null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:44:26 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: ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.ins Phases from ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.phi Native data from ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.hkl Listing output to ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.lst Phases output to ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.phs Poly-Ala trace output to ./2hr2-2.5-parrot-noncs/2hr2-2.5-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 21 21 21 Allowed origin shift code: 4 47715 Reflections read from file ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.phi 47715 Reflections read from file ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.hkl 47715 Unique data, highest resolution = 2.540 Angstroms Anisotropic scaling: intensities multiplied by -0.000527h^2 +0.000370k^2 +0.000072l^2 +0.000000kl +0.000000hl +0.000000hk 410 Reflections with d > 2.740 and 0 in range 2.740 > d > 2.540 added Density sharpening factor set to 0.00 Fourier grid = 128 x 128 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.649 ** -f missing ?? ** = 0.261, Contrast = 0.210, Connect. = 0.572 for dens.mod. cycle 1 = 0.282, Contrast = 0.409, Connect. = 0.606 for dens.mod. cycle 2 = 0.298, Contrast = 0.640, Connect. = 0.699 for dens.mod. cycle 3 = 0.300, Contrast = 0.753, Connect. = 0.728 for dens.mod. cycle 4 = 0.300, Contrast = 0.819, Connect. = 0.744 for dens.mod. cycle 5 = 0.300, Contrast = 0.856, Connect. = 0.753 for dens.mod. cycle 6 = 0.300, Contrast = 0.874, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.883, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.887, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.889, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3033 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 745 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 23.843 1.792 0.778 0.912 1.000 0.818 CB 1.130 B: 15 16.824 1.744 0.859 0.898 0.929 0.714 CB 1.068 C: 24 22.287 1.718 1.067 0.888 0.957 0.783 CB 0.986 D: 23 18.288 1.727 0.660 0.868 0.864 0.682 CB 1.152 23 residues pruned to eliminate duplicates E: 20 17.935 1.836 0.919 0.903 1.000 0.789 CB 0.833 F: 16 15.572 1.814 0.701 0.870 0.933 0.867 CB 1.019 16 residues pruned to eliminate duplicates G: 18 16.571 1.617 0.725 0.887 1.000 0.706 CB 1.039 H: 20 22.634 1.770 0.962 0.911 1.000 0.579 CB 1.059 19 residues pruned to eliminate duplicates I: 23 24.363 1.738 0.967 0.846 0.909 0.682 CB 1.242 J: 20 18.674 1.815 0.617 0.852 0.895 0.789 CB 1.207 K: 15 10.916 1.633 0.917 0.868 0.929 0.857 CB 0.733 L: 22 20.835 1.760 0.871 0.900 0.905 0.667 CB 1.090 M: 8 9.854 1.881 0.513 0.895 1.000 0.857 CB 0.938 N: 15 20.382 1.755 0.816 0.892 0.929 0.857 CB 1.322 O: 14 24.656 1.824 1.074 0.922 1.000 0.846 CB 1.271 14 residues pruned to eliminate duplicates P: 17 14.941 1.767 0.491 0.883 0.938 0.750 CB 1.093 Q: 8 8.069 1.944 0.653 0.857 1.000 0.857 CB 0.699 8 residues pruned to eliminate duplicates R: 22 22.308 1.817 0.688 0.921 1.000 0.857 CB 1.118 22 residues pruned to eliminate duplicates S: 6 6.841 1.833 0.915 0.849 0.800 0.800 CB 0.808 6 residues pruned to eliminate duplicates T: 14 16.406 1.706 0.787 0.810 0.923 0.692 CB 1.234 U: 9 13.842 1.787 1.054 0.819 0.875 0.625 N 1.156 9 residues pruned to eliminate duplicates V: 19 26.107 1.920 0.802 0.885 1.000 0.722 CB 1.284 20 residues pruned to eliminate duplicates W: 18 14.937 1.813 0.601 0.795 0.882 0.706 CB 1.092 X: 18 20.851 1.832 0.909 0.851 0.882 0.471 CB 1.213 18 residues pruned to eliminate duplicates Y: 18 13.300 1.774 1.092 0.905 0.882 0.647 CB 0.701 18 residues pruned to eliminate duplicates Z: 16 19.426 1.736 0.673 0.889 0.933 0.733 CB 1.332 15 residues pruned to eliminate duplicates Z: 12 6.567 1.569 0.291 0.369 0.909 0.273 CB 1.237 Z: 20 24.239 1.746 0.793 0.911 1.000 0.895 CB 1.258 Z: 15 17.465 1.781 0.711 0.876 1.000 0.643 CB 1.113 Z: 17 16.775 1.566 0.658 0.849 0.938 0.938 O 1.277 Z: 19 21.708 1.889 0.688 0.902 1.000 0.944 CB 1.145 19 residues pruned to eliminate duplicates Z: 16 15.336 1.740 0.954 0.914 0.933 0.733 CB 0.883 16 residues pruned to eliminate duplicates Z: 17 21.585 1.760 0.838 0.861 1.000 0.812 CB 1.226 Z: 13 8.288 1.693 0.764 0.650 0.833 0.583 CB 0.836 8 residues pruned to eliminate duplicates Z: 17 19.379 1.691 0.876 0.927 1.000 0.875 CB 1.071 17 residues pruned to eliminate duplicates Z: 20 21.298 1.787 0.842 0.860 0.895 0.842 CB 1.220 Z: 20 19.618 1.783 0.656 0.899 0.895 0.895 CB 1.218 20 residues pruned to eliminate duplicates Z: 26 17.594 1.645 0.863 0.828 0.880 0.600 CB 0.983 24 residues pruned to eliminate duplicates Z: 13 19.783 1.904 0.824 0.916 1.000 0.833 CB 1.161 14 residues pruned to eliminate duplicates Z: 13 15.312 1.650 0.669 0.840 0.917 0.750 O 1.307 13 residues pruned to eliminate duplicates Z: 8 11.708 1.843 0.979 0.853 1.000 0.571 CB 0.897 Z: 22 23.882 1.753 0.781 0.893 0.952 0.857 CB 1.258 20 residues pruned to eliminate duplicates Z: 11 13.975 1.817 0.753 0.911 1.000 0.800 CB 0.984 Z: 21 28.868 1.788 0.953 0.889 1.000 0.850 CB 1.331 Z: 20 22.559 1.803 1.004 0.906 0.895 0.684 CB 1.139 20 residues pruned to eliminate duplicates Z: 19 19.900 1.822 0.794 0.820 0.944 0.722 CB 1.151 19 residues pruned to eliminate duplicates Z: 21 14.455 1.733 0.714 0.828 0.900 0.650 CB 0.910 21 residues pruned to eliminate duplicates Z: 12 23.900 1.852 1.020 0.932 1.000 1.000 N 1.345 12 residues pruned to eliminate duplicates Z: 16 18.759 1.739 1.077 0.914 0.933 0.600 CB 1.016 13 residues pruned to eliminate duplicates Z: 15 18.905 1.765 0.737 0.861 1.000 0.929 O 1.211 15 residues pruned to eliminate duplicates Z: 20 23.002 1.781 1.077 0.889 0.895 0.737 CB 1.148 20 residues pruned to eliminate duplicates Z: 17 18.288 1.687 0.829 0.882 0.875 0.688 CB 1.226 16 residues pruned to eliminate duplicates Z: 11 5.989 1.709 0.462 0.463 0.700 0.400 CB 1.125 Z: 17 17.808 1.924 0.538 0.924 1.000 0.938 CB 1.057 17 residues pruned to eliminate duplicates Z: 19 14.952 1.630 0.809 0.846 0.833 0.556 CB 1.065 19 residues pruned to eliminate duplicates Z: 7 8.241 1.702 1.188 0.846 1.000 0.667 CB 0.671 6 residues pruned to eliminate duplicates Z: 21 19.885 1.778 0.783 0.851 0.900 0.800 CB 1.154 21 residues pruned to eliminate duplicates Z: 17 14.018 1.768 0.231 0.924 1.000 0.938 CB 1.131 16 residues pruned to eliminate duplicates Z: 19 18.241 1.793 1.089 0.933 1.000 0.722 CB 0.801 Z: 12 10.029 1.669 0.801 0.860 0.818 0.364 CB 0.904 Z: 19 20.607 1.784 0.555 0.892 1.000 0.889 CB 1.258 Z: 19 18.066 1.883 0.717 0.886 0.944 0.778 CB 1.006 19 residues pruned to eliminate duplicates Z: 23 20.621 1.663 0.741 0.859 0.909 0.455 CB 1.228 23 residues pruned to eliminate duplicates Z: 21 21.755 1.716 0.677 0.894 0.950 0.800 CB 1.276 16 residues pruned to eliminate duplicates Z: 21 21.772 1.866 0.757 0.902 0.900 0.800 CB 1.177 17 residues pruned to eliminate duplicates Z: 8 13.437 1.671 0.997 0.780 0.857 0.714 CB 1.388 8 residues pruned to eliminate duplicates 7 0.933 1.568 0.193 0.384 0.667 0.333 CB 0.346 ? Z: 18 21.513 1.833 0.580 0.891 1.000 0.824 CB 1.295 18 residues pruned to eliminate duplicates Z: 21 19.008 1.753 0.666 0.776 0.900 0.650 CB 1.266 21 residues pruned to eliminate duplicates Z: 20 28.114 1.795 0.910 0.907 1.000 0.895 CB 1.338 19 residues pruned to eliminate duplicates Z: 14 16.263 1.758 0.480 0.932 1.000 1.000 CB 1.211 Z: 10 2.395 1.608 0.221 0.287 0.667 0.556 CB 0.775 Z: 12 21.030 1.719 0.868 0.872 1.000 0.727 O 1.440 Z: 19 13.445 1.672 0.396 0.843 0.944 0.778 CB 1.070 19 residues pruned to eliminate duplicates Z: 18 20.793 1.839 0.671 0.891 1.000 0.882 CB 1.180 18 residues pruned to eliminate duplicates Z: 23 26.435 1.720 0.862 0.909 0.955 0.909 CB 1.308 23 residues pruned to eliminate duplicates Z: 11 12.255 1.661 0.235 0.833 1.000 0.900 O 1.416 11 residues pruned to eliminate duplicates Z: 23 24.122 1.682 0.980 0.879 0.864 0.727 CB 1.296 23 residues pruned to eliminate duplicates Z: 18 26.141 1.903 0.818 0.897 1.000 0.706 CB 1.313 19 residues pruned to eliminate duplicates Z: 17 15.179 1.767 0.425 0.888 1.000 0.875 CB 1.085 Z: 15 14.789 1.910 0.698 0.915 1.000 0.929 CB 0.861 26 residues pruned to eliminate duplicates Z: 10 13.214 1.811 0.434 0.831 1.000 0.667 O 1.275 10 residues pruned to eliminate duplicates Z: 18 16.071 1.698 0.545 0.849 0.941 0.824 CB 1.170 Z: 24 24.055 1.736 0.767 0.872 0.957 0.783 CB 1.246 24 residues pruned to eliminate duplicates Z: 16 24.823 1.836 1.019 0.910 1.000 0.800 CB 1.227 15 residues pruned to eliminate duplicates Z: 19 19.461 1.768 0.659 0.874 0.944 0.722 CB 1.204 19 residues pruned to eliminate duplicates Z: 22 19.440 1.667 1.051 0.824 0.905 0.381 CB 1.036 22 residues pruned to eliminate duplicates Z: 11 17.065 1.716 1.152 0.890 0.900 0.700 CB 1.168 11 residues pruned to eliminate duplicates Z: 19 23.752 1.744 0.907 0.895 1.000 0.611 CB 1.207 19 residues pruned to eliminate duplicates Z: 19 24.808 1.792 0.920 0.918 0.944 0.944 CB 1.269 19 residues pruned to eliminate duplicates 6 1.756 1.484 0.336 0.543 1.000 0.600 CB 0.380 ? Z: 18 17.648 1.755 0.820 0.894 0.882 0.765 CB 1.089 13 residues pruned to eliminate duplicates Z: 13 12.061 1.745 0.535 0.864 0.833 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 6 5.247 1.668 1.033 0.878 1.000 0.800 CB 0.502 Z: 16 9.946 1.574 0.420 0.822 0.933 0.667 CB 0.931 Z: 17 14.886 1.755 0.389 0.876 0.875 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 7 7.762 1.777 0.206 0.785 1.000 0.500 CB 1.151 7 residues pruned to eliminate duplicates Z: 15 16.467 1.740 0.516 0.866 1.000 0.857 CB 1.222 14 residues pruned to eliminate duplicates Z: 19 20.327 1.784 0.599 0.931 0.944 0.889 CB 1.243 19 residues pruned to eliminate duplicates Z: 14 10.995 1.614 0.700 0.889 1.000 0.923 CB 0.800 14 residues pruned to eliminate duplicates Z: 12 20.293 1.779 0.975 0.892 0.909 0.636 CB 1.376 12 residues pruned to eliminate duplicates Z: 14 21.505 1.804 0.970 0.918 1.000 0.692 CB 1.184 14 residues pruned to eliminate duplicates Z: 12 12.440 1.621 0.298 0.912 1.000 0.818 CB 1.263 Z: 14 11.369 1.733 0.755 0.722 0.923 0.615 CB 0.919 14 residues pruned to eliminate duplicates Z: 18 14.436 1.696 0.692 0.814 0.824 0.588 CB 1.128 Z: 12 20.763 1.856 0.829 0.877 1.000 0.636 CB 1.339 12 residues pruned to eliminate duplicates Z: 14 21.017 1.662 0.886 0.913 1.000 1.000 CB 1.316 12 residues pruned to eliminate duplicates Z: 23 19.056 1.705 0.877 0.930 0.909 0.682 CB 0.977 23 residues pruned to eliminate duplicates Z: 24 10.185 1.725 0.359 0.408 0.739 0.391 CB 1.350 24 residues pruned to eliminate duplicates Z: 9 10.720 1.736 0.591 0.797 1.000 0.625 CB 1.058 9 residues pruned to eliminate duplicates Z: 18 18.059 1.618 0.811 0.909 0.941 0.706 CB 1.127 17 residues pruned to eliminate duplicates Z: 23 19.598 1.816 0.705 0.856 0.909 0.727 CB 1.096 23 residues pruned to eliminate duplicates Z: 15 13.568 1.835 0.901 0.859 0.714 0.429 CB 1.071 15 residues pruned to eliminate duplicates Z: 15 20.623 1.760 0.577 0.909 1.000 0.929 O 1.410 17 residues pruned to eliminate duplicates Z: 19 22.227 1.864 0.651 0.897 0.944 0.833 CB 1.290 19 residues pruned to eliminate duplicates Z: 18 16.385 1.620 0.504 0.818 1.000 0.647 CB 1.237 19 residues pruned to eliminate duplicates Z: 16 14.209 1.777 0.763 0.609 0.867 0.533 CB 1.218 16 residues pruned to eliminate duplicates Z: 11 9.603 1.640 0.945 0.703 0.700 0.400 CB 1.130 Z: 11 21.791 1.949 1.063 0.874 0.900 0.900 CB 1.385 11 residues pruned to eliminate duplicates Z: 19 12.685 1.649 0.651 0.833 0.778 0.556 CB 1.059 11 residues pruned to eliminate duplicates Z: 18 4.319 1.566 0.706 0.248 0.647 0.235 CB 0.810 Z: 17 16.521 1.725 0.658 0.862 0.875 0.688 CB 1.212 14 residues pruned to eliminate duplicates 7 1.212 1.805 0.764 0.767 0.833 0.667 CB 0.147 ? Z: 18 16.582 1.898 0.661 0.899 0.941 0.824 CB 0.969 18 residues pruned to eliminate duplicates Z: 14 17.986 1.710 0.585 0.859 1.000 0.615 CB 1.354 13 residues pruned to eliminate duplicates Z: 23 16.233 1.759 0.919 0.764 0.955 0.591 CB 0.850 21 residues pruned to eliminate duplicates Z: 19 10.638 1.668 0.602 0.899 0.944 0.778 CB 0.710 19 residues pruned to eliminate duplicates Z: 17 13.713 1.632 0.880 0.823 0.938 0.625 CB 0.900 Z: 15 12.295 1.740 0.858 0.748 0.857 0.786 CB 0.950 15 residues pruned to eliminate duplicates Z: 17 6.139 1.533 0.478 0.367 0.812 0.438 CB 0.961 6 residues pruned to eliminate duplicates Z: 10 4.430 1.485 0.535 0.460 0.667 0.222 CB 1.013 Z: 15 11.547 1.627 0.566 0.889 0.929 0.857 CB 0.939 16 residues pruned to eliminate duplicates Z: 22 16.496 1.686 0.604 0.856 0.952 0.857 CB 1.031 Z: 14 11.276 1.754 0.351 0.917 0.923 0.923 CB 1.008 Z: 9 2.274 1.573 0.796 0.572 0.625 0.500 CB 0.425 Z: 14 13.476 1.557 0.452 0.915 1.000 0.846 CB 1.169 12 residues pruned to eliminate duplicates Z: 11 13.454 1.750 0.473 0.919 1.000 0.900 CB 1.163 11 residues pruned to eliminate duplicates Z: 12 15.559 1.838 0.738 0.898 1.000 0.818 CB 1.051 15 residues pruned to eliminate duplicates Z: 17 19.003 1.766 0.492 0.916 1.000 1.000 CB 1.273 18 residues pruned to eliminate duplicates Z: 17 20.423 1.735 0.708 0.899 1.000 0.875 CB 1.231 Z: 15 20.065 1.747 0.719 0.868 0.929 0.786 CB 1.406 15 residues pruned to eliminate duplicates Z: 15 12.360 1.490 0.570 0.909 1.000 0.786 CB 1.002 15 residues pruned to eliminate duplicates Z: 9 5.552 1.654 0.738 0.425 0.875 0.500 CB 0.843 Z: 11 12.031 1.821 0.688 0.810 1.000 0.700 CB 0.944 12 residues pruned to eliminate duplicates Z: 6 6.501 1.672 0.871 0.565 0.800 0.800 CB 1.091 Z: 17 17.657 1.802 1.176 0.910 0.875 0.562 CB 0.913 17 residues pruned to eliminate duplicates Z: 16 14.460 1.701 0.912 0.906 1.000 0.733 CB 0.817 9 residues pruned to eliminate duplicates Z: 17 18.513 1.646 1.024 0.893 1.000 0.812 CB 0.997 14 residues pruned to eliminate duplicates Z: 10 13.566 1.616 0.574 0.862 1.000 0.889 CB 1.305 10 residues pruned to eliminate duplicates Z: 8 2.080 1.301 0.369 0.352 0.571 0.429 N 0.908 8 residues pruned to eliminate duplicates Z: 17 12.410 1.738 0.340 0.855 1.000 0.875 CB 0.983 14 residues pruned to eliminate duplicates Z: 9 14.692 1.628 0.766 0.885 1.000 0.875 O 1.305 Z: 11 12.374 1.675 0.464 0.853 0.900 0.800 CB 1.310 11 residues pruned to eliminate duplicates Z: 14 13.795 1.741 0.564 0.839 0.923 0.769 CB 1.138 14 residues pruned to eliminate duplicates Z: 15 15.919 1.757 0.748 0.848 0.929 0.786 CB 1.107 14 residues pruned to eliminate duplicates Z: 12 15.469 1.824 0.711 0.846 1.000 0.909 CB 1.110 12 residues pruned to eliminate duplicates Z: 20 17.179 1.820 0.874 0.924 0.947 0.789 CB 0.857 20 residues pruned to eliminate duplicates Z: 15 16.004 1.747 0.634 0.793 0.929 0.571 CB 1.247 14 residues pruned to eliminate duplicates Z: 16 18.553 1.594 0.957 0.854 1.000 0.667 O 1.134 15 residues pruned to eliminate duplicates Z: 10 11.530 1.625 1.087 0.850 0.778 0.222 CB 1.079 10 residues pruned to eliminate duplicates Z: 16 16.008 1.771 1.007 0.917 1.000 0.867 CB 0.820 27 residues pruned to eliminate duplicates Z: 18 13.453 1.742 0.525 0.875 0.882 0.706 CB 1.012 18 residues pruned to eliminate duplicates Z: 15 19.224 1.746 0.587 0.860 1.000 0.786 CB 1.364 15 residues pruned to eliminate duplicates Z: 19 22.606 1.725 0.798 0.912 1.000 0.778 CB 1.217 18 residues pruned to eliminate duplicates 6 1.089 1.549 0.091 0.106 0.800 0.400 CB 0.594 ? Z: 8 3.812 1.590 0.611 0.280 0.714 0.714 CB 1.009 Z: 6 3.616 1.588 0.242 0.479 0.800 0.400 C 1.048 Z: 7 5.016 1.807 0.527 0.830 1.000 0.833 CB 0.558 Z: 16 17.120 1.700 0.818 0.876 0.933 0.800 CB 1.114 13 residues pruned to eliminate duplicates Z: 13 15.871 1.788 0.736 0.819 1.000 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 18 19.530 1.792 1.066 0.894 1.000 0.882 CB 0.917 18 residues pruned to eliminate duplicates Z: 18 18.248 1.786 0.753 0.862 0.882 0.412 CB 1.176 18 residues pruned to eliminate duplicates Z: 17 16.530 1.683 0.759 0.919 0.812 0.562 CB 1.211 17 residues pruned to eliminate duplicates Z: 18 25.556 1.778 0.934 0.897 0.941 0.824 CB 1.371 17 residues pruned to eliminate duplicates Z: 22 21.623 1.806 0.845 0.874 0.905 0.762 CB 1.139 22 residues pruned to eliminate duplicates Z: 6 4.001 1.464 0.296 0.466 0.800 0.600 O 1.221 Z: 11 12.517 1.591 0.628 0.808 0.900 0.800 CB 1.299 11 residues pruned to eliminate duplicates Z: 13 20.772 1.906 1.092 0.854 0.917 0.583 CB 1.212 13 residues pruned to eliminate duplicates Z: 15 20.500 1.798 0.676 0.893 1.000 0.786 CB 1.305 17 residues pruned to eliminate duplicates Z: 10 9.475 1.668 1.073 0.839 0.778 0.667 CB 0.877 9 residues pruned to eliminate duplicates Z: 8 3.056 1.391 0.629 0.322 0.571 0.286 O 1.086 Z: 17 16.875 1.792 0.471 0.889 0.938 0.875 CB 1.229 17 residues pruned to eliminate duplicates Z: 19 20.445 1.837 0.832 0.812 0.944 0.611 CB 1.155 18 residues pruned to eliminate duplicates Z: 6 5.402 1.638 0.521 0.554 0.800 0.600 CB 1.149 Z: 19 16.264 1.663 0.595 0.885 1.000 0.722 CB 1.044 19 residues pruned to eliminate duplicates Z: 8 8.844 1.716 0.821 0.428 1.000 0.429 CB 1.153 Z: 6 2.962 1.336 0.742 0.473 0.800 0.600 N 0.731 Z: 14 17.377 1.783 0.592 0.883 1.000 0.692 CB 1.228 14 residues pruned to eliminate duplicates Z: 23 15.878 1.682 0.757 0.864 0.818 0.636 CB 1.026 23 residues pruned to eliminate duplicates Z: 7 3.474 1.339 0.193 0.683 0.667 0.500 O 1.126 7 residues pruned to eliminate duplicates Z: 10 7.916 1.842 1.050 0.899 1.000 0.333 CB 0.499 10 residues pruned to eliminate duplicates Z: 13 7.269 1.470 0.560 0.455 0.833 0.333 N 1.150 13 residues pruned to eliminate duplicates Z: 7 8.963 1.713 0.631 0.858 1.000 0.833 CB 0.964 7 residues pruned to eliminate duplicates Z: 17 14.931 1.797 0.311 0.859 0.938 0.750 CB 1.243 16 residues pruned to eliminate duplicates Z: 15 10.796 1.667 0.767 0.896 1.000 0.929 CB 0.702 Z: 12 19.627 1.870 0.883 0.855 1.000 0.727 CB 1.240 12 residues pruned to eliminate duplicates Z: 14 12.164 1.801 0.990 0.767 0.769 0.538 CB 0.966 14 residues pruned to eliminate duplicates Z: 15 16.755 1.677 1.091 0.871 0.857 0.571 CB 1.087 15 residues pruned to eliminate duplicates Z: 6 2.550 1.364 -0.025 0.668 0.800 0.600 N 0.918 Z: 16 13.520 1.525 0.496 0.921 1.000 0.867 CB 1.077 14 residues pruned to eliminate duplicates Z: 17 12.317 1.633 0.472 0.839 0.938 0.750 CB 1.020 17 residues pruned to eliminate duplicates Z: 20 13.670 1.614 0.312 0.682 1.000 0.737 CB 1.252 20 residues pruned to eliminate duplicates Z: 9 7.472 1.682 0.894 0.851 0.750 0.625 CB 0.818 9 residues pruned to eliminate duplicates Z: 21 18.501 1.775 0.608 0.789 0.950 0.550 CB 1.184 21 residues pruned to eliminate duplicates Z: 15 21.625 1.793 0.705 0.890 1.000 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 6 3.791 1.620 0.717 0.879 1.000 1.000 CB 0.442 6 residues pruned to eliminate duplicates Z: 21 20.346 1.795 0.803 0.818 0.900 0.750 CB 1.185 21 residues pruned to eliminate duplicates Z: 14 17.047 1.676 0.509 0.893 1.000 0.923 CB 1.341 14 residues pruned to eliminate duplicates Z: 12 13.743 1.685 0.551 0.880 1.000 1.000 CB 1.149 12 residues pruned to eliminate duplicates Z: 16 11.127 1.537 0.798 0.876 1.000 0.733 CB 0.755 16 residues pruned to eliminate duplicates Z: 16 11.465 1.670 0.415 0.893 0.933 0.733 CB 0.964 14 residues pruned to eliminate duplicates Z: 20 20.652 1.777 0.789 0.930 1.000 0.895 CB 1.043 20 residues pruned to eliminate duplicates Z: 7 3.431 1.720 0.482 0.664 0.833 0.667 CB 0.566 Z: 11 2.403 1.440 0.182 0.282 0.600 0.200 CB 0.951 Z: 9 5.002 1.561 0.424 0.484 0.875 0.375 N 0.924 Z: 12 14.774 1.710 0.648 0.866 1.000 0.727 CB 1.157 12 residues pruned to eliminate duplicates Z: 16 11.043 1.887 0.408 0.908 0.933 0.933 CB 0.817 16 residues pruned to eliminate duplicates Z: 8 2.364 1.497 0.538 0.134 0.714 0.286 N 0.858 Z: 15 10.227 1.643 0.477 0.803 0.929 0.571 CB 0.931 16 residues pruned to eliminate duplicates Z: 10 15.905 1.806 0.744 0.888 1.000 0.889 CB 1.213 10 residues pruned to eliminate duplicates Z: 8 7.824 1.816 0.735 0.892 1.000 0.429 CB 0.674 8 residues pruned to eliminate duplicates Z: 22 17.679 1.740 0.689 0.849 0.952 0.810 CB 1.022 23 residues pruned to eliminate duplicates Z: 18 13.350 1.593 0.513 0.822 0.882 0.765 CB 1.152 18 residues pruned to eliminate duplicates Z: 18 18.269 1.718 0.825 0.875 1.000 0.941 CB 1.028 18 residues pruned to eliminate duplicates Z: 15 18.981 1.650 0.772 0.919 1.000 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 10 13.023 1.888 0.581 0.891 1.000 0.889 CB 1.045 10 residues pruned to eliminate duplicates Z: 7 10.169 1.694 1.276 0.872 1.000 0.833 CB 0.785 Z: 18 12.608 1.608 0.597 0.778 1.000 0.353 CB 0.932 12 residues pruned to eliminate duplicates Z: 7 3.269 1.501 0.007 0.545 0.833 0.333 CB 1.015 Z: 17 13.171 1.649 0.704 0.848 0.938 0.750 CB 0.927 Z: 9 8.107 1.538 0.843 0.803 1.000 0.750 CB 0.776 8 residues pruned to eliminate duplicates Z: 14 12.447 1.683 0.284 0.873 1.000 0.846 CB 1.163 15 residues pruned to eliminate duplicates Z: 15 17.657 1.720 0.654 0.890 1.000 0.714 CB 1.193 15 residues pruned to eliminate duplicates Z: 22 21.292 1.785 0.853 0.874 0.952 0.619 CB 1.074 22 residues pruned to eliminate duplicates Z: 20 18.835 1.631 0.908 0.852 1.000 0.632 CB 1.027 12 residues pruned to eliminate duplicates 6 0.702 1.536 0.174 0.300 0.800 0.400 CB 0.272 ? Z: 7 3.374 1.442 0.127 0.426 0.833 0.667 N 1.099 7 residues pruned to eliminate duplicates Z: 6 2.990 1.565 0.274 0.638 0.800 0.600 CB 0.737 4 residues pruned to eliminate duplicates Z: 17 17.952 1.753 0.941 0.897 0.938 0.812 CB 1.006 17 residues pruned to eliminate duplicates Z: 8 2.646 1.541 -0.035 0.640 0.857 0.714 CB 0.688 Z: 20 13.670 1.480 0.547 0.923 1.000 0.895 O 0.963 18 residues pruned to eliminate duplicates Z: 7 3.294 1.553 0.596 0.339 0.667 0.500 N 0.970 Z: 10 2.993 1.580 0.366 0.159 0.667 0.333 CB 1.052 Z: 15 9.905 1.732 0.316 0.756 0.929 0.714 CB 0.996 16 residues pruned to eliminate duplicates Z: 18 15.067 1.708 0.571 0.892 0.941 0.706 CB 1.040 17 residues pruned to eliminate duplicates Z: 9 4.150 1.547 0.528 0.304 0.750 0.375 CB 1.030 Z: 8 2.338 1.418 0.313 0.315 0.714 0.571 N 0.815 Z: 13 10.334 1.763 0.626 0.893 0.917 0.833 CB 0.815 13 residues pruned to eliminate duplicates Z: 7 8.135 1.604 0.998 0.747 1.000 0.833 CB 0.831 Z: 25 16.562 1.795 0.774 0.693 0.792 0.667 CB 1.124 26 residues pruned to eliminate duplicates 6 1.796 1.289 0.400 0.805 0.400 0.400 CB 0.853 ? Z: 21 16.036 1.668 0.829 0.855 0.900 0.550 CB 0.964 21 residues pruned to eliminate duplicates Z: 12 10.403 1.636 0.459 0.873 1.000 0.727 CB 0.958 12 residues pruned to eliminate duplicates Z: 14 6.061 1.598 0.757 0.407 0.615 0.385 CB 1.074 14 residues pruned to eliminate duplicates Z: 18 10.739 1.447 0.417 0.853 1.000 0.765 CB 0.939 15 residues pruned to eliminate duplicates Z: 13 12.234 1.583 0.634 0.857 0.917 0.833 CB 1.098 13 residues pruned to eliminate duplicates Z: 15 19.159 1.759 0.528 0.908 1.000 0.929 O 1.353 15 residues pruned to eliminate duplicates Z: 8 2.300 1.521 0.819 0.356 0.857 0.429 CB 0.428 Z: 17 19.122 1.790 0.508 0.831 1.000 0.750 CB 1.331 18 residues pruned to eliminate duplicates Z: 19 18.817 1.743 0.754 0.838 1.000 0.722 CB 1.084 18 residues pruned to eliminate duplicates Z: 10 4.867 1.609 0.562 0.862 1.000 0.889 CB 0.474 10 residues pruned to eliminate duplicates Z: 12 3.277 1.395 0.241 0.710 0.909 0.545 CB 0.519 12 residues pruned to eliminate duplicates Z: 9 9.110 1.797 0.944 0.880 1.000 0.750 CB 0.668 9 residues pruned to eliminate duplicates Z: 12 9.768 1.594 0.665 0.869 1.000 0.818 CB 0.811 12 residues pruned to eliminate duplicates Z: 14 6.878 1.551 0.523 0.789 0.923 0.538 CB 0.678 12 residues pruned to eliminate duplicates Z: 15 18.875 1.780 0.570 0.928 1.000 0.929 CB 1.264 15 residues pruned to eliminate duplicates Z: 7 6.331 1.582 0.802 0.614 1.000 0.667 CB 0.814 7 residues pruned to eliminate duplicates Z: 6 2.501 1.365 0.593 0.574 0.600 0.400 CB 0.798 Z: 9 2.406 1.448 0.152 0.281 0.875 0.500 CB 0.747 Z: 8 7.953 1.466 0.668 0.905 1.000 0.857 O 0.875 Z: 17 16.470 1.792 0.701 0.936 1.000 0.938 CB 0.941 17 residues pruned to eliminate duplicates Z: 18 23.620 1.820 0.716 0.931 1.000 0.824 CB 1.281 18 residues pruned to eliminate duplicates Z: 15 10.598 1.624 0.329 0.911 1.000 0.929 CB 0.931 Z: 17 19.578 1.718 0.563 0.878 1.000 0.812 CB 1.323 17 residues pruned to eliminate duplicates Z: 13 11.839 1.738 0.489 0.904 1.000 0.833 CB 0.940 13 residues pruned to eliminate duplicates Z: 15 16.616 1.768 0.377 0.918 1.000 0.929 CB 1.287 15 residues pruned to eliminate duplicates Z: 9 12.118 1.825 0.893 0.867 1.000 0.750 CB 0.907 10 residues pruned to eliminate duplicates Z: 7 4.389 1.517 0.690 0.363 0.833 0.500 N 0.972 Z: 10 3.414 1.428 0.452 0.336 0.667 0.333 CB 0.985 10 residues pruned to eliminate duplicates Z: 18 22.092 1.792 0.781 0.917 1.000 0.882 CB 1.185 21 residues pruned to eliminate duplicates Z: 16 10.016 1.617 0.728 0.814 0.667 0.600 CB 1.056 16 residues pruned to eliminate duplicates Z: 16 10.901 1.757 0.837 0.707 0.867 0.667 CB 0.834 16 residues pruned to eliminate duplicates Z: 6 2.817 1.757 -0.025 0.450 0.800 0.400 CB 0.967 Z: 13 16.198 1.933 0.587 0.884 0.917 0.750 CB 1.202 13 residues pruned to eliminate duplicates Z: 13 14.537 1.611 0.964 0.882 0.833 0.333 N 1.151 12 residues pruned to eliminate duplicates Z: 11 6.373 1.645 0.628 0.628 0.800 0.700 CB 0.834 11 residues pruned to eliminate duplicates Z: 7 4.457 1.546 0.748 0.543 0.667 0.333 CB 0.968 7 residues pruned to eliminate duplicates Z: 16 16.808 1.716 1.185 0.905 0.933 0.533 CB 0.883 12 residues pruned to eliminate duplicates Z: 16 15.420 1.692 0.596 0.842 0.933 0.600 CB 1.177 16 residues pruned to eliminate duplicates Z: 16 15.435 1.773 0.497 0.921 1.000 0.867 CB 1.057 16 residues pruned to eliminate duplicates Z: 21 10.827 1.684 0.814 0.587 0.800 0.450 CB 0.911 21 residues pruned to eliminate duplicates Z: 6 3.552 1.604 0.546 0.297 0.800 0.400 CB 1.004 6 residues pruned to eliminate duplicates Z: 15 24.134 1.870 0.976 0.861 1.000 0.714 CB 1.283 15 residues pruned to eliminate duplicates Z: 22 24.432 1.753 0.960 0.851 0.952 0.810 CB 1.206 22 residues pruned to eliminate duplicates Z: 14 7.524 1.571 0.783 0.403 0.769 0.538 CB 1.073 Z: 8 3.834 1.377 0.370 0.504 1.000 0.571 CB 0.765 Z: 8 4.543 1.599 0.480 0.552 0.857 0.571 CB 0.804 Z: 16 11.900 1.558 0.348 0.875 1.000 0.800 CB 1.064 18 residues pruned to eliminate duplicates Z: 17 15.292 1.599 0.761 0.877 1.000 0.875 CB 0.986 19 residues pruned to eliminate duplicates Z: 17 10.831 1.606 0.704 0.770 0.812 0.500 CB 0.959 17 residues pruned to eliminate duplicates Z: 19 15.910 1.762 0.608 0.772 0.944 0.500 CB 1.102 17 residues pruned to eliminate duplicates Z: 13 13.320 1.602 0.889 0.879 0.917 0.583 CB 1.005 13 residues pruned to eliminate duplicates Z: 18 19.171 1.757 0.501 0.877 1.000 0.765 CB 1.281 18 residues pruned to eliminate duplicates Z: 17 16.093 1.713 0.532 0.876 1.000 0.875 CB 1.114 17 residues pruned to eliminate duplicates Z: 7 2.804 1.361 0.045 0.224 1.000 0.500 N 1.112 Z: 8 9.716 1.666 0.696 0.763 1.000 0.714 CB 1.029 8 residues pruned to eliminate duplicates Z: 9 7.399 1.577 0.501 0.870 0.875 0.750 CB 0.922 9 residues pruned to eliminate duplicates Z: 11 5.330 1.536 0.563 0.823 0.900 0.600 CB 0.590 Z: 18 12.643 1.637 0.993 0.931 1.000 0.941 CB 0.657 15 residues pruned to eliminate duplicates Z: 9 7.601 1.664 0.983 0.892 0.875 0.625 CB 0.668 9 residues pruned to eliminate duplicates Z: 17 19.580 1.698 0.843 0.856 0.938 0.750 CB 1.230 17 residues pruned to eliminate duplicates Z: 15 12.227 1.603 0.843 0.855 0.786 0.286 CB 1.039 15 residues pruned to eliminate duplicates Z: 34 13.201 1.662 0.451 0.577 0.848 0.576 CB 1.042 34 residues pruned to eliminate duplicates Z: 15 8.457 1.570 0.486 0.776 0.786 0.500 CB 0.966 15 residues pruned to eliminate duplicates Z: 22 17.349 1.743 0.677 0.711 0.905 0.762 CB 1.182 22 residues pruned to eliminate duplicates Z: 12 10.746 1.668 0.606 0.871 0.909 0.545 CB 0.971 12 residues pruned to eliminate duplicates Z: 17 13.579 1.689 0.815 0.884 0.875 0.625 CB 0.915 17 residues pruned to eliminate duplicates Z: 12 10.941 1.663 0.454 0.896 1.000 1.000 CB 0.977 12 residues pruned to eliminate duplicates 8 1.852 1.242 0.620 0.162 0.857 0.429 O 0.613 ? 6 1.360 1.219 0.213 0.340 0.800 0.200 N 0.613 ? Z: 15 17.509 1.803 1.176 0.849 0.929 0.929 CB 0.953 15 residues pruned to eliminate duplicates Z: 6 2.140 1.685 0.483 0.775 0.800 0.600 CB 0.375 Z: 15 20.489 1.744 0.762 0.925 1.000 0.929 CB 1.251 15 residues pruned to eliminate duplicates Z: 10 4.176 1.538 0.142 0.901 1.000 0.889 CB 0.565 6 residues pruned to eliminate duplicates 8 1.120 1.125 0.888 0.212 0.571 0.429 N 0.489 ? Z: 8 13.092 1.729 0.909 0.888 1.000 0.857 CB 1.080 8 residues pruned to eliminate duplicates Z: 15 7.935 1.567 0.399 0.849 0.929 0.714 CB 0.772 15 residues pruned to eliminate duplicates Z: 14 13.889 1.675 0.859 0.873 0.923 0.769 CB 0.976 14 residues pruned to eliminate duplicates Z: 19 13.328 1.673 0.465 0.844 0.944 0.722 CB 1.010 19 residues pruned to eliminate duplicates Z: 16 13.347 1.765 0.666 0.898 1.000 0.867 CB 0.839 16 residues pruned to eliminate duplicates Z: 10 10.028 1.803 0.254 0.717 0.889 0.556 CB 1.367 10 residues pruned to eliminate duplicates Z: 7 5.040 1.551 0.559 0.500 0.833 0.500 N 1.021 7 residues pruned to eliminate duplicates Z: 13 25.841 1.949 0.858 0.889 1.000 0.917 CB 1.484 13 residues pruned to eliminate duplicates Z: 18 13.479 1.842 0.708 0.915 0.941 0.882 CB 0.780 18 residues pruned to eliminate duplicates Z: 10 10.488 1.637 0.826 0.926 1.000 1.000 CB 0.820 10 residues pruned to eliminate duplicates Z: 12 3.896 1.445 0.468 0.292 0.818 0.364 CB 0.854 Z: 19 14.071 1.642 0.948 0.827 0.778 0.444 N 1.005 19 residues pruned to eliminate duplicates Z: 6 2.274 1.510 0.108 0.574 1.000 0.600 CB 0.566 Z: 8 2.686 1.762 0.362 0.230 0.571 0.429 CB 1.014 Z: 7 3.554 1.557 0.539 0.538 0.667 0.333 CB 0.875 7 residues pruned to eliminate duplicates Z: 14 15.264 1.544 0.777 0.861 1.000 0.923 CB 1.133 Z: 12 7.686 1.531 0.871 0.858 0.818 0.364 CB 0.728 12 residues pruned to eliminate duplicates Z: 7 3.948 1.386 0.594 0.736 0.833 0.833 CB 0.708 6 residues pruned to eliminate duplicates Z: 16 12.983 1.521 0.459 0.863 1.000 0.733 CB 1.108 16 residues pruned to eliminate duplicates Z: 8 4.666 1.643 0.397 0.447 0.714 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 9 2.871 1.607 0.363 0.327 0.750 0.500 CB 0.747 Z: 11 8.770 1.563 0.553 0.806 0.800 0.700 O 1.093 11 residues pruned to eliminate duplicates Z: 21 31.113 1.793 0.985 0.894 1.000 0.900 CB 1.402 21 residues pruned to eliminate duplicates Z: 14 10.685 1.613 0.476 0.849 0.923 0.769 CB 1.000 14 residues pruned to eliminate duplicates Z: 9 7.661 1.539 1.030 0.897 1.000 0.750 CB 0.620 13 residues pruned to eliminate duplicates Z: 20 13.767 1.588 0.565 0.809 0.947 0.684 CB 1.024 20 residues pruned to eliminate duplicates Z: 9 6.664 1.433 0.626 0.747 1.000 0.375 CB 0.810 9 residues pruned to eliminate duplicates Z: 13 7.740 1.612 0.571 0.662 0.833 0.750 CB 0.911 13 residues pruned to eliminate duplicates Z: 11 12.591 1.699 1.026 0.743 0.900 0.200 CB 1.034 11 residues pruned to eliminate duplicates Z: 6 2.414 1.273 -0.183 0.611 1.000 0.600 CA 0.933 Z: 13 7.005 1.608 0.381 0.543 0.750 0.250 CB 1.164 13 residues pruned to eliminate duplicates Z: 7 2.516 1.357 0.417 0.234 0.667 0.333 O 1.092 7 residues pruned to eliminate duplicates 7 1.630 1.558 0.300 0.356 0.500 0.333 CB 0.767 ? Z: 12 16.371 1.589 0.844 0.897 1.000 0.818 CB 1.206 18 residues pruned to eliminate duplicates Z: 7 3.191 1.350 0.210 0.499 0.833 0.667 N 0.958 Z: 17 15.375 1.690 1.140 0.835 1.000 0.438 CB 0.796 17 residues pruned to eliminate duplicates Z: 15 10.669 1.558 0.881 0.889 0.929 0.500 CB 0.754 14 residues pruned to eliminate duplicates Z: 7 4.092 1.356 0.323 0.654 0.833 0.667 N 0.968 Z: 15 11.157 1.619 0.972 0.846 1.000 0.929 CB 0.694 15 residues pruned to eliminate duplicates Z: 20 12.446 1.605 0.663 0.553 0.895 0.526 CB 1.136 20 residues pruned to eliminate duplicates Z: 21 17.668 1.705 0.768 0.844 0.900 0.650 CB 1.084 21 residues pruned to eliminate duplicates Z: 14 13.927 1.725 0.502 0.843 1.000 0.692 CB 1.110 14 residues pruned to eliminate duplicates Z: 18 10.661 1.840 0.520 0.921 1.000 0.882 CB 0.650 18 residues pruned to eliminate duplicates Z: 17 15.334 1.684 0.507 0.889 1.000 0.688 CB 1.088 17 residues pruned to eliminate duplicates Z: 9 10.894 1.641 0.606 0.836 1.000 0.875 CB 1.093 9 residues pruned to eliminate duplicates Z: 13 9.624 1.631 0.214 0.818 0.917 0.667 O 1.161 13 residues pruned to eliminate duplicates Z: 10 13.698 1.694 0.660 0.807 0.889 0.556 CB 1.398 10 residues pruned to eliminate duplicates Z: 6 5.237 1.699 0.952 0.516 0.800 0.600 CB 0.869 Z: 8 5.651 1.558 0.324 0.790 1.000 0.857 CB 0.802 Z: 21 14.023 1.718 0.954 0.681 0.850 0.650 CB 0.931 21 residues pruned to eliminate duplicates Z: 13 17.971 1.750 0.724 0.890 1.000 0.833 CB 1.237 13 residues pruned to eliminate duplicates Z: 6 2.521 1.247 0.009 0.514 1.000 0.400 C 0.884 6 1.663 1.501 0.368 0.289 0.600 0.600 N 0.765 ? Z: 21 24.068 1.777 1.038 0.891 0.900 0.650 CB 1.187 21 residues pruned to eliminate duplicates Z: 12 10.677 1.682 0.650 0.818 0.909 0.727 CB 0.968 12 residues pruned to eliminate duplicates Z: 19 12.718 1.704 0.870 0.879 0.833 0.722 CB 0.818 19 residues pruned to eliminate duplicates Z: 9 3.117 1.212 0.429 0.294 1.000 0.625 N 0.801 Z: 11 3.356 1.430 0.380 0.369 0.800 0.700 CB 0.773 Z: 17 10.353 1.586 0.667 0.850 1.000 0.812 CB 0.725 17 residues pruned to eliminate duplicates Z: 10 3.980 1.563 -0.136 0.815 0.889 0.556 CB 0.840 10 residues pruned to eliminate duplicates Z: 11 9.181 1.718 1.073 0.853 0.900 0.600 CB 0.670 11 residues pruned to eliminate duplicates Z: 12 6.632 1.795 0.522 0.415 1.000 0.727 CB 0.800 5 residues pruned to eliminate duplicates Z: 10 11.176 1.598 0.996 0.839 0.889 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 44 21.157 1.756 0.639 0.589 0.814 0.488 CB 1.265 47 residues pruned to eliminate duplicates Z: 11 7.423 1.734 0.272 0.828 1.000 0.600 CB 0.802 11 residues pruned to eliminate duplicates Z: 8 2.481 1.398 0.433 0.263 0.571 0.286 N 1.074 Z: 7 3.836 1.437 0.915 0.417 0.667 0.500 CB 0.931 Z: 38 22.590 1.789 0.730 0.726 0.865 0.459 CB 1.132 39 residues pruned to eliminate duplicates Z: 8 9.795 1.580 0.991 0.791 1.000 0.429 CB 0.912 8 residues pruned to eliminate duplicates Z: 32 10.372 1.514 0.393 0.557 0.839 0.516 CB 0.997 23 residues pruned to eliminate duplicates 9 1.805 1.396 0.185 0.359 0.500 0.375 O 0.898 ? Z: 21 15.776 1.735 0.517 0.931 1.000 0.900 CB 0.937 21 residues pruned to eliminate duplicates Z: 11 17.082 1.785 0.691 0.886 1.000 1.000 CB 1.290 11 residues pruned to eliminate duplicates Z: 11 19.895 1.781 0.787 0.909 1.000 0.800 N 1.403 11 residues pruned to eliminate duplicates Z: 16 12.697 1.569 0.896 0.888 1.000 0.733 CB 0.794 16 residues pruned to eliminate duplicates Z: 16 15.936 1.570 1.015 0.793 0.933 0.533 CB 1.078 16 residues pruned to eliminate duplicates Z: 8 5.061 1.456 0.386 0.519 1.000 0.571 CB 0.930 Z: 13 10.791 1.525 0.381 0.851 1.000 0.667 O 1.095 13 residues pruned to eliminate duplicates 763 residues left after pruning, divided into chains as follows: A: 24 B: 20 C: 17 D: 18 E: 16 F: 17 G: 18 H: 22 I: 20 J: 16 K: 23 L: 16 M: 7 N: 21 O: 39 P: 18 Q: 15 R: 17 S: 19 T: 18 U: 24 V: 16 W: 15 X: 17 Y: 19 Z: 18 Z: 11 Z: 18 Z: 14 Z: 16 Z: 25 Z: 13 Z: 21 Z: 18 Z: 53 Z: 41 Z: 22 Z: 21 CC for partial structure against native data = 38.41 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.630, Connect. = 0.714 for dens.mod. cycle 1 = 0.300, Contrast = 0.730, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.869, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.888, Connect. = 0.770 for dens.mod. cycle 4 = 0.300, Contrast = 0.899, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.900, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.901, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.899, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.897, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.895, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2836 