminate duplicates Z: 132 61.028 2.092 0.659 0.632 0.924 0.534 CB 1.470 132 residues pruned to eliminate duplicates Z: 122 58.238 2.097 0.678 0.618 0.926 0.562 CB 1.454 122 residues pruned to eliminate duplicates Z: 23 17.832 1.868 0.883 0.528 0.864 0.545 CB 1.218 23 residues pruned to eliminate duplicates Z: 84 49.453 2.152 0.690 0.571 0.952 0.639 CB 1.465 84 residues pruned to eliminate duplicates Z: 71 47.284 2.160 0.736 0.601 0.914 0.643 CB 1.498 71 residues pruned to eliminate duplicates Z: 121 63.436 2.123 0.698 0.655 0.933 0.608 CB 1.491 121 residues pruned to eliminate duplicates Z: 19 23.209 2.054 0.953 0.616 0.833 0.556 CB 1.467 19 residues pruned to eliminate duplicates Z: 77 49.345 2.177 0.696 0.585 0.934 0.645 CB 1.513 77 residues pruned to eliminate duplicates Z: 98 49.604 2.005 0.673 0.716 0.907 0.588 CB 1.362 98 residues pruned to eliminate duplicates Z: 58 41.735 2.176 0.709 0.561 0.930 0.632 CB 1.507 58 residues pruned to eliminate duplicates Z: 26 20.060 2.034 0.623 0.537 0.840 0.640 CB 1.395 26 residues pruned to eliminate duplicates Z: 17 16.453 2.109 0.551 0.635 0.812 0.562 CB 1.364 17 residues pruned to eliminate duplicates Z: 34 39.274 2.164 0.954 0.725 0.909 0.758 CB 1.451 34 residues pruned to eliminate duplicates Z: 62 39.631 2.121 0.619 0.548 0.967 0.525 CB 1.458 62 residues pruned to eliminate duplicates Z: 57 41.657 2.176 0.716 0.563 0.946 0.732 CB 1.481 57 residues pruned to eliminate duplicates Z: 59 41.181 2.158 0.689 0.573 0.948 0.603 CB 1.458 59 residues pruned to eliminate duplicates Z: 57 41.458 2.164 0.783 0.562 0.929 0.696 CB 1.455 57 residues pruned to eliminate duplicates Z: 57 41.375 2.172 0.651 0.574 0.946 0.643 CB 1.517 57 residues pruned to eliminate duplicates Z: 44 39.767 2.210 0.664 0.538 1.000 0.581 CB 1.589 44 residues pruned to eliminate duplicates Z: 69 48.587 2.179 0.715 0.566 0.971 0.618 CB 1.525 69 residues pruned to eliminate duplicates Z: 68 40.998 2.112 0.670 0.564 0.896 0.597 CB 1.491 68 residues pruned to eliminate duplicates Z: 41 38.463 2.189 0.729 0.640 0.950 0.700 CB 1.483 41 residues pruned to eliminate duplicates Z: 59 41.468 2.130 0.626 0.583 0.966 0.690 CB 1.503 59 residues pruned to eliminate duplicates Z: 109 54.454 2.100 0.664 0.609 0.926 0.602 CB 1.460 109 residues pruned to eliminate duplicates Z: 61 44.941 2.136 0.705 0.546 0.967 0.617 CB 1.576 61 residues pruned to eliminate duplicates Z: 79 44.256 2.151 0.663 0.532 0.936 0.603 CB 1.451 79 residues pruned to eliminate duplicates Z: 45 35.700 2.154 0.661 0.512 0.977 0.659 CB 1.521 45 residues pruned to eliminate duplicates Z: 89 45.227 2.168 0.691 0.548 0.909 0.568 CB 1.380 89 residues pruned to eliminate duplicates Z: 29 23.928 2.141 0.534 0.540 0.857 0.500 CB 1.545 29 residues pruned to eliminate duplicates Z: 61 41.237 2.156 0.647 0.559 0.950 0.650 CB 1.490 61 residues pruned to eliminate duplicates Z: 86 41.465 2.082 0.589 0.532 0.918 0.541 CB 1.436 86 residues pruned to eliminate duplicates Z: 135 58.570 2.088 0.683 0.629 0.910 0.567 CB 1.400 135 residues pruned to eliminate duplicates Z: 49 31.536 2.128 0.588 0.500 0.917 0.562 CB 1.469 49 residues pruned to eliminate duplicates Z: 56 44.219 2.222 0.650 0.576 0.982 0.618 CB 1.540 56 residues