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 671 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 21.439 2.001 0.526 0.898 1.000 0.929 CB 1.342 B: 17 20.333 2.038 0.662 0.911 0.938 0.812 CB 1.135 C: 9 11.425 1.991 0.161 0.806 1.000 0.875 CB 1.338 D: 24 25.248 1.944 0.801 0.928 0.913 0.565 CB 1.153 E: 13 20.987 1.904 0.565 0.903 0.917 0.917 CB 1.581 12 residues pruned to eliminate duplicates F: 22 17.466 1.849 0.483 0.872 0.952 0.667 CB 1.064 G: 17 26.965 2.067 0.900 0.932 1.000 0.875 CB 1.199 17 residues pruned to eliminate duplicates H: 19 21.192 1.865 1.022 0.928 0.889 0.833 CB 1.043 I: 20 29.552 1.845 1.177 0.869 0.947 0.789 CB 1.302 J: 19 25.792 1.910 0.726 0.849 0.944 0.722 CB 1.447 K: 22 24.428 1.676 0.761 0.834 0.952 0.619 CB 1.421 L: 24 27.851 1.946 0.902 0.934 0.957 0.696 CB 1.144 M: 20 21.177 1.884 0.360 0.875 1.000 0.895 CB 1.378 N: 20 22.619 1.973 0.454 0.886 1.000 0.947 CB 1.305 O: 9 14.261 1.975 0.296 0.828 0.875 0.875 O 1.695 8 residues pruned to eliminate duplicates P: 21 27.296 1.927 0.799 0.922 0.950 0.850 CB 1.304 20 residues pruned to eliminate duplicates Q: 20 23.126 1.945 0.484 0.913 0.947 0.947 CB 1.373 R: 25 27.610 1.903 0.571 0.912 1.000 0.792 CB 1.336 25 residues pruned to eliminate duplicates S: 12 10.765 1.773 0.398 0.914 1.000 0.909 CB 0.926 T: 20 25.788 1.978 0.627 0.914 1.000 0.895 CB 1.300 U: 20 21.561 2.046 0.682 0.904 0.947 0.789 CB 1.081 V: 16 27.915 1.937 0.634 0.927 1.000 0.933 CB 1.597 20 residues pruned to eliminate duplicates W: 18 18.856 1.868 0.610 0.809 0.882 0.824 CB 1.317 X: 24 29.707 1.949 0.974 0.935 0.913 0.565 CB 1.229 24 residues pruned to eliminate duplicates Y: 21 25.745 2.023 0.660 0.905 0.950 0.850 CB 1.284 22 residues pruned to eliminate duplicates Z: 15 15.211 1.862 0.827 0.889 0.929 0.714 CB 0.927 15 residues pruned to eliminate duplicates Z: 20 22.306 2.023 0.676 0.901 0.947 0.842 CB 1.137 20 residues pruned to eliminate duplicates Z: 20 29.455 1.979 0.709 0.902 1.000 0.842 CB 1.425 19 residues pruned to eliminate duplicates Z: 21 27.590 1.897 0.628 0.916 1.000 0.950 CB 1.411 21 residues pruned to eliminate duplicates Z: 14 17.101 1.995 1.266 0.921 1.000 0.769 CB 0.739 Z: 16 18.583 1.917 0.381 0.845 1.000 0.667 CB 1.348 Z: 15 24.572 1.898 0.529 0.874 1.000 0.786 CB 1.647 15 residues pruned to eliminate duplicates Z: 21 24.314 1.913 0.663 0.916 0.950 0.950 CB 1.271 20 residues pruned to eliminate duplicates Z: 19 24.316 2.036 0.946 0.870 0.889 0.889 CB 1.188 18 residues pruned to eliminate duplicates Z: 20 25.426 2.062 0.865 0.936 0.895 0.737 CB 1.181 21 residues pruned to eliminate duplicates Z: 24 26.983 1.965 0.581 0.937 1.000 0.957 CB 1.260 24 residues pruned to eliminate duplicates Z: 19 14.066 1.784 0.572 0.793 0.778 0.444 CB 1.176 Z: 23 23.144 1.911 0.737 0.857 1.000 0.591 CB 1.095 20 residues pruned to eliminate duplicates Z: 19 21.476 1.881 0.682 0.856 0.889 0.611 CB 1.327 19 residues pruned to eliminate duplicates Z: 12 9.048 1.690 0.348 0.838 0.909 0.636 CB 0.985 8 residues pruned to eliminate duplicates Z: 19 27.194 2.003 0.830 0.925 1.000 0.944 CB 1.227 19 residues pruned to eliminate duplicates Z: 18 20.220 2.016 1.007 0.933 1.000 0.588 CB 0.846 13 residues pruned to eliminate duplicates Z: 21 25.113 1.956 0.392 0.868 1.000 0.900 CB 1.508 20 residues pruned to eliminate duplicates Z: 21 25.180 1.816 1.048 0.891 1.000 0.500 CB 1.089 20 residues pruned to eliminate duplicates Z: 20 22.830 1.923 0.528 0.914 1.000 1.000 CB 1.260 20 residues pruned to eliminate duplicates Z: 22 22.408 1.969 0.460 0.899 0.952 0.810 CB 1.276 22 residues pruned to eliminate duplicates Z: 19 21.695 1.924 0.704 0.902 1.000 0.778 CB 1.113 19 residues pruned to eliminate duplicates Z: 19 32.661 1.979 0.949 0.910 1.000 0.833 CB 1.416 19 residues pruned to eliminate duplicates Z: 23 26.003 1.982 0.698 0.927 0.909 0.773 CB 1.270 23 residues pruned to eliminate duplicates Z: 25 20.693 1.825 0.826 0.889 0.917 0.625 CB 0.996 Z: 21 28.057 1.956 0.474 0.873 1.000 0.650 CB 1.584 22 residues pruned to eliminate duplicates Z: 22 26.726 1.979 0.684 0.886 0.952 0.810 CB 1.325 20 residues pruned to eliminate duplicates Z: 21 23.089 1.811 0.979 0.850 0.850 0.400 CB 1.255 21 residues pruned to eliminate duplicates Z: 16 18.939 2.047 0.480 0.892 1.000 0.800 CB 1.159 16 residues pruned to eliminate duplicates Z: 16 16.248 1.824 0.264 0.906 0.933 0.733 CB 1.387 Z: 19 30.947 2.013 0.692 0.924 1.000 0.944 CB 1.504 Z: 22 28.731 1.973 0.829 0.913 0.905 0.762 CB 1.359 22 residues pruned to eliminate duplicates Z: 21 22.051 1.862 0.521 0.925 0.950 0.900 CB 1.287 21 residues pruned to eliminate duplicates Z: 16 24.410 2.107 0.828 0.875 0.933 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 11 14.968 2.011 0.401 0.845 0.900 0.700 CB 1.388 11 residues pruned to eliminate duplicates Z: 16 17.836 1.867 0.385 0.890 1.000 0.933 CB 1.281 14 residues pruned to eliminate duplicates Z: 19 20.586 1.923 0.491 0.914 1.000 0.889 CB 1.197 19 residues pruned to eliminate duplicates Z: 13 18.209 1.818 1.113 0.848 0.917 0.667 CB 1.107 11 residues pruned to eliminate duplicates Z: 18 17.032 1.807 0.512 0.879 1.000 0.941 CB 1.097 Z: 14 17.267 1.813 0.610 0.856 1.000 0.846 CB 1.211 Z: 19 19.150 1.944 0.613 0.871 1.000 0.889 CB 1.050 20 residues pruned to eliminate duplicates Z: 15 17.842 1.926 0.724 0.827 0.857 0.571 CB 1.262 9 residues pruned to eliminate duplicates Z: 20 21.430 2.024 0.516 0.888 0.947 0.895 CB 1.218 20 residues pruned to eliminate duplicates Z: 19 28.780 2.003 0.600 0.887 1.000 0.944 CB 1.526 19 residues pruned to eliminate duplicates Z: 15 13.611 1.826 0.655 0.851 1.000 0.571 CB 0.891 Z: 17 19.339 1.888 0.384 0.934 1.000 0.938 CB 1.290 Z: 25 25.938 1.932 0.776 0.856 0.917 0.708 CB 1.241 25 residues pruned to eliminate duplicates Z: 18 16.146 1.774 0.700 0.534 1.000 0.588 CB 1.256 18 residues pruned to eliminate duplicates Z: 24 27.000 1.970 0.881 0.933 0.913 0.609 CB 1.161 23 residues pruned to eliminate duplicates Z: 22 28.587 1.964 0.661 0.915 1.000 0.857 CB 1.352 22 residues pruned to eliminate duplicates Z: 17 20.751 1.935 0.378 0.899 1.000 1.000 CB 1.391 18 residues pruned to eliminate duplicates Z: 8 5.095 1.720 0.308 0.797 0.714 0.571 CB 0.924 Z: 21 24.123 1.964 0.729 0.889 0.950 0.600 CB 1.203 21 residues pruned to eliminate duplicates Z: 27 28.910 1.844 0.923 0.905 1.000 0.846 CB 1.138 24 residues pruned to eliminate duplicates Z: 18 21.171 2.053 0.886 0.940 1.000 0.882 CB 0.920 18 residues pruned to eliminate duplicates Z: 20 32.410 2.016 0.702 0.899 1.000 0.895 CB 1.548 20 residues pruned to eliminate duplicates Z: 16 26.385 1.916 0.994 0.859 0.933 0.400 CB 1.407 16 residues pruned to eliminate duplicates Z: 15 15.042 1.595 0.612 0.852 0.929 0.857 CB 1.245 Z: 19 20.762 1.918 0.621 0.910 0.889 0.833 CB 1.256 19 residues pruned to eliminate duplicates Z: 18 23.662 1.839 0.962 0.883 1.000 0.706 CB 1.150 Z: 13 16.838 1.823 0.358 0.911 1.000 0.917 CB 1.392 13 residues pruned to eliminate duplicates Z: 16 21.922 1.878 0.819 0.878 0.933 0.533 CB 1.289 19 residues pruned to eliminate duplicates Z: 16 19.893 2.056 0.624 0.900 1.000 0.867 CB 1.098 16 residues pruned to eliminate duplicates Z: 22 21.451 1.829 0.524 0.920 1.000 0.905 CB 1.182 18 residues pruned to eliminate duplicates Z: 23 26.353 2.022 0.547 0.920 0.955 0.864 CB 1.324 23 residues pruned to eliminate duplicates Z: 17 21.817 2.041 0.873 0.933 1.000 0.875 CB 0.995 17 residues pruned to eliminate duplicates Z: 19 31.378 1.946 0.930 0.882 1.000 0.556 CB 1.425 21 residues pruned to eliminate duplicates Z: 23 24.582 1.947 0.616 0.896 0.955 0.818 CB 1.250 23 residues pruned to eliminate duplicates Z: 19 12.013 1.705 0.596 0.799 0.889 0.500 CB 0.901 Z: 23 29.096 1.992 0.729 0.917 0.955 0.909 CB 1.331 23 residues pruned to eliminate duplicates Z: 20 12.849 1.754 0.398 0.781 0.895 0.737 CB 1.049 19 residues pruned to eliminate duplicates Z: 18 22.328 1.808 0.530 0.856 0.941 0.882 CB 1.534 17 residues pruned to eliminate duplicates Z: 17 16.317 1.825 0.799 0.908 1.000 0.750 CB 0.883 16 residues pruned to eliminate duplicates Z: 22 22.650 1.917 0.738 0.823 0.952 0.667 CB 1.177 22 residues pruned to eliminate duplicates Z: 14 25.611 2.127 0.828 0.902 1.000 1.000 CB 1.303 14 residues pruned to eliminate duplicates Z: 18 20.858 1.927 0.423 0.874 1.000 0.765 CB 1.343 16 residues pruned to eliminate duplicates Z: 15 24.563 2.052 0.736 0.885 0.929 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 17 22.264 1.918 1.137 0.900 1.000 0.688 CB 0.970 Z: 21 18.948 1.905 0.647 0.859 0.850 0.600 CB 1.169 21 residues pruned to eliminate duplicates Z: 21 27.194 1.920 0.623 0.892 1.000 0.850 CB 1.402 21 residues pruned to eliminate duplicates Z: 16 20.205 1.916 0.676 0.917 1.000 0.867 CB 1.147 16 residues pruned to eliminate duplicates Z: 19 25.252 2.020 0.474 0.906 1.000 0.778 CB 1.422 19 residues pruned to eliminate duplicates Z: 16 30.237 1.975 0.799 0.889 1.000 0.867 CB 1.582 17 residues pruned to eliminate duplicates Z: 19 31.192 1.999 0.850 0.889 1.000 0.778 CB 1.432 19 residues pruned to eliminate duplicates Z: 21 23.510 1.854 0.846 0.911 1.000 0.750 CB 1.089 21 residues pruned to eliminate duplicates Z: 16 16.279 1.829 0.498 0.906 1.000 0.933 CB 1.092 15 residues pruned to eliminate duplicates Z: 23 18.621 1.776 0.784 0.814 0.955 0.636 CB 1.000 23 residues pruned to eliminate duplicates Z: 17 24.727 1.922 0.670 0.922 1.000 0.938 CB 1.355 16 residues pruned to eliminate duplicates Z: 19 21.163 2.006 1.011 0.921 1.000 0.778 CB 0.870 19 residues pruned to eliminate duplicates Z: 21 26.375 1.965 0.571 0.905 0.950 0.950 CB 1.431 21 residues pruned to eliminate duplicates Z: 22 19.827 1.829 0.993 0.927 0.905 0.429 CB 0.919 22 residues pruned to eliminate duplicates Z: 16 19.534 1.865 0.697 0.911 0.933 0.933 CB 1.210 Z: 10 10.612 1.806 0.278 0.807 0.889 0.778 O 1.319 Z: 12 18.228 1.966 0.584 0.896 0.909 0.818 CB 1.391 12 residues pruned to eliminate duplicates Z: 11 19.862 1.946 0.641 0.882 0.900 0.900 O 1.581 12 residues pruned to eliminate duplicates Z: 15 16.336 1.916 0.170 0.893 1.000 0.786 CB 1.398 15 residues pruned to eliminate duplicates Z: 17 18.158 1.938 0.601 0.807 0.938 0.875 CB 1.194 17 residues pruned to eliminate duplicates Z: 15 31.428 2.048 1.084 0.925 1.000 1.000 CB 1.381 17 residues pruned to eliminate duplicates Z: 16 16.658 1.854 0.440 0.888 1.000 0.800 CB 1.161 16 residues pruned to eliminate duplicates Z: 17 20.274 1.990 0.663 0.911 0.938 0.875 CB 1.159 17 residues pruned to eliminate duplicates Z: 18 25.530 2.038 0.528 0.878 1.000 0.882 CB 1.443 18 residues pruned to eliminate duplicates Z: 13 13.098 1.722 0.601 0.827 1.000 0.667 CB 1.033 13 residues pruned to eliminate duplicates 6 1.705 1.787 0.757 0.310 0.400 0.400 CB 0.749 ? Z: 21 23.264 2.002 0.569 0.914 0.950 0.850 CB 1.233 21 residues pruned to eliminate duplicates Z: 18 22.439 1.856 0.770 0.895 1.000 0.882 CB 1.187 18 residues pruned to eliminate duplicates Z: 15 15.200 1.823 0.491 0.826 1.000 0.714 CB 1.127 Z: 19 21.084 1.905 0.648 0.922 0.944 0.778 CB 1.180 18 residues pruned to eliminate duplicates Z: 9 10.774 1.780 0.570 0.920 1.000 0.875 CB 0.960 10 residues pruned to eliminate duplicates Z: 16 12.403 1.759 0.375 0.929 1.000 1.000 CB 0.926 16 residues pruned to eliminate duplicates Z: 15 12.247 1.826 0.192 0.888 0.929 0.786 CB 1.167 15 residues pruned to eliminate duplicates Z: 13 16.831 1.772 0.628 0.913 1.000 0.667 CB 1.192 Z: 18 20.009 1.921 0.466 0.907 1.000 0.941 CB 1.225 18 residues pruned to eliminate duplicates Z: 11 9.810 1.868 0.542 0.844 0.900 0.700 CB 0.890 11 residues pruned to eliminate duplicates Z: 11 13.101 1.705 0.674 0.854 1.000 0.700 CB 1.072 10 residues pruned to eliminate duplicates Z: 17 24.303 1.955 1.109 0.852 1.000 0.625 CB 1.090 17 residues pruned to eliminate duplicates Z: 24 28.215 1.922 0.939 0.915 0.957 0.609 CB 1.166 24 residues pruned to eliminate duplicates Z: 21 23.957 1.912 0.636 0.902 0.950 0.850 CB 1.286 21 residues pruned to eliminate duplicates Z: 17 17.414 1.671 0.690 0.850 1.000 0.688 CB 1.142 13 residues pruned to eliminate duplicates Z: 6 3.347 1.434 0.439 0.479 0.800 0.400 CB 0.926 Z: 19 23.285 1.977 0.496 0.924 1.000 1.000 CB 1.303 19 residues pruned to eliminate duplicates Z: 24 25.010 1.932 0.742 0.883 1.000 0.696 CB 1.121 24 residues pruned to eliminate duplicates Z: 19 21.684 1.961 0.705 0.935 0.944 0.889 CB 1.128 19 residues pruned to eliminate duplicates Z: 18 22.350 1.776 0.657 0.898 1.000 0.824 CB 1.317 Z: 18 17.100 1.936 0.361 0.915 0.941 0.824 CB 1.182 18 residues pruned to eliminate duplicates Z: 21 26.904 1.932 0.681 0.929 1.000 0.950 CB 1.296 22 residues pruned to eliminate duplicates Z: 21 19.017 1.924 0.501 0.731 0.850 0.750 CB 1.408 21 residues pruned to eliminate duplicates Z: 17 15.762 1.632 0.611 0.795 0.938 0.688 O 1.234 17 residues pruned to eliminate duplicates Z: 12 18.092 1.929 0.630 0.916 1.000 1.000 CB 1.225 13 residues pruned to eliminate duplicates Z: 16 17.515 1.876 0.153 0.932 1.000 0.867 CB 1.460 16 residues pruned to eliminate duplicates Z: 23 30.120 1.850 0.882 0.908 1.000 0.727 CB 1.310 23 residues pruned to eliminate duplicates Z: 18 17.301 1.876 0.408 0.855 0.882 0.882 CB 1.328 18 residues pruned to eliminate duplicates Z: 6 2.577 1.813 0.643 0.250 0.800 0.400 CB 0.645 Z: 16 13.760 1.767 0.291 0.922 1.000 1.000 CB 1.095 15 residues pruned to eliminate duplicates Z: 21 22.247 2.002 0.543 0.907 0.950 0.700 CB 1.205 21 residues pruned to eliminate duplicates Z: 18 20.024 1.867 0.374 0.826 1.000 0.824 CB 1.428 18 residues pruned to eliminate duplicates Z: 19 33.018 2.046 0.902 0.927 0.944 0.778 CB 1.484 19 residues pruned to eliminate duplicates Z: 21 25.420 1.917 0.720 0.899 0.950 0.900 CB 1.297 21 residues pruned to eliminate duplicates Z: 16 14.363 1.762 0.388 0.737 0.933 0.867 CB 1.314 16 residues pruned to eliminate duplicates Z: 14 17.880 1.829 0.861 0.852 0.923 0.615 CB 1.168 12 residues pruned to eliminate duplicates Z: 18 21.037 1.795 0.570 0.895 0.941 0.882 CB 1.379 18 residues pruned to eliminate duplicates Z: 11 11.308 1.849 0.621 0.865 0.900 0.900 CB 0.971 11 residues pruned to eliminate duplicates Z: 20 17.763 1.982 0.742 0.912 1.000 0.842 CB 0.836 19 residues pruned to eliminate duplicates Z: 6 4.119 1.699 0.655 0.289 0.800 0.600 CB 1.038 6 residues pruned to eliminate duplicates Z: 18 13.046 1.677 0.837 0.908 0.941 0.882 CB 0.775 Z: 17 19.385 1.623 0.881 0.896 1.000 0.812 CB 1.136 15 residues pruned to eliminate duplicates Z: 16 17.141 1.673 0.724 0.904 0.933 0.800 CB 1.171 16 residues pruned to eliminate duplicates Z: 22 23.911 1.938 0.471 0.926 1.000 1.000 CB 1.283 22 residues pruned to eliminate duplicates Z: 18 21.253 1.894 0.580 0.843 0.941 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 17 16.304 1.937 0.436 0.858 0.875 0.812 CB 1.233 17 residues pruned to eliminate duplicates Z: 24 26.626 1.881 0.963 0.932 0.957 0.522 CB 1.098 24 residues pruned to eliminate duplicates Z: 23 18.236 1.866 0.484 0.854 0.909 0.727 CB 1.140 23 residues pruned to eliminate duplicates Z: 18 18.765 1.911 0.686 0.877 0.941 0.824 CB 1.090 18 residues pruned to eliminate duplicates Z: 13 10.835 1.617 0.453 0.843 1.000 0.583 CB 0.991 8 residues pruned to eliminate duplicates Z: 13 27.082 2.087 1.038 0.885 0.917 0.583 CB 1.448 13 residues pruned to eliminate duplicates Z: 12 17.688 1.919 0.683 0.869 1.000 0.818 CB 1.206 12 residues pruned to eliminate duplicates Z: 16 20.982 1.913 1.156 0.917 1.000 0.800 CB 0.927 16 residues pruned to eliminate duplicates Z: 18 15.420 1.632 0.583 0.861 1.000 0.824 CB 1.064 16 residues pruned to eliminate duplicates Z: 18 22.943 1.920 0.616 0.900 1.000 0.882 CB 1.281 19 residues pruned to eliminate duplicates Z: 17 19.535 1.926 0.448 0.916 1.000 0.875 CB 1.237 17 residues pruned to eliminate duplicates Z: 18 20.376 2.040 0.574 0.884 1.000 0.706 CB 1.112 19 residues pruned to eliminate duplicates Z: 21 16.869 1.723 0.298 0.885 1.000 0.750 CB 1.218 18 residues pruned to eliminate duplicates Z: 24 24.994 1.933 0.898 0.922 0.870 0.565 CB 1.149 24 residues pruned to eliminate duplicates Z: 20 22.065 1.932 1.120 0.764 0.895 0.737 CB 1.093 20 residues pruned to eliminate duplicates Z: 19 17.262 1.850 0.472 0.883 0.944 0.833 CB 1.144 19 residues pruned to eliminate duplicates Z: 19 18.493 1.871 0.462 0.890 1.000 0.944 CB 1.146 19 residues pruned to eliminate duplicates Z: 17 26.736 1.918 0.607 0.909 1.000 0.875 CB 1.540 17 residues pruned to eliminate duplicates Z: 22 27.287 1.835 0.938 0.903 0.952 0.714 CB 1.253 22 residues pruned to eliminate duplicates Z: 12 15.263 1.863 0.423 0.918 1.000 0.818 CB 1.224 12 residues pruned to eliminate duplicates Z: 22 30.618 1.888 0.959 0.921 1.000 0.857 CB 1.271 22 residues pruned to eliminate duplicates Z: 17 17.964 1.728 0.924 0.899 0.938 0.562 CB 1.030 17 residues pruned to eliminate duplicates Z: 38 33.806 1.856 0.917 0.844 0.973 0.622 CB 1.195 42 residues pruned to eliminate duplicates Z: 19 25.394 1.927 0.745 0.917 1.000 0.833 CB 1.256 18 residues pruned to eliminate duplicates Z: 18 19.679 1.881 0.678 0.866 0.941 0.706 CB 1.176 18 residues pruned to eliminate duplicates Z: 20 21.752 1.929 0.379 0.903 1.000 0.947 CB 1.338 20 residues pruned to eliminate duplicates Z: 21 19.073 1.774 0.651 0.811 0.900 0.750 CB 1.234 Z: 17 16.816 1.707 0.323 0.910 1.000 0.875 CB 1.321 Z: 18 16.984 1.710 0.654 0.788 1.000 0.706 CB 1.131 Z: 6 3.799 1.903 0.147 0.862 1.000 0.800 CB 0.571 Z: 17 9.534 1.752 0.396 0.912 1.000 0.812 CB 0.690 15 residues pruned to eliminate duplicates Z: 12 17.021 1.830 0.363 0.836 1.000 0.818 CB 1.540 12 residues pruned to eliminate duplicates 6 1.261 1.754 0.631 0.792 0.800 0.800 CB 0.191 ? Z: 21 25.675 1.892 0.871 0.848 0.850 0.600 CB 1.416 21 residues pruned to eliminate duplicates Z: 19 18.047 1.930 0.390 0.884 0.944 0.889 CB 1.214 19 residues pruned to eliminate duplicates Z: 35 22.153 1.831 0.655 0.797 0.941 0.794 CB 1.027 39 residues pruned to eliminate duplicates Z: 21 22.411 2.012 0.661 0.877 0.900 0.700 CB 1.210 21 residues pruned to eliminate duplicates Z: 25 20.953 1.775 0.635 0.871 0.958 0.750 CB 1.122 26 residues pruned to eliminate duplicates Z: 19 21.814 1.848 0.891 0.935 1.000 0.944 CB 1.025 18 residues pruned to eliminate duplicates Z: 19 20.789 1.916 0.806 0.903 0.944 0.778 CB 1.069 19 residues pruned to eliminate duplicates Z: 14 13.623 1.734 0.762 0.818 0.769 0.462 CB 1.220 Z: 21 18.128 1.904 0.729 0.905 0.900 0.750 CB 0.974 21 residues pruned to eliminate duplicates Z: 22 26.729 1.959 0.886 0.889 0.905 0.762 CB 1.256 22 residues pruned to eliminate duplicates Z: 17 14.251 1.656 0.357 0.850 0.938 0.750 CB 1.253 17 residues pruned to eliminate duplicates Z: 18 17.367 1.833 0.515 0.932 1.000 0.941 CB 1.060 18 residues pruned to eliminate duplicates Z: 19 16.080 1.682 0.910 0.920 1.000 0.722 CB 0.831 18 residues pruned to eliminate duplicates Z: 17 19.085 1.888 0.581 0.925 1.000 0.750 CB 1.122 13 residues pruned to eliminate duplicates Z: 18 17.375 1.907 0.464 0.842 0.941 0.706 CB 1.195 18 residues pruned to eliminate duplicates Z: 18 24.134 2.027 0.553 0.908 1.000 1.000 CB 1.321 18 residues pruned to eliminate duplicates Z: 8 7.149 1.897 0.018 0.847 0.857 0.857 CB 1.211 8 residues pruned to eliminate duplicates Z: 17 12.944 1.973 0.361 0.928 1.000 1.000 CB 0.844 17 residues pruned to eliminate duplicates Z: 22 25.554 1.945 0.723 0.889 1.000 0.810 CB 1.198 21 residues pruned to eliminate duplicates Z: 17 22.160 1.809 0.845 0.868 1.000 0.875 CB 1.213 17 residues pruned to eliminate duplicates Z: 12 9.041 1.656 0.362 0.890 0.818 0.545 CB 1.063 12 residues pruned to eliminate duplicates Z: 23 28.861 1.865 0.895 0.939 1.000 0.864 CB 1.209 23 residues pruned to eliminate duplicates Z: 17 18.011 1.667 0.554 0.906 1.000 0.875 CB 1.237 17 residues pruned to eliminate duplicates Z: 7 4.884 1.574 0.272 0.862 1.000 0.833 CB 0.731 7 residues pruned to eliminate duplicates Z: 18 21.514 1.877 0.723 0.923 1.000 0.765 CB 1.133 18 residues pruned to eliminate duplicates Z: 6 2.905 1.919 0.850 0.844 0.800 0.800 CB 0.340 Z: 9 3.061 1.764 0.264 0.302 0.500 0.375 CB 1.210 Z: 18 15.885 1.798 0.848 0.840 0.882 0.765 CB 0.981 18 residues pruned to eliminate duplicates Z: 18 20.655 1.926 0.356 0.904 0.941 0.824 CB 1.452 18 residues pruned to eliminate duplicates Z: 15 16.883 1.782 0.942 0.910 0.857 0.500 CB 1.079 15 residues pruned to eliminate duplicates Z: 14 23.616 1.941 0.883 0.915 1.000 0.846 CB 1.267 14 residues pruned to eliminate duplicates Z: 10 16.110 1.748 0.836 0.826 1.000 1.000 CB 1.262 10 residues pruned to eliminate duplicates Z: 22 25.789 1.934 0.766 0.892 0.952 0.571 CB 1.243 22 residues pruned to eliminate duplicates Z: 20 26.188 1.940 0.620 0.926 0.947 0.947 CB 1.415 20 residues pruned to eliminate duplicates Z: 10 3.030 1.606 0.511 0.424 0.556 0.333 CB 0.811 10 residues pruned to eliminate duplicates Z: 16 20.619 1.920 0.504 0.917 1.000 0.800 CB 1.301 16 residues pruned to eliminate duplicates Z: 18 27.469 1.839 1.020 0.862 0.941 0.647 CB 1.399 17 residues pruned to eliminate duplicates Z: 9 7.601 1.684 0.655 0.423 0.875 0.250 CB 1.194 Z: 19 17.426 1.865 0.750 0.892 0.944 0.667 CB 0.958 19 residues pruned to eliminate duplicates Z: 14 10.682 1.730 0.767 0.800 0.846 0.615 CB 0.881 14 residues pruned to eliminate duplicates Z: 18 19.985 1.829 0.555 0.843 1.000 0.882 CB 1.269 18 residues pruned to eliminate duplicates Z: 22 23.945 1.956 0.572 0.933 0.952 0.905 CB 1.244 22 residues pruned to eliminate duplicates Z: 13 5.442 1.758 0.671 0.509 0.750 0.500 CB 0.707 Z: 22 19.786 1.855 1.037 0.792 0.810 0.429 CB 1.093 23 residues pruned to eliminate duplicates Z: 17 19.171 1.800 0.662 0.840 0.938 0.688 CB 1.275 20 residues pruned to eliminate duplicates Z: 14 10.584 1.644 0.843 0.868 0.769 0.308 CB 0.921 14 residues pruned to eliminate duplicates Z: 15 16.453 1.687 0.641 0.913 1.000 0.714 CB 1.124 13 residues pruned to eliminate duplicates Z: 14 17.295 1.909 0.256 0.908 1.000 0.846 CB 1.421 14 residues pruned to eliminate duplicates Z: 21 24.091 1.991 0.522 0.901 0.950 0.950 CB 1.335 21 residues pruned to eliminate duplicates Z: 13 28.309 2.027 0.693 0.923 1.000 1.000 CB 1.675 13 residues pruned to eliminate duplicates Z: 23 27.515 1.930 0.778 0.910 1.000 0.864 CB 1.212 23 residues pruned to eliminate duplicates Z: 16 16.563 1.950 0.266 0.913 1.000 1.000 CB 1.225 15 residues pruned to eliminate duplicates Z: 18 21.157 1.973 1.081 0.664 0.882 0.412 CB 1.216 18 residues pruned to eliminate duplicates Z: 18 25.904 1.914 0.703 0.868 1.000 0.647 CB 1.410 17 residues pruned to eliminate duplicates Z: 18 10.213 1.760 0.368 0.448 0.941 0.706 CB 1.154 18 residues pruned to eliminate duplicates Z: 13 19.532 1.866 0.529 0.857 1.000 0.583 CB 1.456 13 residues pruned to eliminate duplicates Z: 16 17.478 1.726 0.487 0.884 0.933 0.867 CB 1.361 16 residues pruned to eliminate duplicates Z: 11 8.997 1.730 0.511 0.806 0.800 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 15 13.178 1.653 0.730 0.855 0.857 0.714 CB 1.061 15 residues pruned to eliminate duplicates Z: 16 19.317 1.796 0.750 0.915 1.000 0.800 CB 1.122 16 residues pruned to eliminate duplicates Z: 21 23.730 1.939 0.813 0.902 0.950 0.950 CB 1.133 21 residues pruned to eliminate duplicates Z: 9 4.878 1.565 0.128 0.678 0.875 0.250 CB 0.948 Z: 14 12.761 1.717 0.937 0.913 1.000 0.923 CB 0.754 13 residues pruned to eliminate duplicates Z: 14 14.696 1.704 0.795 0.847 0.846 0.385 CB 1.169 14 residues pruned to eliminate duplicates Z: 22 26.777 2.012 0.591 0.910 1.000 0.762 CB 1.295 22 residues pruned to eliminate duplicates Z: 18 16.589 1.990 0.409 0.918 1.000 1.000 CB 1.012 18 residues pruned to eliminate duplicates Z: 19 30.512 1.955 0.757 0.928 1.000 0.944 CB 1.466 19 residues pruned to eliminate duplicates Z: 19 12.694 1.689 0.608 0.899 0.944 0.833 CB 0.833 19 residues pruned to eliminate duplicates Z: 17 16.003 1.655 0.617 0.851 0.875 0.688 CB 1.265 16 residues pruned to eliminate duplicates Z: 18 18.996 1.897 0.632 0.890 0.941 0.824 CB 1.138 18 residues pruned to eliminate duplicates Z: 20 28.463 1.947 0.900 0.910 0.947 0.895 CB 1.321 21 residues pruned to eliminate duplicates Z: 19 20.425 1.688 0.773 0.829 1.000 0.722 CB 1.210 16 residues pruned to eliminate duplicates Z: 20 20.670 2.006 0.835 0.925 0.947 0.947 CB 0.954 20 residues pruned to eliminate duplicates Z: 20 22.352 1.866 0.592 0.927 1.000 0.895 CB 1.210 20 residues pruned to eliminate duplicates Z: 18 14.528 1.956 0.298 0.876 0.941 0.882 CB 1.071 18 residues pruned to eliminate duplicates Z: 11 18.861 1.910 0.712 0.889 1.000 0.900 CB 1.314 11 residues pruned to eliminate duplicates Z: 17 27.692 1.861 0.620 0.910 1.000 0.875 O 1.628 19 residues pruned to eliminate duplicates Z: 11 11.805 1.854 0.982 0.909 0.800 0.800 CB 0.902 11 residues pruned to eliminate duplicates Z: 18 27.038 2.075 0.494 0.923 1.000 0.882 CB 1.486 18 residues pruned to eliminate duplicates 6 1.979 1.729 0.400 0.813 0.800 0.800 CB 0.348 ? Z: 18 23.984 1.940 0.653 0.902 1.000 0.941 CB 1.294 18 residues pruned to eliminate duplicates Z: 20 25.838 1.940 0.654 0.937 1.000 0.947 CB 1.286 20 residues pruned to eliminate duplicates Z: 12 10.172 1.541 0.649 0.794 0.818 0.455 CB 1.139 12 residues pruned to eliminate duplicates Z: 10 12.134 1.873 0.595 0.847 1.000 0.889 CB 1.004 10 residues pruned to eliminate duplicates Z: 22 22.254 1.782 0.497 0.882 1.000 0.857 CB 1.317 22 residues pruned to eliminate duplicates Z: 21 28.035 1.872 0.910 0.901 0.900 0.850 CB 1.390 21 residues pruned to eliminate duplicates Z: 20 24.047 2.012 0.570 0.846 1.000 0.842 CB 1.298 20 residues pruned to eliminate duplicates Z: 7 8.358 1.863 0.723 0.884 1.000 1.000 CB 0.768 5 residues pruned to eliminate duplicates Z: 20 25.497 1.963 0.809 0.847 0.895 0.684 CB 1.367 20 residues pruned to eliminate duplicates Z: 20 28.043 1.934 0.888 0.847 1.000 0.579 CB 1.308 20 residues pruned to eliminate duplicates Z: 12 13.024 1.778 0.360 0.819 0.909 0.727 CB 1.354 10 residues pruned to eliminate duplicates Z: 17 21.660 1.811 0.711 0.901 1.000 0.750 CB 1.247 17 residues pruned to eliminate duplicates Z: 7 4.818 1.791 0.794 0.796 0.833 0.500 CB 0.567 Z: 22 29.008 1.896 1.204 0.912 0.952 0.667 CB 1.127 22 residues pruned to eliminate duplicates Z: 12 7.915 1.637 0.493 0.492 0.818 0.545 CB 1.202 Z: 10 11.992 1.655 0.429 0.833 1.000 0.667 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 4.506 1.800 0.222 0.811 1.000 0.625 CB 0.552 Z: 16 18.229 1.785 0.739 0.903 0.933 0.800 CB 1.158 16 residues pruned to eliminate duplicates Z: 13 8.265 1.737 0.070 0.619 0.833 0.667 CB 1.377 13 residues pruned to eliminate duplicates Z: 16 22.151 1.960 0.431 0.920 1.000 0.933 CB 1.437 16 residues pruned to eliminate duplicates Z: 17 13.904 1.732 0.676 0.907 1.000 1.000 CB 0.851 16 residues pruned to eliminate duplicates Z: 17 12.397 1.803 0.685 0.840 0.875 0.625 CB 0.870 17 residues pruned to eliminate duplicates Z: 11 7.823 1.807 0.785 0.709 0.800 0.300 CB 0.793 Z: 18 19.420 1.854 0.870 0.831 0.882 0.706 CB 1.156 18 residues pruned to eliminate duplicates 6 1.913 1.608 0.202 0.234 0.800 0.200 N 0.754 ? Z: 20 22.403 1.953 0.614 0.930 1.000 0.947 CB 1.140 20 residues pruned to eliminate duplicates Z: 15 20.312 1.918 0.635 0.922 1.000 0.857 CB 1.218 15 residues pruned to eliminate duplicates Z: 17 20.578 1.866 0.900 0.869 1.000 0.875 CB 1.060 17 residues pruned to eliminate duplicates Z: 20 14.527 1.733 0.622 0.782 0.895 0.632 CB 1.033 20 residues pruned to eliminate duplicates Z: 18 17.009 1.777 0.537 0.885 1.000 0.765 CB 1.091 18 residues pruned to eliminate duplicates Z: 17 15.848 1.695 0.603 0.863 0.875 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 23 27.408 1.911 0.921 0.861 0.909 0.545 CB 1.287 23 residues pruned to eliminate duplicates Z: 19 32.132 1.955 0.955 0.884 1.000 0.667 CB 1.432 19 residues pruned to eliminate duplicates Z: 20 19.379 1.889 0.626 0.909 0.895 0.842 CB 1.148 20 residues pruned to eliminate duplicates Z: 15 19.517 1.817 0.703 0.903 0.929 0.786 CB 1.294 19 residues pruned to eliminate duplicates Z: 7 3.880 1.252 0.724 0.468 0.833 0.500 CB 0.910 Z: 6 4.515 1.424 0.186 0.752 1.000 0.600 N 0.955 Z: 20 27.061 1.975 0.647 0.920 1.000 0.947 CB 1.344 20 residues pruned to eliminate duplicates Z: 14 20.304 1.998 0.345 0.912 1.000 0.923 CB 1.484 14 residues pruned to eliminate duplicates Z: 15 4.277 1.554 0.535 0.261 0.714 0.214 CB 0.882 Z: 11 9.668 1.709 1.109 0.917 1.000 0.400 CB 0.599 11 residues pruned to eliminate duplicates Z: 17 17.811 1.874 0.632 0.863 0.938 0.812 CB 1.139 17 residues pruned to eliminate duplicates Z: 12 13.785 1.835 0.598 0.879 0.909 0.636 CB 1.131 12 residues pruned to eliminate duplicates Z: 8 7.621 1.910 0.566 0.862 0.857 0.857 CB 0.825 8 residues pruned to eliminate duplicates Z: 21 16.118 1.738 0.519 0.772 1.000 0.800 CB 1.074 21 residues pruned to eliminate duplicates Z: 20 26.820 1.933 0.849 0.924 0.947 0.579 CB 1.276 20 residues pruned to eliminate duplicates Z: 8 2.193 1.377 0.407 0.356 0.714 0.571 CB 0.700 Z: 21 24.626 2.001 0.660 0.922 1.000 1.000 CB 1.166 21 residues pruned to eliminate duplicates Z: 18 16.634 1.871 0.269 0.858 0.941 0.824 CB 1.329 18 residues pruned to eliminate duplicates Z: 15 15.583 1.677 0.621 0.913 0.929 0.857 CB 1.168 15 residues pruned to eliminate duplicates Z: 16 12.078 1.857 0.059 0.673 0.933 0.667 CB 1.449 16 residues pruned to eliminate duplicates Z: 14 13.013 1.778 0.551 0.659 0.846 0.538 CB 1.334 14 residues pruned to eliminate duplicates Z: 10 9.986 1.635 0.274 0.867 0.889 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 10 15.058 1.846 1.076 0.779 1.000 0.556 CB 1.025 10 residues pruned to eliminate duplicates Z: 18 19.484 1.901 0.557 0.912 1.000 0.824 CB 1.131 18 residues pruned to eliminate duplicates Z: 21 25.690 1.918 0.602 0.909 1.000 0.850 CB 1.327 21 residues pruned to eliminate duplicates Z: 8 3.595 1.522 0.311 0.213 0.857 0.286 N 1.115 Z: 21 20.400 1.742 0.783 0.852 0.900 0.500 CB 1.207 21 residues pruned to eliminate duplicates Z: 6 4.056 1.783 0.608 0.792 0.800 0.600 CB 0.612 6 residues pruned to eliminate duplicates Z: 19 23.446 1.959 0.431 0.921 1.000 1.000 CB 1.388 19 residues pruned to eliminate duplicates Z: 46 29.195 1.791 0.714 0.679 0.933 0.622 CB 1.289 44 residues pruned to eliminate duplicates Z: 20 24.159 1.933 0.706 0.901 1.000 0.895 CB 1.200 20 residues pruned to eliminate duplicates Z: 21 27.327 1.929 0.847 0.906 0.950 0.750 CB 1.284 21 residues pruned to eliminate duplicates Z: 11 3.732 1.590 0.437 0.389 0.500 0.300 N 1.162 Z: 7 3.680 1.797 0.420 0.762 1.000 0.833 CB 0.466 7 residues pruned to eliminate duplicates Z: 7 6.463 1.526 0.697 0.818 0.833 0.667 CB 0.928 Z: 18 12.167 1.797 0.619 0.905 1.000 0.765 CB 0.722 18 residues pruned to eliminate duplicates Z: 7 3.543 1.558 0.389 0.374 0.667 0.333 CB 1.147 Z: 17 15.301 1.642 0.519 0.915 0.938 0.875 CB 1.157 17 residues pruned to eliminate duplicates Z: 20 24.738 1.930 0.868 0.918 1.000 0.842 CB 1.111 20 residues pruned to eliminate duplicates Z: 15 20.042 1.953 0.796 0.755 0.929 0.357 CB 1.310 15 residues pruned to eliminate duplicates Z: 30 16.808 1.799 0.678 0.695 0.828 0.621 CB 1.045 30 residues pruned to eliminate duplicates Z: 18 19.144 1.797 0.470 0.905 1.000 0.941 O 1.251 18 residues pruned to eliminate duplicates Z: 14 12.722 1.836 0.362 0.902 1.000 0.923 CB 1.007 14 residues pruned to eliminate duplicates 6 1.366 1.784 0.152 0.438 0.600 0.600 CB 0.528 ? Z: 20 15.983 1.782 0.697 0.798 0.842 0.684 CB 1.109 20 residues pruned to eliminate duplicates Z: 16 4.884 1.680 0.130 0.421 0.733 0.600 CB 0.983 16 residues pruned to eliminate duplicates Z: 20 28.775 1.939 0.801 0.923 1.000 0.684 CB 1.328 20 residues pruned to eliminate duplicates Z: 17 23.145 1.859 0.963 0.931 1.000 0.625 CB 1.108 17 residues pruned to eliminate duplicates Z: 10 12.321 2.098 0.548 0.915 1.000 0.778 CB 0.893 10 residues pruned to eliminate duplicates Z: 17 16.752 1.977 0.484 0.857 0.812 0.688 CB 1.295 17 residues pruned to eliminate duplicates Z: 13 11.424 1.679 0.492 0.873 1.000 0.583 CB 0.959 13 residues pruned to eliminate duplicates Z: 17 16.034 1.649 0.824 0.868 0.938 0.625 CB 1.039 17 residues pruned to eliminate duplicates Z: 15 12.770 1.809 0.420 0.820 1.000 0.857 CB 1.007 15 residues pruned to eliminate duplicates Z: 19 14.588 1.895 0.274 0.711 0.889 0.722 CB 1.323 19 residues pruned to eliminate duplicates Z: 18 21.262 1.867 0.656 0.849 0.941 0.588 CB 1.314 18 residues pruned to eliminate duplicates Z: 17 28.768 1.918 0.613 0.883 1.000 1.000 CB 1.680 16 residues pruned to eliminate duplicates Z: 11 7.253 1.877 0.502 0.788 0.800 0.700 CB 0.790 10 residues pruned to eliminate duplicates Z: 12 16.567 1.824 0.747 0.858 1.000 0.818 CB 1.155 12 residues pruned to eliminate duplicates Z: 20 29.775 2.038 0.576 0.919 1.000 0.947 CB 1.499 20 residues pruned to eliminate duplicates Z: 6 3.114 1.536 0.249 0.430 0.800 0.400 N 0.975 Z: 14 14.604 1.796 0.404 0.886 0.923 0.923 CB 1.256 14 residues pruned to eliminate duplicates Z: 6 4.348 1.417 0.546 0.549 0.800 0.400 N 1.058 Z: 17 15.633 1.734 0.464 0.865 0.875 0.750 CB 1.289 17 residues pruned to eliminate duplicates Z: 22 25.865 1.923 0.915 0.849 0.952 0.571 CB 1.193 22 residues pruned to eliminate duplicates Z: 21 25.499 1.898 1.051 0.935 0.900 0.750 CB 1.134 21 residues pruned to eliminate duplicates Z: 17 12.111 1.598 0.278 0.856 0.938 0.750 CB 1.167 17 residues pruned to eliminate duplicates Z: 19 26.825 1.964 0.760 0.899 0.944 0.833 CB 1.385 19 residues pruned to eliminate duplicates Z: 14 7.356 1.649 0.593 0.801 0.923 0.692 CB 0.647 14 residues pruned to eliminate duplicates Z: 6 6.335 1.704 0.430 0.794 0.800 0.600 O 1.123 6 residues pruned to eliminate duplicates Z: 16 16.135 1.726 0.553 0.882 1.000 0.667 CB 1.125 16 residues pruned to eliminate duplicates Z: 19 25.407 1.959 0.697 0.923 1.000 0.944 CB 1.266 19 residues pruned to eliminate duplicates Z: 20 24.302 1.906 0.558 0.897 1.000 0.895 CB 1.343 20 residues pruned to eliminate duplicates Z: 8 5.873 1.795 0.172 0.673 0.714 0.571 CB 1.259 8 residues pruned to eliminate duplicates Z: 22 14.296 1.768 0.426 0.858 0.952 0.857 CB 0.957 21 residues pruned to eliminate duplicates Z: 19 20.627 1.868 0.843 0.845 0.889 0.722 CB 1.182 19 residues pruned to eliminate duplicates Z: 20 15.298 1.696 0.340 0.882 0.947 0.789 CB 1.180 20 residues pruned to eliminate duplicates 6 1.231 1.192 0.067 0.349 0.600 0.400 O 0.849 ? Z: 20 24.328 1.923 0.744 0.902 1.000 0.947 CB 1.186 20 residues pruned to eliminate duplicates Z: 13 20.317 1.889 0.757 0.926 1.000 0.917 CB 1.239 13 residues pruned to eliminate duplicates Z: 12 9.854 1.890 0.669 0.537 0.818 0.364 CB 1.110 12 residues pruned to eliminate duplicates Z: 24 23.186 1.899 0.572 0.917 0.913 0.870 CB 1.252 24 residues pruned to eliminate duplicates Z: 21 23.436 1.995 0.839 0.858 0.850 0.700 CB 1.237 20 residues pruned to eliminate duplicates Z: 8 6.299 1.940 0.974 0.847 1.000 0.714 CB 0.461 Z: 6 7.044 1.659 0.903 0.635 1.000 0.800 CB 0.879 Z: 7 4.126 1.678 0.162 0.482 1.000 0.500 CB 0.879 Z: 7 4.471 1.637 1.058 0.629 0.833 0.500 CB 0.576 Z: 15 8.531 1.659 0.706 0.586 0.857 0.429 CB 0.865 15 residues pruned to eliminate duplicates Z: 15 14.503 1.807 0.398 0.896 1.000 0.786 CB 1.099 15 residues pruned to eliminate duplicates Z: 16 17.826 1.847 0.781 0.897 0.933 0.667 CB 1.073 16 residues pruned to eliminate duplicates Z: 17 3.220 1.431 0.476 0.297 0.875 0.500 CB 0.546 Z: 13 19.671 1.779 0.707 0.919 1.000 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 10 10.432 1.625 1.012 0.619 1.000 0.778 CB 0.951 10 residues pruned to eliminate duplicates Z: 12 7.294 1.713 0.522 0.700 0.727 0.455 CB 0.967 12 residues pruned to eliminate duplicates Z: 10 4.548 1.781 0.257 0.722 0.889 0.889 CB 0.623 10 residues pruned to eliminate duplicates Z: 16 16.437 1.655 0.868 0.897 0.933 0.800 CB 1.053 16 residues pruned to eliminate duplicates Z: 7 7.667 1.693 0.367 0.824 0.833 0.333 CB 1.226 7 residues pruned to eliminate duplicates Z: 16 18.057 1.796 0.811 0.663 0.867 0.600 CB 1.422 17 residues pruned to eliminate duplicates Z: 6 2.957 1.602 0.078 0.285 0.800 0.400 CB 1.219 Z: 36 24.324 1.828 0.785 0.834 0.914 0.829 CB 1.033 47 residues pruned to eliminate duplicates Z: 7 6.663 1.669 0.741 0.495 0.833 0.667 N 1.130 7 residues pruned to eliminate duplicates Z: 6 2.449 1.441 0.467 0.474 0.800 0.800 CB 0.665 Z: 17 19.756 1.836 0.951 0.876 0.875 0.625 CB 1.145 17 residues pruned to eliminate duplicates Z: 10 5.983 1.838 0.216 0.708 0.889 0.667 CB 0.831 10 residues pruned to eliminate duplicates Z: 6 2.950 1.537 0.174 0.283 0.800 0.600 CB 1.167 Z: 11 8.277 1.931 0.804 0.906 1.000 0.700 CB 0.534 9 residues pruned to eliminate duplicates Z: 9 10.275 1.922 0.328 0.755 0.875 0.875 CB 1.296 9 residues pruned to eliminate duplicates Z: 6 4.439 1.470 0.345 0.618 0.800 0.400 CB 1.123 Z: 20 25.671 1.961 0.531 0.941 1.000 1.000 CB 1.361 20 residues pruned to eliminate duplicates Z: 13 13.521 2.063 0.553 0.928 1.000 1.000 CB 0.853 13 residues pruned to eliminate duplicates Z: 6 10.132 1.865 1.065 0.823 1.000 1.000 CB 0.889 6 residues pruned to eliminate duplicates Z: 6 3.783 1.506 0.630 0.473 0.800 0.800 CB 0.886 Z: 19 27.594 1.943 0.677 0.897 1.000 0.778 CB 1.428 19 residues pruned to eliminate duplicates 6 1.712 1.734 0.814 0.816 1.000 1.000 CB 0.185 ? Z: 21 15.887 1.772 0.679 0.842 0.900 0.600 CB 0.989 21 residues pruned to eliminate duplicates Z: 7 3.879 1.515 0.376 0.394 0.833 0.500 N 1.020 Z: 14 7.853 1.842 0.263 0.471 0.846 0.615 CB 1.139 14 residues pruned to eliminate duplicates Z: 20 19.736 1.922 0.315 0.885 1.000 0.789 CB 1.293 20 residues pruned to eliminate duplicates Z: 16 20.221 1.852 0.610 0.833 1.000 0.667 CB 1.315 16 residues pruned to eliminate duplicates Z: 11 9.842 1.822 0.531 0.773 0.800 0.700 CB 1.095 11 residues pruned to eliminate duplicates Z: 16 21.300 1.892 0.606 0.924 1.000 0.733 CB 1.271 16 residues pruned to eliminate duplicates Z: 17 21.673 1.891 0.611 0.866 1.000 0.438 CB 1.302 17 residues pruned to eliminate duplicates Z: 14 11.539 1.739 0.285 0.871 1.000 0.923 CB 1.044 14 residues pruned to eliminate duplicates Z: 7 6.162 1.551 0.405 0.854 1.000 0.833 O 0.852 6 residues pruned to eliminate duplicates Z: 17 18.550 1.836 0.773 0.907 0.938 0.625 CB 1.080 17 residues pruned to eliminate duplicates Z: 7 3.796 1.724 0.307 0.836 1.000 1.000 CB 0.515 Z: 6 5.174 1.342 0.217 0.863 1.000 0.800 CB 1.039 Z: 8 3.326 1.332 0.674 0.419 0.714 0.429 N 0.859 Z: 6 3.148 1.157 0.721 0.795 0.800 0.800 CB 0.682 7 1.160 1.233 0.123 0.393 0.667 0.333 CB 0.574 ? Z: 16 14.998 1.897 0.473 0.775 0.867 0.800 CB 1.254 16 residues pruned to eliminate duplicates Z: 14 12.293 1.856 0.634 0.872 0.923 0.769 CB 0.888 14 residues pruned to eliminate duplicates Z: 8 6.725 1.583 0.837 0.848 0.857 0.714 CB 0.757 7 residues pruned to eliminate duplicates Z: 7 2.926 1.551 -0.015 0.623 1.000 0.833 CB 0.696 Z: 18 15.554 1.713 0.623 0.832 0.941 0.529 CB 1.082 16 residues pruned to eliminate duplicates Z: 14 14.960 1.912 0.539 0.867 1.000 0.846 CB 1.032 14 residues pruned to eliminate duplicates Z: 6 2.259 1.510 0.277 0.279 0.800 0.400 CB 0.840 Z: 17 16.269 1.870 0.102 0.887 1.000 0.875 CB 1.423 17 residues pruned to eliminate duplicates Z: 6 2.413 1.632 -0.039 0.759 1.000 0.600 CB 0.547 7 residues pruned to eliminate duplicates Z: 8 2.442 1.368 0.303 0.695 0.857 0.714 CB 0.505 Z: 16 17.434 1.780 1.098 0.664 0.867 0.467 CB 1.195 16 residues pruned to eliminate duplicates Z: 8 4.899 1.500 0.751 0.390 0.857 0.714 CB 0.924 8 residues pruned to eliminate duplicates Z: 20 15.974 1.799 0.478 0.927 1.000 1.000 CB 0.966 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 3.865 1.578 0.222 0.541 0.833 0.333 CB 0.943 7 residues pruned to eliminate duplicates Z: 22 20.937 1.959 0.648 0.697 0.857 0.667 CB 1.379 22 residues pruned to eliminate duplicates Z: 17 15.081 1.896 0.667 0.759 0.875 0.625 CB 1.083 17 residues pruned to eliminate duplicates Z: 20 13.888 1.792 0.628 0.651 0.842 0.526 CB 1.127 20 residues pruned to eliminate duplicates Z: 18 14.933 1.837 0.689 0.727 0.941 0.529 CB 1.010 19 residues pruned to eliminate duplicates Z: 24 29.134 1.962 0.640 0.913 1.000 0.870 CB 1.336 24 residues pruned to eliminate duplicates Z: 24 28.395 1.946 0.768 0.919 0.957 0.739 CB 1.268 24 residues pruned to eliminate duplicates Z: 21 17.173 1.750 0.792 0.668 0.850 0.550 CB 1.233 21 residues pruned to eliminate duplicates Z: 33 17.913 1.851 0.507 0.640 0.844 0.562 CB 1.180 33 residues pruned to eliminate duplicates Z: 26 23.864 1.947 0.654 0.806 0.920 0.840 CB 1.234 26 residues pruned to eliminate duplicates Z: 26 25.068 1.991 0.824 0.768 0.880 0.720 CB 1.238 26 residues pruned to eliminate duplicates Z: 27 23.379 1.990 0.551 0.736 0.885 0.577 CB 1.359 27 residues pruned to eliminate duplicates Z: 25 25.927 2.017 0.802 0.798 0.917 0.625 CB 1.224 25 residues pruned to eliminate duplicates Z: 23 18.411 1.971 0.672 0.651 0.864 0.545 CB 1.199 23 residues pruned to eliminate duplicates Z: 26 22.717 1.962 0.728 0.788 0.920 0.640 CB 1.131 26 residues pruned to eliminate duplicates Z: 25 25.859 2.000 0.862 0.786 0.875 0.625 CB 1.260 25 residues pruned to eliminate duplicates Z: 24 24.607 1.983 0.662 0.846 0.957 0.696 CB 1.210 24 residues pruned to eliminate duplicates Z: 28 23.005 1.910 0.799 0.769 0.889 0.704 CB 1.141 28 residues pruned to eliminate duplicates Z: 17 20.547 2.002 0.721 0.805 1.000 0.875 CB 1.142 17 residues pruned to eliminate duplicates Z: 17 20.425 1.986 1.117 0.811 0.938 0.688 CB 0.988 17 residues pruned to eliminate duplicates Z: 25 24.586 1.994 0.958 0.850 0.875 0.667 CB 1.089 25 residues pruned to eliminate duplicates Z: 16 29.210 2.114 1.013 0.938 1.000 0.867 CB 1.233 16 residues pruned to eliminate duplicates Z: 23 16.348 1.956 0.528 0.769 0.864 0.727 CB 1.064 23 residues pruned to eliminate duplicates Z: 21 19.707 2.071 0.629 0.808 0.950 0.800 CB 1.051 21 residues pruned to eliminate duplicates Z: 16 16.624 2.007 0.507 0.836 0.933 0.867 CB 1.139 16 residues pruned to eliminate duplicates Z: 19 15.045 2.017 0.440 0.849 0.944 0.833 CB 0.958 19 residues pruned to eliminate duplicates Z: 12 10.895 1.750 0.752 0.557 0.909 0.455 N 1.114 14 residues pruned to eliminate duplicates Z: 17 21.405 2.060 0.645 0.897 1.000 0.875 CB 1.131 17 residues pruned to eliminate duplicates Z: 18 23.078 2.060 0.869 0.860 0.941 0.765 CB 1.136 18 residues pruned to eliminate duplicates Z: 25 18.499 1.923 0.667 0.650 0.917 0.583 CB 1.118 25 residues pruned to eliminate duplicates Z: 19 19.963 2.013 0.878 0.855 0.944 0.722 CB 0.973 19 residues pruned to eliminate duplicates Z: 20 19.675 2.053 0.696 0.756 0.895 0.789 CB 1.154 20 residues pruned to eliminate duplicates Z: 15 10.837 1.969 0.739 0.633 0.857 0.571 CB 0.871 15 residues pruned to eliminate duplicates Z: 21 23.766 2.064 0.718 0.812 0.950 0.800 CB 1.202 20 residues pruned to eliminate duplicates Z: 19 24.438 1.994 0.693 0.911 0.944 0.778 CB 1.281 19 residues pruned to eliminate duplicates Z: 20 23.293 2.101 0.765 0.791 0.947 0.789 CB 1.179 20 residues pruned to eliminate duplicates Z: 18 20.685 2.074 0.595 0.858 0.941 0.882 CB 1.187 18 residues pruned to eliminate duplicates Z: 21 22.102 2.080 0.698 0.742 0.950 0.750 CB 1.186 21 residues pruned to eliminate duplicates Z: 18 28.641 2.080 0.910 0.923 1.000 0.941 CB 1.228 18 residues pruned to eliminate duplicates Z: 19 27.197 2.047 0.795 0.917 1.000 0.833 CB 1.231 18 residues pruned to eliminate duplicates Z: 12 16.388 1.852 1.014 0.870 0.909 0.636 CB 1.063 12 residues pruned to eliminate duplicates Z: 13 10.314 1.733 0.510 0.672 1.000 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 10 11.862 1.893 0.810 0.750 0.889 0.444 CB 1.039 10 residues pruned to eliminate duplicates Z: 16 12.003 1.808 0.614 0.705 0.867 0.667 CB 1.017 16 residues pruned to eliminate duplicates Z: 14 15.992 1.856 0.795 0.908 0.923 0.769 CB 1.025 14 residues pruned to eliminate duplicates Z: 13 14.934 1.896 0.749 0.879 0.917 0.583 CB 1.028 13 residues pruned to eliminate duplicates Z: 19 12.943 1.775 0.413 0.716 0.889 0.444 CB 1.125 19 residues pruned to eliminate duplicates Z: 18 13.564 1.796 0.603 0.702 0.824 0.471 CB 1.155 18 residues pruned to eliminate duplicates Z: 15 15.535 1.824 0.618 0.856 0.929 0.714 CB 1.118 15 residues pruned to eliminate duplicates Z: 35 26.135 1.878 0.986 0.816 0.971 0.500 CB 0.941 40 residues pruned to eliminate duplicates Z: 19 16.289 1.750 0.677 0.877 0.889 0.778 CB 1.069 18 residues pruned to eliminate duplicates Z: 18 17.053 1.849 0.684 0.840 0.882 0.647 CB 1.123 18 residues pruned to eliminate duplicates Z: 17 19.810 1.895 0.639 0.914 1.000 0.625 CB 1.128 18 residues pruned to eliminate duplicates Z: 17 18.158 1.847 0.745 0.911 1.000 0.750 CB 0.998 17 residues pruned to eliminate duplicates Z: 16 16.530 1.862 0.637 0.911 1.000 0.867 CB 0.992 16 residues pruned to eliminate duplicates Z: 9 4.387 1.513 0.414 0.763 0.875 0.375 CB 0.656 9 residues pruned to eliminate duplicates Z: 7 8.515 1.661 0.404 0.834 1.000 0.500 CB 1.118 7 residues pruned to eliminate duplicates Z: 9 5.401 1.670 0.605 0.774 0.875 0.750 CB 0.639 9 residues pruned to eliminate duplicates Z: 17 13.566 1.819 0.599 0.820 0.875 0.625 CB 1.010 18 residues pruned to eliminate duplicates Z: 18 15.070 1.817 0.732 0.913 1.000 0.765 CB 0.822 18 residues pruned to eliminate duplicates Z: 9 5.865 1.730 0.690 0.599 0.875 0.500 CB 0.737 9 residues pruned to eliminate duplicates Z: 32 17.308 1.817 0.619 0.698 0.903 0.548 CB 0.977 32 residues pruned to eliminate duplicates Z: 17 15.770 1.840 0.640 0.873 1.000 0.750 CB 0.952 17 residues pruned to eliminate duplicates Z: 23 9.316 1.678 0.589 0.546 0.864 0.682 CB 0.825 23 residues pruned to eliminate duplicates Z: 15 14.200 1.829 0.859 0.771 0.929 0.786 CB 0.946 15 residues pruned to eliminate duplicates Z: 16 16.789 1.862 0.767 0.895 1.000 0.867 CB 0.945 16 residues pruned to eliminate duplicates Z: 17 12.510 1.837 0.737 0.700 0.938 0.500 CB 0.871 17 residues pruned to eliminate duplicates Z: 34 16.555 1.766 0.551 0.696 0.879 0.545 CB 1.001 34 residues pruned to eliminate duplicates Z: 16 15.452 1.866 0.739 0.932 0.933 0.800 CB 0.920 16 residues pruned to eliminate duplicates Z: 17 13.311 1.813 0.769 0.743 0.938 0.688 CB 0.890 17 residues pruned to eliminate duplicates Z: 15 15.416 1.814 0.713 0.882 0.929 0.643 CB 1.034 15 residues pruned to eliminate duplicates Z: 15 22.730 2.049 0.293 0.877 1.000 0.857 CB 1.665 15 residues pruned to eliminate duplicates Z: 15 21.728 2.018 0.278 0.912 1.000 1.000 O 1.594 15 residues pruned to eliminate duplicates Z: 41 28.938 1.936 0.602 0.702 0.925 0.600 CB 1.327 38 residues pruned to eliminate duplicates Z: 18 23.440 1.709 0.638 0.890 1.000 0.824 O 1.461 18 residues pruned to eliminate duplicates Z: 16 20.670 2.028 0.737 0.724 0.867 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 20 17.663 1.900 0.487 0.697 0.895 0.737 CB 1.339 20 residues pruned to eliminate duplicates Z: 38 32.446 1.974 0.599 0.747 0.946 0.784 CB 1.433 38 residues pruned to eliminate duplicates Z: 18 26.829 1.872 0.601 0.895 1.000 1.000 CB 1.557 17 residues pruned to eliminate duplicates Z: 16 24.983 1.931 0.525 0.898 1.000 0.933 CB 1.566 16 residues pruned to eliminate duplicates Z: 15 25.145 1.932 1.024 0.814 0.857 0.786 CB 1.526 15 residues pruned to eliminate duplicates Z: 37 34.751 1.998 0.786 0.755 0.889 0.722 CB 1.454 37 residues pruned to eliminate duplicates Z: 14 28.402 2.037 0.827 0.889 0.923 0.846 CB 1.650 14 residues pruned to eliminate duplicates Z: 38 35.986 1.976 0.790 0.762 0.973 0.784 CB 1.362 39 residues pruned to eliminate duplicates Z: 18 29.079 1.869 0.659 0.905 1.000 0.882 CB 1.619 17 residues pruned to eliminate duplicates Z: 13 20.471 1.919 0.529 0.887 1.000 0.750 CB 1.452 11 residues pruned to eliminate duplicates Z: 17 25.973 1.912 0.728 0.919 0.938 0.812 CB 1.478 18 residues pruned to eliminate duplicates Z: 17 29.799 1.897 0.970 0.887 0.938 0.688 CB 1.532 17 residues pruned to eliminate duplicates Z: 18 18.258 1.844 0.641 0.895 0.941 0.824 CB 1.114 18 residues pruned to eliminate duplicates Z: 36 24.164 1.936 0.587 0.667 0.800 0.629 CB 1.423 43 residues pruned to eliminate duplicates Z: 15 22.515 1.988 0.670 0.919 1.000 1.000 CB 1.277 15 residues pruned to eliminate duplicates Z: 19 13.988 1.941 0.575 0.612 0.833 0.778 CB 1.164 19 residues pruned to eliminate duplicates Z: 12 18.249 2.103 0.579 0.844 0.818 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 38 23.975 1.911 0.581 0.673 0.892 0.676 CB 1.247 37 residues pruned to eliminate duplicates Z: 15 21.979 2.016 0.837 0.870 0.929 0.857 CB 1.246 15 residues pruned to eliminate duplicates Z: 36 24.022 1.943 0.739 0.753 0.857 0.629 CB 1.118 36 residues pruned to eliminate duplicates Z: 21 16.329 1.823 0.849 0.724 0.750 0.600 CB 1.180 21 residues pruned to eliminate duplicates Z: 11 15.149 1.805 0.835 0.649 0.900 0.300 CB 1.398 11 residues pruned to eliminate duplicates Z: 19 21.867 1.997 0.736 0.768 0.889 0.556 CB 1.318 19 residues pruned to eliminate duplicates Z: 11 25.565 2.216 0.680 0.898 1.000 0.800 CB 1.553 12 residues pruned to eliminate duplicates Z: 20 22.264 1.853 0.609 0.885 0.947 0.947 CB 1.306 20 residues pruned to eliminate duplicates Z: 14 17.801 1.988 0.490 0.817 0.846 0.615 N 1.495 14 residues pruned to eliminate duplicates Z: 40 33.162 1.932 0.701 0.849 0.974 0.692 CB 1.230 42 residues pruned to eliminate duplicates Z: 19 21.581 1.934 0.529 0.918 1.000 0.833 CB 1.213 19 residues pruned to eliminate duplicates Z: 12 23.850 2.138 0.787 0.813 0.909 0.727 CB 1.576 12 residues pruned to eliminate duplicates Z: 18 15.596 2.024 0.787 0.554 0.765 0.529 CB 1.298 18 residues pruned to eliminate duplicates Z: 16 20.478 2.008 0.646 0.831 0.933 0.800 CB 1.288 16 residues pruned to eliminate duplicates Z: 16 23.993 2.022 0.776 0.845 0.933 0.800 CB 1.375 16 residues pruned to eliminate duplicates Z: 29 24.257 1.940 0.846 0.737 0.893 0.679 CB 1.159 30 residues pruned to eliminate duplicates Z: 19 28.229 1.918 0.872 0.927 1.000 0.889 CB 1.299 19 residues pruned to eliminate duplicates Z: 35 33.254 2.016 0.950 0.814 0.971 0.735 CB 1.137 33 residues pruned to eliminate duplicates Z: 18 28.162 1.965 0.844 0.898 1.000 0.882 CB 1.348 18 residues pruned to eliminate duplicates Z: 8 7.465 1.730 0.132 0.713 1.000 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 31 27.314 1.994 0.926 0.729 0.833 0.533 CB 1.267 31 residues pruned to eliminate duplicates Z: 41 29.442 1.940 0.852 0.772 0.950 0.625 CB 1.073 41 residues pruned to eliminate duplicates Z: 20 13.845 1.846 0.662 0.529 0.842 0.579 CB 1.195 20 residues pruned to eliminate duplicates Z: 18 23.209 1.971 0.667 0.760 1.000 0.706 CB 1.360 21 residues pruned to eliminate duplicates Z: 22 27.622 1.977 0.619 0.901 0.952 0.857 CB 1.411 22 residues pruned to eliminate duplicates Z: 19 20.569 1.959 0.756 0.716 0.889 0.722 CB 1.304 19 residues pruned to eliminate duplicates Z: 54 33.438 1.902 0.676 0.772 0.943 0.660 CB 1.201 55 residues pruned to eliminate duplicates Z: 22 30.637 1.975 0.721 0.890 1.000 0.714 CB 1.415 22 residues pruned to eliminate duplicates Z: 20 22.298 1.929 0.689 0.682 0.895 0.579 CB 1.485 20 residues pruned to eliminate duplicates Z: 18 17.759 1.934 0.484 0.689 0.941 0.588 CB 1.341 18 residues pruned to eliminate duplicates Z: 24 24.113 1.928 0.658 0.764 0.957 0.652 CB 1.301 24 residues pruned to eliminate duplicates Z: 23 28.880 1.947 0.779 0.791 1.000 0.818 CB 1.377 23 residues pruned to eliminate duplicates Z: 18 22.787 1.951 0.706 0.754 1.000 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 20 10.614 1.726 0.685 0.490 0.789 0.579 CB 1.072 20 residues pruned to eliminate duplicates Z: 23 25.093 1.988 0.620 0.831 0.955 0.909 CB 1.307 23 residues pruned to eliminate duplicates Z: 25 26.003 1.943 0.853 0.756 0.917 0.625 CB 1.281 25 residues pruned to eliminate duplicates Z: 24 23.212 1.945 0.922 0.788 0.913 0.565 CB 1.101 24 residues pruned to eliminate duplicates Z: 25 23.646 1.940 0.828 0.782 0.958 0.708 CB 1.107 25 residues pruned to eliminate duplicates Z: 14 14.495 1.765 1.077 0.584 1.000 0.692 CB 1.011 14 residues pruned to eliminate duplicates Z: 12 19.876 1.849 1.255 0.690 1.000 0.727 CB 1.208 12 residues pruned to eliminate duplicates Z: 10 20.237 1.963 1.262 0.787 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 21 22.138 1.981 0.549 0.823 0.900 0.650 CB 1.354 21 residues pruned to eliminate duplicates Z: 20 24.132 1.938 0.488 0.792 0.947 0.737 CB 1.569 20 residues pruned to eliminate duplicates Z: 43 29.129 1.967 0.729 0.717 0.857 0.595 CB 1.267 44 residues pruned to eliminate duplicates Z: 20 27.663 1.940 0.676 0.865 1.000 0.737 CB 1.430 20 residues pruned to eliminate duplicates Z: 20 26.774 2.033 0.670 0.768 0.947 0.684 CB 1.506 20 residues pruned to eliminate duplicates Z: 29 28.925 2.072 0.777 0.771 0.893 0.679 CB 1.308 29 residues pruned to eliminate duplicates Z: 34 28.982 2.005 0.894 0.763 0.909 0.636 CB 1.157 34 residues pruned to eliminate duplicates Z: 45 28.955 1.954 0.734 0.663 0.841 0.591 CB 1.317 45 residues pruned to eliminate duplicates Z: 21 26.022 2.014 0.686 0.736 0.900 0.700 CB 1.539 21 residues pruned to eliminate duplicates Z: 38 37.709 2.030 0.877 0.772 0.946 0.568 CB 1.351 38 residues pruned to eliminate duplicates Z: 31 31.824 2.042 0.883 0.731 0.900 0.567 CB 1.363 31 residues pruned to eliminate duplicates Z: 38 33.726 2.057 0.888 0.776 0.892 0.649 CB 1.254 38 residues pruned to eliminate duplicates Z: 20 26.398 2.083 0.670 0.793 0.895 0.684 CB 1.505 20 residues pruned to eliminate duplicates Z: 21 26.949 2.018 0.652 0.801 0.900 0.700 CB 1.545 21 residues pruned to eliminate duplicates Z: 19 27.239 2.123 0.687 0.811 0.889 0.667 CB 1.538 19 residues pruned to eliminate duplicates Z: 21 28.173 2.056 0.824 0.772 0.900 0.700 CB 1.467 22 residues pruned to eliminate duplicates Z: 20 27.982 2.022 0.685 0.848 0.947 0.684 CB 1.475 20 residues pruned to eliminate duplicates Z: 38 39.085 2.013 1.075 0.801 0.892 0.676 CB 1.326 37 residues pruned to eliminate duplicates Z: 9 14.975 1.991 0.446 0.786 0.875 0.500 CB 1.634 9 residues pruned to eliminate duplicates Z: 18 14.827 1.892 0.445 0.655 0.941 0.588 CB 1.210 18 residues pruned to eliminate duplicates Z: 10 10.889 1.960 0.308 0.620 0.889 0.556 CB 1.422 10 residues pruned to eliminate duplicates Z: 16 12.968 1.951 0.301 0.673 0.867 0.533 CB 1.297 16 residues pruned to eliminate duplicates Z: 13 19.632 1.981 0.424 0.830 1.000 0.833 CB 1.511 13 residues pruned to eliminate duplicates Z: 12 16.980 2.007 0.506 0.764 0.909 0.818 CB 1.474 12 residues pruned to eliminate duplicates Z: 11 12.782 1.885 0.562 0.780 0.800 0.800 CB 1.341 11 residues pruned to eliminate duplicates Z: 12 15.834 1.994 0.390 0.836 0.909 0.727 CB 1.418 12 residues pruned to eliminate duplicates Z: 16 21.040 1.937 0.575 0.867 1.000 0.733 CB 1.303 16 residues pruned to eliminate duplicates Z: 15 25.689 1.986 0.728 0.901 1.000 0.714 CB 1.428 14 residues pruned to eliminate duplicates Z: 13 19.755 1.949 0.742 0.891 1.000 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 38 25.228 1.874 0.514 0.732 0.973 0.622 CB 1.220 34 residues pruned to eliminate duplicates Z: 16 22.870 1.958 0.723 0.858 1.000 0.733 CB 1.289 15 residues pruned to eliminate duplicates Z: 16 27.760 1.983 0.865 0.891 1.000 0.867 CB 1.393 17 residues pruned to eliminate duplicates Z: 22 23.288 1.972 0.521 0.891 1.000 0.810 CB 1.219 22 residues pruned to eliminate duplicates Z: 13 11.786 1.939 0.184 0.803 0.833 0.750 CB 1.365 13 residues pruned to eliminate duplicates Z: 19 11.976 1.891 0.278 0.570 0.944 0.667 CB 1.156 14 residues pruned to eliminate duplicates Z: 16 18.825 2.002 0.631 0.888 0.867 0.800 CB 1.237 16 residues pruned to eliminate duplicates Z: 27 17.968 1.942 0.530 0.774 0.923 0.769 CB 1.009 27 residues pruned to eliminate duplicates Z: 22 23.279 1.953 0.646 0.876 0.905 0.714 CB 1.269 22 residues pruned to eliminate duplicates Z: 13 9.845 1.926 0.316 0.626 0.917 0.833 CB 1.087 13 residues pruned to eliminate duplicates Z: 16 16.316 1.874 0.580 0.732 0.867 0.667 CB 1.333 18 residues pruned to eliminate duplicates Z: 22 22.477 2.004 0.603 0.848 0.905 0.714 CB 1.252 22 residues pruned to eliminate duplicates Z: 21 22.292 1.895 0.935 0.794 0.950 0.700 CB 1.107 21 residues pruned to eliminate duplicates Z: 27 20.451 1.904 0.645 0.709 0.923 0.654 CB 1.148 27 residues pruned to eliminate duplicates Z: 20 21.380 1.944 0.839 0.759 0.947 0.632 CB 1.150 20 residues pruned to eliminate duplicates Z: 28 22.786 1.943 0.786 0.727 0.926 0.519 CB 1.113 28 residues pruned to eliminate duplicates Z: 27 27.808 1.992 0.947 0.756 0.962 0.654 CB 1.165 27 residues pruned to eliminate duplicates Z: 25 25.700 1.976 0.774 0.780 0.958 0.667 CB 1.220 25 residues pruned to eliminate duplicates Z: 29 20.717 1.911 0.819 0.694 0.964 0.464 CB 0.978 29 residues pruned to eliminate duplicates Z: 24 24.512 1.972 0.951 0.803 0.826 0.696 CB 1.234 24 residues pruned to eliminate duplicates Z: 26 27.050 2.003 1.002 0.739 0.920 0.600 CB 1.184 27 residues pruned to eliminate duplicates Z: 21 28.039 1.940 1.149 0.887 0.850 0.600 CB 1.275 21 residues pruned to eliminate duplicates Z: 26 20.704 1.880 0.790 0.738 0.880 0.640 CB 1.129 24 residues pruned to eliminate duplicates Z: 21 28.437 1.962 0.927 0.912 0.950 0.900 CB 1.254 21 residues pruned to eliminate duplicates Z: 39 24.124 1.732 0.569 0.813 0.974 0.789 CB 1.127 51 residues pruned to eliminate duplicates Z: 16 16.652 1.732 0.395 0.914 0.933 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 15 15.806 1.750 0.312 0.862 1.000 0.643 CB 1.351 15 residues pruned to eliminate duplicates Z: 14 16.138 1.762 0.361 0.845 1.000 0.846 CB 1.388 14 residues pruned to eliminate duplicates Z: 36 24.951 1.752 0.617 0.803 0.943 0.571 CB 1.212 36 residues pruned to eliminate duplicates Z: 17 15.958 1.723 0.424 0.838 1.000 0.812 CB 1.215 17 residues pruned to eliminate duplicates Z: 11 9.292 1.682 0.293 0.683 0.900 0.800 CB 1.270 11 residues pruned to eliminate duplicates Z: 17 14.736 1.687 0.364 0.820 0.938 0.812 CB 1.295 17 residues pruned to eliminate duplicates Z: 36 25.696 1.790 0.624 0.778 0.971 0.829 CB 1.204 36 residues pruned to eliminate duplicates Z: 16 14.846 1.697 0.396 0.812 1.000 0.733 CB 1.232 16 residues pruned to eliminate duplicates Z: 16 18.243 1.758 0.628 0.822 0.933 0.867 CB 1.334 16 residues pruned to eliminate duplicates Z: 17 16.681 1.726 0.520 0.834 0.938 0.812 CB 1.271 17 residues pruned to eliminate duplicates Z: 17 15.545 1.688 0.510 0.791 0.938 0.812 CB 1.261 17 residues pruned to eliminate duplicates Z: 18 17.456 1.697 0.544 0.818 0.941 0.824 CB 1.302 18 residues pruned to eliminate duplicates Z: 9 4.135 1.745 0.457 0.524 0.625 0.500 CB 0.898 9 residues pruned to eliminate duplicates Z: 16 12.170 1.799 0.664 0.578 0.933 0.600 CB 1.043 16 residues pruned to eliminate duplicates Z: 16 10.417 1.748 0.450 0.553 0.933 0.533 CB 1.079 16 residues pruned to eliminate duplicates Z: 14 10.772 1.768 0.794 0.603 0.923 0.538 CB 0.925 14 residues pruned to eliminate duplicates Z: 6 6.668 1.838 0.777 0.829 1.000 0.600 CB 0.687 6 residues pruned to eliminate duplicates Z: 12 10.221 1.813 0.351 0.693 0.818 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 12 16.321 1.847 0.633 0.685 1.000 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 16 14.892 1.734 0.694 0.690 0.800 0.600 CB 1.375 16 residues pruned to eliminate duplicates Z: 13 13.187 1.804 0.480 0.808 0.917 0.833 O 1.189 13 residues pruned to eliminate duplicates Z: 12 12.815 1.823 0.374 0.830 0.909 0.636 O 1.276 12 residues pruned to eliminate duplicates Z: 12 10.720 1.716 0.577 0.585 0.909 0.545 CB 1.211 12 residues pruned to eliminate duplicates Z: 38 22.320 1.869 0.789 0.707 0.865 0.541 CB 1.051 38 residues pruned to eliminate duplicates Z: 29 25.708 2.009 0.800 0.833 0.893 0.714 CB 1.129 29 residues pruned to eliminate duplicates Z: 20 13.532 1.774 0.843 0.488 0.895 0.421 CB 1.075 20 residues pruned to eliminate duplicates Z: 43 30.053 1.897 0.806 0.790 0.952 0.595 CB 1.102 43 residues pruned to eliminate duplicates Z: 39 28.811 1.905 1.000 0.848 0.895 0.447 CB 1.017 39 residues pruned to eliminate duplicates Z: 30 25.231 1.871 0.787 0.756 0.931 0.448 CB 1.198 31 residues pruned to eliminate duplicates Z: 18 24.053 1.885 0.727 0.883 1.000 0.471 CB 1.295 18 residues pruned to eliminate duplicates Z: 21 19.802 1.708 0.800 0.886 0.900 0.700 CB 1.154 20 residues pruned to eliminate duplicates Z: 22 22.315 1.754 0.823 0.830 0.952 0.619 CB 1.203 22 residues pruned to eliminate duplicates Z: 21 22.066 1.772 0.685 0.747 0.950 0.750 CB 1.395 21 residues pruned to eliminate duplicates Z: 42 33.309 1.916 0.878 0.798 0.951 0.683 CB 1.171 40 residues pruned to eliminate duplicates Z: 17 17.971 1.839 0.651 0.924 0.938 0.500 CB 1.109 17 residues pruned to eliminate duplicates Z: 19 23.720 1.820 0.781 0.917 0.944 0.500 CB 1.289 19 residues pruned to eliminate duplicates Z: 21 15.933 1.856 0.561 0.826 0.900 0.800 CB 1.030 21 residues pruned to eliminate duplicates Z: 7 4.763 1.744 0.311 0.516 0.667 0.333 CB 1.256 7 residues pruned to eliminate duplicates Z: 6 7.826 1.771 0.577 0.859 1.000 1.000 CB 0.922 6 residues pruned to eliminate duplicates Z: 18 16.775 1.907 0.509 0.835 0.882 0.824 CB 1.201 18 residues pruned to eliminate duplicates Z: 19 21.797 1.932 0.476 0.921 1.000 0.944 CB 1.268 19 residues pruned to eliminate duplicates Z: 21 24.892 1.925 0.655 0.945 1.000 0.900 CB 1.209 20 residues pruned to eliminate duplicates Z: 20 19.092 1.838 0.587 0.940 0.947 0.895 CB 1.100 20 residues pruned to eliminate duplicates Z: 16 18.261 1.977 0.691 0.854 0.933 0.733 CB 1.116 16 residues pruned to eliminate duplicates Z: 16 20.605 1.986 0.926 0.819 0.933 0.667 CB 1.130 16 residues pruned to eliminate duplicates Z: 21 21.912 1.949 0.898 0.864 0.950 0.800 CB 1.022 21 residues pruned to eliminate duplicates Z: 24 20.258 1.807 0.915 0.683 0.870 0.565 CB 1.187 24 residues pruned to eliminate duplicates Z: 23 19.731 1.866 0.760 0.758 0.864 0.636 CB 1.180 23 residues pruned to eliminate duplicates Z: 22 24.980 1.952 0.900 0.827 0.905 0.714 CB 1.225 22 residues pruned to eliminate duplicates Z: 15 21.511 2.011 0.935 0.792 0.929 0.357 CB 1.232 15 residues pruned to eliminate duplicates Z: 18 17.908 1.839 0.852 0.676 0.941 0.471 CB 1.152 18 residues pruned to eliminate duplicates Z: 25 20.611 1.868 0.737 0.717 0.833 0.708 CB 1.278 25 residues pruned to eliminate duplicates Z: 19 18.678 1.915 0.886 0.613 0.833 0.500 CB 1.314 19 residues pruned to eliminate duplicates Z: 33 21.731 1.872 0.768 0.767 0.875 0.562 CB 1.047 34 residues pruned to eliminate duplicates Z: 17 13.741 1.832 0.473 0.860 1.000 0.875 CB 0.936 17 residues pruned to eliminate duplicates Z: 31 24.053 1.858 0.799 0.797 0.900 0.633 CB 1.126 31 residues pruned to eliminate duplicates Z: 14 11.785 1.838 0.512 0.825 0.923 0.923 CB 0.962 14 residues pruned to eliminate duplicates Z: 37 27.229 1.889 0.701 0.840 0.972 0.750 CB 1.084 37 residues pruned to eliminate duplicates Z: 12 11.621 1.881 0.854 0.813 0.909 0.727 CB 0.842 12 residues pruned to eliminate duplicates Z: 33 27.168 1.912 0.880 0.790 0.969 0.625 CB 1.069 32 residues pruned to eliminate duplicates Z: 20 12.586 1.722 0.592 0.786 0.842 0.474 CB 0.973 20 residues pruned to eliminate duplicates Z: 38 24.434 1.900 0.717 0.791 0.946 0.622 CB 1.008 38 residues pruned to eliminate duplicates Z: 9 10.014 1.825 0.637 0.901 1.000 0.875 CB 0.846 9 residues pruned to eliminate duplicates Z: 9 6.911 1.861 0.563 0.661 0.750 0.750 CB 0.965 9 residues pruned to eliminate duplicates Z: 35 20.966 1.861 0.775 0.715 0.853 0.618 CB 1.050 35 residues pruned to eliminate duplicates Z: 21 17.626 1.816 0.697 0.711 0.850 0.600 CB 1.242 21 residues pruned to eliminate duplicates Z: 32 20.474 1.871 0.776 0.740 0.903 0.613 CB 0.988 32 residues pruned to eliminate duplicates Z: 31 24.816 1.924 0.851 0.776 0.933 0.500 CB 1.068 31 residues pruned to eliminate duplicates Z: 40 26.161 1.874 0.674 0.831 0.923 0.718 CB 1.087 39 residues pruned to eliminate duplicates Z: 21 16.209 1.694 0.508 0.698 1.000 0.600 CB 1.184 21 residues pruned to eliminate duplicates Z: 19 16.774 1.855 0.539 0.801 0.944 0.611 CB 1.127 18 residues pruned to eliminate duplicates Z: 17 15.421 1.779 0.708 0.868 0.938 0.688 CB 0.990 17 residues pruned to eliminate duplicates Z: 15 17.423 1.965 0.320 0.897 0.929 0.857 CB 1.383 15 residues pruned to eliminate duplicates Z: 12 7.793 1.797 0.309 0.504 0.909 0.455 CB 1.095 12 residues pruned to eliminate duplicates Z: 16 18.143 1.955 0.406 0.815 0.933 0.733 CB 1.388 16 residues pruned to eliminate duplicates Z: 19 17.092 1.894 0.417 0.779 0.833 0.833 CB 1.409 19 residues pruned to eliminate duplicates Z: 16 21.076 1.964 0.394 0.842 1.000 0.800 CB 1.482 16 residues pruned to eliminate duplicates Z: 15 18.326 1.892 0.333 0.924 1.000 0.857 CB 1.365 15 residues pruned to eliminate duplicates Z: 15 19.562 2.006 0.272 0.889 1.000 0.857 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 19.732 1.963 0.528 0.858 1.000 0.714 CB 1.294 15 residues pruned to eliminate duplicates Z: 17 19.298 1.972 0.328 0.821 1.000 0.750 CB 1.394 17 residues pruned to eliminate duplicates Z: 16 17.933 1.957 0.353 0.835 0.933 0.667 CB 1.403 16 residues pruned to eliminate duplicates Z: 16 21.888 1.964 0.465 0.884 1.000 0.800 CB 1.420 16 residues pruned to eliminate duplicates Z: 17 20.560 1.957 0.353 0.846 1.000 0.875 CB 1.443 17 residues pruned to eliminate duplicates Z: 16 18.081 1.957 0.462 0.824 0.933 0.867 CB 1.321 16 residues pruned to eliminate duplicates Z: 17 18.311 1.892 0.411 0.819 0.938 0.812 CB 1.386 17 residues pruned to eliminate duplicates Z: 16 21.101 1.911 0.431 0.912 1.000 0.733 CB 1.412 16 residues pruned to eliminate duplicates Z: 15 17.472 1.937 0.347 0.909 1.000 1.000 CB 1.271 15 residues pruned to eliminate duplicates Z: 25 9.110 1.754 0.425 0.498 0.833 0.667 CB 0.895 25 residues pruned to eliminate duplicates Z: 16 12.928 1.853 0.387 0.763 0.933 0.667 CB 1.101 16 residues pruned to eliminate duplicates Z: 16 9.529 1.876 0.225 0.781 0.867 0.800 CB 0.964 16 residues pruned to eliminate duplicates Z: 12 14.175 1.920 0.405 0.871 1.000 0.818 CB 1.156 12 residues pruned to eliminate duplicates Z: 13 7.152 1.841 0.128 0.646 0.833 0.583 CB 1.041 13 residues pruned to eliminate duplicates Z: 14 13.903 1.889 0.373 0.846 0.923 0.769 CB 1.197 14 residues pruned to eliminate duplicates Z: 15 13.489 1.896 0.275 0.826 0.929 0.714 CB 1.211 15 residues pruned to eliminate duplicates Z: 24 8.776 1.768 0.279 0.583 0.783 0.435 CB 0.955 24 residues pruned to eliminate duplicates Z: 14 13.121 1.875 0.433 0.857 0.923 0.769 CB 1.082 14 residues pruned to eliminate duplicates Z: 18 11.467 1.836 0.414 0.730 0.941 0.765 CB 0.926 18 residues pruned to eliminate duplicates Z: 15 14.121 1.900 0.423 0.826 0.929 0.857 CB 1.134 15 residues pruned to eliminate duplicates Z: 16 13.850 1.829 0.541 0.754 0.933 0.467 CB 1.085 16 residues pruned to eliminate duplicates Z: 6 3.946 1.331 0.331 0.592 1.000 0.600 O 0.912 5 residues pruned to eliminate duplicates Z: 12 15.022 1.853 0.610 0.887 1.000 0.818 CB 1.094 18 residues pruned to eliminate duplicates Z: 13 13.501 1.861 0.423 0.910 1.000 0.833 CB 1.044 13 residues pruned to eliminate duplicates Z: 13 14.315 1.835 0.695 0.843 1.000 0.833 CB 0.989 13 residues pruned to eliminate duplicates Z: 18 14.099 1.722 0.632 0.766 0.941 0.824 CB 1.021 18 residues pruned to eliminate duplicates Z: 29 18.737 1.858 0.743 0.776 0.893 0.571 CB 0.959 29 residues pruned to eliminate duplicates Z: 16 13.960 1.779 0.616 0.828 0.867 0.533 CB 1.089 16 residues pruned to eliminate duplicates Z: 28 21.950 1.810 0.820 0.760 0.889 0.519 CB 1.145 28 residues pruned to eliminate duplicates Z: 17 18.579 1.814 0.523 0.876 1.000 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 35 24.550 1.843 0.681 0.766 0.912 0.676 CB 1.177 35 residues pruned to eliminate duplicates Z: 37 23.842 1.809 0.794 0.732 0.889 0.667 CB 1.119 37 residues pruned to eliminate duplicates Z: 17 18.322 1.786 0.671 0.851 0.875 0.625 CB 1.298 17 residues pruned to eliminate duplicates Z: 40 25.210 1.801 0.709 0.804 0.923 0.692 CB 1.090 40 residues pruned to eliminate duplicates Z: 19 18.088 1.800 0.448 0.828 1.000 0.833 CB 1.232 19 residues pruned to eliminate duplicates Z: 18 21.000 1.810 0.553 0.915 1.000 0.647 CB 1.280 18 residues pruned to eliminate duplicates Z: 31 24.927 1.876 0.683 0.769 0.900 0.633 CB 1.262 31 residues pruned to eliminate duplicates Z: 21 20.448 1.928 0.583 0.802 0.900 0.900 CB 1.278 21 residues pruned to eliminate duplicates Z: 18 24.836 1.980 0.624 0.849 1.000 0.824 CB 1.389 18 residues pruned to eliminate duplicates Z: 19 27.436 2.010 0.726 0.810 1.000 0.722 CB 1.423 19 residues pruned to eliminate duplicates Z: 19 26.502 2.005 0.600 0.809 1.000 0.778 CB 1.487 19 residues pruned to eliminate duplicates Z: 16 19.454 1.863 0.530 0.763 0.933 0.733 CB 1.496 16 residues pruned to eliminate duplicates Z: 18 24.036 1.990 0.565 0.828 0.941 0.824 CB 1.498 18 residues pruned to eliminate duplicates Z: 18 28.494 2.017 0.674 0.835 1.000 0.941 CB 1.534 18 residues pruned to eliminate duplicates Z: 20 22.191 1.974 0.461 0.777 0.947 0.842 CB 1.460 20 residues pruned to eliminate duplicates Z: 19 23.949 2.007 0.525 0.860 1.000 0.944 CB 1.356 19 residues pruned to eliminate duplicates Z: 22 22.241 1.921 0.572 0.733 0.952 0.762 CB 1.369 22 residues pruned to eliminate duplicates Z: 20 24.577 2.001 0.664 0.794 0.947 0.895 CB 1.382 20 residues pruned to eliminate duplicates Z: 24 19.658 1.870 0.668 0.668 0.913 0.565 CB 1.232 24 residues pruned to eliminate duplicates Z: 36 32.862 1.981 0.690 0.746 0.943 0.743 CB 1.412 36 residues pruned to eliminate duplicates Z: 19 23.342 1.992 0.556 0.815 0.944 0.833 CB 1.430 19 residues pruned to eliminate duplicates Z: 21 21.878 1.832 0.792 0.780 0.850 0.700 CB 1.370 21 residues pruned to eliminate duplicates Z: 20 21.866 1.862 0.781 0.876 0.895 0.842 CB 1.229 20 residues pruned to eliminate duplicates Z: 19 29.627 1.970 0.905 0.929 1.000 0.778 CB 1.303 19 residues pruned to eliminate duplicates Z: 15 13.463 1.964 0.303 0.776 0.929 0.571 CB 1.186 15 residues pruned to eliminate duplicates Z: 16 14.632 1.848 0.695 0.711 0.867 0.600 CB 1.150 16 residues pruned to eliminate duplicates Z: 17 22.988 1.921 0.710 0.848 1.000 0.875 CB 1.298 18 residues pruned to eliminate duplicates Z: 17 23.087 1.898 0.676 0.902 1.000 0.812 CB 1.294 17 residues pruned to eliminate duplicates Z: 15 20.020 1.965 0.701 0.832 1.000 0.714 CB 1.202 15 residues pruned to eliminate duplicates Z: 9 13.722 2.072 0.441 0.757 1.000 0.875 CB 1.292 9 residues pruned to eliminate duplicates Z: 16 17.126 1.916 0.621 0.749 0.800 0.467 CB 1.425 16 residues pruned to eliminate duplicates Z: 15 15.796 1.800 0.526 0.760 1.000 0.714 CB 1.219 15 residues pruned to eliminate duplicates Z: 16 17.258 1.923 0.565 0.791 0.867 0.733 CB 1.323 16 residues pruned to eliminate duplicates Z: 19 17.763 1.854 0.536 0.762 0.944 0.833 CB 1.234 19 residues pruned to eliminate duplicates Z: 18 21.993 1.958 0.539 0.873 1.000 0.941 CB 1.290 18 residues pruned to eliminate duplicates Z: 14 15.599 1.833 0.784 0.712 0.846 0.692 CB 1.291 14 residues pruned to eliminate duplicates Z: 32 14.244 1.741 0.601 0.537 0.774 0.645 CB 1.144 32 residues pruned to eliminate duplicates Z: 16 22.567 1.945 0.627 0.846 1.000 0.800 CB 1.368 16 residues pruned to eliminate duplicates Z: 16 24.404 1.964 0.772 0.912 1.000 0.933 CB 1.283 16 residues pruned to eliminate duplicates Z: 16 22.792 1.940 0.712 0.879 1.000 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 10 9.487 1.702 0.287 0.448 1.000 0.556 N 1.523 10 residues pruned to eliminate duplicates Z: 7 7.411 1.861 0.001 0.686 0.833 0.667 O 1.643 7 residues pruned to eliminate duplicates Z: 10 10.763 1.775 0.776 0.652 0.889 0.778 CB 1.111 10 residues pruned to eliminate