pruned to eliminate duplicates Z: 59 39.590 2.173 0.628 0.543 0.948 0.638 CB 1.486 59 residues pruned to eliminate duplicates Z: 36 35.555 2.231 0.664 0.549 1.000 0.657 CB 1.542 36 residues pruned to eliminate duplicates Z: 59 39.902 2.120 0.644 0.590 0.966 0.672 CB 1.429 59 residues pruned to eliminate duplicates Z: 53 43.495 2.180 0.765 0.586 0.942 0.673 CB 1.532 53 residues pruned to eliminate duplicates Z: 52 35.955 2.150 0.546 0.546 0.961 0.588 CB 1.506 52 residues pruned to eliminate duplicates Z: 58 42.905 2.174 0.768 0.567 0.930 0.561 CB 1.491 58 residues pruned to eliminate duplicates Z: 92 50.811 2.171 0.685 0.561 0.923 0.538 CB 1.486 92 residues pruned to eliminate duplicates Z: 123 62.046 2.122 0.690 0.644 0.934 0.639 CB 1.465 123 residues pruned to eliminate duplicates Z: 58 33.417 2.113 0.663 0.476 0.930 0.474 CB 1.388 58 residues pruned to eliminate duplicates Z: 45 35.050 2.166 0.625 0.535 0.977 0.614 CB 1.484 45 residues pruned to eliminate duplicates Z: 61 42.024 2.127 0.728 0.546 0.967 0.650 CB 1.460 61 residues pruned to eliminate duplicates Z: 59 44.892 2.162 0.733 0.582 0.966 0.655 CB 1.506 59 residues pruned to eliminate duplicates Z: 73 47.812 2.139 0.779 0.536 0.972 0.639 CB 1.471 73 residues pruned to eliminate duplicates Z: 42 32.646 2.174 0.743 0.590 0.854 0.537 CB 1.447 42 residues pruned to eliminate duplicates Z: 45 33.214 2.170 0.705 0.495 0.909 0.568 CB 1.496 45 residues pruned to eliminate duplicates Z: 70 42.228 2.167 0.627 0.560 0.928 0.652 CB 1.467 70 residues pruned to eliminate duplicates Z: 79 50.511 2.181 0.791 0.573 0.910 0.641 CB 1.499 79 residues pruned to eliminate duplicates Z: 57 46.811 2.207 0.801 0.583 0.946 0.607 CB 1.535 57 residues pruned to eliminate duplicates Z: 75 46.940 2.132 0.802 0.557 0.919 0.568 CB 1.463 75 residues pruned to eliminate duplicates Z: 72 40.319 2.120 0.758 0.503 0.901 0.507 CB 1.420 72 residues pruned to eliminate duplicates Z: 64 37.704 2.115 0.601 0.540 0.905 0.635 CB 1.492 64 residues pruned to eliminate duplicates Z: 58 42.342 2.155 0.751 0.552 0.930 0.544 CB 1.520 58 residues pruned to eliminate duplicates Z: 58 40.714 2.171 0.735 0.563 0.912 0.632 CB 1.476 58 residues pruned to eliminate duplicates Z: 122 65.314 2.121 0.781 0.641 0.942 0.595 CB 1.463 122 residues pruned to eliminate duplicates Z: 61 41.341 2.138 0.702 0.546 0.950 0.633 CB 1.475 61 residues pruned to eliminate duplicates Z: 19 16.625 2.056 0.691 0.402 0.889 0.611 CB 1.406 19 residues pruned to eliminate duplicates Z: 137 65.607 2.106 0.766 0.635 0.912 0.529 CB 1.462 137 residues pruned to eliminate duplicates Z: 92 45.288 2.038 0.652 0.595 0.945 0.560 CB 1.363 92 residues pruned to eliminate duplicates Z: 156 61.609 2.061 0.623 0.653 0.916 0.594 CB 1.401 156 residues pruned to eliminate duplicates Z: 18 13.924 2.003 0.525 0.498 0.882 0.471 CB 1.255 28 residues pruned to eliminate duplicates Z: 13 12.850 2.152 0.573 0.609 0.917 0.333 CB 1.078 13 residues pruned to eliminate duplicates Z: 12 11.273 2.225 0.627 0.657 0.727 0.455 CB 1.116 12 residues pruned to eliminate duplicates Z: 15 12.062 2.110 0.638 0.553 0.786 0.571 CB 1.127 15 residues pruned to eliminate duplicates Z: 21 14.060 1.942 0.636 0.505 0.850 0.400 CB 