duplicates Z: 11 5.327 1.643 0.464 0.648 0.600 0.400 CB 1.017 11 residues pruned to eliminate duplicates Z: 12 3.994 1.700 0.637 0.505 0.636 0.364 CB 0.676 12 residues pruned to eliminate duplicates Z: 20 17.681 1.873 0.622 0.748 0.947 0.684 CB 1.130 20 residues pruned to eliminate duplicates Z: 24 19.438 1.808 0.649 0.750 0.870 0.696 CB 1.250 24 residues pruned to eliminate duplicates Z: 19 22.008 1.902 0.785 0.843 1.000 0.778 CB 1.138 21 residues pruned to eliminate duplicates Z: 24 22.099 1.863 0.641 0.875 0.957 0.783 CB 1.146 24 residues pruned to eliminate duplicates Z: 22 18.273 1.881 0.784 0.812 0.952 0.524 CB 0.951 22 residues pruned to eliminate duplicates Z: 20 15.762 1.900 0.763 0.746 0.947 0.421 CB 0.915 20 residues pruned to eliminate duplicates Z: 21 21.156 1.886 1.022 0.873 0.950 0.600 CB 0.951 21 residues pruned to eliminate duplicates Z: 31 25.653 1.868 0.842 0.758 0.900 0.600 CB 1.201 31 residues pruned to eliminate duplicates Z: 22 15.207 1.810 0.825 0.780 0.857 0.429 CB 0.916 22 residues pruned to eliminate duplicates Z: 23 15.893 1.794 0.632 0.678 0.818 0.545 CB 1.200 23 residues pruned to eliminate duplicates Z: 21 18.691 1.864 0.893 0.780 0.950 0.800 CB 0.974 21 residues pruned to eliminate duplicates Z: 23 23.651 1.917 0.989 0.837 0.909 0.636 CB 1.088 23 residues pruned to eliminate duplicates Z: 19 20.748 1.973 1.108 0.863 0.889 0.667 CB 0.971 19 residues pruned to eliminate duplicates Z: 25 21.096 1.799 0.920 0.869 0.875 0.583 CB 1.040 25 residues pruned to eliminate duplicates Z: 26 17.950 1.777 0.956 0.706 0.800 0.520 CB 1.071 26 residues pruned to eliminate duplicates Z: 18 18.651 1.875 0.866 0.879 0.882 0.529 CB 1.063 18 residues pruned to eliminate duplicates Z: 18 7.849 1.589 0.785 0.560 0.824 0.235 CB 0.769 15 residues pruned to eliminate duplicates Z: 18 15.298 1.750 0.576 0.834 0.941 0.647 CB 1.071 18 residues pruned to eliminate duplicates Z: 25 15.988 1.800 0.763 0.701 0.917 0.625 CB 0.934 25 residues pruned to eliminate duplicates Z: 15 16.194 1.946 0.812 0.909 0.857 0.714 CB 1.016 15 residues pruned to eliminate duplicates Z: 16 15.144 1.862 0.863 0.734 0.933 0.600 CB 0.978 16 residues pruned to eliminate duplicates Z: 16 13.199 1.950 0.788 0.705 0.867 0.467 CB 0.936 16 residues pruned to eliminate duplicates Z: 14 16.442 1.962 0.794 0.755 1.000 0.538 CB 1.032 14 residues pruned to eliminate duplicates Z: 22 20.617 1.866 0.776 0.716 0.952 0.714 CB 1.173 25 residues pruned to eliminate duplicates Z: 20 19.379 1.855 1.109 0.898 0.947 0.526 CB 0.858 20 residues pruned to eliminate duplicates Z: 15 15.992 1.889 0.799 0.690 0.929 0.714 CB 1.138 15 residues pruned to eliminate duplicates Z: 14 18.825 1.927 0.983 0.878 0.923 0.846 CB 1.073 14 residues pruned to eliminate duplicates Z: 22 16.063 1.813 0.926 0.720 0.905 0.571 CB 0.909 22 residues pruned to eliminate duplicates Z: 15 15.281 1.935 0.766 0.832 0.929 0.571 CB 0.966 15 residues pruned to eliminate duplicates Z: 18 17.475 1.878 0.936 0.734 0.882 0.647 CB 1.071 18 residues pruned to eliminate duplicates Z: 18 10.741 1.761 0.102 0.714 0.824 0.706 CB 1.343 12 residues pruned to eliminate duplicates Z: 11 13.347 1.662 0.261 0.897 1.000 1.000 O 1.441 11 residues pruned to eliminate duplicates Z: 33 20.334 1.754 0.397 0.762 0.844 0.625 CB 1.378 33 residues pruned to eliminate duplicates Z: 15 15.480 1.795 0.565 0.818 0.857 0.643 CB 1.303 15 residues pruned to eliminate duplicates Z: 16 9.978 1.690 0.311 0.584 0.867 0.533 CB 1.239 16 residues pruned to eliminate duplicates Z: 14 12.663 1.812 0.478 0.778 0.846 0.769 CB 1.213 15 residues pruned to eliminate duplicates Z: 14 16.168 1.775 0.448 0.829 0.923 0.769 CB 1.422 14 residues pruned to eliminate duplicates Z: 15 13.294 1.766 0.531 0.782 0.857 0.571 CB 1.196 14 residues pruned to eliminate duplicates Z: 16 17.097 1.694 0.614 0.827 1.000 0.600 CB 1.217 14 residues pruned to eliminate duplicates Z: 17 16.339 1.597 0.515 0.897 1.000 0.875 CB 1.209 17 residues pruned to eliminate duplicates Z: 18 5.964 1.599 0.370 0.405 0.647 0.294 CB 1.128 19 residues pruned to eliminate duplicates Z: 16 19.146 1.723 0.661 0.881 1.000 0.867 CB 1.251 16 residues pruned to eliminate duplicates Z: 36 22.684 1.738 0.474 0.761 0.886 0.629 CB 1.340 36 residues pruned to eliminate duplicates Z: 15 9.065 1.693 0.365 0.429 1.000 0.429 CB 1.128 20 residues pruned to eliminate duplicates Z: 16 12.878 1.694 0.412 0.886 1.000 0.933 CB 1.004 16 residues pruned to eliminate duplicates Z: 13 8.241 1.597 0.291 0.619 1.000 0.583 CB 1.031 13 residues pruned to eliminate duplicates Z: 15 11.338 1.673 0.405 0.783 1.000 0.714 CB 1.005 14 residues pruned to eliminate duplicates Z: 17 10.752 1.691 0.512 0.775 0.875 0.812 CB 0.943 17 residues pruned to eliminate duplicates Z: 12 8.261 1.844 0.276 0.651 0.818 0.545 CB 1.124 12 residues pruned to eliminate duplicates Z: 11 13.110 1.843 0.510 0.727 0.900 0.500 CB 1.349 11 residues pruned to eliminate duplicates Z: 10 15.789 1.970 0.662 0.871 1.000 0.889 CB 1.172 10 residues pruned to eliminate duplicates Z: 9 12.966 1.985 0.633 0.831 0.875 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 13 10.344 1.796 0.685 0.724 0.750 0.583 CB 1.075 13 residues pruned to eliminate duplicates Z: 12 9.697 1.795 0.443 0.750 1.000 0.636 CB 0.903 12 residues pruned to eliminate duplicates Z: 12 13.960 1.844 0.738 0.819 0.909 0.636 CB 1.095 14 residues pruned to eliminate duplicates Z: 17 15.472 1.818 0.620 0.899 1.000 0.812 CB 0.939 15 residues pruned to eliminate duplicates Z: 14 16.224 1.806 0.870 0.920 1.000 0.923 CB 0.939 14 residues pruned to eliminate duplicates Z: 17 15.156 1.816 0.431 0.882 1.000 0.875 CB 1.055 17 residues pruned to eliminate duplicates Z: 17 18.352 1.954 0.469 0.787 0.938 0.750 CB 1.324 17 residues pruned to eliminate duplicates Z: 15 17.711 1.963 0.454 0.878 1.000 0.929 CB 1.203 15 residues pruned to eliminate duplicates Z: 18 15.311 1.925 0.419 0.722 0.941 0.588 CB 1.182 18 residues pruned to eliminate duplicates Z: 18 13.292 1.925 0.244 0.766 0.882 0.706 CB 1.206 18 residues pruned to eliminate duplicates Z: 36 22.526 1.934 0.436 0.708 0.943 0.714 CB 1.204 36 residues pruned to eliminate duplicates Z: 23 14.732 1.850 0.291 0.729 0.909 0.818 CB 1.178 23 residues pruned to eliminate duplicates Z: 22 18.011 1.880 0.427 0.721 0.952 0.810 CB 1.260 22 residues pruned to eliminate duplicates Z: 38 21.823 1.867 0.601 0.642 0.838 0.486 CB 1.254 47 residues pruned to eliminate duplicates Z: 16 22.864 1.932 0.498 0.915 1.000 0.800 CB 1.442 16 residues pruned to eliminate duplicates Z: 20 18.543 1.874 0.532 0.750 0.947 0.789 CB 1.251 20 residues pruned to eliminate duplicates Z: 17 18.827 1.966 0.575 0.784 0.938 0.688 CB 1.263 17 residues pruned to eliminate duplicates Z: 23 19.617 1.906 0.470 0.757 1.000 0.636 CB 1.187 23 residues pruned to eliminate duplicates Z: 42 20.400 1.812 0.615 0.603 0.829 0.512 CB 1.191 38 residues pruned to eliminate duplicates Z: 18 19.117 1.918 0.452 0.884 0.941 0.882 CB 1.277 18 residues pruned to eliminate duplicates Z: 18 20.243 1.913 0.640 0.782 1.000 0.647 CB 1.221 18 residues pruned to eliminate duplicates Z: 18 21.443 1.929 0.554 0.790 1.000 0.824 CB 1.344 18 residues pruned to eliminate duplicates Z: 18 20.718 1.902 0.570 0.849 1.000 0.765 CB 1.248 18 residues pruned to eliminate duplicates Z: 17 12.399 1.770 0.276 0.607 0.938 0.500 CB 1.322 17 residues pruned to eliminate duplicates Z: 19 16.555 1.909 0.271 0.791 0.944 0.889 CB 1.319 19 residues pruned to eliminate duplicates Z: 19 17.425 1.912 0.351 0.814 1.000 0.722 CB 1.211 19 residues pruned to eliminate duplicates Z: 10 12.950 1.759 0.479 0.601 1.000 0.556 CB 1.507 10 residues pruned to eliminate duplicates Z: 19 20.594 1.877 0.504 0.781 1.000 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 16 21.894 1.967 0.532 0.878 1.000 0.733 CB 1.361 16 residues pruned to eliminate duplicates Z: 19 21.578 1.915 0.518 0.815 0.944 0.667 CB 1.409 19 residues pruned to eliminate duplicates Z: 18 23.156 1.933 0.526 0.836 1.000 0.824 CB 1.425 18 residues pruned to eliminate duplicates Z: 19 20.504 1.932 0.422 0.812 1.000 0.833 CB 1.341 19 residues pruned to eliminate duplicates Z: 20 17.523 1.899 0.260 0.725 1.000 0.684 CB 1.371 20 residues pruned to eliminate duplicates Z: 18 18.560 1.907 0.339 0.794 0.941 0.647 CB 1.447 18 residues pruned to eliminate duplicates Z: 18 18.752 1.943 0.465 0.761 0.941 0.647 CB 1.346 18 residues pruned to eliminate duplicates Z: 22 16.616 1.874 0.275 0.707 0.905 0.714 CB 1.390 22 residues pruned to eliminate duplicates Z: 19 19.338 1.931 0.327 0.808 0.944 0.778 CB 1.440 19 residues pruned to eliminate duplicates Z: 18 21.502 1.947 0.464 0.844 1.000 0.824 CB 1.361 18 residues pruned to eliminate duplicates Z: 20 21.159 1.842 0.607 0.810 1.000 0.789 CB 1.251 20 residues pruned to eliminate duplicates Z: 11 20.791 1.956 0.760 0.811 0.900 0.600 O 1.618 11 residues pruned to eliminate duplicates Z: 14 17.870 1.792 0.498 0.883 1.000 0.769 CB 1.335 14 residues pruned to eliminate duplicates Z: 12 20.759 1.858 0.649 0.891 1.000 0.818 CB 1.469 12 residues pruned to eliminate duplicates Z: 13 17.777 1.852 0.700 0.765 0.917 0.750 CB 1.405 13 residues pruned to eliminate duplicates Z: 14 17.968 1.832 0.509 0.819 1.000 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 13 18.182 1.863 0.602 0.821 0.917 0.833 CB 1.453 13 residues pruned to eliminate duplicates Z: 13 16.495 1.723 0.598 0.774 1.000 0.667 CB 1.357 13 residues pruned to eliminate duplicates Z: 13 21.757 1.823 0.886 0.855 1.000 0.667 CB 1.348 13 residues pruned to eliminate duplicates Z: 14 20.201 1.816 0.625 0.869 1.000 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 13 7.251 1.594 0.744 0.560 0.917 0.500 CB 0.775 13 residues pruned to eliminate duplicates Z: 16 9.226 1.637 0.647 0.464 0.867 0.333 CB 1.058 13 residues pruned to eliminate duplicates Z: 17 14.726 1.929 0.661 0.900 0.938 0.812 CB 0.875 20 residues pruned to eliminate duplicates Z: 16 21.036 2.048 0.825 0.936 1.000 0.867 CB 1.013 16 residues pruned to eliminate duplicates Z: 25 19.482 1.944 0.696 0.763 0.958 0.667 CB 0.997 25 residues pruned to eliminate duplicates Z: 26 18.530 1.992 0.742 0.689 0.840 0.680 CB 1.070 26 residues pruned to eliminate duplicates Z: 20 19.118 1.990 0.971 0.860 0.895 0.684 CB 0.918 20 residues pruned to eliminate duplicates Z: 22 21.151 1.926 0.958 0.790 0.905 0.524 CB 1.048 22 residues pruned to eliminate duplicates Z: 35 27.467 1.981 0.785 0.776 0.912 0.618 CB 1.145 35 residues pruned to eliminate duplicates Z: 18 20.591 2.005 0.961 0.872 1.000 0.588 CB 0.926 18 residues pruned to eliminate duplicates Z: 22 18.954 1.952 0.837 0.818 0.952 0.619 CB 0.919 22 residues pruned to eliminate duplicates Z: 19 21.930 1.910 1.058 0.887 0.944 0.556 CB 1.004 19 residues pruned to eliminate duplicates Z: 20 22.165 2.013 1.090 0.877 0.947 0.789 CB 0.926 20 residues pruned to eliminate duplicates Z: 30 22.378 1.979 0.588 0.643 0.828 0.586 CB 1.399 30 residues pruned to eliminate duplicates Z: 18 22.845 2.049 1.130 0.867 1.000 0.706 CB 0.929 18 residues pruned to eliminate duplicates Z: 15 15.899 1.970 0.876 0.791 0.929 0.714 CB 0.960 15 residues pruned to eliminate duplicates Z: 12 11.784 1.659 0.541 0.635 1.000 0.636 CB 1.224 12 residues pruned to eliminate duplicates Z: 11 11.506 1.761 0.438 0.743 1.000 0.900 CB 1.156 11 residues pruned to eliminate duplicates Z: 14 10.154 1.616 0.459 0.645 0.846 0.692 CB 1.233 14 residues pruned to eliminate duplicates Z: 15 20.322 1.735 0.830 0.856 1.000 0.714 CB 1.262 15 residues pruned to eliminate duplicates Z: 17 18.836 1.644 0.727 0.882 1.000 0.812 CB 1.200 17 residues pruned to eliminate duplicates Z: 17 18.593 1.663 0.821 0.831 0.938 0.625 CB 1.230 17 residues pruned to eliminate duplicates Z: 15 20.877 1.732 0.782 0.885 1.000 0.643 CB 1.305 16 residues pruned to eliminate duplicates Z: 16 20.196 1.702 0.770 0.884 1.000 0.733 CB 1.251 16 residues pruned to eliminate duplicates Z: 17 16.837 1.679 0.652 0.885 1.000 0.812 CB 1.096 17 residues pruned to eliminate duplicates Z: 16 20.468 1.726 0.805 0.887 1.000 0.933 CB 1.224 16 residues pruned to eliminate duplicates Z: 19 15.609 1.635 0.827 0.832 0.889 0.778 CB 1.040 16 residues pruned to eliminate duplicates Z: 18 20.481 1.664 0.961 0.892 1.000 0.647 CB 1.094 19 residues pruned to eliminate duplicates Z: 13 9.634 1.613 0.622 0.839 0.750 0.667 CB 1.059 12 residues pruned to eliminate duplicates Z: 15 14.488 1.744 0.529 0.899 0.929 0.857 CB 1.118 15 residues pruned to eliminate duplicates Z: 11 12.122 1.790 0.491 0.693 1.000 0.800 CB 1.204 11 residues pruned to eliminate duplicates Z: 8 9.160 1.771 0.534 0.616 0.857 0.857 CB 1.333 8 residues pruned to eliminate duplicates Z: 13 12.229 1.677 0.681 0.716 0.917 0.583 CB 1.124 13 residues pruned to eliminate duplicates Z: 11 10.340 1.693 0.738 0.763 0.800 0.700 CB 1.100 11 residues pruned to eliminate duplicates Z: 11 11.323 1.702 0.592 0.783 0.900 0.400 CB 1.144 11 residues pruned to eliminate duplicates Z: 17 9.985 1.615 0.658 0.605 0.812 0.312 CB 1.039 17 residues pruned to eliminate duplicates Z: 8 4.550 1.592 0.589 0.456 0.714 0.286 CB 0.996 8 residues pruned to eliminate duplicates Z: 9 9.233 1.626 0.602 0.678 1.000 0.500 CB 1.064 Z: 15 14.132 1.709 0.727 0.910 0.929 0.500 CB 0.977 24 residues pruned to eliminate duplicates Z: 6 7.220 1.712 0.874 0.809 0.800 0.600 CB 0.962 6 residues pruned to eliminate duplicates Z: 14 5.944 1.583 0.812 0.819 0.692 0.385 CB 0.629 14 residues pruned to eliminate duplicates Z: 8 7.289 1.692 0.507 0.467 0.857 0.714 CB 1.303 8 residues pruned to eliminate duplicates Z: 16 16.737 1.896 0.466 0.851 1.000 0.933 CB 1.151 16 residues pruned to eliminate duplicates Z: 11 11.525 1.728 0.561 0.823 1.000 0.800 CB 1.021 11 residues pruned to eliminate duplicates Z: 12 7.870 1.699 0.328 0.665 0.909 0.636 CB 0.993 12 residues pruned to eliminate duplicates Z: 12 12.689 1.781 0.551 0.793 0.909 0.636 CB 1.178 12 residues pruned to eliminate duplicates Z: 22 17.980 1.924 0.575 0.755 0.952 0.619 CB 1.084 22 residues pruned to eliminate duplicates Z: 10 10.004 1.745 0.605 0.793 1.000 0.889 CB 0.921 10 residues pruned to eliminate duplicates Z: 22 18.825 1.952 0.617 0.777 0.952 0.714 CB 1.069 22 residues pruned to eliminate duplicates Z: 18 15.433 1.701 0.788 0.680 0.941 0.588 CB 1.108 18 residues pruned to eliminate duplicates Z: 25 19.306 1.806 0.814 0.690 0.917 0.417 CB 1.103 25 residues pruned to eliminate duplicates Z: 24 24.671 1.985 0.732 0.883 0.957 0.826 CB 1.131 24 residues pruned to eliminate duplicates Z: 24 23.902 1.984 0.710 0.873 0.913 0.696 CB 1.172 24 residues pruned to eliminate duplicates Z: 14 24.931 2.133 0.778 0.885 0.923 0.846 CB 1.426 14 residues pruned to eliminate duplicates Z: 25 25.210 1.977 0.766 0.855 0.958 0.833 CB 1.135 25 residues pruned to eliminate duplicates Z: 24 30.655 1.944 0.892 0.944 1.000 0.913 CB 1.204 23 residues pruned to eliminate duplicates Z: 22 29.981 2.035 0.837 0.945 1.000 1.000 CB 1.211 22 residues pruned to eliminate duplicates Z: 25 24.401 1.984 0.772 0.836 0.917 0.583 CB 1.157 25 residues pruned to eliminate duplicates Z: 15 24.365 2.152 0.969 0.855 0.929 0.857 CB 1.222 15 residues pruned to eliminate duplicates Z: 26 24.714 1.960 0.803 0.821 0.920 0.480 CB 1.151 26 residues pruned to eliminate duplicates Z: 19 22.143 2.000 1.031 0.739 0.889 0.722 CB 1.167 19 residues pruned to eliminate duplicates Z: 23 25.333 1.949 0.898 0.887 0.955 0.682 CB 1.103 23 residues pruned to eliminate duplicates Z: 30 27.585 1.821 0.876 0.803 0.931 0.828 CB 1.236 30 residues pruned to eliminate duplicates Z: 15 34.621 2.044 1.349 0.860 1.000 0.643 CB 1.417 15 residues pruned to eliminate duplicates Z: 9 11.078 1.769 0.726 0.860 1.000 0.875 CB 0.943 9 residues pruned to eliminate duplicates Z: 13 19.207 1.819 0.827 0.830 1.000 0.750 CB 1.255 14 residues pruned to eliminate duplicates Z: 14 16.356 1.711 0.694 0.874 0.923 0.846 CB 1.234 14 residues pruned to eliminate duplicates Z: 13 13.872 1.725 0.834 0.794 0.750 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 8 8.889 1.825 0.930 0.626 1.000 0.286 CB 0.847 8 residues pruned to eliminate duplicates Z: 12 15.918 1.795 0.935 0.770 0.909 0.545 CB 1.197 12 residues pruned to eliminate duplicates Z: 17 9.641 1.656 0.810 0.553 0.750 0.562 CB 1.019 17 residues pruned to eliminate duplicates Z: 12 14.414 1.773 1.033 0.865 1.000 0.727 CB 0.883 12 residues pruned to eliminate duplicates Z: 13 15.387 1.811 0.888 0.868 0.917 0.667 CB 1.036 13 residues pruned to eliminate duplicates Z: 14 16.300 1.806 0.756 0.876 0.923 0.692 CB 1.122 14 residues pruned to eliminate duplicates Z: 13 14.470 1.809 0.920 0.868 0.833 0.667 CB 1.055 14 residues pruned to eliminate duplicates Z: 18 18.620 1.842 0.495 0.880 1.000 0.765 CB 1.188 18 residues pruned to eliminate duplicates Z: 12 6.041 1.655 0.569 0.501 0.727 0.455 CB 0.964 12 residues pruned to eliminate duplicates Z: 15 19.748 1.865 0.991 0.700 0.857 0.714 CB 1.381 15 residues pruned to eliminate duplicates Z: 17 16.033 1.885 0.849 0.781 0.875 0.562 CB 1.026 15 residues pruned to eliminate duplicates Z: 16 23.611 1.877 0.815 0.893 1.000 0.733 CB 1.286 19 residues pruned to eliminate duplicates Z: 17 18.292 1.859 0.594 0.900 0.938 0.750 CB 1.175 16 residues pruned to eliminate duplicates Z: 18 20.661 1.838 0.851 0.908 0.882 0.588 CB 1.186 18 residues pruned to eliminate duplicates Z: 17 21.787 1.871 0.850 0.893 1.000 0.500 CB 1.130 17 residues pruned to eliminate duplicates Z: 17 16.003 1.803 0.833 0.576 0.875 0.500 CB 1.286 17 residues pruned to eliminate duplicates Z: 18 20.940 1.797 0.938 0.777 0.941 0.588 CB 1.214 18 residues pruned to eliminate duplicates Z: 18 18.355 1.849 0.927 0.817 0.882 0.294 CB 1.075 18 residues pruned to eliminate duplicates Z: 19 18.485 1.850 0.909 0.755 0.944 0.222 CB 1.040 19 residues pruned to eliminate duplicates Z: 17 17.632 1.858 0.821 0.821 0.938 0.500 CB 1.052 17 residues pruned to eliminate duplicates Z: 15 19.344 1.874 1.098 0.915 1.000 0.429 CB 0.929 15 residues pruned to eliminate duplicates Z: 20 21.993 1.848 0.868 0.792 1.000 0.421 CB 1.131 20 residues pruned to eliminate duplicates Z: 21 16.348 1.820 0.783 0.750 0.850 0.600 CB 1.061 21 residues pruned to eliminate duplicates Z: 18 22.338 1.754 0.954 0.896 1.000 0.824 CB 1.132 18 residues pruned to eliminate duplicates Z: 13 12.928 1.769 0.686 0.903 1.000 1.000 CB 0.892 13 residues pruned to eliminate duplicates Z: 13 13.174 1.830 0.817 0.876 0.917 0.833 CB 0.907 13 residues pruned to eliminate duplicates Z: 11 9.230 1.549 0.734 0.720 0.900 0.800 CB 0.989 11 residues pruned to eliminate duplicates Z: 15 12.144 1.807 0.653 0.915 1.000 0.929 CB 0.768 15 residues pruned to eliminate duplicates Z: 13 11.944 1.823 0.756 0.868 1.000 0.750 CB 0.788 13 residues pruned to eliminate duplicates Z: 17 10.512 1.802 0.528 0.777 1.000 0.750 CB 0.747 17 residues pruned to eliminate duplicates Z: 12 11.506 1.864 0.409 0.903 1.000 1.000 CB 0.942 12 residues pruned to eliminate duplicates Z: 13 11.498 1.859 0.399 0.888 0.917 0.833 CB 1.003 13 residues pruned to eliminate duplicates Z: 16 15.728 1.778 0.919 0.837 0.933 0.733 CB 0.954 15 residues pruned to eliminate duplicates Z: 18 17.520 1.753 0.824 0.928 1.000 1.000 CB 0.931 21 residues pruned to eliminate duplicates Z: 17 17.728 1.768 0.955 0.914 1.000 0.938 CB 0.907 17 residues pruned to eliminate duplicates Z: 16 18.022 1.814 1.121 0.919 1.000 0.800 CB 0.853 15 residues pruned to eliminate duplicates Z: 20 18.051 1.660 0.947 0.910 1.000 0.842 CB 0.909 19 residues pruned to eliminate duplicates Z: 18 16.244 1.654 0.993 0.898 0.941 0.765 CB 0.908 18 residues pruned to eliminate duplicates Z: 16 17.719 1.754 1.109 0.915 1.000 0.867 CB 0.874 16 residues pruned to eliminate duplicates Z: 19 17.389 1.647 1.044 0.914 1.000 0.722 CB 0.861 19 residues pruned to eliminate duplicates Z: 14 15.510 1.959 0.645 0.917 1.000 1.000 CB 0.942 14 residues pruned to eliminate duplicates Z: 9 13.269 1.834 1.159 0.482 1.000 0.875 CB 1.207 9 residues pruned to eliminate duplicates Z: 19 15.787 1.948 0.889 0.808 0.944 0.778 CB 0.819 19 residues pruned to eliminate duplicates Z: 15 8.543 1.859 0.784 0.577 0.786 0.643 CB 0.813 15 residues pruned to eliminate duplicates Z: 12 11.286 1.720 0.852 0.711 1.000 0.636 CB 0.882 6 residues pruned to eliminate duplicates Z: 16 18.380 1.935 1.061 0.939 1.000 0.733 CB 0.827 16 residues pruned to eliminate duplicates Z: 12 8.179 1.994 0.553 0.478 0.636 0.182 CB 1.279 12 residues pruned to eliminate duplicates Z: 25 17.835 1.869 0.972 0.739 0.792 0.292 CB 1.007 25 residues pruned to eliminate duplicates Z: 15 16.392 1.970 1.319 0.919 0.929 0.571 CB 0.728 15 residues pruned to eliminate duplicates Z: 16 17.267 1.856 1.223 0.915 1.000 0.533 CB 0.763 16 residues pruned to eliminate duplicates Z: 14 24.202 1.980 1.316 0.914 1.000 0.769 CB 1.035 14 residues pruned to eliminate duplicates Z: 16 16.692 1.946 0.939 0.774 0.800 0.467 CB 1.120 16 residues pruned to eliminate duplicates Z: 20 13.274 1.915 0.707 0.708 0.737 0.368 CB 1.047 20 residues pruned to eliminate duplicates Z: 35 18.090 1.778 0.792 0.679 0.853 0.618 CB 0.969 37 residues pruned to eliminate duplicates Z: 16 10.857 1.801 0.318 0.721 0.800 0.733 CB 1.209 16 residues pruned to eliminate duplicates Z: 11 8.537 1.883 0.360 0.705 0.700 0.500 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 7.381 1.863 0.114 0.615 0.727 0.636 CB 1.322 12 residues pruned to eliminate duplicates Z: 13 6.469 1.697 0.282 0.491 0.667 0.417 CB 1.300 13 residues pruned to eliminate duplicates Z: 20 14.103 1.870 0.683 0.600 0.789 0.684 CB 1.184 20 residues pruned to eliminate duplicates Z: 8 8.412 1.952 0.158 0.746 0.857 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 25 15.372 1.873 0.600 0.608 0.833 0.458 CB 1.134 25 residues pruned to eliminate duplicates Z: 13 12.309 1.858 0.262 0.728 0.917 0.667 CB 1.346 13 residues pruned to eliminate duplicates Z: 15 11.979 1.755 0.283 0.720 0.929 0.500 CB 1.254 15 residues pruned to eliminate duplicates Z: 22 18.739 1.921 0.555 0.644 0.857 0.571 CB 1.397 22 residues pruned to eliminate duplicates Z: 14 11.916 1.813 0.342 0.683 0.923 0.692 CB 1.243 14 residues pruned to eliminate duplicates Z: 12 12.462 1.841 0.283 0.788 1.000 0.909 CB 1.235 12 residues pruned to eliminate duplicates Z: 14 13.021 1.824 0.427 0.734 0.923 0.769 CB 1.219 14 residues pruned to eliminate duplicates Z: 34 15.067 1.837 0.672 0.591 0.758 0.576 CB 1.033 34 residues pruned to eliminate duplicates Z: 21 13.103 1.786 0.478 0.536 0.850 0.600 CB 1.261 21 residues pruned to eliminate duplicates Z: 9 3.643 1.595 0.400 0.151 0.750 0.500 N 1.181 Z: 13 10.055 1.839 0.100 0.751 0.833 0.833 CB 1.377 13 residues pruned to eliminate duplicates Z: 11 12.672 1.986 0.174 0.710 0.900 0.800 CB 1.578 11 residues pruned to eliminate duplicates Z: 12 19.687 1.980 0.415 0.804 1.000 1.000 N 1.625 12 residues pruned to eliminate duplicates Z: 12 13.129 1.896 0.100 0.753 1.000 1.000 CB 1.515 12 residues pruned to eliminate duplicates Z: 8 11.728 1.859 0.418 0.624 1.000 0.714 N 1.495 8 residues pruned to eliminate duplicates Z: 13 15.144 1.950 0.240 0.815 1.000 0.833 CB 1.375 13 residues pruned to eliminate duplicates Z: 13 12.706 1.878 0.281 0.655 0.917 0.833 CB 1.440 13 residues pruned to eliminate duplicates Z: 20 15.489 1.900 0.542 0.595 0.895 0.526 CB 1.237 20 residues pruned to eliminate duplicates Z: 17 24.955 1.994 0.655 0.741 1.000 0.812 CB 1.523 23 residues pruned to eliminate duplicates Z: 18 27.971 2.025 0.838 0.884 0.941 0.647 CB 1.399 18 residues pruned to eliminate duplicates Z: 23 19.313 1.824 0.771 0.598 0.909 0.318 CB 1.277 23 residues pruned to eliminate duplicates Z: 38 25.044 1.826 0.527 0.687 0.919 0.568 CB 1.354 44 residues pruned to eliminate duplicates Z: 18 31.201 1.981 0.987 0.920 1.000 0.824 CB 1.354 18 residues pruned to eliminate duplicates Z: 20 28.018 1.965 0.726 0.892 1.000 0.789 CB 1.361 20 residues pruned to eliminate duplicates Z: 20 23.854 1.928 0.612 0.818 0.947 0.895 CB 1.410 20 residues pruned to eliminate duplicates Z: 40 24.231 1.848 0.619 0.671 0.897 0.590 CB 1.234 40 residues pruned to eliminate duplicates Z: 8 5.507 1.760 0.492 0.525 0.714 0.286 CB 1.083 Z: 21 26.635 1.922 0.807 0.887 0.950 0.650 CB 1.302 21 residues pruned to eliminate duplicates Z: 7 8.502 1.744 0.764 0.822 0.833 0.667 N 1.024 7 residues pruned to eliminate duplicates Z: 22 27.596 1.971 0.732 0.908 1.000 0.810 CB 1.253 22 residues pruned to eliminate duplicates Z: 17 14.304 1.865 0.488 0.757 0.875 0.750 CB 1.172 18 residues pruned to eliminate duplicates Z: 23 18.787 1.902 0.514 0.814 0.909 0.773 CB 1.165 23 residues pruned to eliminate duplicates Z: 22 23.701 2.030 0.579 0.845 0.952 0.714 CB 1.259 22 residues pruned to eliminate duplicates Z: 7 9.336 1.867 0.555 0.827 0.833 0.833 CB 1.187 7 residues pruned to eliminate duplicates Z: 26 22.099 1.936 0.722 0.773 0.920 0.760 CB 1.132 26 residues pruned to eliminate duplicates Z: 19 17.991 1.959 0.837 0.716 0.833 0.833 CB 1.163 19 residues pruned to eliminate duplicates Z: 38 30.401 1.943 0.643 0.781 0.946 0.784 CB 1.292 38 residues pruned to eliminate duplicates Z: 21 25.120 2.030 0.802 0.890 0.900 0.750 CB 1.226 21 residues pruned to eliminate duplicates Z: 23 25.012 1.990 0.741 0.813 0.909 0.682 CB 1.290 23 residues pruned to eliminate duplicates Z: 21 23.846 1.906 0.821 0.869 0.900 0.750 CB 1.247 21 residues pruned to eliminate duplicates Z: 23 27.418 2.001 0.838 0.812 0.909 0.682 CB 1.332 23 residues pruned to eliminate duplicates Z: 20 20.925 1.940 0.680 0.885 0.947 0.737 CB 1.123 20 residues pruned to eliminate duplicates Z: 38 22.856 1.841 0.694 0.661 0.865 0.459 CB 1.200 38 residues pruned to eliminate duplicates Z: 22 30.158 2.024 0.947 0.871 0.952 0.476 CB 1.279 22 residues pruned to eliminate duplicates Z: 22 26.373 1.925 0.950 0.902 0.905 0.810 CB 1.209 22 residues pruned to eliminate duplicates Z: 22 28.102 2.023 0.896 0.872 0.952 0.810 CB 1.223 22 residues pruned to eliminate duplicates Z: 22 28.309 2.029 0.956 0.875 0.952 0.810 CB 1.189 22 residues pruned to eliminate duplicates Z: 22 24.341 2.013 0.881 0.868 0.905 0.667 CB 1.134 22 residues pruned to eliminate duplicates Z: 22 28.253 2.054 0.950 0.891 0.952 0.810 CB 1.162 22 residues pruned to eliminate duplicates Z: 23 23.324 1.982 0.762 0.865 0.909 0.636 CB 1.147 23 residues pruned to eliminate duplicates Z: 37 30.402 1.964 0.745 0.793 0.972 0.694 CB 1.177 37 residues pruned to eliminate duplicates Z: 32 26.373 1.976 0.751 0.737 0.903 0.710 CB 1.225 32 residues pruned to eliminate duplicates Z: 14 14.074 1.908 0.466 0.734 0.846 0.615 CB 1.336 14 residues pruned to eliminate duplicates Z: 16 16.516 1.815 0.520 0.671 0.867 0.533 CB 1.523 16 residues pruned to eliminate duplicates Z: 18 16.843 1.879 0.627 0.679 0.824 0.529 CB 1.376 18 residues pruned to eliminate duplicates Z: 13 22.638 1.946 0.859 0.818 1.000 0.750 CB 1.371 13 residues pruned to eliminate duplicates Z: 36 32.703 2.001 0.725 0.810 0.971 0.657 CB 1.258 36 residues pruned to eliminate duplicates Z: 15 18.123 1.743 0.694 0.907 0.929 0.857 CB 1.256 15 residues pruned to eliminate duplicates Z: 34 33.024 2.012 0.725 0.819 0.970 0.818 CB 1.295 34 residues pruned to eliminate duplicates Z: 16 15.291 1.925 0.447 0.700 0.933 0.667 CB 1.265 16 residues pruned to eliminate duplicates Z: 35 30.138 1.985 0.813 0.807 0.912 0.559 CB 1.205 35 residues pruned to eliminate duplicates Z: 36 32.680 2.007 0.735 0.801 0.971 0.800 CB 1.255 36 residues pruned to eliminate duplicates Z: 13 21.064 1.980 1.038 0.902 0.750 0.583 CB 1.434 13 residues pruned to eliminate duplicates Z: 41 32.530 1.939 0.844 0.842 0.875 0.650 CB 1.226 36 residues pruned to eliminate duplicates Z: 17 23.902 1.889 0.909 0.897 0.938 0.500 CB 1.265 19 residues pruned to eliminate duplicates Z: 7 9.672 1.541 0.967 0.803 1.000 0.500 O 0.999 7 residues pruned to eliminate duplicates Z: 17 25.301 1.884 0.857 0.925 0.938 0.812 CB 1.353 16 residues pruned to eliminate duplicates Z: 19 25.135 1.828 0.717 0.919 1.000 0.778 CB 1.330 19 residues pruned to eliminate duplicates Z: 21 15.112 1.788 0.541 0.686 0.900 0.700 CB 1.148 21 residues pruned to eliminate duplicates Z: 12 7.859 1.627 0.790 0.322 0.727 0.273 O 1.361 12 residues pruned to eliminate duplicates Z: 23 18.449 1.968 0.550 0.796 0.955 0.727 CB 1.043 23 residues pruned to eliminate duplicates Z: 25 17.771 1.904 0.731 0.725 0.958 0.625 CB 0.938 25 residues pruned to eliminate duplicates Z: 20 17.324 1.803 1.100 0.745 0.895 0.684 CB 0.942 20 residues pruned to eliminate duplicates Z: 17 17.585 1.751 1.153 0.630 0.875 0.625 CB 1.180 17 residues pruned to eliminate duplicates Z: 22 23.834 1.983 0.819 0.860 0.905 0.762 CB 1.172 22 residues pruned to eliminate duplicates Z: 18 21.625 2.095 0.806 0.838 0.941 0.765 CB 1.101 18 residues pruned to eliminate duplicates Z: 24 18.495 1.941 0.541 0.766 0.913 0.609 CB 1.116 24 residues pruned to eliminate duplicates Z: 24 18.225 1.938 0.619 0.822 0.913 0.565 CB 1.003 24 residues pruned to eliminate duplicates Z: 24 17.100 1.951 0.621 0.777 0.870 0.522 CB 1.015 24 residues pruned to eliminate duplicates Z: 22 19.957 1.961 0.776 0.825 0.905 0.810 CB 1.043 22 residues pruned to eliminate duplicates Z: 23 23.891 1.971 0.948 0.806 0.909 0.636 CB 1.118 23 residues pruned to eliminate duplicates Z: 23 20.136 1.914 0.928 0.806 0.864 0.455 CB 1.032 23 residues pruned to eliminate duplicates Z: 23 22.421 1.910 0.907 0.850 0.955 0.682 CB 1.019 23 residues pruned to eliminate duplicates Z: 18 17.757 1.924 0.814 0.699 0.882 0.529 CB 1.166 18 residues pruned to eliminate duplicates Z: 21 21.345 1.985 0.959 0.780 0.900 0.600 CB 1.065 21 residues pruned to eliminate duplicates Z: 21 26.365 2.066 0.882 0.850 0.950 0.700 CB 1.183 21 residues pruned to eliminate duplicates Z: 21 25.991 2.029 0.981 0.865 0.950 0.750 CB 1.115 21 residues pruned to eliminate duplicates Z: 11 14.098 1.920 0.509 0.752 1.000 0.800 CB 1.229 11 residues pruned to eliminate duplicates Z: 11 15.793 1.990 0.397 0.793 1.000 0.900 CB 1.389 11 residues pruned to eliminate duplicates Z: 24 18.769 1.864 0.466 0.755 0.913 0.826 CB 1.250 24 residues pruned to eliminate duplicates Z: 14 12.901 1.760 0.669 0.706 0.846 0.769 CB 1.193 14 residues pruned to eliminate duplicates Z: 12 13.593 1.950 0.623 0.755 0.818 0.636 CB 1.261 11 residues pruned to eliminate duplicates Z: 21 24.015 1.927 0.620 0.910 0.950 0.800 CB 1.283 22 residues pruned to eliminate duplicates Z: 21 26.656 1.946 0.743 0.921 0.950 0.900 CB 1.302 21 residues pruned to eliminate duplicates Z: 18 13.375 1.891 0.658 0.562 0.765 0.471 CB 1.274 18 residues pruned to eliminate duplicates Z: 23 20.502 1.859 0.647 0.725 1.000 0.591 CB 1.165 23 residues pruned to eliminate duplicates Z: 19 22.065 1.959 0.861 0.830 0.944 0.667 CB 1.135 19 residues pruned to eliminate duplicates Z: 19 26.924 1.905 0.927 0.919 0.944 0.722 CB 1.290 19 residues pruned to eliminate duplicates Z: 18 29.586 1.928 0.901 0.878 1.000 0.412 CB 1.421 21 residues pruned to eliminate duplicates Z: 21 23.038 1.923 0.919 0.865 0.850 0.700 CB 1.203 21 residues pruned to eliminate duplicates Z: 20 23.550 1.883 0.871 0.830 0.947 0.632 CB 1.217 20 residues pruned to eliminate duplicates Z: 20 17.533 1.862 0.661 0.768 0.895 0.158 CB 1.146 20 residues pruned to eliminate duplicates Z: 26 22.768 1.869 0.817 0.716 0.960 0.560 CB 1.148 20 residues pruned to eliminate duplicates Z: 22 26.935 1.880 0.839 0.860 0.952 0.810 CB 1.313 25 residues pruned to eliminate duplicates Z: 20 28.094 1.911 0.922 0.924 0.947 0.526 CB 1.301 21 residues pruned to eliminate duplicates Z: 21 25.099 1.899 0.878 0.893 0.950 0.600 CB 1.189 21 residues pruned to eliminate duplicates 816 residues left after pruning, divided into chains as follows: A: 19 B: 24 C: 19 D: 39 E: 25 F: 41 G: 40 H: 38 I: 37 J: 17 K: 40 L: 96 M: 18 N: 39 O: 18 P: 16 Q: 43 R: 14 S: 56 T: 20 U: 97 V: 40 W: 20 CC for partial structure against native data = 43.03 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.652, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.739, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.878, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.890, Connect. = 0.774 for dens.mod. cycle 4 = 0.300, Contrast = 0.898, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.897, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.897, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.893, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.891, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.887, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2881 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 668 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 22.242 1.916 0.561 0.898 1.000 0.895 CB 1.220 B: 21 22.976 1.933 0.601 0.935 0.950 0.850 CB 1.218 C: 23 26.396 2.016 0.711 0.929 0.955 0.545 CB 1.195 D: 21 28.369 1.847 0.872 0.933 1.000 0.750 CB 1.281 E: 20 25.290 1.899 0.928 0.919 0.947 0.842 CB 1.179 F: 22 25.850 1.913 0.769 0.871 0.952 0.714 CB 1.276 22 residues pruned to eliminate duplicates G: 18 26.487 2.022 0.667 0.859 0.941 0.706 CB 1.490 H: 17 18.028 1.878 0.559 0.894 0.938 0.812 CB 1.178 I: 12 15.675 1.888 0.717 0.795 0.909 0.636 CB 1.239 J: 13 20.463 1.949 0.564 0.880 0.917 0.833 CB 1.531 K: 20 30.698 2.009 0.624 0.882 1.000 0.895 N 1.562 18 residues pruned to eliminate duplicates L: 23 24.468 1.975 0.674 0.897 0.955 0.864 CB 1.183 M: 21 25.357 1.928 0.551 0.886 1.000 0.900 CB 1.369 20 residues pruned to eliminate duplicates N: 22 27.819 1.896 0.823 0.911 1.000 0.810 CB 1.245 22 residues pruned to eliminate duplicates O: 20 25.202 2.033 0.935 0.924 0.947 0.632 CB 1.090 P: 21 22.781 1.958 0.843 0.873 0.950 0.750 CB 1.082 21 residues pruned to eliminate duplicates Q: 15 15.579 1.917 0.430 0.916 1.000 0.857 CB 1.073 15 residues pruned to eliminate duplicates R: 19 21.497 2.043 0.880 0.952 1.000 1.000 CB 0.909 S: 13 13.811 1.880 0.334 0.932 1.000 1.000 CB 1.110 T: 18 26.861 2.068 0.671 0.902 1.000 0.882 CB 1.345 18 residues pruned to eliminate duplicates U: 23 31.136 2.009 0.781 0.952 1.000 0.818 CB 1.278 23 residues pruned to eliminate duplicates V: 21 26.285 1.939 0.971 0.930 0.950 0.800 CB 1.132 21 residues pruned to eliminate duplicates W: 20 22.641 1.927 0.517 0.927 1.000 0.947 CB 1.245 21 residues pruned to eliminate duplicates X: 9 14.978 1.969 0.635 0.844 0.750 0.625 O 1.632 8 residues pruned to eliminate duplicates Y: 18 19.837 1.937 0.650 0.848 0.941 0.824 CB 1.187 Z: 21 18.231 1.838 0.249 0.905 1.000 0.850 CB 1.264 Z: 16 17.178 1.880 0.190 0.926 1.000 1.000 O 1.390 Z: 17 22.059 2.046 0.528 0.910 1.000 0.875 CB 1.251 17 residues pruned to eliminate duplicates Z: 17 16.084 1.924 0.345 0.911 1.000 0.750 CB 1.101 17 residues pruned to eliminate duplicates Z: 16 28.942 2.133 0.941 0.929 1.000 0.867 CB 1.263 16 residues pruned to eliminate duplicates Z: 20 26.880 2.054 0.403 0.920 1.000 0.842 CB 1.508 20 residues pruned to eliminate duplicates Z: 20 23.344 1.940 0.507 0.918 1.000 0.947 CB 1.293 20 residues pruned to eliminate duplicates Z: 18 24.036 1.865 0.495 0.900 1.000 0.941 CB 1.493 Z: 20 22.532 1.945 0.616 0.919 0.947 0.947 CB 1.224 Z: 19 24.038 1.952 1.024 0.887 1.000 0.611 CB 1.034 17 residues pruned to eliminate duplicates Z: 20 24.798 1.913 0.671 0.886 0.947 0.789 CB 1.356 21 residues pruned to eliminate duplicates Z: 18 22.721 1.927 0.672 0.919 0.941 0.882 CB 1.281 18 residues pruned to eliminate duplicates Z: 23 23.055 1.957 0.555 0.910 0.955 0.909 CB 1.200 23 residues pruned to eliminate duplicates Z: 16 12.717 1.792 0.245 0.879 0.933 0.800 CB 1.143 15 residues pruned to eliminate duplicates Z: 19 22.575 1.964 0.668 0.874 0.944 0.833 CB 1.252 Z: 36 20.888 1.882 0.577 0.667 0.800 0.571 CB 1.275 16 residues pruned to eliminate duplicates Z: 19 24.233 1.971 0.570 0.929 1.000 0.889 CB 1.292 19 residues pruned to eliminate duplicates Z: 12 12.566 1.949 0.507 0.897 1.000 0.727 CB 0.923 Z: 20 22.795 1.931 0.683 0.908 1.000 0.895 CB 1.143 19 residues pruned to eliminate duplicates Z: 20 22.296 1.894 0.442 0.908 1.000 0.895 CB 1.331 20 residues pruned to eliminate duplicates Z: 16 16.076 1.825 0.612 0.816 1.000 0.600 CB 1.073 13 residues pruned to eliminate duplicates Z: 20 19.479 1.858 0.528 0.864 1.000 0.842 CB 1.154 17 residues pruned to eliminate duplicates Z: 18 20.918 1.905 0.439 0.893 1.000 0.824 CB 1.329 18 residues pruned to eliminate duplicates Z: 21 23.353 1.932 0.606 0.918 0.950 0.850 CB 1.249 21 residues pruned to eliminate duplicates Z: 21 30.122 1.986 0.586 0.888 1.000 0.750 CB 1.541 21 residues pruned to eliminate duplicates Z: 16 20.269 1.940 0.634 0.930 1.000 0.867 CB 1.154 16 residues pruned to eliminate duplicates Z: 23 23.127 1.819 0.876 0.889 0.909 0.727 CB 1.145 21 residues pruned to eliminate duplicates Z: 20 22.000 1.745 0.606 0.917 1.000 1.000 CB 1.271 Z: 13 23.356 1.974 0.777 0.912 0.917 0.917 CB 1.485 13 residues pruned to eliminate duplicates Z: 19 26.048 2.036 0.556 0.919 1.000 1.000 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 22.514 1.854 0.612 0.918 1.000 0.800 CB 1.188 21 residues pruned to eliminate duplicates Z: 12 11.910 1.717 0.792 0.817 0.909 0.818 CB 0.975 Z: 19 22.317 1.913 0.568 0.872 1.000 0.722 CB 1.278 19 residues pruned to eliminate duplicates Z: 20 16.895 1.885 0.365 0.808 1.000 0.737 CB 1.153 19 residues pruned to eliminate duplicates Z: 15 16.594 1.843 0.295 0.921 1.000 0.929 CB 1.308 13 residues pruned to eliminate duplicates Z: 17 25.134 2.050 0.717 0.921 1.000 0.938 CB 1.256 17 residues pruned to eliminate duplicates Z: 21 17.957 1.916 0.215 0.771 0.950 0.850 CB 1.429 19 residues pruned to eliminate duplicates Z: 18 22.089 1.942 0.633 0.864 1.000 0.765 CB 1.239 19 residues pruned to eliminate duplicates Z: 17 13.195 1.857 -0.028 0.883 1.000 1.000 O 1.321 18 residues pruned to eliminate duplicates Z: 12 9.867 1.809 0.060 0.890 1.000 0.727 CB 1.116 12 residues pruned to eliminate duplicates Z: 24 31.763 1.964 0.776 0.940 1.000 0.609 CB 1.319 23 residues pruned to eliminate duplicates Z: 19 19.179 2.025 0.948 0.939 1.000 0.778 CB 0.797 18 residues pruned to eliminate duplicates Z: 19 28.852 2.089 0.627 0.865 0.944 0.889 CB 1.553 19 residues pruned to eliminate duplicates Z: 13 18.524 1.740 0.721 0.881 1.000 0.917 CB 1.293 Z: 15 19.211 1.882 0.550 0.928 1.000 1.000 CB 1.232 14 residues pruned to eliminate duplicates Z: 17 23.366 1.889 0.524 0.888 1.000 0.875 CB 1.462 17 residues pruned to eliminate duplicates Z: 18 19.397 1.943 0.477 0.827 0.941 0.765 CB 1.312 Z: 19 26.143 2.032 0.505 0.924 1.000 1.000 CB 1.414 18 residues pruned to eliminate duplicates Z: 22 22.455 1.928 0.836 0.875 0.952 0.857 CB 1.057 21 residues pruned to eliminate duplicates Z: 17 19.561 1.931 0.531 0.853 0.938 0.750 CB 1.304 12 residues pruned to eliminate duplicates Z: 19 19.188 1.979 0.558 0.923 0.944 0.778 CB 1.091 16 residues pruned to eliminate duplicates Z: 15 17.551 1.910 0.537 0.842 0.857 0.500 CB 1.388 14 residues pruned to eliminate duplicates Z: 19 31.336 2.064 0.720 0.891 1.000 0.833 CB 1.496 19 residues pruned to eliminate duplicates Z: 20 29.364 1.929 0.952 0.903 1.000 0.684 CB 1.275 21 residues pruned to eliminate duplicates Z: 24 28.411 1.947 0.661 0.913 1.000 0.696 CB 1.297 24 residues pruned to eliminate duplicates Z: 9 11.472 1.730 0.290 0.872 0.875 0.875 N 1.515 7 1.277 1.927 0.499 0.878 1.000 1.000 CB 0.131 ? Z: 17 15.138 1.855 0.111 0.878 1.000 0.812 CB 1.332 Z: 21 25.646 1.948 0.606 0.828 1.000 0.850 CB 1.380 21 residues pruned to eliminate duplicates Z: 24 27.208 1.944 0.704 0.898 0.913 0.783 CB 1.342 24 residues pruned to eliminate duplicates Z: 11 6.210 1.808 0.220 0.504 0.700 0.500 CB 1.267 Z: 19 20.736 1.983 0.603 0.844 1.000 0.611 CB 1.144 19 residues pruned to eliminate duplicates Z: 23 28.746 2.000 0.675 0.930 0.955 0.818 CB 1.339 23 residues pruned to eliminate duplicates Z: 17 17.963 1.851 0.286 0.882 1.000 0.938 CB 1.365 17 residues pruned to eliminate duplicates Z: 17 22.266 1.890 0.551 0.904 1.000 0.938 CB 1.352 17 residues pruned to eliminate duplicates Z: 23 23.591 1.872 0.570 0.844 1.000 0.682 CB 1.274 21 residues pruned to eliminate duplicates Z: 19 18.249 1.948 0.765 0.881 1.000 0.722 CB 0.906 Z: 16 21.746 1.885 0.553 0.916 1.000 0.867 CB 1.354 Z: 16 23.983 2.025 0.423 0.941 1.000 1.000 CB 1.490 16 residues pruned to eliminate duplicates Z: 12 18.795 1.906 0.691 0.921 1.000 0.909 CB 1.237 12 residues pruned to eliminate duplicates Z: 20 20.438 1.753 0.485 0.906 1.000 0.842 CB 1.281 18 residues pruned to eliminate duplicates Z: 18 17.802 1.852 0.373 0.929 0.941 0.941 CB 1.263 18 residues pruned to eliminate duplicates Z: 6 2.365 1.576 0.364 0.442 0.600 0.400 CB 0.871 Z: 21 26.029 1.952 0.847 0.927 1.000 0.800 CB 1.131 21 residues pruned to eliminate duplicates Z: 20 25.482 1.998 0.637 0.919 0.947 0.947 CB 1.330 20 residues pruned to eliminate duplicates Z: 19 26.125 2.028 0.554 0.869 1.000 0.889 CB 1.428 19 residues pruned to eliminate duplicates Z: 14 14.860 1.806 0.352 0.900 1.000 0.615 CB 1.206 Z: 7 4.545 1.634 0.253 0.458 0.833 0.500 CB 1.135 Z: 11 10.955 2.076 0.247 0.869 0.900 0.700 CB 1.086 11 residues pruned to eliminate duplicates Z: 19 19.579 1.920 0.706 0.892 1.000 0.722 CB 1.012 19 residues pruned to eliminate duplicates Z: 13 12.800 1.753 0.589 0.896 0.917 0.917 CB 1.036 Z: 14 17.899 1.731 0.653 0.876 1.000 1.000 CB 1.261 14 residues pruned to eliminate duplicates Z: 22 20.743 1.853 0.775 0.878 0.952 0.762 CB 1.048 22 residues pruned to eliminate duplicates Z: 24 26.739 1.943 0.741 0.901 0.957 0.870 CB 1.230 24 residues pruned to eliminate duplicates Z: 17 24.484 1.855 0.835 0.921 1.000 0.750 CB 1.266 Z: 12 18.695 1.886 0.567 0.905 1.000 0.818 CB 1.357 9 residues pruned to eliminate duplicates Z: 19 25.402 2.007 0.518 0.916 1.000 1.000 CB 1.387 19 residues pruned to eliminate duplicates Z: 22 28.302 1.963 0.817 0.843 0.952 0.714 CB 1.354 22 residues pruned to eliminate duplicates Z: 22 25.630 2.004 0.537 0.920 0.952 0.857 CB 1.342 22 residues pruned to eliminate duplicates Z: 16 17.417 1.720 0.777 0.841 0.933 0.800 CB 1.176 Z: 25 19.780 1.873 0.590 0.878 0.875 0.750 CB 1.125 24 residues pruned to eliminate duplicates Z: 19 28.233 1.932 0.901 0.931 0.944 0.611 CB 1.341 19 residues pruned to eliminate duplicates Z: 14 21.715 2.006 0.455 0.912 1.000 0.923 CB 1.461 14 residues pruned to eliminate duplicates Z: 22 14.404 1.728 0.138 0.902 1.000 0.905 CB 1.140 22 residues pruned to eliminate duplicates Z: 17 17.580 1.865 0.258 0.932 1.000 1.000 CB 1.308 17 residues pruned to eliminate duplicates Z: 7 17.774 2.095 0.607 0.855 1.000 1.000 CB 1.591 7 residues pruned to eliminate duplicates Z: 33 18.085 1.875 0.380 0.631 0.844 0.688 CB 1.295 33 residues pruned to eliminate duplicates Z: 20 17.448 1.808 0.645 0.917 0.947 0.789 CB 1.003 Z: 22 24.398 1.942 0.890 0.869 0.905 0.714 CB 1.171 22 residues pruned to eliminate duplicates Z: 15 17.859 1.873 0.586 0.877 1.000 0.786 CB 1.167 15 residues pruned to eliminate duplicates Z: 20 23.702 1.923 0.492 0.930 1.000 0.947 CB 1.325 20 residues pruned to eliminate duplicates Z: 25 25.512 1.880 0.805 0.896 0.958 0.750 CB 1.147 25 residues pruned to eliminate duplicates Z: 14 16.648 1.959 0.571 0.758 0.846 0.769 CB 1.409 14 residues pruned to eliminate duplicates Z: 7 4.561 1.421 0.782 0.815 0.667 0.500 CB 0.838 Z: 26 29.175 1.884 0.792 0.902 1.000 0.800 CB 1.233 24 residues pruned to eliminate duplicates Z: 20 22.514 1.954 0.699 0.901 0.947 0.737 CB 1.173 21 residues pruned to eliminate duplicates Z: 15 17.386 1.781 0.647 0.899 0.929 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 8 2.646 1.516 0.147 0.238 0.714 0.429 CB 1.093 Z: 20 18.899 1.900 1.150 0.881 0.947 0.474 CB 0.811 19 residues pruned to eliminate duplicates Z: 19 18.958 1.960 0.717 0.926 1.000 0.889 CB 0.931 19 residues pruned to eliminate duplicates Z: 19 24.631 2.004 0.607 0.906 1.000 0.889 CB 1.283 19 residues pruned to eliminate duplicates Z: 15 22.184 2.029 0.355 0.888 1.000 0.929 CB 1.553 15 residues pruned to eliminate duplicates Z: 24 29.928 1.952 0.732 0.939 1.000 0.870 CB 1.282 24 residues pruned to eliminate duplicates Z: 10 7.189 1.760 0.613 0.404 0.889 0.333 CB 1.050 Z: 36 21.081 1.877 0.383 0.683 0.886 0.629 CB 1.310 31 residues pruned to eliminate duplicates Z: 20 17.371 1.848 0.472 0.870 1.000 0.789 CB 1.070 20 residues pruned to eliminate duplicates Z: 18 24.061 2.023 0.531 0.886 1.000 0.941 CB 1.360 19 residues pruned to eliminate duplicates Z: 20 27.852 1.893 0.764 0.919 1.000 0.842 CB 1.348 20 residues pruned to eliminate duplicates Z: 22 21.473 1.979 0.575 0.882 0.905 0.619 CB 1.202 22 residues pruned to eliminate duplicates Z: 18 15.756 1.827 0.145 0.831 1.000 0.824 CB 1.372 18 residues pruned to eliminate duplicates Z: 19 15.552 1.831 0.881 0.867 0.889 0.722 CB 0.876 19 residues pruned to eliminate duplicates Z: 19 20.289 1.799 0.670 0.848 0.944 0.833 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 16.964 1.827 0.623 0.748 0.889 0.778 CB 1.215 19 residues pruned to eliminate duplicates Z: 15 16.236 1.865 0.468 0.927 1.000 1.000 CB 1.111 15 residues pruned to eliminate duplicates Z: 23 26.776 2.002 0.610 0.899 0.955 0.727 CB 1.326 23 residues pruned to eliminate duplicates Z: 15 17.198 1.870 0.413 0.921 1.000 0.929 CB 1.224 15 residues pruned to eliminate duplicates Z: 24 25.006 1.972 0.389 0.917 1.000 0.783 CB 1.343 24 residues pruned to eliminate duplicates Z: 19 22.114 1.922 0.507 0.927 1.000 0.944 CB 1.261 20 residues pruned to eliminate duplicates Z: 21 22.589 2.024 0.679 0.795 0.900 0.800 CB 1.275 21 residues pruned to eliminate duplicates Z: 11 14.134 2.068 0.895 0.913 1.000 0.900 CB 0.807 11 residues pruned to eliminate duplicates Z: 16 13.918 1.740 0.651 0.906 0.933 0.933 CB 0.953 Z: 19 18.877 1.931 0.376 0.925 1.000 0.889 CB 1.175 18 residues pruned to eliminate duplicates Z: 11 10.021 1.769 0.369 0.853 0.900 0.700 CB 1.074 Z: 12 5.829 1.512 0.779 0.296 0.727 0.273 CB 1.129 Z: 14 21.967 1.893 0.816 0.880 0.923 0.615 CB 1.392 14 residues pruned to eliminate duplicates Z: 18 15.335 1.894 0.259 0.862 0.882 0.765 CB 1.299 18 residues pruned to eliminate duplicates Z: 17 29.884 1.932 0.836 0.870 1.000 0.812 CB 1.537 20 residues pruned to eliminate duplicates Z: 11 14.991 1.868 0.322 0.822 0.900 0.800 CB 1.614 11 residues pruned to eliminate duplicates Z: 18 23.305 1.993 0.760 0.897 0.941 0.706 CB 1.226 19 residues pruned to eliminate duplicates Z: 10 12.317 1.914 0.870 0.870 1.000 0.667 CB 0.838 11 residues pruned to eliminate duplicates Z: 18 25.979 1.959 1.067 0.912 0.941 0.765 CB 1.171 18 residues pruned to eliminate duplicates Z: 17 18.822 1.999 1.032 0.909 1.000 0.750 CB 0.822 17 residues pruned to eliminate duplicates Z: 40 29.249 1.936 0.699 0.841 0.923 0.744 CB 1.150 45 residues pruned to eliminate duplicates Z: 14 14.669 1.703 0.324 0.933 1.000 0.923 CB 1.260 Z: 25 26.145 1.883 0.845 0.903 0.958 0.792 CB 1.143 25 residues pruned to eliminate duplicates Z: 16 16.965 1.808 0.613 0.866 0.933 0.800 CB 1.178 14 residues pruned to eliminate duplicates Z: 17 16.622 1.876 0.295 0.897 1.000 0.875 CB 1.225 17 residues pruned to eliminate duplicates Z: 17 17.112 1.896 0.523 0.833 0.938 0.750 CB 1.185 17 residues pruned to eliminate duplicates Z: 17 23.045 2.032 0.959 0.924 1.000 0.625 CB 1.017 17 residues pruned to eliminate duplicates Z: 24 26.498 1.961 0.423 0.920 1.000 0.957 CB 1.395 24 residues pruned to eliminate duplicates Z: 18 15.672 1.865 0.178 0.910 1.000 0.882 CB 1.227 18 residues pruned to eliminate duplicates Z: 19 21.568 1.973 0.448 0.914 1.000 0.833 CB 1.259 19 residues pruned to eliminate duplicates Z: 24 27.902 1.976 0.756 0.916 0.957 0.826 CB 1.237 24 residues pruned to eliminate duplicates Z: 13 16.954 1.875 0.655 0.799 0.917 0.667 CB 1.325 13 residues pruned to eliminate duplicates Z: 8 4.217 1.610 0.496 0.331 0.857 0.571 CB 0.929 Z: 6 7.687 1.615 0.770 0.800 0.800 0.800 CB 1.157 7 residues pruned to eliminate duplicates Z: 18 22.776 1.961 0.727 0.902 1.000 0.588 CB 1.164 19 residues pruned to eliminate duplicates Z: 7 2.488 1.931 0.208 0.709 0.667 0.500 CB 0.540 Z: 22 22.971 1.851 0.524 0.931 1.000 0.905 CB 1.243 18 residues pruned to eliminate duplicates Z: 10 14.217 1.796 0.467 0.872 1.000 0.667 CB 1.311 10 residues pruned to eliminate duplicates 6 1.618 1.924 0.801 0.878 1.000 1.000 CB 0.151 ? Z: 11 18.451 1.850 0.780 0.896 1.000 1.000 CB 1.270 11 residues pruned to eliminate duplicates Z: 17 23.491 1.916 0.611 0.922 1.000 0.875 CB 1.338 17 residues pruned to eliminate duplicates Z: 26 28.477 1.960 0.686 0.855 0.920 0.840 CB 1.383 26 residues pruned to eliminate duplicates Z: 18 27.841 2.018 0.993 0.937 1.000 0.882 CB 1.168 18 residues pruned to eliminate duplicates Z: 21 21.253 1.913 0.523 0.928 0.950 0.900 CB 1.203 21 residues pruned to eliminate duplicates Z: 26 22.744 1.943 0.540 0.828 0.960 0.800 CB 1.192 26 residues pruned to eliminate duplicates Z: 21 24.026 1.976 0.666 0.897 1.000 0.750 CB 1.168 20 residues pruned to eliminate duplicates Z: 10 14.554 1.942 0.448 0.916 1.000 1.000 CB 1.218 Z: 6 4.230 2.117 -0.109 0.852 1.000 1.000 CB 0.742 Z: 18 17.741 1.779 0.410 0.893 1.000 0.941 CB 1.232 Z: 16 13.532 1.727 0.824 0.904 1.000 0.933 CB 0.790 16 residues pruned to eliminate duplicates Z: 19 16.691 1.795 0.441 0.897 0.944 0.889 CB 1.152 10 residues pruned to eliminate duplicates Z: 7 3.189 2.062 0.451 0.859 1.000 0.500 CB 0.320 7 residues pruned to eliminate duplicates Z: 18 28.342 2.044 0.608 0.920 1.000 0.941 CB 1.473 18 residues pruned to eliminate duplicates Z: 13 9.090 1.616 0.675 0.751 1.000 0.667 CB 0.775 Z: 21 21.012 1.703 0.681 0.869 0.950 0.700 CB 1.262 19 residues pruned to eliminate duplicates Z: 20 18.775 1.873 0.665 0.896 1.000 0.947 CB 0.989 20 residues pruned to eliminate duplicates Z: 18 24.544 1.835 0.652 0.895 1.000 0.882 CB 1.408 18 residues pruned to eliminate duplicates Z: 17 21.634 1.871 0.809 0.904 1.000 0.938 CB 1.138 17 residues pruned to eliminate duplicates Z: 8 6.752 1.845 0.752 0.776 0.857 0.714 CB 0.722 6 residues pruned to eliminate duplicates Z: 19 24.738 1.885 0.699 0.883 0.944 0.833 CB 1.393 19 residues pruned to eliminate duplicates Z: 18 13.731 1.858 0.265 0.853 0.941 0.824 CB 1.112 17 residues pruned to eliminate duplicates Z: 17 12.290 1.812 0.658 0.939 1.000 0.812 CB 0.711 Z: 17 22.612 1.843 0.758 0.902 1.000 0.500 CB 1.244 18 residues pruned to eliminate duplicates Z: 7 4.785 1.689 0.263 0.313 0.833 0.333 CB 1.352 Z: 20 17.344 1.828 0.672 0.901 0.895 0.842 CB 1.039 Z: 18 22.600 1.847 0.730 0.922 1.000 0.824 CB 1.206 20 residues pruned to eliminate duplicates Z: 8 9.984 1.831 0.500 0.602 1.000 0.857 CB 1.246 8 residues pruned to eliminate duplicates Z: 17 18.963 1.835 0.579 0.893 1.000 0.812 CB 1.175 18 residues pruned to eliminate duplicates Z: 20 20.214 1.981 0.343 0.868 1.000 0.842 CB 1.274 20 residues pruned to eliminate duplicates Z: 10 4.798 1.638 0.367 0.292 0.778 0.222 CB 1.159 10 residues pruned to eliminate duplicates Z: 17 6.744 1.709 0.525 0.511 0.875 0.250 CB 0.731 Z: 19 17.909 1.836 0.295 0.915 1.000 0.889 CB 1.254 18 residues pruned to eliminate duplicates Z: 20 16.671 1.788 0.480 0.879 1.000 0.947 CB 1.048 20 residues pruned to eliminate duplicates Z: 18 14.086 1.583 0.527 0.882 1.000 1.000 CB 1.023 13 residues pruned to eliminate duplicates Z: 16 26.159 1.961 0.851 0.945 1.000 1.000 CB 1.288 17 residues pruned to eliminate duplicates Z: 15 11.159 1.788 0.369 0.821 1.000 0.929 CB 0.922 15 residues pruned to eliminate duplicates Z: 17 24.778 1.842 0.734 0.912 1.000 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 14 12.799 1.809 0.498 0.821 0.769 0.769 CB 1.289 14 residues pruned to eliminate duplicates Z: 8 11.334 1.957 0.348 0.825 1.000 0.714 CB 1.225 8 residues pruned to eliminate duplicates Z: 6 2.431 1.457 0.884 0.401 0.400 0.400 CB 1.099 Z: 17 12.486 1.654 0.356 0.909 1.000 0.938 CB 0.988 16 residues pruned to eliminate duplicates Z: 18 15.334 1.912 0.173 0.901 1.000 0.882 CB 1.184 18 residues pruned to eliminate duplicates Z: 11 11.944 1.599 0.637 0.792 0.900 0.800 O 1.241 11 residues pruned to eliminate duplicates Z: 20 14.683 1.879 0.496 0.838 0.842 0.842 CB 1.063 20 residues pruned to eliminate duplicates Z: 18 16.609 1.867 0.520 0.860 0.941 0.765 CB 1.110 18 residues pruned to eliminate duplicates Z: 16 21.175 1.869 0.738 0.895 1.000 0.867 CB 1.206 20 residues pruned to eliminate duplicates Z: 12 14.561 1.875 0.781 0.842 1.000 0.727 CB 0.980 12 residues pruned to eliminate duplicates Z: 17 26.976 2.046 0.887 0.904 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 12 17.578 1.828 0.761 0.863 1.000 0.818 CB 1.208 12 residues pruned to eliminate duplicates Z: 24 30.020 1.958 0.910 0.927 1.000 0.609 CB 1.173 24 residues pruned to eliminate duplicates Z: 20 20.766 1.976 0.526 0.913 1.000 0.842 CB 1.118 20 residues pruned to eliminate duplicates Z: 22 20.811 1.719 0.866 0.883 0.952 0.667 CB 1.075 16 residues pruned to eliminate duplicates 6 1.424 1.287 0.463 0.254 0.600 0.400 CB 0.747 ? Z: 12 9.306 1.750 0.211 0.871 0.909 0.818 CB 1.062 12 residues pruned to eliminate duplicates Z: 22 21.933 1.871 0.617 0.857 0.905 0.810 CB 1.288 22 residues pruned to eliminate duplicates Z: 24 19.420 1.856 0.771 0.841 0.913 0.739 CB 1.006 24 residues pruned to eliminate duplicates Z: 6 5.071 1.966 0.726 0.481 1.000 0.600 CB 0.681 6 residues pruned to eliminate duplicates Z: 20 22.243 1.913 0.815 0.877 1.000 0.842 CB 1.067 12 residues pruned to eliminate duplicates Z: 17 19.911 1.862 0.541 0.898 1.000 0.875 CB 1.240 18 residues pruned to eliminate duplicates Z: 10 20.480 2.004 0.630 0.898 1.000 0.667 CB 1.495 10 residues pruned to eliminate duplicates Z: 17 13.165 1.767 0.203 0.836 1.000 0.938 CB 1.159 17 residues pruned to eliminate duplicates Z: 16 20.543 1.982 0.716 0.913 0.933 0.867 CB 1.183 16 residues pruned to eliminate duplicates Z: 19 20.882 1.969 0.770 0.913 0.944 0.667 CB 1.058 19 residues pruned to eliminate duplicates Z: 23 23.771 1.843 0.637 0.887 0.955 0.909 CB 1.270 22 residues pruned to eliminate duplicates Z: 18 19.277 1.751 0.714 0.856 0.941 0.706 CB 1.221 19 residues pruned to eliminate duplicates Z: 20 27.744 1.963 0.713 0.932 1.000 0.842 CB 1.322 20 residues pruned to eliminate duplicates Z: 14 17.620 1.869 0.684 0.924 1.000 0.846 CB 1.091 14 residues pruned to eliminate duplicates Z: 17 28.785 1.937 0.804 0.942 1.000 0.938 CB 1.429 19 residues pruned to eliminate duplicates Z: 14 16.629 1.704 0.563 0.878 1.000 0.692 CB 1.257 6 residues pruned to eliminate duplicates Z: 11 14.659 1.875 0.637 0.878 0.900 0.700 CB 1.218 11 residues pruned to eliminate duplicates Z: 14 13.148 1.719 0.352 0.880 0.923 0.769 CB 1.232 13 residues pruned to eliminate duplicates Z: 21 20.895 1.774 0.685 0.918 1.000 0.950 CB 1.102 21 residues pruned to eliminate duplicates Z: 18 26.627 1.998 0.819 0.915 1.000 0.941 CB 1.256 19 residues pruned to eliminate duplicates Z: 19 21.660 1.949 0.700 0.909 0.944 0.611 CB 1.158 19 residues pruned to eliminate duplicates Z: 20 16.119 1.779 0.877 0.871 0.947 0.737 CB 0.853 20 residues pruned to eliminate duplicates Z: 17 17.645 1.835 0.320 0.914 1.000 0.812 CB 1.288 19 residues pruned to eliminate duplicates Z: 23 26.651 1.839 0.682 0.941 1.000 1.000 CB 1.275 23 residues pruned to eliminate duplicates Z: 18 14.716 1.841 0.293 0.868 1.000 0.824 CB 1.096 16 residues pruned to eliminate duplicates Z: 11 17.756 1.831 0.877 0.878 0.900 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 18 19.219 1.855 0.490 0.808 1.000 0.824 CB 1.289 19 residues pruned to eliminate duplicates Z: 18 20.020 1.787 0.789 0.860 0.941 0.588 CB 1.187 18 residues pruned to eliminate duplicates Z: 17 16.222 1.795 0.459 0.876 1.000 0.875 CB 1.125 16 residues pruned to eliminate duplicates Z: 21 19.881 1.885 0.382 0.917 1.000 0.900 CB 1.204 21 residues pruned to eliminate duplicates Z: 15 12.511 1.640 0.298 0.943 1.000 0.929 CB 1.089 14 residues pruned to eliminate duplicates Z: 21 26.343 1.887 0.739 0.879 0.950 0.750 CB 1.370 21 residues pruned to eliminate duplicates Z: 7 4.278 1.770 0.072 0.892 1.000 1.000 CB 0.661 Z: 10 11.375 1.798 0.991 0.864 0.778 0.556 CB 0.999 10 residues pruned to eliminate duplicates Z: 13 17.773 1.772 0.496 0.903 1.000 0.917 CB 1.380 16 residues pruned to eliminate duplicates Z: 20 24.224 1.890 0.753 0.892 1.000 0.789 CB 1.205 21 residues pruned to eliminate duplicates Z: 8 3.228 1.554 0.060 0.596 0.571 0.286 CB 1.183 8 residues pruned to eliminate duplicates Z: 17 22.635 1.993 0.608 0.896 1.000 0.875 CB 1.265 17 residues pruned to eliminate duplicates Z: 21 21.258 1.727 0.953 0.859 1.000 0.650 CB 1.037 18 residues pruned to eliminate duplicates Z: 20 17.828 1.869 0.343 0.885 0.947 0.684 CB 1.242 20 residues pruned to eliminate duplicates Z: 15 15.056 1.834 0.801 0.759 0.857 0.500 CB 1.128 15 residues pruned to eliminate duplicates Z: 20 15.303 1.781 0.725 0.827 0.895 0.632 CB 0.962 20 residues pruned to eliminate duplicates Z: 20 25.055 1.930 0.627 0.857 0.947 0.684 CB 1.424 20 residues pruned to eliminate duplicates 8 1.236 1.769 0.197 0.803 1.000 0.857 CB 0.169 ? Z: 21 20.890 1.833 0.463 0.898 1.000 0.850 CB 1.245 21 residues pruned to eliminate duplicates Z: 19 25.108 2.004 0.831 0.933 1.000 0.667 CB 1.125 19 residues pruned to eliminate duplicates Z: 19 20.592 1.939 0.539 0.929 1.000 0.889 CB 1.139 19 residues pruned to eliminate duplicates Z: 9 4.223 1.764 1.264 0.887 1.000 0.500 CB 0.270 Z: 18 24.078 1.861 0.808 0.889 1.000 0.647 CB 1.250 18 residues pruned to eliminate duplicates Z: 18 16.590 1.858 0.416 0.904 1.000 0.706 CB 1.089 18 residues pruned to eliminate duplicates Z: 21 26.695 2.038 0.667 0.813 0.950 0.900 CB 1.409 18 residues pruned to eliminate duplicates Z: 19 22.835 1.801 1.003 0.879 0.889 0.278 CB 1.216 19 residues pruned to eliminate duplicates Z: 17 18.264 1.758 0.461 0.885 1.000 0.688 CB 1.284 17 residues pruned to eliminate duplicates Z: 18 22.444 2.030 1.028 0.878 0.941 0.706 CB 1.020 18 residues pruned to eliminate duplicates Z: 24 23.620 1.880 0.815 0.888 0.913 0.609 CB 1.139 24 residues pruned to eliminate duplicates Z: 19 13.034 1.781 0.630 0.910 1.000 0.778 CB 0.750 18 residues pruned to eliminate duplicates Z: 19 17.623 1.909 0.359 0.896 0.944 0.833 CB 1.214 19 residues pruned to eliminate duplicates Z: 10 4.144 1.768 0.697 0.345 0.667 0.222 CB 0.818 Z: 11 15.070 1.840 1.029 0.933 1.000 0.500 CB 0.891 12 residues pruned to eliminate duplicates Z: 14 14.600 1.958 0.539 0.877 0.846 0.769 CB 1.153 14 residues pruned to eliminate duplicates Z: 18 14.757 1.938 0.764 0.893 0.882 0.765 CB 0.852 18 residues pruned to eliminate duplicates Z: 17 14.883 1.996 0.461 0.931 1.000 1.000 CB 0.892 17 residues pruned to eliminate duplicates Z: 21 12.086 1.705 0.785 0.498 0.750 0.400 CB 1.186 21 residues pruned to eliminate duplicates Z: 16 14.894 1.772 0.517 0.771 0.933 0.533 CB 1.207 16 residues pruned to eliminate duplicates Z: 15 19.910 2.014 0.545 0.707 0.929 0.571 CB 1.526 15 residues pruned to eliminate duplicates Z: 7 8.500 1.618 0.262 0.822 1.000 0.833 O 1.286 7 residues pruned to eliminate duplicates Z: 15 14.710 1.783 0.401 0.854 0.857 0.786 CB 1.356 13 residues pruned to eliminate duplicates Z: 14 14.370 1.689 0.459 0.884 1.000 0.692 CB 1.168 14 residues pruned to eliminate duplicates Z: 7 4.439 1.635 0.830 0.827 1.000 0.667 CB 0.456 Z: 17 20.584 1.835 0.811 0.909 1.000 0.688 CB 1.099 18 residues pruned to eliminate duplicates Z: 12 14.708 1.746 0.481 0.912 1.000 1.000 CB 1.215 12 residues pruned to eliminate duplicates Z: 18 15.611 1.741 0.452 0.856 1.000 0.824 CB 1.104 18 residues pruned to eliminate duplicates Z: 14 17.286 1.828 0.576 0.829 0.923 0.615 CB 1.357 16 residues pruned to eliminate duplicates Z: 18 25.766 1.808 0.681 0.920 1.000 0.824 CB 1.448 20 residues pruned to eliminate duplicates Z: 23 18.933 1.908 0.533 0.643 0.909 0.727 CB 1.328 23 residues pruned to eliminate duplicates Z: 18 19.990 1.788 0.691 0.898 0.941 0.765 CB 1.219 17 residues pruned to eliminate duplicates Z: 19 17.418 1.789 0.794 0.933 0.944 0.833 CB 0.945 19 residues pruned to eliminate duplicates Z: 18 25.066 1.999 0.810 0.875 1.000 0.706 CB 1.222 18 residues pruned to eliminate duplicates Z: 30 21.023 1.968 0.578 0.602 0.793 0.586 CB 1.438 27 residues pruned to eliminate duplicates Z: 17 13.767 1.799 0.516 0.910 1.000 0.750 CB 0.895 17 residues pruned to eliminate duplicates Z: 16 24.743 1.925 0.820 0.919 1.000 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 19 15.231 1.646 0.784 0.904 0.944 0.889 CB 0.922 19 residues pruned to eliminate duplicates Z: 20 24.758 1.842 0.765 0.907 1.000 0.632 CB 1.242 19 residues pruned to eliminate duplicates Z: 18 25.074 1.955 0.646 0.922 1.000 0.941 CB 1.329 18 residues pruned to eliminate duplicates Z: 18 13.749 1.783 0.334 0.883 1.000 0.882 CB 1.013 18 residues pruned to eliminate duplicates Z: 6 3.130 1.702 0.620 0.332 0.600 0.400 CB 1.017 Z: 19 29.275 1.979 0.744 0.922 1.000 0.833 CB 1.406 21 residues pruned to eliminate duplicates Z: 17 19.594 1.824 0.544 0.879 0.938 0.625 CB 1.345 17 residues pruned to eliminate duplicates Z: 18 25.539 1.836 0.942 0.918 1.000 0.882 CB 1.225 19 residues pruned to eliminate duplicates Z: 18 22.434 1.898 0.719 0.921 0.882 0.647 CB 1.330 18 residues pruned to eliminate duplicates Z: 17 11.265 1.707 0.600 0.902 1.000 0.750 CB 0.735 16 residues pruned to eliminate duplicates Z: 11 18.516 1.907 0.764 0.870 1.000 0.800 CB 1.271 11 residues pruned to eliminate duplicates Z: 17 18.345 1.867 0.634 0.922 1.000 0.938 CB 1.057 17 residues pruned to eliminate duplicates Z: 20 19.274 1.783 0.783 0.895 0.947 0.474 CB 1.052 21 residues pruned to eliminate duplicates Z: 17 15.176 1.818 0.242 0.821 0.938 0.688 CB 1.357 17 residues pruned to eliminate duplicates Z: 12 12.329 1.770 0.561 0.858 0.909 0.818 CB 1.089 12 residues pruned to eliminate duplicates Z: 19 20.997 1.979 0.484 0.895 1.000 0.889 CB 1.208 19 residues pruned to eliminate duplicates Z: 15 18.230 1.785 0.567 0.861 1.000 0.714 CB 1.280 20 residues pruned to eliminate duplicates Z: 13 18.657 1.767 0.686 0.906 1.000 0.833 CB 1.286 13 residues pruned to eliminate duplicates Z: 6 3.924 1.814 0.370 0.769 0.600 0.400 CB 0.928 6 residues pruned to eliminate duplicates Z: 16 16.327 1.642 0.624 0.873 1.000 0.800 CB 1.151 13 residues pruned to eliminate duplicates Z: 21 24.884 1.982 0.923 0.897 0.950 0.700 CB 1.100 21 residues pruned to eliminate duplicates Z: 20 16.246 1.756 0.831 0.910 1.000 0.579 CB 0.822 19 residues pruned to eliminate duplicates Z: 6 9.460 1.583 0.991 0.545 1.000 0.600 CB 1.284 Z: 18 14.130 1.792 0.237 0.816 0.941 0.529 CB 1.248 18 residues pruned to eliminate duplicates Z: 16 12.551 1.782 0.541 0.768 0.933 0.600 CB 0.997 16 residues pruned to eliminate duplicates Z: 8 5.892 1.762 0.667 0.867 1.000 0.857 CB 0.554 8 residues pruned to eliminate duplicates 8 1.900 1.461 1.175 0.214 0.571 0.429 CB 0.554 ? Z: 14 13.293 1.778 0.783 0.824 0.769 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 10 8.838 1.626 0.470 0.792 0.889 0.556 CB 1.073 10 residues pruned to eliminate duplicates Z: 6 2.258 1.433 0.311 0.335 0.800 0.600 N 0.805 Z: 17 23.287 1.941 0.997 0.879 0.938 0.750 CB 1.161 17 residues pruned to eliminate duplicates Z: 6 4.592 1.438 0.985 0.375 0.800 0.400 CB 1.027 Z: 10 4.046 1.525 0.356 0.349 0.889 0.444 N 0.864 Z: 17 22.477 2.040 0.662 0.857 1.000 0.688 CB 1.222 17 residues pruned to eliminate duplicates Z: 9 2.673 1.651 0.273 0.509 1.000 0.375 CB 0.446 Z: 13 19.754 1.848 0.770 0.779 1.000 0.667 CB 1.363 14 residues pruned to eliminate duplicates Z: 8 2.768 1.583 -0.144 0.340 0.857 0.429 CB 1.072 Z: 15 17.823 1.858 0.540 0.825 1.000 0.500 CB 1.257 15 residues pruned to eliminate duplicates Z: 12 9.757 1.718 0.409 0.849 0.909 0.818 CB 0.991 12 residues pruned to eliminate duplicates 10 1.849 1.420 0.456 0.275 0.889 0.333 CB 0.433 ? Z: 18 20.800 1.970 0.757 0.617 0.882 0.529 CB 1.479 18 residues pruned to eliminate duplicates Z: 6 4.269 1.830 1.007 0.884 1.000 1.000 CB 0.376 Z: 19 25.227 1.988 0.621 0.840 0.944 0.667 CB 1.457 19 residues pruned to eliminate duplicates Z: 24 24.017 1.894 0.714 0.931 1.000 0.913 CB 1.078 24 residues pruned to eliminate duplicates Z: 23 23.145 1.967 0.676 0.919 1.000 0.955 CB 1.055 23 residues pruned to eliminate duplicates Z: 18 14.327 1.793 0.270 0.797 0.941 0.765 CB 1.250 18 residues pruned to eliminate duplicates Z: 9 2.036 1.718 0.467 0.392 0.875 0.750 CB 0.366 2 residues pruned to eliminate duplicates Z: 18 15.653 1.661 0.571 0.822 0.882 0.706 O 1.248 14 residues pruned to eliminate duplicates Z: 21 20.551 1.884 0.638 0.801 0.900 0.750 CB 1.273 21 residues pruned to eliminate duplicates 7 1.355 1.890 0.479 0.881 1.000 1.000 CB 0.143 ? Z: 7 3.759 1.603 0.200 0.433 0.833 0.500 CB 1.026 7 residues pruned to eliminate duplicates Z: 19 19.165 1.890 0.467 0.792 0.944 0.611 CB 1.335 19 residues pruned to eliminate duplicates Z: 19 22.629 1.814 0.673 0.928 1.000 0.833 CB 1.231 18 residues pruned to eliminate duplicates Z: 7 3.456 1.654 0.123 0.510 0.833 0.667 CB 0.902 Z: 20 22.663 1.868 0.656 0.907 1.000 0.895 CB 1.194 20 residues pruned to eliminate duplicates Z: 22 24.280 1.939 0.683 0.895 0.952 0.762 CB 1.222 22 residues pruned to eliminate duplicates Z: 18 20.045 1.855 0.586 0.894 1.000 0.647 CB 1.186 18 residues pruned to eliminate duplicates Z: 16 19.271 1.797 0.811 0.823 0.933 0.467 CB 1.239 16 residues pruned to eliminate duplicates Z: 17 9.200 1.727 0.760 0.353 0.750 0.438 CB 1.182 17 residues pruned to eliminate duplicates Z: 14 12.385 1.682 0.472 0.848 0.846 0.692 CB 1.216 14 residues pruned to eliminate duplicates Z: 11 4.748 1.530 0.355 0.291 0.800 0.200 CB 1.145 10 residues pruned to eliminate duplicates Z: 14 18.837 1.853 0.630 0.845 0.923 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 24 24.062 1.972 0.477 0.904 0.957 0.696 CB 1.282 24 residues pruned to eliminate duplicates Z: 7 3.285 1.534 0.647 0.247 0.667 0.333 CB 1.067 Z: 18 23.827 1.957 0.684 0.887 0.941 0.765 CB 1.343 18 residues pruned to eliminate duplicates Z: 6 5.322 1.649 0.631 0.696 0.600 0.400 CB 1.233 Z: 19 16.619 1.714 0.682 0.783 1.000 0.667 CB 1.059 19 residues pruned to eliminate duplicates Z: 23 21.844 1.835 0.655 0.903 0.955 0.818 CB 1.145 20 residues pruned to eliminate duplicates Z: 23 24.490 1.931 0.548 0.919 1.000 0.955 CB 1.231 23 residues pruned to eliminate duplicates Z: 24 21.651 1.964 0.848 0.718 0.783 0.522 CB 1.305 24 residues pruned to eliminate duplicates Z: 16 19.096 1.901 0.322 0.876 1.000 0.867 CB 1.426 16 residues pruned to eliminate duplicates Z: 9 4.321 1.477 0.497 0.446 0.875 0.500 CB 0.835 Z: 22 15.762 1.611 0.534 0.651 0.952 0.619 CB 1.270 12 residues pruned to eliminate duplicates Z: 17 16.275 1.736 0.406 0.922 1.000 1.000 CB 1.173 17 residues pruned to eliminate duplicates Z: 7 3.803 1.759 -0.065 0.320 0.833 0.333 CB 1.382 7 residues pruned to eliminate duplicates Z: 6 3.643 1.615 0.313 0.596 0.600 0.600 CB 1.169 Z: 17 15.969 1.809 0.552 0.907 1.000 0.875 CB 1.011 17 residues pruned to eliminate duplicates Z: 15 7.347 1.531 0.288 0.800 0.929 0.714 CB 0.825 14 residues pruned to eliminate duplicates Z: 12 4.223 1.546 0.087 0.365 0.818 0.636 CA 1.070 12 residues pruned to eliminate duplicates Z: 19 23.986 1.951 0.666 0.890 1.000 0.778 CB 1.251 19 residues pruned to eliminate duplicates Z: 14 22.010 1.861 0.987 0.905 1.000 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 16 13.239 1.970 0.364 0.623 0.867 0.600 CB 1.307 28 residues pruned to eliminate duplicates Z: 20 21.127 1.847 0.585 0.880 0.947 0.684 CB 1.266 20 residues pruned to eliminate duplicates Z: 8 6.052 1.554 0.409 0.675 0.857 0.286 O 1.037 7 residues pruned to eliminate duplicates Z: 23 21.677 2.009 0.669 0.644 0.864 0.727 CB 1.395 23 residues pruned to eliminate duplicates Z: 17 8.112 1.688 0.130 0.795 0.938 0.688 CB 0.875 11 residues pruned to eliminate duplicates Z: 8 5.375 1.468 0.322 0.636 0.714 0.571 CB 1.290 6 residues pruned to eliminate duplicates Z: 8 3.512 1.529 0.147 0.340 0.714 0.429 CB 1.261 Z: 22 21.410 1.757 0.760 0.886 0.952 0.667 CB 1.145 23 residues pruned to eliminate duplicates Z: 13 6.594 1.688 0.233 0.361 0.750 0.417 N 1.417 13 residues pruned to eliminate duplicates Z: 13 9.530 1.766 0.668 0.664 0.833 0.417 CB 0.963 11 residues pruned to eliminate duplicates Z: 19 15.080 1.762 0.555 0.839 0.944 0.833 CB 1.025 17 residues pruned to eliminate duplicates Z: 13 13.785 1.811 0.571 0.874 0.917 0.750 CB 1.111 13 residues pruned to eliminate duplicates Z: 8 2.003 1.262 0.143 0.330 0.714 0.143 CB 0.885 Z: 16 12.530 1.886 0.553 0.930 1.000 0.867 CB 0.772 18 residues pruned to eliminate duplicates Z: 15 11.561 1.682 0.629 0.818 0.929 0.500 CB 0.922 12 residues pruned to eliminate duplicates Z: 10 15.486 1.902 0.830 0.773 0.889 0.889 CB 1.311 10 residues pruned to eliminate duplicates 6 1.246 1.453 -0.104 0.283 0.600 0.600 CB 0.911 ? Z: 8 2.412 1.250 0.483 0.211 0.714 0.571 N 0.968 Z: 10 11.461 1.792 0.501 0.810 1.000 0.778 CB 1.084 10 residues pruned to eliminate duplicates Z: 11 3.613 1.503 0.200 0.643 1.000 0.300 CB 0.554 Z: 11 10.650 1.824 1.012 0.718 0.900 0.500 CB 0.837 11 residues pruned to eliminate duplicates Z: 6 3.597 1.676 0.371 0.477 0.600 0.600 CB 1.193 Z: 17 12.830 1.671 0.742 0.901 0.938 0.562 CB 0.839 17 residues pruned to eliminate duplicates Z: 20 23.776 1.856 0.832 0.890 0.947 0.421 CB 1.218 20 residues pruned to eliminate duplicates Z: 7 5.692 1.603 0.498 0.614 0.833 0.833 CB 1.042 Z: 6 3.356 1.504 0.795 0.268 0.800 0.600 CB 0.905 Z: 8 8.614 1.701 0.316 0.756 1.000 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 12 7.218 1.687 0.726 0.710 0.909 0.545 CB 0.680 12 residues pruned to eliminate duplicates Z: 25 20.825 1.866 0.310 0.938 1.000 1.000 CB 1.209 24 residues pruned to eliminate duplicates Z: 16 12.227 1.673 0.589 0.895 1.000 0.867 CB 0.852 16 residues pruned to eliminate duplicates Z: 18 16.836 1.838 0.422 0.855 0.941 0.706 CB 1.225 18 residues pruned to eliminate duplicates Z: 16 11.967 1.714 0.326 0.848 1.000 0.667 CB 1.008 16 residues pruned to eliminate duplicates Z: 13 14.084 1.719 0.445 0.874 1.000 0.917 CB 1.191 13 residues pruned to eliminate duplicates Z: 6 5.437 2.057 0.732 0.746 1.000 0.800 CB 0.548 Z: 26 18.451 1.871 0.798 0.652 0.880 0.600 CB 1.082 26 residues pruned to eliminate duplicates Z: 8 6.561 1.638 0.159 0.840 1.000 0.714 CB 0.975 Z: 7 5.327 1.589 0.676 0.609 1.000 0.833 CB 0.736 Z: 9 3.961 1.409 0.454 0.312 0.750 0.625 CB 1.122 9 residues pruned to eliminate duplicates Z: 19 18.017 1.799 0.570 0.919 0.944 0.833 CB 1.122 19 residues pruned to eliminate duplicates Z: 24 15.891 1.836 0.330 0.651 0.913 0.696 CB 1.291 24 residues pruned to eliminate duplicates Z: 17 19.029 1.687 0.795 0.861 0.938 0.562 N 1.231 16 residues pruned to eliminate duplicates Z: 16 22.936 2.036 0.773 0.785 0.933 0.867 CB 1.368 16 residues pruned to eliminate duplicates Z: 6 4.827 1.623 0.395 0.569 1.000 0.600 CB 0.892 Z: 11 11.334 1.653 0.384 0.811 1.000 0.800 CB 1.195 9 residues pruned to eliminate duplicates Z: 9 2.503 1.392 0.101 0.261 0.750 0.375 N 1.012 Z: 18 11.613 1.755 0.463 0.890 0.941 0.824 CB 0.838 18 residues pruned to eliminate duplicates Z: 22 16.778 1.666 1.031 0.786 0.810 0.429 CB 1.040 19 residues pruned to eliminate duplicates Z: 16 16.850 1.808 0.376 0.882 1.000 0.933 CB 1.266 16 residues pruned to eliminate duplicates Z: 12 14.149 1.831 0.701 0.780 0.909 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 17 11.089 1.749 0.174 0.849 0.938 0.812 CB 1.067 17 residues pruned to eliminate duplicates Z: 7 2.304 1.390 0.557 0.298 0.667 0.500 CB 0.817 Z: 6 7.608 1.724 0.484 0.818 1.000 1.000 CB 1.009 6 residues pruned to eliminate duplicates Z: 16 15.929 1.756 0.610 0.901 1.000 0.933 CB 1.039 16 residues pruned to eliminate duplicates Z: 6 2.365 1.447 0.141 0.446 0.600 0.400 N 1.128 6 residues pruned to eliminate duplicates Z: 13 12.731 1.872 0.571 0.659 1.000 0.667 CB 1.078 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 18.919 1.957 0.823 0.880 0.917 0.750 CB 1.210 13 residues pruned to eliminate