1.158 21 residues pruned to eliminate duplicates Z: 20 17.171 2.111 0.660 0.524 0.737 0.579 CB 1.490 20 residues pruned to eliminate duplicates Z: 8 11.588 2.026 0.802 0.523 0.857 0.286 CA 1.368 8 residues pruned to eliminate duplicates Z: 14 14.888 2.040 0.699 0.477 0.692 0.385 CA 1.761 14 residues pruned to eliminate duplicates Z: 8 16.390 2.194 0.982 0.589 1.000 0.286 CB 1.308 8 residues pruned to eliminate duplicates Z: 153 66.295 2.069 0.685 0.652 0.928 0.592 CB 1.442 153 residues pruned to eliminate duplicates Z: 16 13.617 1.905 0.593 0.507 0.800 0.333 CB 1.438 16 residues pruned to eliminate duplicates Z: 110 59.478 2.173 0.724 0.616 0.908 0.642 CB 1.500 110 residues pruned to eliminate duplicates Z: 29 30.521 2.160 0.867 0.671 0.857 0.500 CB 1.424 29 residues pruned to eliminate duplicates Z: 22 28.021 2.122 0.864 0.786 0.905 0.667 CB 1.329 22 residues pruned to eliminate duplicates Z: 20 35.527 2.288 0.840 0.821 1.000 0.632 CB 1.466 20 residues pruned to eliminate duplicates Z: 19 30.758 2.342 0.611 0.847 0.944 0.722 CB 1.511 19 residues pruned to eliminate duplicates Z: 20 31.878 2.292 0.673 0.832 0.947 0.842 CB 1.511 20 residues pruned to eliminate duplicates Z: 20 31.627 2.280 0.590 0.809 1.000 0.789 CB 1.529 20 residues pruned to eliminate duplicates Z: 22 26.557 2.186 0.617 0.749 0.905 0.762 CB 1.452 22 residues pruned to eliminate duplicates Z: 21 37.845 2.225 1.000 0.791 0.950 0.750 CA 1.550 21 residues pruned to eliminate duplicates Z: 20 36.521 2.311 0.731 0.836 1.000 0.789 CA 1.567 20 residues pruned to eliminate duplicates Z: 21 38.810 2.230 0.991 0.800 1.000 0.750 CB 1.503 21 residues pruned to eliminate duplicates Z: 20 35.792 2.294 0.839 0.798 1.000 0.684 CB 1.500 20 residues pruned to eliminate duplicates Z: 20 37.272 2.287 0.779 0.859 1.000 0.789 CB 1.547 20 residues pruned to eliminate duplicates Z: 24 30.887 2.105 0.862 0.728 0.870 0.522 CA 1.539 24 residues pruned to eliminate duplicates Z: 24 29.813 2.141 0.738 0.737 0.957 0.870 CB 1.412 24 residues pruned to eliminate duplicates Z: 25 34.855 2.136 0.954 0.758 0.958 0.833 CB 1.414 25 residues pruned to eliminate duplicates Z: 25 29.417 2.124 0.725 0.702 0.958 0.583 CB 1.423 25 residues pruned to eliminate duplicates Z: 24 34.433 2.146 0.966 0.771 1.000 0.565 CB 1.339 24 residues pruned to eliminate duplicates Z: 20 37.711 2.275 1.063 0.823 0.947 0.684 CB 1.471 20 residues pruned to eliminate duplicates Z: 20 36.980 2.284 0.902 0.841 1.000 0.632 CB 1.456 20 residues pruned to eliminate duplicates 383 residues left after pruning, divided into chains as follows: A: 190 B: 193 CC for partial structure against native data = 38.48 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.397, Connect. = 0.706 for dens.mod. cycle 1 = 0.304, Contrast = 0.450, Connect. = 0.729 for dens.mod. cycle 2 = 0.306, Contrast = 0.564, Connect. = 0.771 for dens.mod. cycle 3 = 0.305, Contrast = 0.562, Connect. = 0.771 for dens.mod. cycle 4 = 0.306, Contrast = 0.580, Connect. = 0.773 for dens.mod. cycle 5 = 0.306, Contrast = 0.583, Connect. = 0.774 for dens.mod. cycle 6 = 0.306, Contrast = 0.592, Connect. = 0.776 for dens.mod. cycle 7 = 0.306, Contrast = 0.595, Connect. = 0.777 for dens.mod. cycle 8 TimeTaking 190.4