duplicates Z: 18 13.550 1.974 0.777 0.583 0.882 0.647 CB 0.980 18 residues pruned to eliminate duplicates Z: 17 14.495 1.884 1.009 0.558 0.812 0.625 CB 1.114 17 residues pruned to eliminate duplicates Z: 33 27.882 1.943 0.763 0.851 0.906 0.719 CB 1.175 35 residues pruned to eliminate duplicates Z: 15 17.934 1.899 1.109 0.812 0.786 0.500 CB 1.160 15 residues pruned to eliminate duplicates Z: 16 13.261 1.952 0.844 0.515 0.867 0.733 CB 1.081 16 residues pruned to eliminate duplicates Z: 14 15.398 1.938 0.819 0.823 0.923 0.615 CB 0.992 14 residues pruned to eliminate duplicates Z: 17 13.684 1.988 0.736 0.610 0.875 0.688 CB 1.021 17 residues pruned to eliminate duplicates Z: 19 19.358 1.892 0.526 0.781 0.944 0.722 CB 1.306 19 residues pruned to eliminate duplicates Z: 18 22.127 1.949 0.647 0.836 0.941 0.765 CB 1.330 18 residues pruned to eliminate duplicates Z: 19 19.834 1.916 0.563 0.787 0.944 0.778 CB 1.284 19 residues pruned to eliminate duplicates Z: 20 18.412 1.902 0.740 0.757 0.789 0.684 CB 1.287 20 residues pruned to eliminate duplicates Z: 23 18.122 1.938 0.660 0.665 0.909 0.773 CB 1.134 23 residues pruned to eliminate duplicates Z: 17 23.004 1.937 0.886 0.851 1.000 0.688 CB 1.165 17 residues pruned to eliminate duplicates Z: 19 18.886 1.906 0.807 0.775 0.833 0.500 CB 1.217 19 residues pruned to eliminate duplicates Z: 20 7.284 1.782 0.473 0.459 0.842 0.526 CB 0.788 20 residues pruned to eliminate duplicates Z: 18 13.290 1.752 0.716 0.538 0.882 0.176 CB 1.170 18 residues pruned to eliminate duplicates Z: 6 6.843 1.610 0.651 0.783 1.000 0.600 CB 0.897 6 residues pruned to eliminate duplicates Z: 7 4.831 1.624 0.604 0.531 0.667 0.333 O 1.102 7 residues pruned to eliminate duplicates Z: 26 15.611 1.865 0.411 0.605 0.880 0.560 CB 1.220 26 residues pruned to eliminate duplicates Z: 10 8.669 1.706 0.572 0.728 1.000 0.444 CB 0.877 10 residues pruned to eliminate duplicates Z: 25 25.227 1.980 0.596 0.789 0.958 0.708 CB 1.319 25 residues pruned to eliminate duplicates Z: 26 26.184 1.993 0.627 0.790 0.920 0.640 CB 1.361 26 residues pruned to eliminate duplicates Z: 17 15.458 1.924 0.685 0.789 0.875 0.812 CB 1.057 17 residues pruned to eliminate duplicates Z: 25 26.849 2.024 0.616 0.817 0.958 0.750 CB 1.328 25 residues pruned to eliminate duplicates Z: 21 12.278 1.851 0.604 0.650 0.800 0.550 CB 1.005 21 residues pruned to eliminate duplicates Z: 20 28.204 2.117 0.724 0.791 0.947 0.632 CB 1.450 20 residues pruned to eliminate duplicates Z: 26 26.610 1.989 0.662 0.817 0.920 0.680 CB 1.328 26 residues pruned to eliminate duplicates Z: 20 23.143 2.084 0.683 0.690 0.895 0.632 CB 1.421 20 residues pruned to eliminate duplicates Z: 25 26.416 1.983 0.657 0.855 0.917 0.667 CB 1.320 25 residues pruned to eliminate duplicates Z: 25 23.621 1.969 0.715 0.855 0.917 0.750 CB 1.149 25 residues pruned to eliminate duplicates Z: 27 24.757 1.982 0.747 0.745 0.923 0.577 CB 1.219 27 residues pruned to eliminate duplicates Z: 25 25.584 1.944 0.688 0.912 0.917 0.792 CB 1.230 25 residues pruned to eliminate duplicates Z: 25 25.537 1.952 0.628 0.856 1.000 0.750 CB 1.209 25 residues pruned to eliminate duplicates Z: 18 26.093 2.106 0.904 0.782 0.941 0.765 CB 1.308 18 residues pruned to eliminate duplicates Z: 23 30.103 2.024 0.761 0.897 1.000 0.727 CB 1.289 23 residues pruned to eliminate duplicates Z: 19 26.765 2.069 0.876 0.791 0.944 0.667 CB 1.333 19 residues pruned to eliminate duplicates Z: 20 21.552 1.980 0.829 0.741 0.895 0.737 CB 1.229 20 residues pruned to eliminate duplicates Z: 23 27.454 2.026 0.660 0.922 0.955 0.773 CB 1.282 23 residues pruned to eliminate duplicates Z: 24 23.007 1.950 0.850 0.685 0.913 0.696 CB 1.229 24 residues pruned to eliminate duplicates Z: 18 20.059 2.036 0.580 0.851 0.941 0.824 CB 1.189 18 residues pruned to eliminate duplicates Z: 19 19.600 2.076 0.471 0.815 1.000 0.889 CB 1.151 19 residues pruned to eliminate duplicates Z: 16 23.845 2.040 0.740 0.850 0.933 0.867 CB 1.376 16 residues pruned to eliminate duplicates Z: 20 19.131 1.980 0.773 0.756 0.947 0.632 CB 1.050 20 residues pruned to eliminate duplicates Z: 19 22.678 2.080 0.751 0.789 0.944 0.722 CB 1.206 19 residues pruned to eliminate duplicates Z: 21 22.264 1.959 0.777 0.766 0.900 0.750 CB 1.255 21 residues pruned to eliminate duplicates Z: 24 17.600 1.861 0.754 0.620 0.870 0.609 CB 1.155 24 residues pruned to eliminate duplicates Z: 27 21.132 1.968 0.578 0.702 0.923 0.654 CB 1.202 28 residues pruned to eliminate duplicates Z: 21 23.897 1.921 0.801 0.851 0.950 0.850 CB 1.203 21 residues pruned to eliminate duplicates Z: 20 22.461 2.051 0.762 0.766 0.895 0.789 CB 1.258 20 residues pruned to eliminate duplicates Z: 20 20.043 2.038 0.680 0.767 0.947 0.842 CB 1.119 20 residues pruned to eliminate duplicates Z: 33 22.463 1.876 0.734 0.655 0.906 0.656 CB 1.167 33 residues pruned to eliminate duplicates Z: 18 25.067 2.065 0.766 0.911 0.941 0.824 CB 1.255 19 residues pruned to eliminate duplicates Z: 17 27.452 2.082 0.747 0.944 1.000 0.938 CB 1.307 17 residues pruned to eliminate duplicates Z: 18 23.318 2.012 0.714 0.870 0.941 0.882 CB 1.272 18 residues pruned to eliminate duplicates Z: 18 24.400 2.022 0.810 0.856 0.941 0.647 CB 1.266 18 residues pruned to eliminate duplicates Z: 21 24.261 1.934 0.570 0.778 1.000 0.750 CB 1.397 21 residues pruned to eliminate duplicates Z: 23 18.766 1.950 0.517 0.650 0.864 0.682 CB 1.362 23 residues pruned to eliminate duplicates Z: 19 27.600 2.018 0.648 0.910 1.000 0.944 CB 1.388 19 residues pruned to eliminate duplicates Z: 19 26.858 2.055 0.533 0.818 1.000 0.833 CB 1.526 19 residues pruned to eliminate duplicates Z: 19 26.463 2.062 0.530 0.822 1.000 0.944 CB 1.496 19 residues pruned to eliminate duplicates Z: 19 29.403 2.057 0.699 0.811 1.000 0.833 CB 1.513 19 residues pruned to eliminate duplicates Z: 29 20.735 1.960 0.620 0.567 0.857 0.643 CB 1.349 29 residues pruned to eliminate duplicates Z: 20 25.033 2.034 0.738 0.778 0.947 0.842 CB 1.341 20 residues pruned to eliminate duplicates Z: 20 26.927 1.951 0.756 0.892 1.000 0.947 CB 1.295 20 residues pruned to eliminate duplicates Z: 26 18.599 1.889 0.455 0.649 0.840 0.720 CB 1.402 26 residues pruned to eliminate duplicates Z: 20 24.351 2.005 0.668 0.858 0.947 0.895 CB 1.299 20 residues pruned to eliminate duplicates Z: 19 28.207 2.064 0.696 0.812 1.000 0.778 CB 1.448 19 residues pruned to eliminate duplicates Z: 19 28.285 2.054 0.751 0.770 1.000 0.778 CB 1.459 19 residues pruned to eliminate duplicates Z: 23 21.202 1.985 0.669 0.682 0.864 0.727 CB 1.336 23 residues pruned to eliminate duplicates Z: 21 25.482 2.022 0.742 0.785 0.950 0.800 CB 1.325 21 residues pruned to eliminate duplicates Z: 45 31.153 1.980 0.542 0.720 0.977 0.750 CB 1.290 41 residues pruned to eliminate duplicates Z: 20 25.539 2.015 0.635 0.821 1.000 0.842 CB 1.346 20 residues pruned to eliminate duplicates Z: 37 32.431 2.054 0.458 0.740 0.972 0.778 CB 1.497 37 residues pruned to eliminate duplicates Z: 19 21.841 1.955 0.347 0.770 1.000 0.944 CB 1.539 19 residues pruned to eliminate duplicates Z: 40 29.354 1.998 0.543 0.711 0.949 0.769 CB 1.328 40 residues pruned to eliminate duplicates Z: 18 21.905 1.940 0.323 0.832 0.941 0.765 CB 1.651 18 residues pruned to eliminate duplicates Z: 44 30.908 1.944 0.613 0.726 0.953 0.651 CB 1.286 40 residues pruned to eliminate duplicates Z: 18 24.309 1.904 0.527 0.904 1.000 0.882 CB 1.444 18 residues pruned to eliminate duplicates Z: 41 30.782 1.980 0.651 0.730 0.900 0.625 CB 1.345 41 residues pruned to eliminate duplicates Z: 20 22.756 2.065 0.610 0.770 0.895 0.842 CB 1.382 20 residues pruned to eliminate duplicates Z: 38 36.861 2.050 0.795 0.743 0.946 0.703 CB 1.401 38 residues pruned to eliminate duplicates Z: 39 35.463 2.043 0.738 0.746 0.895 0.711 CB 1.454 39 residues pruned to eliminate duplicates Z: 39 31.914 2.011 0.654 0.741 0.921 0.605 CB 1.362 39 residues pruned to eliminate duplicates Z: 41 32.183 1.983 0.636 0.710 0.925 0.700 CB 1.401 41 residues pruned to eliminate duplicates Z: 42 36.225 1.999 0.679 0.727 0.976 0.780 CB 1.409 39 residues pruned to eliminate duplicates Z: 16 30.828 2.029 0.772 0.912 1.000 0.867 CB 1.569 19 residues pruned to eliminate duplicates Z: 16 30.607 2.067 0.643 0.916 1.000 1.000 CB 1.644 16 residues pruned to eliminate duplicates Z: 38 29.615 2.035 0.594 0.733 0.919 0.703 CB 1.324 38 residues pruned to eliminate duplicates Z: 41 32.811 1.975 0.683 0.742 0.950 0.650 CB 1.323 41 residues pruned to eliminate duplicates Z: 17 7.003 1.883 0.268 0.479 0.750 0.500 CB 0.998 17 residues pruned to eliminate duplicates Z: 65 28.675 1.924 0.648 0.656 0.891 0.547 CB 1.099 89 residues pruned to eliminate duplicates Z: 20 16.632 1.933 0.389 0.796 0.947 0.684 CB 1.157 20 residues pruned to eliminate duplicates Z: 14 11.848 1.935 0.306 0.625 0.923 0.538 CB 1.253 14 residues pruned to eliminate duplicates Z: 69 33.068 1.985 0.610 0.685 0.897 0.603 CB 1.180 69 residues pruned to eliminate duplicates Z: 45 32.452 2.044 0.720 0.746 0.909 0.568 CB 1.229 45 residues pruned to eliminate duplicates Z: 22 13.881 1.933 0.229 0.725 0.952 0.667 CB 1.093 22 residues pruned to eliminate duplicates Z: 24 22.166 1.984 0.495 0.774 0.957 0.696 CB 1.278 24 residues pruned to eliminate duplicates Z: 40 20.909 1.922 0.443 0.572 0.846 0.667 CB 1.331 40 residues pruned to eliminate duplicates Z: 24 19.446 1.963 0.519 0.709 0.957 0.696 CB 1.176 24 residues pruned to eliminate duplicates Z: 25 16.223 1.931 0.632 0.647 0.833 0.625 CB 1.100 25 residues pruned to eliminate duplicates Z: 41 28.932 1.931 0.802 0.652 0.875 0.475 CB 1.304 47 residues pruned to eliminate duplicates Z: 25 19.399 1.927 0.560 0.739 0.958 0.708 CB 1.109 25 residues pruned to eliminate duplicates Z: 13 25.335 2.072 1.013 0.849 0.917 0.917 CB 1.418 Z: 18 29.044 2.028 0.931 0.945 0.941 0.706 CB 1.323 31 residues pruned to eliminate duplicates Z: 23 21.427 1.983 0.642 0.712 0.955 0.682 CB 1.213 23 residues pruned to eliminate duplicates Z: 26 23.494 1.875 0.718 0.782 0.960 0.480 CB 1.185 26 residues pruned to eliminate duplicates Z: 23 22.622 1.841 0.904 0.780 0.864 0.591 CB 1.245 23 residues pruned to eliminate duplicates Z: 11 15.187 1.906 1.087 0.679 0.900 0.300 CB 1.138 Z: 19 20.737 1.938 1.095 0.920 0.889 0.722 CB 0.954 11 residues pruned to eliminate duplicates Z: 21 25.741 1.950 0.843 0.879 0.900 0.700 CB 1.291 40 residues pruned to eliminate duplicates Z: 30 21.931 1.865 0.904 0.578 0.828 0.483 CB 1.286 30 residues pruned to eliminate duplicates Z: 25 28.474 1.970 0.857 0.789 0.958 0.583 CB 1.287 25 residues pruned to eliminate duplicates Z: 23 19.768 1.998 0.714 0.777 0.864 0.682 CB 1.116 23 residues pruned to eliminate duplicates Z: 13 8.288 1.786 0.941 0.502 0.833 0.250 CB 0.826 13 residues pruned to eliminate duplicates Z: 22 22.473 1.984 0.652 0.815 0.952 0.667 CB 1.194 22 residues pruned to eliminate duplicates Z: 16 18.878 1.915 0.822 0.849 1.000 0.667 CB 1.036 16 residues pruned to eliminate duplicates Z: 14 8.180 1.707 0.784 0.659 0.846 0.462 CB 0.759 14 residues pruned to eliminate duplicates Z: 21 23.175 2.019 0.742 0.869 0.950 0.750 CB 1.133 22 residues pruned to eliminate duplicates Z: 16 20.386 1.834 0.931 0.826 0.933 0.667 CB 1.201 14 residues pruned to eliminate duplicates Z: 21 26.918 2.027 0.729 0.934 1.000 0.850 CB 1.199 21 residues pruned to eliminate duplicates Z: 22 27.383 1.970 0.739 0.860 1.000 0.714 CB 1.283 22 residues pruned to eliminate duplicates Z: 31 18.902 1.886 0.502 0.705 0.900 0.533 CB 1.123 31 residues pruned to eliminate duplicates Z: 18 18.409 2.070 0.574 0.868 0.941 0.706 CB 1.065 18 residues pruned to eliminate duplicates Z: 18 20.489 2.060 0.759 0.879 0.941 0.529 CB 1.057 18 residues pruned to eliminate duplicates Z: 25 21.242 1.919 0.787 0.747 0.917 0.583 CB 1.106 25 residues pruned to eliminate duplicates Z: 21 18.101 2.020 0.682 0.812 0.850 0.600 CB 1.068 21 residues pruned to eliminate duplicates Z: 21 25.348 2.014 0.852 0.883 0.950 0.450 CB 1.157 21 residues pruned to eliminate duplicates Z: 15 8.547 1.669 0.586 0.430 0.857 0.429 CB 1.082 15 residues pruned to eliminate duplicates Z: 18 20.960 1.935 0.942 0.801 0.882 0.353 CB 1.179 18 residues pruned to eliminate duplicates Z: 14 13.077 2.038 0.826 0.630 0.846 0.308 CB 1.020 14 residues pruned to eliminate duplicates Z: 30 18.888 1.889 0.723 0.721 0.897 0.552 CB 0.984 35 residues pruned to eliminate duplicates Z: 20 29.289 2.041 1.128 0.943 1.000 0.842 CB 1.072 20 residues pruned to eliminate duplicates Z: 18 19.442 2.079 0.923 0.858 0.941 0.588 CB 0.923 18 residues pruned to eliminate duplicates Z: 35 28.344 1.961 0.821 0.757 0.912 0.559 CB 1.188 35 residues pruned to eliminate duplicates Z: 15 8.614 1.789 0.585 0.533 0.786 0.429 N 1.000 15 residues pruned to eliminate duplicates Z: 17 13.908 1.732 0.689 0.574 0.875 0.438 N 1.265 17 residues pruned to eliminate duplicates Z: 12 7.144 1.713 0.488 0.486 0.818 0.455 N 1.047 12 residues pruned to eliminate duplicates Z: 35 25.671 1.972 0.783 0.792 0.882 0.529 CB 1.098 35 residues pruned to eliminate duplicates Z: 20 16.327 1.753 0.756 0.680 0.842 0.526 CB 1.225 20 residues pruned to eliminate duplicates Z: 26 18.122 1.869 0.988 0.779 0.840 0.280 CB 0.908 26 residues pruned to eliminate duplicates Z: 34 23.448 1.906 0.746 0.802 0.909 0.576 CB 1.036 34 residues pruned to eliminate duplicates Z: 19 15.603 1.890 0.788 0.646 0.722 0.389 CB 1.315 19 residues pruned to eliminate duplicates Z: 15 16.974 1.817 0.631 0.831 1.000 0.571 CB 1.150 15 residues pruned to eliminate duplicates Z: 17 20.256 1.804 0.801 0.851 0.938 0.500 N 1.230 17 residues pruned to eliminate duplicates Z: 21 18.873 1.810 0.710 0.723 0.850 0.450 CB 1.311 21 residues pruned to eliminate duplicates Z: 22 20.821 1.793 0.661 0.775 0.952 0.571 CB 1.257 22 residues pruned to eliminate duplicates Z: 20 22.282 1.857 0.734 0.768 0.895 0.632 CB 1.400 20 residues pruned to eliminate duplicates Z: 21 18.711 1.830 0.791 0.725 0.850 0.450 CB 1.226 21 residues pruned to eliminate duplicates Z: 18 17.383 1.793 0.592 0.871 0.941 0.588 CB 1.145 18 residues pruned to eliminate duplicates Z: 41 28.591 1.814 0.754 0.769 0.900 0.650 CB 1.244 41 residues pruned to eliminate duplicates Z: 22 19.380 1.773 0.685 0.797 0.905 0.429 CB 1.206 22 residues pruned to eliminate duplicates Z: 9 8.213 1.584 0.556 0.608 0.875 0.625 CB 1.215 9 residues pruned to eliminate duplicates Z: 20 13.532 1.868 0.505 0.686 0.895 0.474 CB 1.041 20 residues pruned to eliminate duplicates Z: 7 10.400 1.592 0.614 0.586 1.000 0.500 CB 1.522 7 residues pruned to eliminate duplicates Z: 21 21.481 1.889 0.475 0.920 1.000 0.750 CB 1.213 21 residues pruned to eliminate duplicates Z: 19 13.928 1.879 0.758 0.721 0.833 0.778 CB 0.977 19 residues pruned to eliminate duplicates Z: 24 13.737 1.836 0.438 0.607 0.870 0.609 CB 1.127 24 residues pruned to eliminate duplicates Z: 17 17.488 1.765 0.488 0.890 1.000 0.812 CB 1.197 17 residues pruned to eliminate duplicates Z: 16 16.806 1.806 0.641 0.860 0.933 0.800 CB 1.154 16 residues pruned to eliminate duplicates Z: 20 14.029 1.817 0.596 0.710 0.789 0.526 CB 1.162 20 residues pruned to eliminate duplicates Z: 13 17.877 1.846 0.859 0.746 0.917 0.583 CB 1.317 13 residues pruned to eliminate duplicates Z: 17 19.301 1.940 0.758 0.812 0.938 0.688 CB 1.150 16 residues pruned to eliminate duplicates Z: 17 22.210 1.882 0.845 0.913 0.938 0.812 CB 1.207 17 residues pruned to eliminate duplicates Z: 24 22.184 1.929 0.722 0.795 0.913 0.696 CB 1.178 24 residues pruned to eliminate duplicates Z: 18 15.859 1.873 0.785 0.670 0.882 0.353 CB 1.115 16 residues pruned to eliminate duplicates Z: 22 19.024 1.837 0.790 0.866 0.810 0.667 CB 1.141 22 residues pruned to eliminate duplicates Z: 21 24.113 1.942 0.667 0.847 1.000 0.800 CB 1.237 23 residues pruned to eliminate duplicates Z: 21 20.994 1.842 0.943 0.855 0.950 0.500 CB 1.020 21 residues pruned to eliminate duplicates Z: 21 23.725 1.929 0.788 0.845 1.000 0.650 CB 1.144 21 residues pruned to eliminate duplicates Z: 12 19.289 1.855 0.934 0.839 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 20 25.746 1.955 0.829 0.908 0.947 0.789 CB 1.238 21 residues pruned to eliminate duplicates Z: 26 21.705 1.881 0.754 0.798 0.920 0.680 CB 1.102 26 residues pruned to eliminate duplicates Z: 36 25.768 1.836 0.730 0.829 0.943 0.800 CB 1.094 37 residues pruned to eliminate duplicates Z: 20 16.207 1.716 0.532 0.805 1.000 0.632 CB 1.084 20 residues pruned to eliminate duplicates Z: 27 22.471 1.916 0.696 0.808 0.923 0.731 CB 1.123 27 residues pruned to eliminate duplicates Z: 26 13.813 1.896 0.938 0.726 0.800 0.360 CB 0.767 26 residues pruned to eliminate duplicates Z: 36 24.863 1.854 0.762 0.811 0.886 0.714 CB 1.108 36 residues pruned to eliminate duplicates Z: 38 25.562 1.815 0.692 0.813 0.973 0.514 CB 1.071 38 residues pruned to eliminate duplicates Z: 38 25.348 1.824 0.864 0.808 0.946 0.649 CB 0.990 38 residues pruned to eliminate duplicates Z: 20 15.498 1.716 0.592 0.784 0.947 0.737 CB 1.070 20 residues pruned to eliminate duplicates Z: 40 27.335 1.858 0.668 0.817 0.949 0.718 CB 1.130 40 residues pruned to eliminate duplicates Z: 13 15.529 1.794 0.493 0.830 1.000 0.833 CB 1.258 13 residues pruned to eliminate duplicates Z: 31 19.902 1.821 0.589 0.726 0.933 0.500 CB 1.098 31 residues pruned to eliminate duplicates Z: 14 11.907 1.678 0.429 0.761 1.000 0.769 CB 1.092 14 residues pruned to eliminate duplicates Z: 40 27.321 1.865 0.681 0.814 0.923 0.718 CB 1.150 40 residues pruned to eliminate duplicates Z: 40 27.305 1.864 0.611 0.787 0.949 0.692 CB 1.193 40 residues pruned to eliminate duplicates Z: 40 25.339 1.854 0.727 0.780 0.923 0.667 CB 1.073 40 residues pruned to eliminate duplicates Z: 40 28.429 1.848 0.765 0.817 0.974 0.692 CB 1.088 39 residues pruned to eliminate duplicates Z: 18 19.290 1.800 0.675 0.845 1.000 0.706 CB 1.154 18 residues pruned to eliminate duplicates Z: 16 21.669 1.938 0.366 0.909 1.000 0.933 CB 1.501 16 residues pruned to eliminate duplicates Z: 15 20.406 1.909 0.337 0.902 1.000 0.857 CB 1.524 15 residues pruned to eliminate duplicates Z: 15 14.071 1.876 0.366 0.620 0.929 0.643 CB 1.411 14 residues pruned to eliminate duplicates Z: 16 19.509 1.952 0.322 0.892 0.933 0.800 CB 1.504 16 residues pruned to eliminate duplicates Z: 7 9.159 2.003 0.113 0.724 1.000 1.000 CB 1.371 7 residues pruned to eliminate duplicates Z: 18 16.751 1.872 0.283 0.804 0.941 0.765 CB 1.378 18 residues pruned to eliminate duplicates Z: 37 30.485 1.913 0.759 0.810 0.972 0.583 CB 1.186 36 residues pruned to eliminate duplicates Z: 18 16.948 1.887 0.472 0.887 0.882 0.588 CB 1.209 18 residues pruned to eliminate duplicates Z: 16 18.982 1.959 0.383 0.822 1.000 0.733 CB 1.368 16 residues pruned to eliminate duplicates Z: 15 16.436 1.953 0.417 0.837 0.857 0.643 CB 1.385 15 residues pruned to eliminate duplicates Z: 18 12.304 1.783 0.448 0.694 0.941 0.588 CB 1.028 18 residues pruned to eliminate duplicates Z: 40 26.995 1.869 0.549 0.759 0.923 0.718 CB 1.285 41 residues pruned to eliminate duplicates Z: 17 25.436 1.923 0.723 0.914 1.000 0.688 CB 1.357 16 residues pruned to eliminate duplicates Z: 18 17.824 1.910 0.452 0.748 0.882 0.647 CB 1.416 18 residues pruned to eliminate duplicates Z: 21 14.518 1.853 0.485 0.686 0.850 0.600 CB 1.170 21 residues pruned to eliminate duplicates Z: 21 17.551 1.905 0.392 0.707 1.000 0.700 CB 1.226 21 residues pruned to eliminate duplicates Z: 26 16.237 1.804 0.355 0.619 0.920 0.560 CB 1.291 16 residues pruned to eliminate duplicates Z: 13 15.709 1.948 0.527 0.872 0.917 0.917 CB 1.212 13 residues pruned to eliminate duplicates Z: 12 8.063 1.862 0.054 0.590 0.818 0.636 CB 1.390 12 residues pruned to eliminate duplicates Z: 8 14.187 2.073 0.364 0.712 1.000 0.714 CB 1.565 8 residues pruned to eliminate duplicates Z: 16 8.522 1.729 0.506 0.485 0.867 0.533 CB 0.990 16 residues pruned to eliminate duplicates Z: 8 8.842 1.954 0.389 0.624 1.000 0.714 CB 1.095 8 residues pruned to eliminate duplicates Z: 10 13.868 1.910 0.740 0.702 0.889 0.889 CB 1.301 10 residues pruned to eliminate duplicates Z: 11 16.896 1.950 0.637 0.745 1.000 0.700 CB 1.345 11 residues pruned to eliminate duplicates Z: 11 14.076 1.952 0.525 0.765 0.900 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 15.485 1.875 0.714 0.842 1.000 0.667 CB 1.037 12 residues pruned to eliminate duplicates Z: 14 23.002 1.950 0.783 0.855 1.000 0.846 CB 1.354 15 residues pruned to eliminate duplicates Z: 16 16.766 1.875 0.716 0.829 0.933 0.667 CB 1.085 16 residues pruned to eliminate duplicates Z: 12 12.013 1.600 0.919 0.785 0.909 0.636 CB 1.011 11 residues pruned to eliminate duplicates Z: 14 22.055 1.885 0.904 0.860 1.000 0.692 CB 1.254 14 residues pruned to eliminate duplicates Z: 11 14.364 1.869 1.027 0.875 0.900 0.800 CB 0.969 11 residues pruned to eliminate duplicates Z: 57 35.102 1.915 0.707 0.753 0.929 0.643 CB 1.233 61 residues pruned to eliminate duplicates Z: 18 12.990 1.786 0.475 0.892 1.000 0.824 CB 0.859 16 residues pruned to eliminate duplicates Z: 15 11.182 1.855 0.519 0.924 1.000 0.786 CB 0.745 15 residues pruned to eliminate duplicates Z: 16 12.401 1.801 0.565 0.905 1.000 0.733 CB 0.808 16 residues pruned to eliminate duplicates Z: 12 13.995 1.697 0.795 0.745 1.000 0.545 CB 1.112 12 residues pruned to eliminate duplicates Z: 15 14.639 1.883 0.667 0.925 1.000 0.786 CB 0.875 15 residues pruned to eliminate duplicates Z: 14 13.630 1.818 0.569 0.827 1.000 0.846 CB 0.999 15 residues pruned to eliminate duplicates Z: 18 13.566 1.805 0.762 0.925 1.000 0.941 CB 0.726 16 residues pruned to eliminate duplicates Z: 18 17.684 1.734 0.792 0.870 1.000 0.588 CB 1.008 18 residues pruned to eliminate duplicates Z: 15 8.976 1.734 0.747 0.789 0.929 0.429 CB 0.662 15 residues pruned to eliminate duplicates Z: 15 8.776 1.844 0.548 0.591 0.857 0.500 CB 0.878 15 residues pruned to eliminate duplicates Z: 17 13.007 1.811 0.867 0.930 1.000 0.750 CB 0.673 17 residues pruned to eliminate duplicates Z: 19 15.591 1.848 0.891 0.880 0.944 0.778 CB 0.807 20 residues pruned to eliminate duplicates Z: 16 15.429 1.825 0.924 0.886 0.933 0.400 CB 0.877 16 residues pruned to eliminate duplicates Z: 35 14.687 1.760 0.677 0.578 0.882 0.735 CB 0.897 37 residues pruned to eliminate duplicates Z: 18 14.315 1.792 0.783 0.839 1.000 0.588 CB 0.812 18 residues pruned to eliminate duplicates Z: 25 15.343 1.834 0.630 0.800 0.875 0.625 CB 0.921 24 residues pruned to eliminate duplicates Z: 13 10.730 1.633 0.573 0.682 1.000 0.583 CB 1.020 13 residues pruned to eliminate duplicates Z: 23 9.731 1.785 0.599 0.552 0.773 0.591 CB 0.894 23 residues pruned to eliminate duplicates Z: 25 9.492 1.757 0.505 0.658 0.750 0.667 CB 0.844 25 residues pruned to eliminate duplicates Z: 23 9.703 1.777 0.514 0.621 0.818 0.636 CB 0.838 23 residues pruned to eliminate duplicates Z: 6 8.380 1.777 0.457 0.639 1.000 0.800 N 1.271 6 residues pruned to eliminate duplicates Z: 39 17.964 1.777 0.598 0.718 0.895 0.632 CB 0.942 39 residues pruned to eliminate duplicates Z: 34 20.522 1.834 0.608 0.799 0.909 0.697 CB 1.026 34 residues pruned to eliminate duplicates Z: 32 18.604 1.801 0.800 0.742 0.903 0.516 CB 0.919 32 residues pruned to eliminate duplicates Z: 37 21.958 1.783 0.721 0.848 0.972 0.583 CB 0.910 38 residues pruned to eliminate duplicates Z: 16 15.692 1.793 0.515 0.849 1.000 0.733 CB 1.105 16 residues pruned to eliminate duplicates Z: 19 13.622 1.722 0.593 0.833 0.944 0.611 CB 0.930 19 residues pruned to eliminate duplicates Z: 25 16.390 1.861 0.700 0.786 0.958 0.500 CB 0.858 25 residues pruned to eliminate duplicates Z: 29 15.830 1.831 0.660 0.782 0.893 0.643 CB 0.860 29 residues pruned to eliminate duplicates Z: 20 14.830 1.736 0.677 0.744 0.895 0.316 CB 1.050 18 residues pruned to eliminate duplicates Z: 7 7.330 1.598 0.713 0.864 0.833 0.833 CB 0.961 7 residues pruned to eliminate duplicates Z: 34 11.432 1.679 0.579 0.516 0.848 0.455 CB 0.871 34 residues pruned to eliminate duplicates Z: 39 20.631 1.814 0.631 0.819 0.974 0.737 CB 0.881 39 residues pruned to eliminate duplicates Z: 18 11.302 1.744 0.500 0.642 0.882 0.471 CB 1.040 18 residues pruned to eliminate duplicates Z: 15 15.797 1.894 0.609 0.662 0.929 0.643 CB 1.284 15 residues pruned to eliminate duplicates Z: 17 23.163 1.990 0.630 0.839 0.938 0.688 CB 1.422 17 residues pruned to eliminate duplicates Z: 14 15.345 1.945 0.476 0.867 0.923 0.692 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 10.962 1.965 0.326 0.537 0.909 0.545 CB 1.345 12 residues pruned to eliminate duplicates Z: 18 25.187 1.966 0.744 0.908 0.941 0.765 CB 1.344 18 residues pruned to eliminate duplicates Z: 18 20.534 1.967 0.599 0.816 0.941 0.824 CB 1.278 18 residues pruned to eliminate duplicates Z: 17 21.482 1.945 0.642 0.828 0.938 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 18 21.761 1.975 0.644 0.826 0.941 0.706 CB 1.303 18 residues pruned to eliminate duplicates Z: 17 20.338 1.969 0.692 0.745 0.938 0.688 CB 1.307 17 residues pruned to eliminate duplicates Z: 18 25.825 1.979 0.805 0.813 0.941 0.588 CB 1.419 18 residues pruned to eliminate duplicates Z: 17 22.219 1.974 0.662 0.838 0.938 0.750 CB 1.350 17 residues pruned to eliminate duplicates Z: 18 22.943 1.980 0.603 0.776 1.000 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 18 22.311 2.018 0.563 0.888 0.941 0.882 CB 1.313 18 residues pruned to eliminate duplicates Z: 8 4.252 1.743 0.409 0.642 0.429 0.429 CB 1.337 8 residues pruned to eliminate duplicates Z: 13 12.373 1.754 0.984 0.626 0.833 0.500 CB 1.094 13 residues pruned to eliminate duplicates Z: 13 9.813 1.742 0.800 0.692 0.750 0.583 CB 1.010 13 residues pruned to eliminate duplicates Z: 12 9.584 1.669 0.664 0.547 0.727 0.273 CB 1.367 12 residues pruned to eliminate duplicates Z: 15 11.455 1.766 0.410 0.606 0.929 0.571 CB 1.197 15 residues pruned to eliminate duplicates Z: 18 12.314 1.699 0.431 0.719 0.941 0.471 CB 1.071 19 residues pruned to eliminate duplicates Z: 24 16.006 1.778 0.362 0.849 0.913 0.739 CB 1.119 24 residues pruned to eliminate duplicates Z: 31 22.312 1.821 0.554 0.756 0.967 0.733 CB 1.186 55 residues pruned to eliminate duplicates Z: 19 14.664 1.743 0.471 0.798 1.000 0.444 CB 1.038 Z: 25 22.605 1.871 0.643 0.926 0.958 0.792 CB 1.099 19 residues pruned to eliminate duplicates Z: 24 19.475 1.825 0.454 0.886 1.000 0.652 CB 1.104 24 residues pruned to eliminate duplicates Z: 21 20.402 1.894 0.780 0.916 1.000 0.800 CB 0.955 21 residues pruned to eliminate duplicates Z: 34 19.618 1.826 0.643 0.734 0.848 0.576 CB 1.087 41 residues pruned to eliminate duplicates Z: 25 19.433 1.773 0.564 0.866 0.958 0.417 CB 1.092 25 residues pruned to eliminate duplicates Z: 25 19.873 1.862 0.825 0.795 0.917 0.625 CB 1.005 25 residues pruned to eliminate duplicates Z: 22 14.678 1.893 0.667 0.792 0.857 0.381 CB 0.917 22 residues pruned to eliminate duplicates Z: 21 16.764 1.946 0.665 0.795 0.900 0.600 CB 0.992 21 residues pruned to eliminate duplicates Z: 22 14.710 1.872 0.958 0.767 0.857 0.476 CB 0.806 22 residues pruned to eliminate duplicates Z: 16 13.439 1.958 0.891 0.842 0.867 0.533 CB 0.806 16 residues pruned to eliminate duplicates Z: 25 19.910 1.912 0.838 0.787 0.833 0.500 CB 1.077 25 residues pruned to eliminate duplicates Z: 21 18.050 1.896 0.947 0.859 0.900 0.600 CB 0.894 21 residues pruned to eliminate duplicates Z: 16 15.774 1.953 1.061 0.870 0.933 0.400 CB 0.791 16 residues pruned to eliminate duplicates Z: 32 22.426 1.929 0.770 0.839 0.935 0.742 CB 0.942 32 residues pruned to eliminate duplicates Z: 39 22.331 1.862 0.600 0.798 0.921 0.605 CB 1.017 36 residues pruned to eliminate duplicates Z: 22 13.329 1.762 0.585 0.735 0.857 0.714 CB 0.984 22 residues pruned to eliminate duplicates Z: 40 23.598 1.862 0.711 0.818 0.872 0.615 CB 1.032 40 residues pruned to eliminate duplicates Z: 14 12.610 1.744 0.379 0.764 1.000 0.462 CB 1.150 14 residues pruned to eliminate duplicates Z: 35 22.811 1.904 0.753 0.808 0.941 0.382 CB 0.952 35 residues pruned to eliminate duplicates Z: 18 15.492 1.847 0.599 0.725 0.941 0.529 CB 1.104 18 residues pruned to eliminate duplicates Z: 32 22.760 1.892 0.851 0.830 0.903 0.419 CB 0.972 32 residues pruned to eliminate duplicates Z: 34 24.359 1.942 0.825 0.859 0.909 0.606 CB 0.968 34 residues pruned to eliminate duplicates Z: 40 26.564 1.862 0.847 0.793 0.897 0.513 CB 1.066 40 residues pruned to eliminate duplicates Z: 18 18.401 1.772 0.636 0.880 1.000 0.882 CB 1.115 18 residues pruned to eliminate duplicates Z: 15 19.129 1.876 0.742 0.864 0.929 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 39 24.060 1.887 0.681 0.847 0.921 0.605 CB 0.992 39 residues pruned to eliminate duplicates Z: 42 27.329 1.878 0.683 0.819 0.951 0.732 CB 1.076 43 residues pruned to eliminate duplicates Z: 18 18.757 1.806 0.602 0.905 0.941 0.824 CB 1.189 18 residues pruned to eliminate duplicates Z: 43 26.908 1.845 0.731 0.827 0.929 0.643 CB 1.055 41 residues pruned to eliminate duplicates Z: 17 17.484 1.837 0.425 0.862 1.000 0.875 CB 1.226 17 residues pruned to eliminate duplicates Z: 38 25.452 1.915 0.625 0.853 0.946 0.838 CB 1.051 38 residues pruned to eliminate duplicates Z: 20 13.173 1.645 0.663 0.582 0.947 0.474 CB 1.078 19 residues pruned to eliminate duplicates Z: 21 20.284 1.784 0.692 0.922 1.000 0.800 CB 1.057 21 residues pruned to eliminate duplicates Z: 11 11.843 1.801 1.009 0.768 1.000 0.400 CB 0.816 11 residues pruned to eliminate duplicates Z: 29 15.442 1.703 0.616 0.634 0.929 0.464 CB 1.007 29 residues pruned to eliminate duplicates Z: 19 17.456 1.861 0.608 0.860 0.944 0.722 CB 1.071 19 residues pruned to eliminate duplicates Z: 19 16.795 1.863 0.927 0.865 0.889 0.778 CB 0.908 19 residues pruned to eliminate duplicates Z: 12 15.839 1.806 1.040 0.821 1.000 0.364 CB 0.981 12 residues pruned to eliminate duplicates Z: 16 18.805 1.855 0.898 0.882 0.867 0.733 CB 1.151 16 residues pruned to eliminate duplicates Z: 14 12.418 1.848 0.950 0.716 0.846 0.462 CB 0.929 14 residues pruned to eliminate duplicates Z: 21 17.016 1.840 0.737 0.722 0.950 0.550 CB 1.026 21 residues pruned to eliminate duplicates Z: 20 20.278 1.779 0.933 0.830 0.947 0.421 CB 1.073 20 residues pruned to eliminate duplicates Z: 18 18.939 1.806 1.086 0.869 0.882 0.353 CB 1.009 18 residues pruned to eliminate duplicates Z: 17 17.547 1.869 0.874 0.817 0.875 0.312 CB 1.087 17 residues pruned to eliminate duplicates Z: 22 18.260 1.870 1.098 0.783 0.952 0.381 CB 0.831 22 residues pruned to eliminate duplicates Z: 21 19.594 1.803 0.943 0.778 0.950 0.450 CB 1.031 21 residues pruned to eliminate duplicates Z: 20 15.350 1.798 0.987 0.857 0.947 0.474 CB 0.767 20 residues pruned to eliminate duplicates Z: 24 16.477 1.802 0.819 0.767 0.913 0.652 CB 0.906 24 residues pruned to eliminate duplicates Z: 29 14.699 1.829 0.865 0.653 0.893 0.464 CB 0.791 31 residues pruned to eliminate duplicates Z: 26 17.015 1.854 0.494 0.774 0.960 0.560 CB 1.005 26 residues pruned to eliminate duplicates Z: 13 13.949 1.934 0.433 0.593 0.917 0.500 CB 1.450 13 residues pruned to eliminate duplicates Z: 31 23.560 1.926 0.721 0.763 0.933 0.667 CB 1.101 31 residues pruned to eliminate duplicates Z: 35 23.392 1.884 0.671 0.801 0.912 0.559 CB 1.074 37 residues pruned to eliminate duplicates Z: 13 15.482 1.890 0.624 0.886 0.917 0.583 CB 1.146 13 residues pruned to eliminate duplicates Z: 36 26.588 1.869 0.651 0.804 0.971 0.714 CB 1.150 36 residues pruned to eliminate duplicates Z: 16 16.632 1.849 0.483 0.883 0.933 0.800 CB 1.213 16 residues pruned to eliminate duplicates Z: 38 24.528 1.862 0.662 0.806 0.946 0.649 CB 1.055 38 residues pruned to eliminate duplicates Z: 48 25.898 1.867 0.554 0.699 0.894 0.681 CB 1.215 46 residues pruned to eliminate duplicates Z: 16 18.168 1.824 0.578 0.833 1.000 0.667 CB 1.223 16 residues pruned to eliminate duplicates Z: 48 29.640 1.842 0.695 0.713 0.915 0.723 CB 1.248 48 residues pruned to eliminate duplicates Z: 17 23.311 1.853 0.620 0.902 1.000 0.875 CB 1.384 17 residues pruned to eliminate duplicates Z: 36 27.182 1.894 0.696 0.795 0.943 0.600 CB 1.172 34 residues pruned to eliminate duplicates Z: 13 17.221 1.939 0.647 0.875 0.833 0.750 CB 1.358 13 residues pruned to eliminate duplicates Z: 11 5.380 1.813 0.222 0.258 0.800 0.300 CB 1.266 11 residues pruned to eliminate duplicates Z: 37 24.381 1.888 0.696 0.775 0.917 0.750 CB 1.085 37 residues pruned to eliminate duplicates Z: 16 6.623 1.788 0.289 0.555 0.867 0.267 CB 0.811 16 residues pruned to eliminate duplicates Z: 43 26.107 1.890 0.763 0.686 0.857 0.643 CB 1.190 43 residues pruned to eliminate duplicates Z: 47 22.623 1.845 0.580 0.641 0.935 0.652 CB 1.073 47 residues pruned to eliminate duplicates Z: 49 28.322 1.895 0.718 0.730 0.896 0.458 CB 1.140 49 residues pruned to eliminate duplicates Z: 43 23.807 1.906 0.576 0.707 0.929 0.548 CB 1.091 43 residues pruned to eliminate duplicates Z: 53 23.119 1.849 0.702 0.711 0.827 0.423 CB 1.017 53 residues pruned to eliminate duplicates Z: 33 14.593 1.832 0.357 0.562 0.938 0.594 CB 1.043 33 residues pruned to eliminate duplicates Z: 58 30.861 1.881 0.750 0.708 0.947 0.474 CB 1.085 58 residues pruned to eliminate duplicates Z: 58 30.528 1.902 0.612 0.712 0.912 0.561 CB 1.192 58 residues pruned to eliminate duplicates Z: 37 18.829 1.875 0.522 0.571 0.861 0.444 CB 1.193 37 residues pruned to eliminate duplicates Z: 56 28.118 1.870 0.640 0.723 0.909 0.455 CB 1.112 56 residues pruned to eliminate duplicates Z: 18 20.861 1.979 0.670 0.706 0.941 0.588 CB 1.349 18 residues pruned to eliminate duplicates Z: 41 27.311 1.948 0.568 0.728 0.975 0.675 CB 1.181 41 residues pruned to eliminate duplicates Z: 19 29.883 2.003 0.799 0.939 1.000 0.722 CB 1.359 19 residues pruned to eliminate duplicates Z: 21 24.748 1.896 0.609 0.927 1.000 0.800 CB 1.272 21 residues pruned to eliminate duplicates Z: 58 28.480 1.856 0.668 0.682 0.895 0.544 CB 1.152 58 residues pruned to eliminate duplicates Z: 12 15.984 1.901 0.597 0.832 0.909 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 19 24.365 1.963 0.707 0.904 1.000 0.667 CB 1.221 19 residues pruned to eliminate duplicates Z: 58 31.153 1.906 0.644 0.758 0.895 0.526 CB 1.170 58 residues pruned to eliminate duplicates Z: 16 30.243 1.925 1.050 0.889 1.000 0.600 CB 1.424 16 residues pruned to eliminate duplicates Z: 15 17.598 1.775 0.958 0.726 0.786 0.357 CB 1.405 15 residues pruned to eliminate duplicates Z: 17 12.749 1.633 0.971 0.408 0.875 0.625 CB 1.247 17 residues pruned to eliminate duplicates Z: 26 18.376 1.719 0.619 0.544 1.000 0.600 CB 1.264 27 residues pruned to eliminate duplicates Z: 16 17.201 1.932 0.221 0.880 1.000 0.867 CB 1.364 16 residues pruned to eliminate duplicates Z: 19 17.470 1.861 0.321 0.805 1.000 0.778 CB 1.284 19 residues pruned to eliminate duplicates Z: 18 12.834 1.835 0.427 0.647 0.765 0.471 CB 1.356 18 residues pruned to eliminate duplicates Z: 18 15.456 1.851 0.662 0.727 0.824 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 19 18.303 1.942 0.394 0.726 0.944 0.778 CB 1.376 19 residues pruned to eliminate duplicates Z: 43 21.194 1.823 0.486 0.603 0.881 0.571 CB 1.243 43 residues pruned to eliminate duplicates Z: 32 28.397 1.939 0.714 0.755 0.935 0.710 CB 1.307 32 residues pruned to eliminate duplicates Z: 14 17.319 1.872 0.520 0.804 0.923 0.615 CB 1.402 14 residues pruned to eliminate duplicates Z: 18 19.225 1.917 0.519 0.802 1.000 0.706 CB 1.230 18 residues pruned to eliminate duplicates Z: 20 17.445 1.910 0.529 0.733 0.895 0.632 CB 1.242 20 residues pruned to eliminate duplicates Z: 19 18.639 1.936 0.475 0.805 0.944 0.722 CB 1.248 19 residues pruned to eliminate duplicates Z: 17 22.947 1.965 0.630 0.854 1.000 0.875 CB 1.323 17 residues pruned to eliminate duplicates Z: 27 15.717 1.817 0.630 0.659 0.846 0.500 CB 1.061 27 residues pruned to eliminate duplicates Z: 20 17.572 1.876 0.559 0.740 0.895 0.684 CB 1.242 20 residues pruned to eliminate duplicates Z: 30 24.120 1.846 0.750 0.640 0.897 0.690 CB 1.357 30 residues pruned to eliminate duplicates Z: 46 28.952 1.901 0.616 0.650 0.933 0.644 CB 1.309 46 residues pruned to eliminate duplicates Z: 27 16.255 1.873 0.413 0.652 0.808 0.462 CB 1.294 27 residues pruned to eliminate duplicates Z: 48 23.959 1.914 0.559 0.662 0.872 0.574 CB 1.155 48 residues pruned to eliminate duplicates Z: 22 13.776 1.866 0.394 0.677 0.810 0.524 CB 1.213 22 residues pruned to eliminate duplicates Z: 20 14.675 1.933 0.439 0.662 0.842 0.526 CB 1.237 20 residues pruned to eliminate duplicates Z: 35 17.748 1.816 0.684 0.547 0.853 0.588 CB 1.115 35 residues pruned to eliminate duplicates Z: 41 24.999 1.838 0.463 0.671 0.950 0.575 CB 1.321 41 residues pruned to eliminate duplicates Z: 16 18.687 1.814 0.663 0.805 0.933 0.867 CB 1.313 16 residues pruned to eliminate duplicates Z: 95 40.965 1.891 0.730 0.727 0.915 0.574 CB 1.150 95 residues pruned to eliminate duplicates Z: 21 13.748 1.852 0.482 0.610 0.850 0.550 CB 1.187 21 residues pruned to eliminate duplicates Z: 51 29.920 1.867 0.591 0.721 0.920 0.620 CB 1.268 51 residues pruned to eliminate duplicates Z: 41 23.318 1.859 0.557 0.642 0.850 0.525 CB 1.313 41 residues pruned to eliminate duplicates Z: 14 17.744 1.907 0.448 0.893 1.000 0.846 CB 1.279 15 residues pruned to eliminate duplicates Z: 15 20.461 1.816 0.512 0.915 1.000 0.929 CB 1.408 15 residues pruned to eliminate duplicates Z: 14 20.842 1.913 0.586 0.868 0.923 0.923 CB 1.509 14 residues pruned to eliminate duplicates Z: 36 24.139 1.907 0.588 0.706 0.886 0.629 CB 1.261 36 residues pruned to eliminate duplicates Z: 34 23.335 1.910 0.637 0.682 0.848 0.576 CB 1.295 35 residues pruned to eliminate duplicates Z: 15 21.061 1.886 0.537 0.884 1.000 0.786 CB 1.403 13 residues pruned to eliminate duplicates Z: 15 21.345 1.862 0.586 0.854 1.000 0.714 CB 1.426 15 residues pruned to eliminate duplicates Z: 19 14.741 1.827 0.569 0.696 0.833 0.444 CB 1.216 19 residues pruned to eliminate duplicates Z: 14 21.115 1.906 0.698 0.861 0.923 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 21 12.652 1.786 0.270 0.736 0.950 0.700 CB 1.062 21 residues pruned to eliminate duplicates Z: 8 6.006 1.461 0.661 0.481 0.857 0.429 CB 1.112 8 residues pruned to eliminate duplicates Z: 15 16.717 1.889 0.422 0.900 1.000 0.857 CB 1.188 15 residues pruned to eliminate duplicates Z: 16 15.032 1.894 0.473 0.807 0.867 0.800 CB 1.229 16 residues pruned to eliminate duplicates Z: 14 15.946 1.910 0.513 0.907 0.923 0.846 CB 1.179 14 residues pruned to eliminate duplicates Z: 14 11.844 1.792 0.289 0.824 0.846 0.846 CB 1.269 14 residues pruned to eliminate duplicates Z: 17 14.740 1.799 0.390 0.807 1.000 0.875 CB 1.127 17 residues pruned to eliminate duplicates Z: 10 11.961 1.890 0.732 0.776 0.778 0.667 CB 1.228 10 residues pruned to eliminate duplicates Z: 14 12.753 1.764 0.358 0.764 0.923 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 10 10.193 1.850 0.700 0.782 0.778 0.556 CB 1.083 10 residues pruned to eliminate duplicates Z: 10 13.013 1.855 0.795 0.804 1.000 0.778 CB 0.999 10 residues pruned to eliminate duplicates Z: 12 12.345 1.837 0.718 0.778 0.909 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 17 15.202 1.777 0.552 0.858 0.938 0.875 CB 1.083 16 residues pruned to eliminate duplicates Z: 16 18.623 1.788 0.714 0.907 1.000 0.867 CB 1.115 17 residues pruned to eliminate duplicates Z: 14 18.922 1.884 0.730 0.906 1.000 0.923 CB 1.145 14 residues pruned to eliminate duplicates Z: 17 14.653 1.787 0.532 0.864 1.000 0.812 CB 0.981 17 residues pruned to eliminate duplicates Z: 8 6.227 1.741 0.730 0.734 0.714 0.714 CB 0.887 8 residues pruned to eliminate duplicates Z: 9 8.424 1.800 0.781 0.774 0.875 0.750 CB 0.833 9 residues pruned to eliminate duplicates Z: 9 10.214 1.803 0.927 0.766 1.000 0.750 CB 0.821 9 residues pruned to eliminate duplicates Z: 18 14.956 1.899 0.647 0.822 0.941 0.941 CB 0.933 18 residues pruned to eliminate duplicates Z: 20 16.833 1.904 0.918 0.818 0.895 0.684 CB 0.896 18 residues pruned to eliminate duplicates Z: 18 17.025 2.032 0.650 0.940 1.000 0.941 CB 0.856 18 residues pruned to eliminate duplicates Z: 20 16.498 1.981 0.801 0.883 0.947 0.789 CB 0.810 20 residues pruned to eliminate duplicates Z: 25 16.253 1.839 0.846 0.729 0.917 0.625 CB 0.867 24 residues pruned to eliminate duplicates Z: 19 18.199 1.998 0.844 0.921 1.000 0.833 CB 0.819 22 residues pruned to eliminate duplicates Z: 20 17.010 1.972 0.852 0.905 1.000 0.789 CB 0.761 20 residues pruned to eliminate duplicates Z: 17 20.674 2.053 1.151 0.908 0.938 0.750 CB 0.886 17 residues pruned to eliminate duplicates Z: 21 18.932 1.930 1.086 0.783 0.900 0.600 CB 0.910 21 residues pruned to eliminate duplicates Z: 12 16.405 2.087 0.984 0.743 0.818 0.545 CB 1.175 12 residues pruned to eliminate duplicates Z: 9 21.699 2.209 1.564 0.883 0.875 0.625 CB 1.119 9 residues pruned to eliminate duplicates Z: 12 14.979 2.027 1.098 0.740 0.818 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 34 31.953 2.015 0.822 0.766 0.909 0.788 CB 1.316 34 residues pruned to eliminate duplicates Z: 35 26.845 2.002 0.865 0.749 0.882 0.588 CB 1.118 36 residues pruned to eliminate duplicates Z: 20 21.187 1.976 1.134 0.822 0.895 0.684 CB 0.975 19 residues pruned to eliminate duplicates Z: 19 28.007 2.107 0.589 0.860 0.944 0.778 CB 1.535 19 residues pruned to eliminate duplicates Z: 40 33.743 2.028 0.790 0.814 0.872 0.795 CB 1.299 40 residues pruned to eliminate duplicates Z: 19 32.210 2.133 0.676 0.867 0.944 0.889 CB 1.645 19 residues pruned to eliminate duplicates Z: 32 32.225 2.040 0.760 0.772 0.903 0.645 CB 1.403 32 residues pruned to eliminate duplicates Z: 31 22.981 2.030 0.745 0.753 0.867 0.633 CB 1.091 31 residues pruned to eliminate duplicates Z: 19 29.921 2.143 0.645 0.852 0.944 0.833 CB 1.567 19 residues pruned to eliminate duplicates Z: 36 26.966 2.000 0.840 0.682 0.829 0.571 CB 1.265 36 residues pruned to eliminate duplicates Z: 19 32.443 2.167 0.745 0.835 0.944 0.667 CB 1.604 19 residues pruned to eliminate duplicates Z: 20 33.948 2.126 0.766 0.826 0.947 0.737 CB 1.652 20 residues pruned to eliminate duplicates Z: 24 25.592 2.027 0.772 0.694 0.826 0.652 CB 1.506 24 residues pruned to eliminate duplicates Z: 21 31.938 2.061 0.759 0.802 0.950 0.700 CB 1.592 21 residues pruned to eliminate duplicates Z: 21 32.095 2.023 0.904 0.767 0.950 0.650 N 1.547 21 residues pruned to eliminate duplicates Z: 33 34.322 2.068 0.915 0.692 0.906 0.594 CB 1.418 33 residues pruned to eliminate duplicates Z: 39 30.421 2.080 0.817 0.826 0.895 0.632 CB 1.101 39 residues pruned to eliminate duplicates Z: 32 31.607 2.057 0.912 0.722 0.839 0.548 CB 1.408 32 residues pruned to eliminate duplicates Z: 31 17.394 1.934 0.591 0.536 0.767 0.567 CB 1.299 31 residues pruned to eliminate duplicates Z: 21 27.426 2.073 0.870 0.777 0.850 0.650 CB 1.457 21 residues pruned to eliminate duplicates Z: 41 30.334 1.972 0.867 0.720 0.875 0.550 CB 1.221 41 residues pruned to eliminate duplicates Z: 39 34.392 1.985 0.987 0.785 0.895 0.684 CB 1.230 39 residues pruned to eliminate duplicates Z: 13 10.167 1.703 0.602 0.700 0.833 0.333 CB 1.076 11 residues pruned to eliminate duplicates Z: 14 18.916 1.660 0.881 0.899 0.923 0.846 N 1.301 14 residues pruned to eliminate duplicates Z: 16 19.499 1.675 0.700 0.893 1.000 0.800 N 1.270 16 residues pruned to eliminate duplicates Z: 18 17.079 1.616 0.649 0.822 0.882 0.706 CB 1.333 18 residues pruned to eliminate duplicates Z: 16 13.225 1.646 0.673 0.742 0.867 0.600 N 1.152 16 residues pruned to eliminate duplicates Z: 38 23.473 1.653 0.759 0.796 0.919 0.676 CB 1.114 37 residues pruned to eliminate duplicates Z: 16 16.478 1.655 0.628 0.850 0.933 0.600 N 1.253 16 residues pruned to eliminate duplicates Z: 16 16.676 1.668 0.626 0.839 0.933 0.600 CB 1.271 16 residues pruned to eliminate duplicates Z: 16 19.657 1.724 0.713 0.827 1.000 0.533 CB 1.296 16 residues pruned to eliminate duplicates Z: 16 20.922 1.710 0.631 0.907 1.000 0.867 N 1.377 16 residues pruned to eliminate duplicates Z: 16 20.476 1.738 0.636 0.868 1.000 0.800 CB 1.358 16 residues pruned to eliminate duplicates Z: 17 21.369 1.663 0.786 0.877 1.000 0.750 N 1.306 17 residues pruned to eliminate duplicates Z: 16 22.413 1.693 0.756 0.919 1.000 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 17 20.824 1.697 0.814 0.842 0.938 0.625 N 1.344 17 residues pruned to eliminate duplicates Z: 13 5.570 1.462 0.578 0.537 0.750 0.333 N 0.895 13 residues pruned to eliminate duplicates Z: 14 9.136 1.631 0.561 0.605 0.923 0.692 CB 0.976 14 residues pruned to eliminate duplicates Z: 16 15.130 1.772 0.471 0.789 1.000 0.667 CB 1.162 16 residues pruned to eliminate duplicates Z: 11 10.255 1.839 0.338 0.713 0.900 0.600 CB 1.207 11 residues pruned to eliminate duplicates Z: 9 8.900 1.826 0.418 0.736 0.875 0.500 CB 1.123 9 residues pruned to eliminate duplicates Z: 14 14.381 1.783 0.512 0.743 0.923 0.462 CB 1.289 14 residues pruned to eliminate duplicates Z: 16 16.102 1.777 0.655 0.804 0.933 0.667 CB 1.161 16 residues pruned to eliminate duplicates Z: 13 14.337 1.772 0.466 0.758 1.000 0.667 CB 1.267 13 residues pruned to eliminate duplicates Z: 12 14.200 1.760 0.538 0.862 1.000 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 18 14.683 1.747 0.569 0.754 0.941 0.706 CB 1.101 18 residues pruned to eliminate duplicates Z: 15 20.148 1.857 0.666 0.874 1.000 0.643 CB 1.266 17 residues pruned to eliminate duplicates Z: 15 17.122 1.842 0.487 0.905 1.000 0.857 CB 1.188 15 residues pruned to eliminate duplicates Z: 31 20.926 1.787 0.683 0.684 0.900 0.633 CB 1.193 28 residues pruned to eliminate duplicates Z: 15 17.494 1.846 0.717 0.914 1.000 0.643 CB 1.043 15 residues pruned to eliminate duplicates Z: 15 16.871 1.842 0.713 0.841 1.000 0.429 CB 1.065 15 residues pruned to eliminate duplicates Z: 18 10.704 1.690 0.659 0.712 0.765 0.412 CB 0.999 18 residues pruned to eliminate duplicates Z: 14 14.224 1.773 0.573 0.722 0.923 0.692 CB 1.253 14 residues pruned to eliminate duplicates Z: 23 22.531 1.892 0.454 0.910 1.000 0.864 CB 1.238 23 residues pruned to eliminate duplicates Z: 11 13.022 1.829 0.473 0.805 1.000 0.700 CB 1.171 11 residues pruned to eliminate duplicates Z: 17 20.561 1.890 0.435 0.888 1.000 0.875 CB 1.365 17 residues pruned to eliminate duplicates Z: 19 18.975 1.796 0.606 0.694 1.000 0.778 CB 1.299 19 residues pruned to eliminate duplicates Z: 24 19.023 1.906 0.653 0.713 0.913 0.783 CB 1.137 24 residues pruned to eliminate duplicates Z: 20 19.069 1.947 0.638 0.729 0.947 0.947 CB 1.178 20 residues pruned to eliminate duplicates Z: 33 20.789 1.831 0.581 0.636 0.875 0.625 CB 1.277 48 residues pruned to eliminate duplicates Z: 21 25.079 2.013 0.665 0.839 1.000 0.900 CB 1.249 21 residues pruned to eliminate duplicates Z: 24 18.790 1.814 0.662 0.735 0.957 0.739 CB 1.100 24 residues pruned to eliminate duplicates Z: 28 19.479 1.874 0.572 0.758 0.926 0.778 CB 1.093 28 residues pruned to eliminate duplicates Z: 22 23.435 1.982 0.772 0.798 0.952 0.857 CB 1.178 22 residues pruned to eliminate duplicates Z: 23 23.358 1.914 0.670 0.768 0.955 0.955 CB 1.287 23 residues pruned to eliminate duplicates Z: 24 26.353 1.952 0.821 0.854 0.913 0.783 CB 1.250 24 residues pruned to eliminate duplicates Z: 21 30.297 2.007 0.971 0.834 1.000 0.800 CB 1.284 21 residues pruned to eliminate duplicates Z: 21 29.401 2.021 0.852 0.851 1.000 0.950 CB 1.301 21 residues pruned to eliminate duplicates Z: 22 25.063 1.951 0.892 0.794 1.000 0.571 CB 1.144 22 residues pruned to eliminate duplicates Z: 21 26.558 2.006 0.827 0.827 1.000 0.900 CB 1.221 21 residues pruned to eliminate duplicates Z: 23 26.393 1.998 0.770 0.862 0.909 0.773 CB 1.286 23 residues pruned to eliminate duplicates Z: 53 34.067 1.861 0.836 0.757 0.904 0.692 CB 1.217 57 residues pruned to eliminate duplicates Z: 23 24.094 1.908 0.789 0.861 0.909 0.591 CB 1.216 23 residues pruned to eliminate duplicates Z: 35 27.533 1.934 0.553 0.778 0.941 0.735 CB 1.308 35 residues pruned to eliminate duplicates Z: 35 22.015 1.884 0.659 0.667 0.853 0.588 CB 1.214 35 residues pruned to eliminate duplicates Z: 26 18.988 1.990 0.728 0.676 0.840 0.400 CB 1.118 26 residues pruned to eliminate duplicates Z: 28 21.382 1.921 0.792 0.679 0.889 0.370 CB 1.140 28 residues pruned to eliminate duplicates Z: 17 20.269 1.939 0.775 0.647 0.938 0.562 CB 1.369 17 residues pruned to eliminate duplicates Z: 37 30.147 1.955 0.786 0.759 0.944 0.722 CB 1.209 37 residues pruned to eliminate duplicates Z: 25 22.370 2.015 0.914 0.706 0.917 0.500 CB 1.071 25 residues pruned to eliminate duplicates Z: 18 17.542 2.020 0.579 0.687 0.941 0.765 CB 1.194 18 residues pruned to eliminate duplicates Z: 18 18.916 1.893 0.662 0.719 0.882 0.471 CB 1.357 18 residues pruned to eliminate duplicates Z: 27 16.858 1.987 0.811 0.570 0.769 0.577 CB 1.116 27 residues pruned to eliminate duplicates Z: 22 21.608 1.975 0.662 0.798 0.905 0.762 CB 1.224 22 residues pruned to eliminate duplicates Z: 38 31.008 1.967 0.804 0.826 0.892 0.595 CB 1.215 38 residues pruned to eliminate duplicates Z: 21 18.745 1.950 0.743 0.635 0.850 0.550 CB 1.278 21 residues pruned to eliminate duplicates Z: 18 24.727 2.037 0.878 0.710 0.941 0.706 CB 1.378 18 residues pruned to eliminate duplicates Z: 42 37.730 1.987 0.799 0.838 0.976 0.805 CB 1.263 41 residues pruned to eliminate duplicates Z: 43 37.050 1.895 0.884 0.835 0.952 0.762 CB 1.260 43 residues pruned to eliminate duplicates Z: 9 7.835 1.806 0.282 0.639 0.875 0.625 CB 1.201 9 residues pruned to eliminate duplicates Z: 13 6.048 1.804 0.429 0.527 0.667 0.583 CB 0.989 13 residues pruned to eliminate duplicates Z: 20 14.923 1.949 0.559 0.641 0.789 0.684 CB 1.250 20 residues pruned to eliminate duplicates Z: 11 7.516 1.722 0.343 0.634 0.900 0.500 CB 1.007 11 residues pruned to eliminate duplicates Z: 13 15.815 1.664 0.902 0.822 0.917 0.750 CB 1.190 13 residues pruned to eliminate duplicates Z: 11 11.067 1.780 0.627 0.702 0.900 0.700 CB 1.117 11 residues pruned to eliminate duplicates Z: 16 15.843 1.818 0.631 0.642 0.933 0.533 CB 1.294 16 residues pruned to eliminate duplicates Z: 13 20.232 1.907 0.665 0.804 1.000 0.917 CB 1.410 15 residues pruned to eliminate duplicates Z: 14 17.298 1.702 0.931 0.820 1.000 0.385 CB 1.106 14 residues pruned to eliminate duplicates Z: 12 10.884 1.907 0.879 0.682 0.818 0.545 CB 0.947 12 residues pruned to eliminate duplicates Z: 17 11.855 1.850 0.783 0.531 0.750 0.438 CB 1.163 17 residues pruned to eliminate duplicates Z: 13 13.569 1.872 0.703 0.758 0.833 0.583 CB 1.172 13 residues pruned to eliminate duplicates Z: 12 15.244 1.902 0.865 0.725 0.818 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 14 13.936 1.831 0.779 0.805 0.769 0.692 CB 1.182 14 residues pruned to eliminate duplicates Z: 13 21.439 1.875 0.904 0.892 1.000 0.500 CB 1.246 13 residues pruned to eliminate duplicates Z: 16 16.862 1.785 0.680 0.834 0.867 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 16 17.292 1.851 0.778 0.760 0.867 0.533 CB 1.242 16 residues pruned to eliminate duplicates Z: 7 6.341 1.770 0.217 0.570 0.833 0.333 CB 1.348 7 residues pruned to eliminate duplicates Z: 16 19.407 1.831 0.674 0.780 0.933 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 15 19.992 1.863 0.708 0.851 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 18 15.507 1.806 0.742 0.740 0.882 0.647 CB 1.093 18 residues pruned to eliminate duplicates Z: 17 17.757 1.827 0.843 0.784 0.875 0.625 CB 1.173 17 residues pruned to eliminate duplicates Z: 15 17.409 1.839 0.827 0.810 0.929 0.500 CB 1.138 15 residues pruned to eliminate duplicates Z: 18 13.186 1.755 0.779 0.689 0.765 0.471 CB 1.126 18 residues pruned to eliminate duplicates Z: 18 21.431 1.832 0.973 0.849 0.941 0.588 CB 1.133 18 residues pruned to eliminate duplicates Z: 18 13.568 1.745 0.595 0.775 0.824 0.471 CB 1.125 18 residues pruned to eliminate duplicates Z: 18 25.476 1.846 0.993 0.895 1.000 0.588 CB 1.204 18 residues pruned to eliminate duplicates Z: 19 21.411 1.825 0.922 0.922 1.000 0.889 CB 1.012 19 residues pruned to eliminate duplicates Z: 20 18.099 1.815 0.630 0.807 0.895 0.684 CB 1.200 20 residues pruned to eliminate duplicates Z: 30 16.915 1.741 0.572 0.676 0.862 0.586 CB 1.131 30 residues pruned to eliminate duplicates Z: 16 21.609 1.867 0.832 0.894 1.000 0.467 CB 1.171 16 residues pruned to eliminate duplicates Z: 18 22.018 1.871 0.850 0.911 1.000 0.706 CB 1.093 18 residues pruned to eliminate duplicates Z: 21 16.737 1.813 0.747 0.799 0.950 0.700 CB 0.957 20 residues pruned to eliminate duplicates Z: 17 13.205 1.666 0.329 0.877 0.938 0.938 CB 1.155 15 residues pruned to eliminate duplicates Z: 10 11.049 1.708 0.326 0.861 1.000 0.778 CB 1.194 10 residues pruned to eliminate duplicates Z: 14 11.235 1.663 0.222 0.743 0.923 0.615 CB 1.335 14 residues pruned to eliminate duplicates Z: 11 8.158 1.680 0.347 0.559 0.900 0.700 CB 1.196 11 residues pruned to eliminate duplicates Z: 36 21.625 1.723 0.606 0.807 0.943 0.800 CB 1.073 36 residues pruned to eliminate duplicates Z: 14 12.861 1.621 0.391 0.849 0.923 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 36 24.215 1.756 0.683 0.801 0.943 0.771 CB 1.129 36 residues pruned to eliminate duplicates Z: 13 17.968 1.801 0.540 0.862 1.000 0.833 CB 1.373 16 residues pruned to eliminate duplicates Z: 13 16.002 1.800 0.556 0.905 0.917 0.917 CB 1.281 13 residues pruned to eliminate duplicates Z: 50 25.628 1.784 0.635 0.716 0.878 0.653 CB 1.176 50 residues pruned to eliminate duplicates Z: 31 17.666 1.769 0.397 0.713 0.833 0.667 CB 1.291 24 residues pruned to eliminate duplicates Z: 16 16.979 1.716 0.614 0.899 1.000 0.733 CB 1.131 16 residues pruned to eliminate duplicates Z: 16 14.641 1.701 0.508 0.899 0.933 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 16 16.083 1.740 0.473 0.836 1.000 0.800 CB 1.213 16 residues pruned to eliminate duplicates Z: 35 22.936 1.756 0.656 0.836 0.941 0.676 CB 1.075 35 residues pruned to eliminate duplicates Z: 17 13.409 1.681 0.485 0.831 0.875 0.688 CB 1.153 17 residues pruned to eliminate duplicates Z: 27 15.147 1.784 0.342 0.675 0.846 0.654 CB 1.248 27 residues pruned to eliminate duplicates Z: 27 12.798 1.751 0.325 0.655 0.769 0.500 CB 1.218 27 residues pruned to eliminate duplicates Z: 11 5.071 1.764 0.064 0.586 0.700 0.600 CB 1.124 11 residues pruned to eliminate duplicates Z: 27 14.894 1.803 0.385 0.607 0.808 0.615 CB 1.309 27 residues pruned to eliminate duplicates Z: 10 4.004 1.706 0.059 0.337 0.778 0.444 CB 1.135 10 residues pruned to eliminate duplicates Z: 35 14.523 1.699 0.336 0.687 0.824 0.471 CB 1.123 31 residues pruned to eliminate duplicates Z: 13 12.877 1.856 0.331 0.839 0.917 0.917 CB 1.226 13 residues pruned to eliminate duplicates Z: 16 11.059 1.851 0.226 0.651 0.800 0.733 CB 1.367 16 residues pruned to eliminate duplicates Z: 26 16.083 1.755 0.326 0.708 0.880 0.560 CB 1.300 26 residues pruned to eliminate duplicates Z: 16 13.153 1.812 0.310 0.631 0.867 0.667 CB 1.459 16 residues pruned to eliminate duplicates Z: 20 12.669 1.777 0.227 0.671 0.895 0.737 CB 1.272 20 residues pruned to eliminate duplicates Z: 11 15.222 1.827 0.696 0.778 0.900 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 15 9.937 1.837 0.322 0.522 0.857 0.643 CB 1.248 15 residues pruned to eliminate duplicates Z: 16 9.513 1.819 0.229 0.505 0.867 0.667 CB 1.261 16 residues pruned to eliminate duplicates Z: 13 13.682 1.819 0.728 0.702 0.833 0.250 CB 1.254 13 residues pruned to eliminate duplicates Z: 32 20.477 1.748 0.561 0.734 0.871 0.516 CB 1.254 33 residues pruned to eliminate duplicates Z: 14 17.818 1.756 0.746 0.845 1.000 0.692 CB 1.198 13 residues pruned to eliminate duplicates Z: 15 15.998 1.754 0.813 0.803 0.857 0.500 CB 1.203 15 residues pruned to eliminate duplicates Z: 13 14.550 1.712 0.712 0.831 1.000 0.833 CB 1.077 13 residues pruned to eliminate duplicates Z: 6 6.746 1.446 0.652 0.781 1.000 0.600 N 0.986 6 residues pruned to eliminate duplicates Z: 14 5.732 1.524 0.381 0.519 0.923 0.615 CB 0.803 12 residues pruned to eliminate duplicates Z: 8 3.375 1.457 0.454 0.787 0.857 0.857 CB 0.546 8 residues pruned to eliminate duplicates Z: 6 6.344 1.502 0.541 0.870 1.000 0.800 CB 0.895 6 residues pruned to eliminate duplicates Z: 9 10.196 1.583 0.646 0.858 1.000 1.000 CB 1.018 9 residues pruned to eliminate duplicates Z: 9 8.646 1.541 0.591 0.793 0.875 0.625 CB 1.102 11 residues pruned to eliminate duplicates Z: 15 11.330 1.699 0.585 0.876 0.929 0.929 CB 0.880 15 residues pruned to eliminate duplicates Z: 14 11.162 1.788 0.418 0.850 0.923 0.923 CB 0.980 14 residues pruned to eliminate duplicates Z: 20 14.193 1.732 0.759 0.804 0.947 0.789 CB 0.865 20 residues pruned to eliminate duplicates Z: 16 9.906 1.732 0.688 0.806 0.800 0.600 CB 0.837 16 residues pruned to eliminate duplicates Z: 16 13.214 1.739 0.644 0.822 0.933 0.667 CB 0.967 16 residues pruned to eliminate duplicates Z: 15 13.191 1.829 0.882 0.817 0.929 0.786 CB 0.838 15 residues pruned to eliminate duplicates Z: 12 15.136 1.837 1.086 0.889 1.000 0.909 CB 0.857 12 residues pruned to eliminate duplicates Z: 16 12.757 1.752 0.967 0.838 0.800 0.667 CB 0.893 16 residues pruned to eliminate duplicates Z: 14 14.226 1.791 0.981 0.850 0.923 0.692 CB 0.893 14 residues pruned to eliminate duplicates Z: 10 9.470 1.724 1.012 0.832 0.889 0.333 CB 0.768 10 residues pruned to eliminate duplicates Z: 10 12.076 1.748 0.944 0.877 1.000 0.778 CB 0.860 10 residues pruned to eliminate duplicates Z: 18 12.690 1.672 0.951 0.818 0.941 0.588 CB 0.761 18 residues pruned to eliminate duplicates Z: 11 12.438 1.573 1.056 0.834 0.900 0.600 CB 1.013 11 residues pruned to eliminate duplicates Z: 9 3.047 1.680 0.050 0.351 0.875 0.375 CB 0.820 9 residues pruned to eliminate duplicates Z: 11 7.790 1.851 0.694 0.720 1.000 0.800 CB 0.644 11 residues pruned to eliminate duplicates Z: 18 9.764 1.804 0.526 0.500 0.824 0.529 CB 1.044 18 residues pruned to eliminate duplicates Z: 12 6.902 1.772 0.486 0.522 0.909 0.545 CB 0.851 12 residues pruned to eliminate duplicates Z: 13 8.916 1.807 0.483 0.638 0.917 0.583 CB 0.921 13 residues pruned to eliminate duplicates Z: 16 9.072 1.843 0.492 0.525 0.867 0.600 CB 0.959 16 residues pruned to eliminate duplicates Z: 14 9.853 1.837 0.620 0.587 0.923 0.692 CB 0.916 14 residues pruned to eliminate duplicates Z: 19 20.744 1.937 0.840 0.907 1.000 0.944 CB 0.975 20 residues pruned to eliminate duplicates Z: 18 14.986 1.886 0.650 0.829 0.882 0.647 CB 0.997 18 residues pruned to eliminate duplicates Z: 24 13.899 1.876 0.569 0.687 0.870 0.391 CB 0.954 24 residues pruned to eliminate duplicates Z: 23 17.401 1.943 0.632 0.782 1.000 0.773 CB 0.913 23 residues pruned to eliminate duplicates Z: 22 15.678 1.950 0.674 0.788 0.905 0.667 CB 0.899 22 residues pruned to eliminate duplicates Z: 24 15.580 1.900 0.577 0.742 1.000 0.652 CB 0.873 24 residues pruned to eliminate duplicates Z: 11 15.347 2.063 0.870 0.888 1.000 0.600 CB 0.906 11 residues pruned to eliminate duplicates Z: 20 22.445 1.921 1.095 0.900 1.000 0.895 CB 0.913 19 residues pruned to eliminate duplicates Z: 10 20.740 1.914 1.268 0.872 1.000 0.667 CB 1.161 10 residues pruned to eliminate duplicates Z: 19 18.814 1.848 1.279 0.864 0.944 0.500 CB 0.817 19 residues pruned to eliminate duplicates Z: 23 17.147 1.889 0.885 0.695 0.864 0.500 CB 0.994 23 residues pruned to eliminate duplicates Z: 28 20.524 1.910 0.789 0.751 0.852 0.704 CB 1.086 29 residues pruned to eliminate duplicates Z: 13 14.570 1.834 0.469 0.776 0.917 0.833 CB 1.335 13 residues pruned to eliminate duplicates Z: 28 14.452 1.872 0.697 0.626 0.741 0.407 CB 1.050 28 residues pruned to eliminate duplicates Z: 16 12.136 1.805 0.474 0.635 0.933 0.533 CB 1.111 16 residues pruned to eliminate duplicates Z: 14 13.917 1.818 0.450 0.721 1.000 0.846 CB 1.199 14 residues pruned to eliminate duplicates Z: 17 10.439 1.755 0.407 0.502 0.875 0.375 N 1.206 17 residues pruned to eliminate duplicates Z: 33 21.253 1.906 0.752 0.724 0.906 0.656 CB 1.014 32 residues pruned to eliminate duplicates Z: 17 15.691 1.626 0.532 0.847 0.938 0.688 CB 1.247 16 residues pruned to eliminate duplicates Z: 16 21.328 1.746 0.754 0.908 1.000 0.867 CB 1.277 16 residues pruned to eliminate duplicates Z: 12 20.163 1.764 0.709 0.894 1.000 0.818 N 1.446 12 residues pruned to eliminate duplicates Z: 17 11.625 1.696 0.440 0.650 0.875 0.500 CB 1.182 17 residues pruned to eliminate duplicates Z: 36 21.871 1.895 0.698 0.738 0.914 0.714 CB 1.015 36 residues pruned to eliminate duplicates Z: 34 23.531 1.916 0.776 0.682 0.909 0.606 CB 1.121 34 residues pruned to eliminate duplicates Z: 38 24.128 1.864 0.749 0.692 0.919 0.595 CB 1.110 38 residues pruned to eliminate duplicates Z: 17 16.755 1.711 0.712 0.775 0.875 0.562 CB 1.281 17 residues pruned to eliminate duplicates Z: 17 14.192 1.754 0.529 0.677 0.812 0.750 CB 1.384 17 residues pruned to eliminate duplicates Z: 23 15.552 1.845 0.312 0.564 0.909 0.636 CB 1.416 23 residues pruned to eliminate duplicates Z: 34 19.514 1.848 0.459 0.639 0.848 0.455 CB 1.303 33 residues pruned to eliminate duplicates Z: 21 25.135 1.880 0.551 0.806 1.000 0.750 CB 1.476 21 residues pruned to eliminate duplicates Z: 16 10.682 1.814 0.382 0.489 0.800 0.467 CB 1.390 16 residues pruned to eliminate duplicates Z: 12 20.954 2.068 0.651 0.690 1.000 0.909 N 1.555 12 residues pruned to eliminate duplicates Z: 16 19.128 2.004 0.468 0.724 0.867 0.600 CB 1.583 16 residues pruned to eliminate duplicates Z: 19 19.864 1.976 0.495 0.637 0.944 0.667 CB 1.475 19 residues pruned to eliminate duplicates Z: 19 18.597 2.002 0.478 0.627 0.889 0.667 CB 1.479 19 residues pruned to eliminate duplicates Z: 26 16.832 1.873 0.470 0.640 0.920 0.600 CB 1.166 26 residues pruned to eliminate duplicates Z: 31 25.583 1.942 0.536 0.657 0.933 0.667 CB 1.449 36 residues pruned to eliminate duplicates Z: 18 22.519 1.959 0.817 0.853 0.882 0.529 CB 1.285 18 residues pruned to eliminate duplicates Z: 27 15.419 1.798 0.429 0.548 0.846 0.577 CB 1.327 27 residues pruned to eliminate duplicates Z: 17 25.895 1.998 0.806 0.732 1.000 0.438 CB 1.456 17 residues pruned to eliminate duplicates Z: 21 17.857 1.842 0.892 0.764 0.950 0.300 CB 0.954 21 residues pruned to eliminate duplicates Z: 17 16.245 1.951 0.849 0.622 0.812 0.312 CB 1.235 17 residues pruned to eliminate duplicates Z: 16 17.892 1.945 0.841 0.647 0.867 0.400 N 1.298 16 residues pruned to eliminate duplicates Z: 20 16.603 1.857 0.757 0.534 0.842 0.368 CB 1.341 20 residues pruned to eliminate duplicates Z: 20 16.492 1.906 0.789 0.525 0.789 0.316 CB 1.371 20 residues pruned to eliminate duplicates Z: 33 21.348 1.909 0.632 0.620 0.812 0.344 CB 1.331 33 residues pruned to eliminate duplicates Z: 20 10.005 1.837 0.430 0.527 0.737 0.526 CB 1.155 20 residues pruned to eliminate duplicates Z: 54 27.979 1.920 0.560 0.650 0.830 0.528 CB 1.344 54 residues pruned to eliminate duplicates Z: 16 10.274 1.899 0.344 0.630 0.800 0.600 CB 1.149 16 residues pruned to eliminate duplicates Z: 54 25.838 1.942 0.496 0.671 0.849 0.623 CB 1.228 54 residues pruned to eliminate duplicates Z: 35 19.427 1.895 0.577 0.671 0.765 0.412 CB 1.245 35 residues pruned to eliminate duplicates Z: 36 21.979 1.844 0.508 0.664 0.943 0.514 CB 1.217 36 residues pruned to eliminate duplicates Z: 31 11.704 1.808 0.305 0.510 0.833 0.467 CB 1.076 31 residues pruned to eliminate duplicates Z: 19 13.754 1.872 0.306 0.754 0.889 0.611 CB 1.190 19 residues pruned to eliminate duplicates Z: 22 13.016 1.863 0.424 0.675 0.810 0.524 CB 1.126 22 residues pruned to eliminate duplicates Z: 23 14.641 1.917 0.357 0.683 0.909 0.591 CB 1.116 23 residues pruned to eliminate duplicates Z: 26 13.886 1.869 0.423 0.631 0.840 0.600 CB 1.100 26 residues pruned to eliminate duplicates Z: 18 13.670 1.873 0.600 0.732 0.882 0.588 CB 1.018 18 residues pruned to eliminate duplicates Z: 39 20.292 1.907 0.466 0.663 0.868 0.605 CB 1.166 39 residues pruned to eliminate duplicates Z: 38 23.358 1.941 0.498 0.674 0.892 0.649 CB 1.261 38 residues pruned to eliminate duplicates Z: 59 25.082 1.909 0.546 0.608 0.862 0.466 CB 1.168 59 residues pruned to eliminate duplicates Z: 28 14.039 1.741 0.483 0.629 0.889 0.593 CB 1.042 28 residues pruned to eliminate duplicates Z: 19 15.554 1.896 0.414 0.740 0.889 0.722 CB 1.241 19 residues pruned to eliminate duplicates Z: 40 23.690 1.914 0.569 0.642 0.872 0.615 CB 1.268 40 residues pruned to eliminate duplicates Z: 39 25.606 1.951 0.558 0.717 0.868 0.605 CB 1.293 45 residues pruned to eliminate duplicates Z: 19 21.174 1.979 0.681 0.824 0.889 0.667 CB 1.274 17 residues pruned to eliminate duplicates Z: 18 21.765 1.929 0.659 0.810 0.882 0.824 CB 1.428 19 residues pruned to eliminate duplicates Z: 17 27.421 1.916 0.644 0.925 1.000 0.750 CB 1.528 17 residues pruned to eliminate duplicates Z: 17 19.526 1.994 0.499 0.859 0.938 0.688 CB 1.282 17 residues pruned to eliminate duplicates Z: 18 20.331 1.861 0.752 0.840 0.941 0.765 CB 1.199 18 residues pruned to eliminate duplicates Z: 36 23.757 1.950 0.530 0.713 0.829 0.543 CB 1.340 36 residues pruned to eliminate duplicates Z: 37 25.870 1.906 0.615 0.709 0.889 0.583 CB 1.303 37 residues pruned to eliminate duplicates Z: 36 25.025 1.939 0.451 0.749 0.943 0.686 CB 1.276 36 residues pruned to eliminate duplicates Z: 37 25.681 1.928 0.588 0.702 0.917 0.611 CB 1.269 37 residues pruned to eliminate duplicates Z: 37 29.088 1.957 0.528 0.736 0.972 0.528 CB 1.348 37 residues pruned to eliminate duplicates Z: 35 20.829 1.907 0.510 0.666 0.853 0.588 CB 1.247 35 residues pruned to eliminate duplicates Z: 32 26.162 1.967 0.552 0.766 0.968 0.774 CB 1.257 32 residues pruned to eliminate duplicates Z: 17 25.499 2.094 0.640 0.820 0.938 0.812 CB 1.500 18 residues pruned to eliminate duplicates Z: 17 31.936 1.923 0.845 0.881 1.000 0.750 N 1.629 16 residues pruned to eliminate duplicates Z: 18 25.163 1.944 0.635 0.865 0.941 0.647 CB 1.495 18 residues pruned to eliminate duplicates Z: 38 25.326 1.953 0.545 0.744 0.919 0.703 CB 1.207 38 residues pruned to eliminate duplicates Z: 9 8.219 1.728 0.307 0.726 0.875 0.625 CB 1.199 9 residues pruned to eliminate duplicates Z: 15 19.254 1.903 0.648 0.794 1.000 0.857 CB 1.268 15 residues pruned to eliminate duplicates Z: 20 23.475 1.880 0.911 0.802 1.000 0.737 CB 1.151 21 residues pruned to eliminate duplicates Z: 21 27.918 2.001 0.789 0.920 1.000 0.850 CB 1.228 21 residues pruned to eliminate duplicates Z: 15 22.282 2.047 0.777 0.911 1.000 0.786 CB 1.160 15 residues pruned to eliminate duplicates Z: 21 20.077 1.767 0.689 0.780 0.900 0.700 CB 1.306 21 residues pruned to eliminate duplicates Z: 23 24.179 1.918 0.835 0.809 1.000 0.682 CB 1.118 23 residues pruned to eliminate duplicates Z: 17 23.345 1.949 0.807 0.867 0.938 0.500 CB 1.294 17 residues pruned to eliminate duplicates Z: 20 24.716 1.882 0.774 0.883 0.895 0.737 CB 1.372 19 residues pruned to eliminate duplicates Z: 22 23.118 1.961 0.687 0.892 1.000 0.762 CB 1.095 22 residues pruned to eliminate duplicates Z: 22 23.640 1.994 0.870 0.868 0.952 0.810 CB 1.062 22 residues pruned to eliminate duplicates Z: 23 21.561 1.983 0.765 0.804 0.909 0.773 CB 1.108 23 residues pruned to eliminate duplicates Z: 21 25.316 1.962 0.775 0.846 0.950 0.700 CB 1.271 21 residues pruned to eliminate duplicates Z: 24 23.548 1.982 0.808 0.775 0.826 0.739 CB 1.301 24 residues pruned to eliminate duplicates Z: 25 24.436 1.971 0.725 0.782 0.958 0.708 CB 1.194 25 residues pruned to eliminate duplicates Z: 23 21.540 1.940 0.576 0.829 0.909 0.636 CB 1.243 23 residues pruned to eliminate duplicates Z: 22 24.080 2.015 0.815 0.868 0.905 0.810 CB 1.161 22 residues pruned to eliminate duplicates Z: 22 22.678 1.981 0.826 0.872 0.952 0.857 CB 1.046 22 residues pruned to eliminate duplicates Z: 22 25.829 1.959 0.786 0.914 1.000 0.857 CB 1.139 22 residues pruned to eliminate duplicates Z: 41 32.464 1.954 0.736 0.829 0.900 0.775 CB 1.265 43 residues pruned to eliminate duplicates Z: 21 23.928 1.830 0.697 0.783 0.900 0.800 CB 1.492 21 residues pruned to eliminate duplicates Z: 18 12.787 1.811 0.468 0.692 0.706 0.588 CB 1.386 18 residues pruned to eliminate duplicates Z: 38 32.390 1.929 0.791 0.791 0.946 0.757 CB 1.262 38 residues pruned to eliminate duplicates Z: 18 17.773 1.902 0.556 0.615 0.824 0.471 CB 1.586 18 residues pruned to eliminate duplicates Z: 14 22.019 1.985 0.612 0.787 1.000 0.692 CB 1.483 14 residues pruned to eliminate duplicates Z: 39 29.194 1.931 0.774 0.745 0.895 0.632 CB 1.241 39 residues pruned to eliminate duplicates Z: 20 21.994 1.882 0.518 0.882 0.947 0.737 CB 1.348 20 residues pruned to eliminate duplicates Z: 36 32.370 1.997 0.771 0.806 0.943 0.714 CB 1.257 36 residues pruned to eliminate duplicates Z: 28 15.326 1.772 0.497 0.518 0.926 0.556 CB 1.180 28 residues pruned to eliminate duplicates Z: 18 23.732 1.923 0.722 0.863 0.882 0.706 CB 1.446 18 residues pruned to eliminate duplicates Z: 37 33.875 1.986 0.896 0.826 0.944 0.750 CB 1.197 38 residues pruned to eliminate duplicates Z: 18 28.944 1.866 0.763 0.953 1.000 0.882 CB 1.468 17 residues pruned to eliminate duplicates Z: 18 25.876 1.892 0.873 0.910 0.882 0.882 CB 1.423 18 residues pruned to eliminate duplicates Z: 30 22.070 1.787 0.563 0.680 0.966 0.655 CB 1.288 26 residues pruned to eliminate duplicates Z: 40 34.174 1.854 0.792 0.828 0.923 0.744 CB 1.343 40 residues pruned to eliminate duplicates Z: 41 35.587 1.969 0.716 0.838 0.975 0.850 CB 1.277 41 residues pruned to eliminate duplicates Z: 41 31.410 1.932 0.704 0.839 0.900 0.775 CB 1.252 41 residues pruned to eliminate duplicates Z: 11 17.004 2.016 0.646 0.883 1.000 0.900 CB 1.172 11 residues pruned to eliminate duplicates Z: 14 15.495 1.999 0.573 0.742 0.923 0.615 CB 1.192 14 residues pruned to eliminate duplicates Z: 18 21.992 1.981 0.530 0.892 0.941 0.765 CB 1.343 18 residues pruned to eliminate duplicates Z: 16 15.797 1.952 0.569 0.770 0.933 0.467 CB 1.123 16 residues pruned to eliminate duplicates Z: 15 17.317 1.929 0.634 0.677 0.929 0.429 CB 1.343 15 residues pruned to eliminate duplicates Z: 13 15.710 1.931 0.727 0.742 0.917 0.667 CB 1.195 13 residues pruned to eliminate duplicates Z: 17 28.230 1.923 0.853 0.913 1.000 0.812 CB 1.401 17 residues pruned to eliminate duplicates Z: 18 23.188 1.971 0.767 0.856 1.000 0.706 CB 1.191 18 residues pruned to eliminate duplicates Z: 18 27.771 2.011 0.712 0.874 1.000 0.824 CB 1.423 18 residues pruned to eliminate duplicates Z: 19 24.153 1.997 0.670 0.911 0.944 0.833 CB 1.281 19 residues pruned to eliminate duplicates Z: 19 26.936 2.003 0.737 0.918 1.000 0.778 CB 1.287 19 residues pruned to eliminate duplicates Z: 19 27.934 1.984 0.875 0.864 0.944 0.722 CB 1.373 19 residues pruned to eliminate duplicates Z: 20 23.802 1.961 0.827 0.816 0.895 0.737 CB 1.294 20 residues pruned to eliminate duplicates Z: 18 29.878 2.007 0.813 0.915 1.000 0.706 CB 1.408 18 residues pruned to eliminate duplicates Z: 22 20.694 1.785 0.837 0.692 0.952 0.429 CB 1.213 22 residues pruned to eliminate duplicates Z: 18 26.646 2.019 0.869 0.924 0.941 0.765 CB 1.277 18 residues pruned to eliminate duplicates 6 1.615 1.465 0.520 0.429 0.800 0.400 CB 0.436 ? Z: 19 21.652 1.894 1.042 0.864 0.944 0.444 CB 1.024 19 residues pruned to eliminate duplicates 793 residues left after pruning, divided into chains as follows: A: 39 B: 35 C: 41 D: 40 E: 59 F: 38 G: 43 H: 96 I: 15 J: 84 K: 31 L: 60 M: 34 N: 37 O: 141 CC for partial structure against native data = 40.90 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.651, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.736, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.868, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.880, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.888, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.888, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.889, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.887, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.885, Connect. = 0.774 for dens.mod. cycle 9 = 0.300, Contrast = 0.883, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2900 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 666 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 27.571 1.830 0.722 0.849 1.000 0.696 CB 1.352 B: 17 20.756 2.047 0.451 0.880 0.938 0.938 CB 1.350 C: 18 22.266 2.011 0.381 0.911 1.000 0.882 CB 1.379 D: 19 30.384 1.954 0.917 0.903 0.944 0.778 CB 1.443 E: 19 28.409 1.999 0.539 0.886 1.000 0.833 CB 1.571 18 residues pruned to eliminate duplicates F: 14 20.975 1.924 0.725 0.924 1.000 0.923 CB 1.231 G: 19 18.491 2.001 0.759 0.942 1.000 0.944 CB 0.859 H: 18 25.925 1.996 0.834 0.919 0.941 0.882 CB 1.286 18 residues pruned to eliminate duplicates I: 19 25.175 1.996 0.505 0.919 1.000 0.944 CB 1.392 17 residues pruned to eliminate duplicates J: 16 30.246 1.999 0.680 0.907 1.000 1.000 CB 1.653 K: 17 20.961 1.945 0.683 0.743 0.938 0.625 CB 1.374 L: 14 18.777 1.956 0.334 0.895 1.000 0.923 CB 1.430 M: 20 23.780 1.875 0.561 0.939 1.000 0.895 CB 1.295 18 residues pruned to eliminate duplicates N: 19 21.844 2.010 0.416 0.860 0.944 0.833 CB 1.408 19 residues pruned to eliminate duplicates O: 21 26.717 1.917 0.633 0.926 1.000 0.950 CB 1.338 P: 15 27.411 2.089 0.581 0.918 1.000 1.000 CB 1.565 15 residues pruned to eliminate duplicates Q: 21 16.923 1.788 0.837 0.908 0.800 0.450 CB 1.023 R: 21 26.966 2.025 0.937 0.893 1.000 0.650 CB 1.103 S: 10 11.024 1.979 0.566 0.859 0.889 0.889 CB 0.981 T: 20 21.751 1.954 0.619 0.874 0.947 0.842 CB 1.212 16 residues pruned to eliminate duplicates U: 16 16.314 1.778 0.569 0.907 1.000 0.933 CB 1.073 14 residues pruned to eliminate duplicates V: 19 21.724 1.883 0.607 0.873 1.000 0.833 CB 1.233 W: 20 21.286 1.891 0.434 0.934 1.000 0.895 CB 1.256 20 residues pruned to eliminate duplicates X: 13 19.263 1.813 0.482 0.891 1.000 0.917 CB 1.488 Y: 20 26.477 2.049 0.864 0.928 0.947 0.579 CB 1.176 20 residues pruned to eliminate duplicates Z: 21 24.619 1.949 0.617 0.924 1.000 0.850 CB 1.227 Z: 12 14.693 1.896 0.371 0.924 1.000 1.000 CB 1.197 Z: 21 22.489 1.833 0.645 0.913 1.000 0.750 CB 1.180 21 residues pruned to eliminate duplicates Z: 19 21.426 1.941 0.420 0.888 1.000 0.889 CB 1.320 19 residues pruned to eliminate duplicates Z: 21 28.681 1.973 0.741 0.925 1.000 0.900 CB 1.311 21 residues pruned to eliminate duplicates Z: 23 24.291 1.913 0.860 0.943 0.955 0.636 CB 1.056 Z: 17 16.538 1.857 0.610 0.646 0.938 0.750 CB 1.287 Z: 15 12.006 1.899 0.599 0.508 0.786 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 16 23.208 1.968 0.413 0.883 1.000 0.867 O 1.558 16 residues pruned to eliminate duplicates Z: 24 30.111 1.841 0.783 0.900 1.000 0.783 CB 1.366 23 residues pruned to eliminate duplicates Z: 17 20.796 1.911 0.489 0.913 1.000 0.875 CB 1.294 17 residues pruned to eliminate duplicates Z: 21 27.348 1.935 0.837 0.910 1.000 0.800 CB 1.220 21 residues pruned to eliminate duplicates Z: 19 21.641 2.005 0.444 0.928 1.000 0.944 CB 1.234 19 residues pruned to eliminate duplicates Z: 21 24.830 1.939 0.674 0.905 1.000 0.850 CB 1.218 21 residues pruned to eliminate duplicates Z: 10 17.792 2.122 0.759 0.923 1.000 0.667 CB 1.117 11 residues pruned to eliminate duplicates Z: 19 17.590 1.798 0.516 0.883 0.944 0.833 CB 1.165 10 residues pruned to eliminate duplicates Z: 18 25.116 2.095 0.584 0.904 0.941 0.882 CB 1.389 18 residues pruned to eliminate duplicates Z: 16 16.066 1.783 0.488 0.905 1.000 0.867 CB 1.113 12 residues pruned to eliminate duplicates Z: 22 25.263 1.880 0.725 0.905 1.000 0.857 CB 1.210 22 residues pruned to eliminate duplicates Z: 20 21.829 1.864 0.790 0.897 0.895 0.684 CB 1.201 20 residues pruned to eliminate duplicates Z: 22 21.677 1.830 0.573 0.889 0.952 0.857 CB 1.243 21 residues pruned to eliminate duplicates Z: 19 23.179 1.928 0.548 0.928 1.000 0.944 CB 1.282 19 residues pruned to eliminate duplicates Z: 17 24.566 1.906 0.501 0.911 1.000 0.875 CB 1.521 17 residues pruned to eliminate duplicates Z: 15 11.380 1.787 0.453 0.870 0.929 0.786 CB 0.921 15 residues pruned to eliminate duplicates Z: 14 20.973 2.012 0.646 0.878 0.923 0.923 CB 1.381 Z: 18 11.428 1.822 0.471 0.899 1.000 0.824 CB 0.739 Z: 19 24.488 1.991 0.633 0.865 0.944 0.833 CB 1.377 19 residues pruned to eliminate duplicates Z: 23 24.448 1.864 0.845 0.890 0.955 0.773 CB 1.142 21 residues pruned to eliminate duplicates Z: 17 26.932 2.116 0.526 0.916 1.000 0.875 CB 1.473 17 residues pruned to eliminate duplicates Z: 23 26.546 1.950 0.622 0.940 1.000 0.773 CB 1.242 22 residues pruned to eliminate duplicates Z: 18 27.124 1.917 0.900 0.920 1.000 0.941 CB 1.272 18 residues pruned to eliminate duplicates Z: 12 21.309 1.967 0.812 0.863 1.000 0.818 CB 1.323 11 residues pruned to eliminate duplicates Z: 17 21.277 1.897 0.691 0.886 1.000 0.875 CB 1.196 15 residues pruned to eliminate duplicates Z: 16 20.274 1.988 0.319 0.924 1.000 1.000 CB 1.402 16 residues pruned to eliminate duplicates Z: 35 22.159 1.892 0.604 0.837 0.912 0.735 CB 1.027 24 residues pruned to eliminate duplicates Z: 8 15.220 2.164 0.906 0.840 0.857 0.571 CB 1.214 8 residues pruned to eliminate duplicates Z: 17 15.135 1.794 0.783 0.887 0.938 0.875 CB 0.910 17 residues pruned to eliminate duplicates Z: 22 33.237 1.931 0.938 0.912 1.000 0.857 CB 1.373 24 residues pruned to eliminate duplicates Z: 20 17.530 2.011 0.112 0.767 0.947 0.789 CB 1.498 20 residues pruned to eliminate duplicates Z: 14 12.680 1.751 0.157 0.910 1.000 0.769 CB 1.231 Z: 15 17.124 1.813 0.320 0.922 1.000 0.857 CB 1.344 15 residues pruned to eliminate duplicates Z: 7 2.603 1.665 0.804 0.248 0.500 0.333 N 0.946 Z: 18 26.616 2.101 0.500 0.894 1.000 0.824 CB 1.468 18 residues pruned to eliminate duplicates Z: 36 18.987 1.889 0.374 0.603 0.857 0.514 CB 1.307 19 residues pruned to eliminate duplicates Z: 19 23.137 1.936 0.567 0.884 0.944 0.833 CB 1.375 14 residues pruned to eliminate duplicates Z: 10 2.270 1.477 -0.043 0.226 0.778 0.333 N 0.948 Z: 17 19.700 2.034 0.690 0.940 1.000 0.938 CB 0.995 16 residues pruned to eliminate duplicates Z: 16 17.413 1.837 0.404 0.915 0.933 0.933 CB 1.320 Z: 6 6.509 1.538 1.199 0.773 0.800 0.600 CB 0.845 Z: 19 11.956 1.773 0.694 0.830 0.889 0.722 CB 0.794 18 residues pruned to eliminate duplicates Z: 24 21.001 1.862 0.561 0.921 0.913 0.609 CB 1.161 24 residues pruned to eliminate duplicates Z: 17 24.397 1.966 0.498 0.903 1.000 0.812 CB 1.476 17 residues pruned to eliminate duplicates Z: 22 20.794 1.910 0.755 0.880 0.905 0.667 CB 1.084 22 residues pruned to eliminate duplicates Z: 22 24.466 1.908 0.707 0.893 1.000 0.857 CB 1.176 22 residues pruned to eliminate duplicates Z: 22 25.062 1.974 0.599 0.905 0.952 0.857 CB 1.295 22 residues pruned to eliminate duplicates Z: 16 19.811 1.938 0.547 0.890 0.867 0.800 CB 1.416 15 residues pruned to eliminate duplicates Z: 19 18.881 1.875 0.393 0.854 1.000 0.667 CB 1.259 19 residues pruned to eliminate duplicates Z: 16 24.885 1.987 1.003 0.877 0.933 0.667 CB 1.256 16 residues pruned to eliminate duplicates Z: 23 22.220 1.938 0.642 0.792 0.864 0.727 CB 1.333 23 residues pruned to eliminate duplicates Z: 16 17.454 1.884 0.522 0.888 1.000 0.600 CB 1.132 Z: 17 25.697 2.128 0.735 0.905 1.000 0.875 CB 1.238 17 residues pruned to eliminate duplicates Z: 18 25.232 1.866 0.518 0.922 1.000 0.941 CB 1.520 17 residues pruned to eliminate duplicates Z: 16 15.595 1.878 0.327 0.811 0.867 0.867 CB 1.422 16 residues pruned to eliminate duplicates Z: 21 21.506 1.939 0.765 0.860 1.000 0.650 CB 1.034 Z: 21 7.926 1.640 0.437 0.340 0.750 0.500 CB 1.193 Z: 17 24.253 1.933 0.406 0.910 1.000 0.875 CB 1.582 17 residues pruned to eliminate duplicates Z: 22 27.167 1.933 1.115 0.855 0.952 0.524 CB 1.124 23 residues pruned to eliminate duplicates Z: 40 24.237 1.961 0.606 0.662 0.821 0.564 CB 1.292 36 residues pruned to eliminate duplicates Z: 17 28.248 1.947 0.579 0.939 1.000 0.938 CB 1.597 17 residues pruned to eliminate duplicates Z: 20 12.356 1.758 0.230 0.914 0.947 0.895 CB 0.979 Z: 19 21.678 1.954 1.144 0.908 1.000 0.833 CB 0.866 18 residues pruned to eliminate duplicates Z: 14 18.177 1.867 0.578 0.895 0.923 0.692 CB 1.329 14 residues pruned to eliminate duplicates Z: 21 20.902 1.829 0.810 0.888 0.950 0.650 CB 1.071 21 residues pruned to eliminate duplicates Z: 22 21.667 1.783 0.826 0.837 0.952 0.714 CB 1.140 Z: 23 28.796 1.909 0.822 0.934 1.000 0.773 CB 1.230 34 residues pruned to eliminate duplicates Z: 15 18.115 1.956 0.653 0.932 0.929 0.857 CB 1.126 15 residues pruned to eliminate duplicates Z: 17 20.944 1.867 0.531 0.868 0.938 0.750 CB 1.428 16 residues pruned to eliminate duplicates Z: 20 30.822 1.937 0.794 0.919 1.000 0.842 CB 1.433 19 residues pruned to eliminate duplicates Z: 18 28.969 2.040 0.695 0.916 1.000 0.941 CB 1.436 35 residues pruned to eliminate duplicates Z: 19 19.587 1.883 0.368 0.914 1.000 1.000 CB 1.268 19 residues pruned to eliminate duplicates Z: 21 28.398 2.018 0.680 0.919 1.000 0.950 CB 1.320 21 residues pruned to eliminate duplicates Z: 20 20.021 1.825 0.797 0.830 0.947 0.789 CB 1.112 20 residues pruned to eliminate duplicates Z: 6 2.135 1.423 1.080 0.295 0.600 0.400 N 0.677 Z: 15 7.268 1.698 0.666 0.697 0.786 0.500 CB 0.730 Z: 19 19.296 1.969 0.560 0.876 1.000 0.833 CB 1.076 19 residues pruned to eliminate duplicates Z: 8 9.368 1.656 0.613 0.764 0.857 0.857 CB 1.223 Z: 18 17.364 1.749 0.465 0.874 1.000 0.824 CB 1.197 15 residues pruned to eliminate duplicates Z: 19 16.376 1.936 0.431 0.932 0.944 0.944 CB 1.030 19 residues pruned to eliminate duplicates Z: 13 19.088 1.870 0.695 0.850 1.000 0.833 CB 1.288 Z: 38 26.935 1.973 0.687 0.845 0.973 0.622 CB 1.017 40 residues pruned to eliminate duplicates Z: 17 17.924 1.820 0.671 0.875 1.000 0.812 CB 1.071 17 residues pruned to eliminate duplicates Z: 14 12.747 1.813 0.417 0.925 1.000 0.923 CB 0.966 Z: 15 21.144 1.798 0.750 0.924 1.000 0.857 CB 1.261 Z: 14 13.803 1.594 0.682 0.838 0.923 0.692 CB 1.156 Z: 23 26.827 1.936 0.860 0.906 0.955 0.818 CB 1.184 24 residues pruned to eliminate duplicates Z: 20 24.402 1.810 0.626 0.870 0.947 0.789 CB 1.466 14 residues pruned to eliminate duplicates Z: 18 21.643 2.077 0.557 0.891 1.000 0.824 CB 1.167 18 residues pruned to eliminate duplicates Z: 19 20.397 1.996 0.648 0.845 0.889 0.722 CB 1.223 19 residues pruned to eliminate duplicates Z: 11 6.547 1.794 0.856 0.894 1.000 0.700 CB 0.446 Z: 21 12.498 1.945 0.103 0.649 0.850 0.800 CB 1.335 21 residues pruned to eliminate duplicates Z: 13 27.781 2.087 0.962 0.905 0.917 0.667 CB 1.521 13 residues pruned to eliminate duplicates Z: 18 15.047 1.782 0.363 0.821 0.941 0.647 CB 1.209 16 residues pruned to eliminate duplicates Z: 19 24.082 2.025 0.639 0.920 1.000 0.833 CB 1.205 19 residues pruned to eliminate duplicates Z: 24 13.269 1.776 0.889 0.774 0.870 0.217 CB 0.745 Z: 18 22.025 1.896 0.393 0.908 1.000 0.882 CB 1.437 18 residues pruned to eliminate duplicates Z: 18 17.873 1.819 0.877 0.901 1.000 0.765 CB 0.906 16 residues pruned to eliminate duplicates Z: 22 26.189 1.977 0.627 0.897 1.000 0.857 CB 1.272 22 residues pruned to eliminate duplicates Z: 11 13.514 1.915 0.674 0.843 1.000 0.800 CB 0.993 11 residues pruned to eliminate duplicates Z: 6 6.131 1.792 0.562 0.813 0.800 0.800 CB 0.932 7 residues pruned to eliminate duplicates Z: 6 8.635 1.879 0.796 0.664 0.800 0.600 CB 1.228 Z: 15 13.312 1.849 0.744 0.913 1.000 0.857 CB 0.781 17 residues pruned to eliminate duplicates Z: 17 25.162 1.905 0.695 0.903 0.938 0.875 CB 1.481 17 residues pruned to eliminate duplicates Z: 14 13.806 1.738 0.302 0.871 1.000 0.692 CB 1.234 14 residues pruned to eliminate duplicates Z: 6 4.728 1.760 0.277 0.834 1.000 0.600 CB 0.705 Z: 16 13.697 1.655 0.576 0.838 1.000 0.733 CB 1.014 Z: 19 28.416 1.964 0.743 0.912 1.000 0.833 CB 1.386 19 residues pruned to eliminate duplicates Z: 17 18.891 1.807 0.511 0.905 0.938 0.938 CB 1.314 17 residues pruned to eliminate duplicates Z: 17 21.565 2.072 0.948 0.924 1.000 0.500 CB 0.938 17 residues pruned to eliminate duplicates Z: 19 9.977 1.828 0.099 0.758 0.778 0.722 CB 1.197 Z: 12 14.080 1.855 0.392 0.902 1.000 0.818 CB 1.173 Z: 9 6.606 1.802 1.033 0.731 0.500 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 36 22.040 1.881 0.317 0.687 0.914 0.657 CB 1.385 33 residues pruned to eliminate duplicates Z: 17 23.003 1.889 1.042 0.926 0.938 0.750 CB 1.116 20 residues pruned to eliminate duplicates Z: 23 20.114 1.851 0.618 0.888 0.955 0.727 CB 1.081 23 residues pruned to eliminate duplicates Z: 10 6.551 1.653 0.778 0.423 0.667 0.333 CB 1.207 Z: 23 20.262 1.856 0.712 0.837 0.909 0.500 CB 1.119 23 residues pruned to eliminate duplicates Z: 27 21.157 1.853 0.618 0.697 0.962 0.731 CB 1.203 32 residues pruned to eliminate duplicates Z: 20 19.171 1.824 0.571 0.932 1.000 0.737 CB 1.072 20 residues pruned to eliminate duplicates Z: 11 10.633 1.896 0.329 0.881 1.000 0.900 CB 0.966 11 residues pruned to eliminate duplicates Z: 23 28.983 1.929 0.731 0.936 1.000 0.909 CB 1.288 23 residues pruned to eliminate duplicates Z: 16 16.854 1.837 0.326 0.807 0.933 0.800 O 1.465 16 residues pruned to eliminate duplicates Z: 23 23.993 1.893 0.658 0.846 0.955 0.682 CB 1.268 23 residues pruned to eliminate duplicates Z: 18 24.323 1.979 0.649 0.902 1.000 0.941 CB 1.289 19 residues pruned to eliminate duplicates Z: 8 6.873 1.661 0.380 0.831 1.000 0.857 CB 0.851 9 residues pruned to eliminate duplicates Z: 9 4.536 1.715 0.643 0.474 0.875 0.625 CB 0.668 Z: 18 23.008 2.035 0.443 0.896 1.000 0.882 CB 1.361 19 residues pruned to eliminate duplicates Z: 6 3.018 1.755 0.424 0.592 0.600 0.600 CB 0.824 Z: 17 16.030 1.899 0.551 0.813 0.938 0.750 CB 1.106 Z: 19 21.926 1.984 0.754 0.908 0.889 0.722 CB 1.187 19 residues pruned to eliminate duplicates Z: 19 23.857 1.964 0.662 0.897 0.944 0.889 CB 1.306 19 residues pruned to eliminate duplicates Z: 11 12.099 1.781 0.854 0.806 0.800 0.500 CB 1.109 11 residues pruned to eliminate duplicates Z: 23 22.749 1.933 0.594 0.895 0.955 0.818 CB 1.182 23 residues pruned to eliminate duplicates Z: 15 23.861 1.886 0.724 0.901 1.000 0.786 CB 1.399 16 residues pruned to eliminate duplicates Z: 14 16.576 1.731 0.771 0.808 0.923 0.769 CB 1.243 Z: 7 4.885 1.671 0.880 0.874 1.000 0.833 CB 0.462 Z: 16 13.791 1.582 0.528 0.902 0.933 0.800 CB 1.125 Z: 19 18.330 1.849 0.459 0.852 0.944 0.833 CB 1.254 19 residues pruned to eliminate duplicates Z: 17 14.937 1.801 0.162 0.915 1.000 0.938 CB 1.261 17 residues pruned to eliminate duplicates Z: 34 23.374 1.838 0.523 0.689 0.909 0.667 CB 1.344 36 residues pruned to eliminate duplicates Z: 13 14.951 1.804 0.662 0.918 1.000 1.000 CB 1.015 13 residues pruned to eliminate duplicates Z: 12 13.248 1.841 0.429 0.823 0.909 0.727 CB 1.262 12 residues pruned to eliminate duplicates Z: 20 25.705 1.973 0.499 0.906 0.947 0.895 CB 1.496 19 residues pruned to eliminate duplicates Z: 13 4.400 1.698 0.270 0.415 0.833 0.583 CB 0.772 Z: 11 10.345 1.841 0.367 0.821 0.800 0.700 CB 1.230 11 residues pruned to eliminate duplicates Z: 18 18.634 1.940 0.465 0.903 1.000 0.882 CB 1.133 18 residues pruned to eliminate duplicates Z: 22 24.399 1.929 0.550 0.919 1.000 0.810 CB 1.255 22 residues pruned to eliminate duplicates Z: 15 13.163 1.716 0.640 0.776 0.857 0.429 CB 1.143 14 residues pruned to eliminate duplicates Z: 15 9.738 1.654 0.721 0.468 0.857 0.429 CB 1.103 15 residues pruned to eliminate duplicates Z: 20 30.460 1.883 1.057 0.929 1.000 0.895 CB 1.263 20 residues pruned to eliminate duplicates Z: 21 20.190 1.708 0.523 0.878 0.950 0.900 CB 1.326 21 residues pruned to eliminate duplicates Z: 19 26.086 1.969 1.046 0.857 0.944 0.556 CB 1.191 21 residues pruned to eliminate duplicates Z: 18 18.252 1.888 0.344 0.876 0.941 0.882 CB 1.347 16 residues pruned to eliminate duplicates Z: 20 21.061 1.875 0.835 0.842 0.947 0.526 CB 1.105 20 residues pruned to eliminate duplicates Z: 17 12.845 1.820 0.848 0.894 0.812 0.500 CB 0.843 17 residues pruned to eliminate duplicates Z: 16 10.030 1.747 0.621 0.544 0.733 0.267 CB 1.195 15 residues pruned to eliminate duplicates Z: 14 21.449 1.832 0.914 0.790 1.000 0.769 CB 1.315 12 residues pruned to eliminate duplicates Z: 20 26.223 1.825 0.718 0.886 0.947 0.737 CB 1.461 19 residues pruned to eliminate duplicates Z: 17 25.895 2.010 0.645 0.912 1.000 0.812 CB 1.387 17 residues pruned to eliminate duplicates Z: 15 12.300 1.663 0.514 0.845 0.857 0.786 CB 1.132 15 residues pruned to eliminate duplicates Z: 17 18.020 1.588 0.593 0.895 1.000 0.812 N 1.277 14 residues pruned to eliminate duplicates Z: 17 22.057 2.009 0.608 0.882 1.000 0.750 CB 1.235 17 residues pruned to eliminate duplicates Z: 17 24.787 1.895 0.585 0.901 1.000 0.875 CB 1.472 18 residues pruned to eliminate duplicates Z: 18 15.927 1.868 0.507 0.848 0.941 0.824 CB 1.082 18 residues pruned to eliminate duplicates Z: 10 4.401 1.862 0.566 0.914 1.000 1.000 CB 0.356 Z: 18 21.807 1.950 0.738 0.891 1.000 0.882 CB 1.122 18 residues pruned to eliminate duplicates Z: 22 18.042 1.703 0.586 0.890 1.000 0.762 CB 1.049 20 residues pruned to eliminate duplicates Z: 16 19.357 1.901 0.452 0.891 1.000 0.667 CB 1.302 18 residues pruned to eliminate duplicates Z: 14 17.687 1.814 0.506 0.926 0.923 0.923 CB 1.364 13 residues pruned to eliminate duplicates Z: 9 6.053 1.671 0.628 0.826 0.875 0.625 CB 0.678 9 residues pruned to eliminate duplicates Z: 17 33.556 1.967 0.927 0.923 1.000 1.000 CB 1.556 17 residues pruned to eliminate duplicates Z: 17 17.247 1.532 0.765 0.850 0.938 0.750 CB 1.261 16 residues pruned to eliminate duplicates Z: 13 21.147 1.881 0.636 0.929 1.000 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 15 20.006 1.900 0.797 0.868 0.929 0.714 CB 1.233 15 residues pruned to eliminate duplicates Z: 17 15.800 1.867 0.626 0.852 0.938 0.500 CB 1.027 17 residues pruned to eliminate duplicates Z: 15 16.020 1.612 0.783 0.818 0.857 0.500 O 1.319 15 residues pruned to eliminate duplicates Z: 9 6.601 1.664 0.899 0.814 0.750 0.625 CB 0.749 9 residues pruned to eliminate duplicates Z: 22 24.274 1.911 0.766 0.853 0.905 0.714 CB 1.282 22 residues pruned to eliminate duplicates Z: 22 25.772 1.974 1.007 0.910 0.952 0.667 CB 1.057 22 residues pruned to eliminate duplicates Z: 12 6.549 1.676 0.207 0.795 1.000 0.818 CB 0.754 Z: 7 4.728 1.644 0.931 0.853 0.833 0.833 CB 0.539 7 residues pruned to eliminate duplicates Z: 19 18.307 1.891 0.308 0.842 1.000 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 18 17.947 1.830 0.330 0.860 0.941 0.824 CB 1.398 18 residues pruned to eliminate duplicates Z: 17 23.618 1.896 0.559 0.931 1.000 1.000 CB 1.396 17 residues pruned to eliminate duplicates Z: 14 15.958 1.761 0.542 0.780 1.000 0.692 CB 1.273 13 residues pruned to eliminate duplicates Z: 18 23.824 1.973 0.974 0.893 0.941 0.471 CB 1.132 18 residues pruned to eliminate duplicates Z: 11 17.350 2.027 0.443 0.893 1.000 0.900 CB 1.347 11 residues pruned to eliminate duplicates Z: 19 20.898 2.043 0.786 0.933 0.944 0.889 CB 0.998 19 residues pruned to eliminate duplicates Z: 23 21.708 1.755 0.624 0.893 1.000 0.773 CB 1.165 23 residues pruned to eliminate duplicates Z: 18 9.169 1.711 0.308 0.856 0.882 0.824 CB 0.830 18 residues pruned to eliminate duplicates Z: 13 16.166 1.741 0.438 0.887 1.000 0.917 CB 1.344 12 residues pruned to eliminate duplicates Z: 17 19.355 1.905 0.859 0.919 1.000 0.938 CB 0.963 19 residues pruned to eliminate duplicates Z: 21 22.976 1.930 0.881 0.887 0.900 0.700 CB 1.134 21 residues pruned to eliminate duplicates Z: 15 8.398 1.720 0.089 0.895 0.929 0.786 CB 0.925 12 residues pruned to eliminate duplicates Z: 6 2.306 1.422 0.514 0.311 0.600 0.600 CB 0.984 Z: 8 11.075 1.811 0.558 0.836 0.714 0.571 CB 1.554 8 residues pruned to eliminate duplicates Z: 17 18.286 1.917 0.493 0.880 0.875 0.750 CB 1.323 17 residues pruned to eliminate duplicates Z: 23 19.638 1.938 0.582 0.829 0.955 0.909 CB 1.077 23 residues pruned to eliminate duplicates Z: 18 22.519 1.959 0.422 0.915 1.000 0.941 CB 1.385 18 residues pruned to eliminate duplicates Z: 17 18.619 1.825 0.414 0.881 1.000 0.938 CB 1.305 20 residues pruned to eliminate duplicates Z: 18 19.975 1.919 0.481 0.846 0.941 0.824 CB 1.345 15 residues pruned to eliminate duplicates Z: 19 14.194 1.848 0.352 0.934 0.944 0.889 CB 0.989 19 residues pruned to eliminate duplicates Z: 19 20.263 1.955 0.392 0.903 1.000 0.944 CB 1.251 19 residues pruned to eliminate duplicates Z: 8 10.823 1.878 0.264 0.895 1.000 0.857 CB 1.235 8 residues pruned to eliminate duplicates Z: 14 10.393 1.640 0.396 0.830 0.923 0.692 CB 1.025 14 residues pruned to eliminate duplicates Z: 18 27.661 1.864 0.890 0.899 1.000 0.941 CB 1.360 18 residues pruned to eliminate duplicates Z: 16 12.414 1.578 0.338 0.880 1.000 0.733 CB 1.100 16 residues pruned to eliminate duplicates Z: 19 24.411 1.870 0.840 0.944 1.000 0.889 CB 1.158 19 residues pruned to eliminate duplicates Z: 19 30.315 1.999 0.755 0.932 1.000 0.833 CB 1.422 19 residues pruned to eliminate duplicates Z: 7 6.049 1.621 0.414 0.773 0.667 0.667 CB 1.269 7 residues pruned to eliminate duplicates Z: 19 14.719 1.782 0.567 0.905 0.944 0.833 CB 0.937 19 residues pruned to eliminate duplicates Z: 17 12.699 1.801 0.157 0.849 1.000 0.812 CB 1.129 16 residues pruned to eliminate duplicates Z: 11 12.503 1.709 0.721 0.852 1.000 0.900 CB 0.994 8 residues pruned to eliminate duplicates Z: 13 17.890 1.792 0.729 0.883 0.917 0.667 CB 1.315 13 residues pruned to eliminate duplicates Z: 6 3.765 1.423 0.537 0.462 1.000 0.600 N 0.800 Z: 11 6.577 1.649 0.178 0.744 1.000 0.600 CB 0.861 11 residues pruned to eliminate duplicates Z: 19 21.895 1.916 0.462 0.905 1.000 0.889 CB 1.311 19 residues pruned to eliminate duplicates Z: 19 26.898 1.953 0.969 0.877 0.944 0.500 CB 1.267 19 residues pruned to eliminate duplicates Z: 15 23.542 1.957 0.624 0.915 1.000 0.786 CB 1.400 18 residues pruned to eliminate duplicates Z: 6 4.953 1.899 1.207 0.891 1.000 1.000 CB 0.380 Z: 17 17.907 1.714 0.699 0.799 0.875 0.750 CB 1.352 16 residues pruned to eliminate duplicates Z: 13 11.098 1.654 0.284 0.907 1.000 0.917 CB 1.072 13 residues pruned to eliminate duplicates Z: 17 22.942 2.033 0.397 0.904 1.000 1.000 CB 1.439 17 residues pruned to eliminate duplicates Z: 7 4.855 1.820 0.021 0.682 1.000 0.833 CB 0.903 6 residues pruned to eliminate duplicates Z: 14 11.913 1.866 0.607 0.909 1.000 0.923 CB 0.782 14 residues pruned to eliminate duplicates Z: 16 19.278 2.077 0.296 0.884 1.000 0.933 CB 1.336 16 residues pruned to eliminate duplicates Z: 23 15.307 1.797 0.680 0.842 0.909 0.773 CB 0.886 23 residues pruned to eliminate duplicates Z: 15 16.388 1.606 0.673 0.915 1.000 0.786 O 1.152 15 residues pruned to eliminate duplicates Z: 22 17.800 1.886 0.404 0.929 1.000 0.810 CB 1.027 23 residues pruned to eliminate duplicates Z: 31 22.084 1.923 0.885 0.748 0.867 0.667 CB 1.028 31 residues pruned to eliminate duplicates Z: 6 3.165 1.687 0.648 0.801 0.600 0.600 CB 0.652 Z: 16 17.369 1.856 0.632 0.898 1.000 0.800 CB 1.059 16 residues pruned to eliminate duplicates Z: 13 16.557 1.861 0.740 0.807 0.833 0.583 N 1.355 13 residues pruned to eliminate duplicates Z: 16 19.625 1.970 0.717 0.844 0.867 0.733 CB 1.286 15 residues pruned to eliminate duplicates 6 1.977 1.550 0.340 0.336 0.600 0.400 N 0.849 ? Z: 9 4.774 1.610 0.906 0.753 0.750 0.375 CB 0.585 9 residues pruned to eliminate duplicates Z: 25 16.083 1.862 0.574 0.715 0.833 0.625 CB 1.107 25 residues pruned to eliminate duplicates Z: 7 5.345 1.752 0.546 0.604 0.833 0.167 CB 0.875 Z: 19 19.653 1.890 0.515 0.850 1.000 0.722 CB 1.199 19 residues pruned to eliminate duplicates Z: 19 25.981 2.031 0.716 0.833 1.000 0.667 CB 1.318 20 residues pruned to eliminate duplicates Z: 15 18.170 1.917 0.670 0.872 0.857 0.643 CB 1.290 15 residues pruned to eliminate duplicates Z: 20 22.961 1.899 0.934 0.893 0.947 0.684 CB 1.086 20 residues pruned to eliminate duplicates Z: 19 19.597 1.925 0.610 0.842 1.000 0.778 CB 1.111 19 residues pruned to eliminate duplicates Z: 18 18.997 1.773 0.600 0.876 0.941 0.765 CB 1.255 18 residues pruned to eliminate duplicates Z: 25 24.397 1.841 0.651 0.892 1.000 0.875 CB 1.177 24 residues pruned to eliminate duplicates Z: 15 15.641 1.901 0.431 0.815 0.929 0.786 CB 1.259 15 residues pruned to eliminate duplicates Z: 20 24.312 1.963 0.884 0.894 0.947 0.579 CB 1.142 20 residues pruned to eliminate duplicates Z: 14 15.593 1.923 0.428 0.846 0.923 0.769 CB 1.268 14 residues pruned to eliminate duplicates Z: 14 11.439 1.623 0.354 0.865 1.000 0.769 CB 1.058 14 residues pruned to eliminate duplicates Z: 11 12.370 1.724 1.111 0.891 1.000 0.700 CB 0.773 11 residues pruned to eliminate duplicates Z: 6 3.790 1.717 0.202 0.792 1.000 0.400 CB 0.635 6 residues pruned to eliminate duplicates Z: 7 6.660 1.707 0.410 0.596 0.833 0.500 CB 1.237 Z: 17 16.893 1.680 0.676 0.822 0.938 0.625 CB 1.210 16 residues pruned to eliminate duplicates Z: 8 5.772 1.722 1.076 0.550 0.857 0.286 CB 0.678 8 residues pruned to eliminate duplicates Z: 15 19.253 1.872 0.460 0.908 1.000 1.000 CB 1.338 17 residues pruned to eliminate duplicates Z: 10 10.782 1.709 1.165 0.904 1.000 0.444 CB 0.692 11 residues pruned to eliminate duplicates Z: 17 13.684 1.825 0.648 0.866 1.000 0.562 CB 0.833 13 residues pruned to eliminate duplicates Z: 14 18.966 1.913 0.649 0.892 1.000 0.846 CB 1.198 14 residues pruned to eliminate duplicates Z: 17 25.363 1.976 0.642 0.892 1.000 0.938 CB 1.405 18 residues pruned to eliminate duplicates Z: 16 12.757 1.809 0.215 0.830 0.933 0.667 CB 1.208 16 residues pruned to eliminate duplicates Z: 23 16.403 1.713 0.539 0.814 1.000 0.818 CB 1.009 23 residues pruned to eliminate duplicates Z: 22 22.381 1.887 0.557 0.835 1.000 0.667 CB 1.246 22 residues pruned to eliminate duplicates Z: 16 12.246 1.731 0.395 0.877 0.933 0.867 CB 1.019 12 residues pruned to eliminate duplicates Z: 16 15.637 1.786 0.666 0.823 0.867 0.667 CB 1.183 16 residues pruned to eliminate duplicates Z: 16 20.400 1.813 0.596 0.911 1.000 0.867 CB 1.289 14 residues pruned to eliminate duplicates Z: 18 28.702 1.853 0.837 0.830 1.000 0.706 CB 1.538 18 residues pruned to eliminate duplicates Z: 17 15.824 1.787 0.576 0.868 1.000 0.750 CB 1.026 17 residues pruned to eliminate duplicates Z: 19 15.916 1.852 0.664 0.810 1.000 0.778 CB 0.930 19 residues pruned to eliminate duplicates Z: 17 24.235 1.962 0.662 0.908 1.000 1.000 CB 1.320 17 residues pruned to eliminate duplicates Z: 8 3.349 1.637 0.221 0.530 0.857 0.571 CB 0.718 Z: 18 19.421 1.827 0.699 0.908 1.000 0.471 CB 1.078 17 residues pruned to eliminate duplicates Z: 17 13.201 1.815 0.400 0.897 1.000 0.750 CB 0.930 18 residues pruned to eliminate duplicates Z: 18 26.970 1.857 0.778 0.892 1.000 0.882 CB 1.423 18 residues pruned to eliminate duplicates Z: 16 18.145 1.923 0.434 0.900 0.933 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 6 6.028 2.017 0.352 0.870 1.000 1.000 CB 0.722 6 residues pruned to eliminate duplicates Z: 11 9.652 1.637 0.470 0.730 1.000 0.700 CB 1.031 10 residues pruned to eliminate duplicates Z: 16 18.716 1.724 0.770 0.885 0.933 0.733 CB 1.225 17 residues pruned to eliminate duplicates Z: 14 14.561 1.731 0.617 0.885 1.000 0.692 CB 1.042 14 residues pruned to eliminate duplicates Z: 16 18.687 1.814 0.578 0.886 0.867 0.733 CB 1.403 16 residues pruned to eliminate duplicates 9 1.509 1.297 0.540 0.186 0.625 0.500 CB 0.623 ? Z: 21 18.352 1.849 0.383 0.885 0.950 0.850 CB 1.220 21 residues pruned to eliminate duplicates Z: 20 11.964 1.785 0.176 0.809 0.947 0.737 CB 1.054 19 residues pruned to eliminate duplicates Z: 15 16.293 1.768 0.646 0.875 1.000 0.643 CB 1.088 16 residues pruned to eliminate duplicates Z: 16 16.210 1.626 0.438 0.852 1.000 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 12 16.686 1.841 0.979 0.870 0.909 0.636 CB 1.108 12 residues pruned to eliminate duplicates Z: 14 13.107 1.749 0.831 0.924 1.000 0.923 CB 0.797 14 residues pruned to eliminate duplicates Z: 18 23.385 1.919 0.499 0.892 1.000 0.882 CB 1.416 18 residues pruned to eliminate duplicates Z: 10 3.204 1.407 0.119 0.258 0.889 0.333 N 1.007 Z: 11 10.177 1.821 1.032 0.681 0.900 0.500 CB 0.818 11 residues pruned to eliminate duplicates Z: 11 10.916 1.613 0.480 0.842 1.000 0.500 CB 1.077 11 residues pruned to eliminate duplicates Z: 14 10.464 1.845 0.105 0.892 1.000 0.923 CB 1.022 14 residues pruned to eliminate duplicates Z: 8 4.472 1.752 0.258 0.607 0.857 0.714 CB 0.808 Z: 16 18.664 1.789 0.506 0.913 1.000 1.000 CB 1.267 16 residues pruned to eliminate duplicates Z: 21 25.809 2.005 0.705 0.901 1.000 0.900 CB 1.205 21 residues pruned to eliminate duplicates Z: 15 17.987 1.701 0.954 0.894 1.000 0.571 CB 1.038 15 residues pruned to eliminate duplicates Z: 23 19.063 2.029 0.547 0.789 0.818 0.773 CB 1.228 23 residues pruned to eliminate duplicates Z: 17 19.323 1.864 0.378 0.904 1.000 0.875 CB 1.339 17 residues pruned to eliminate duplicates Z: 15 12.418 1.724 0.602 0.821 0.857 0.571 CB 1.061 21 residues pruned to eliminate duplicates Z: 17 20.416 2.109 0.259 0.941 1.000 0.938 CB 1.334 17 residues pruned to eliminate duplicates Z: 6 4.021 1.599 0.005 0.447 0.800 0.600 CB 1.477 Z: 14 15.508 1.757 0.661 0.905 0.923 0.846 CB 1.136 14 residues pruned to eliminate duplicates Z: 16 25.347 1.910 0.660 0.881 1.000 0.933 CB 1.494 16 residues pruned to eliminate duplicates Z: 19 17.678 1.857 0.851 0.877 1.000 0.778 CB 0.881 19 residues pruned to eliminate duplicates Z: 11 13.235 1.692 0.575 0.834 1.000 0.800 CB 1.177 11 residues pruned to eliminate duplicates Z: 19 14.317 1.738 0.412 0.878 1.000 0.833 CB 0.998 20 residues pruned to eliminate duplicates Z: 20 26.415 1.885 0.853 0.900 1.000 0.737 CB 1.239 20 residues pruned to eliminate duplicates Z: 18 13.491 1.827 0.217 0.818 0.941 0.824 CB 1.186 18 residues pruned to eliminate duplicates Z: 11 17.817 1.759 0.863 0.895 1.000 0.900 CB 1.232 12 residues pruned to eliminate duplicates Z: 11 5.647 1.695 0.283 0.333 0.800 0.400 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 3.042 1.740 -0.052 0.334 0.800 0.600 CB 1.237 Z: 18 22.397 1.909 0.647 0.919 1.000 0.824 CB 1.217 18 residues pruned to eliminate duplicates Z: 37 26.702 1.816 0.769 0.837 0.917 0.556 CB 1.131 37 residues pruned to eliminate duplicates Z: 14 14.961 1.738 0.939 0.902 1.000 0.846 CB 0.878 14 residues pruned to eliminate duplicates Z: 17 22.389 2.013 0.655 0.721 0.875 0.625 CB 1.572 17 residues pruned to eliminate duplicates Z: 35 25.783 1.886 0.510 0.648 0.941 0.618 CB 1.437 37 residues pruned to eliminate duplicates Z: 9 3.773 1.378 0.674 0.371 0.750 0.500 CB 0.885 Z: 20 14.714 1.595 0.588 0.856 1.000 0.842 CB 0.983 11 residues pruned to eliminate duplicates Z: 19 12.168 1.780 0.093 0.855 0.944 0.833 CB 1.152 19 residues pruned to eliminate duplicates Z: 16 24.047 2.061 0.417 0.914 1.000 0.933 CB 1.504 16 residues pruned to eliminate duplicates Z: 12 9.354 1.789 0.578 0.844 1.000 0.727 CB 0.743 10 residues pruned to eliminate duplicates Z: 14 5.030 1.718 0.627 0.254 0.692 0.385 CB 0.956 Z: 16 18.088 1.671 0.813 0.859 1.000 0.733 CB 1.134 16 residues pruned to eliminate duplicates Z: 20 16.685 1.823 0.317 0.882 1.000 0.895 CB 1.154 20 residues pruned to eliminate duplicates Z: 13 9.623 1.685 0.521 0.640 0.833 0.667 CB 1.140 13 residues pruned to eliminate duplicates Z: 11 7.856 1.695 0.709 0.768 0.800 0.600 CB 0.845 11 residues pruned to eliminate duplicates Z: 8 9.984 1.779 0.597 0.640 0.857 0.429 CB 1.360 8 residues pruned to eliminate duplicates Z: 10 5.063 1.499 0.047 0.784 1.000 0.778 CB 0.838 Z: 18 16.005 1.781 0.603 0.803 0.882 0.588 CB 1.182 21 residues pruned to eliminate duplicates Z: 16 16.899 1.801 0.431 0.866 0.933 0.800 CB 1.328 16 residues pruned to eliminate duplicates Z: 22 22.327 1.924 0.623 0.835 0.952 0.810 CB 1.227 22 residues pruned to eliminate duplicates Z: 11 13.014 1.642 0.573 0.812 1.000 0.700 CB 1.214 11 residues pruned to eliminate duplicates Z: 18 18.842 1.875 0.895 0.901 1.000 0.765 CB 0.918 19 residues pruned to eliminate duplicates Z: 14 22.075 1.908 0.960 0.874 1.000 0.462 CB 1.191 15 residues pruned to eliminate duplicates Z: 13 5.175 1.506 0.370 0.279 0.917 0.500 CB 1.014 Z: 12 16.533 1.854 0.302 0.894 1.000 1.000 CB 1.481 12 residues pruned to eliminate duplicates Z: 15 20.882 1.988 0.416 0.843 1.000 1.000 CB 1.475 16 residues pruned to eliminate duplicates Z: 20 18.063 1.716 1.004 0.898 0.895 0.737 CB 0.963 16 residues pruned to eliminate duplicates Z: 17 17.707 1.749 0.588 0.792 1.000 0.625 CB 1.234 18 residues pruned to eliminate duplicates Z: 24 14.667 1.786 0.271 0.884 0.957 0.870 CB 1.017 23 residues pruned to eliminate duplicates Z: 22 22.885 1.886 0.472 0.897 1.000 0.857 CB 1.288 22 residues pruned to eliminate duplicates Z: 7 2.853 1.488 0.220 0.313 0.833 0.500 CB 0.947 Z: 15 17.650 1.867 0.551 0.921 1.000 0.857 CB 1.147 15 residues pruned to eliminate duplicates Z: 18 23.993 1.822 0.759 0.872 0.882 0.706 CB 1.499 18 residues pruned to eliminate duplicates Z: 12 9.492 1.729 0.051 0.896 1.000 1.000 CB 1.127 12 residues pruned to eliminate duplicates Z: 18 23.671 1.925 0.713 0.874 1.000 0.824 CB 1.267 18 residues pruned to eliminate duplicates Z: 13 12.490 1.695 0.889 0.833 0.917 0.750 CB 0.922 11 residues pruned to eliminate duplicates Z: 7 7.753 1.634 0.752 0.577 0.833 0.500 N 1.232 Z: 6 3.103 1.601 0.634 0.672 0.400 0.400 CB 1.132 6 residues pruned to eliminate duplicates Z: 15 23.561 1.898 0.686 0.897 1.000 0.643 CB 1.408 15 residues pruned to eliminate duplicates Z: 20 13.970 1.738 0.703 0.746 0.895 0.684 CB 0.971 17 residues pruned to eliminate duplicates Z: 18 16.500 1.941 0.727 0.894 0.941 0.824 CB 0.910 17 residues pruned to eliminate duplicates Z: 17 15.554 1.826 0.796 0.832 0.938 0.688 CB 0.949 17 residues pruned to eliminate duplicates Z: 16 18.375 1.670 0.785 0.901 1.000 0.800 CB 1.136 16 residues pruned to eliminate duplicates Z: 7 3.220 1.898 -0.020 0.854 1.000 1.000 CB 0.522 7 residues pruned to eliminate duplicates 9 1.945 1.891 0.751 0.846 0.875 0.875 CB 0.176 ? Z: 20 16.468 1.699 0.869 0.783 0.947 0.684 CB 0.979 19 residues pruned to eliminate duplicates Z: 6 5.814 1.584 0.410 0.784 1.000 0.800 CB 0.906 5 residues pruned to eliminate duplicates Z: 6 3.472 1.606 0.152 0.522 0.800 0.400 CB 1.027 Z: 7 3.797 1.779 0.320 0.583 0.667 0.667 CB 0.914 Z: 9 3.804 1.533 0.651 0.230 0.750 0.500 CB 0.971 Z: 20 21.449 1.909 0.800 0.892 0.895 0.789 CB 1.150 20 residues pruned to eliminate duplicates Z: 8 5.487 1.626 0.817 0.474 0.857 0.571 CB 0.841 Z: 20 19.081 1.819 0.601 0.905 1.000 0.684 CB 1.070 20 residues pruned to eliminate duplicates Z: 32 19.466 1.870 0.837 0.747 0.935 0.516 CB 0.873 31 residues pruned to eliminate duplicates Z: 17 17.571 1.848 0.727 0.869 0.938 0.875 CB 1.072 17 residues pruned to eliminate duplicates Z: 20 20.934 1.985 0.875 0.902 0.947 0.737 CB 0.972 20 residues pruned to eliminate duplicates Z: 18 24.996 1.982 0.637 0.904 1.000 0.824 CB 1.331 18 residues pruned to eliminate duplicates Z: 18 21.251 1.867 0.744 0.883 1.000 0.706 CB 1.144 19 residues pruned to eliminate duplicates Z: 12 13.333 1.684 0.358 0.903 1.000 0.909 O 1.253 12 residues pruned to eliminate duplicates Z: 7 11.552 1.647 0.755 0.870 1.000 0.833 CB 1.192 7 residues pruned to eliminate duplicates Z: 21 24.623 1.920 1.043 0.888 0.950 0.650 CB 1.064 21 residues pruned to eliminate duplicates Z: 18 21.944 1.805 0.656 0.913 1.000 0.941 CB 1.260 18 residues pruned to eliminate duplicates Z: 10 5.925 1.910 0.499 0.901 1.000 1.000 CB 0.493 Z: 8 5.642 1.650 0.712 0.434 0.714 0.714 CB 1.132 Z: 7 2.623 1.490 0.307 0.392 0.667 0.667 CB 0.925 Z: 12 8.876 1.792 0.315 0.401 0.818 0.455 O 1.541 12 residues pruned to eliminate duplicates Z: 9 8.462 1.796 0.948 0.608 0.875 0.625 CB 0.882 Z: 22 19.215 1.860 0.476 0.746 0.905 0.571 CB 1.355 22 residues pruned to eliminate duplicates Z: 21 14.468 1.735 0.555 0.821 0.850 0.700 CB 1.068 21 residues pruned to eliminate duplicates Z: 12 8.165 1.747 0.579 0.702 0.909 0.727 CB 0.817 12 residues pruned to eliminate duplicates Z: 7 3.535 1.643 0.270 0.441 1.000 0.333 CB 0.735 Z: 7 9.914 1.627 0.777 0.864 0.833 0.833 O 1.231 7 residues pruned to eliminate duplicates Z: 14 9.901 1.806 0.123 0.820 1.000 0.846 CB 1.025 14 residues pruned to eliminate duplicates Z: 11 11.060 1.687 0.556 0.817 1.000 0.600 CB 1.012 11 residues pruned to eliminate duplicates 6 1.302 1.523 -0.298 0.271 0.800 0.200 CB 0.883 ? Z: 14 11.484 1.759 0.522 0.827 0.923 0.692 CB 0.971 14 residues pruned to eliminate duplicates Z: 18 27.267 2.013 0.625 0.901 1.000 0.882 CB 1.443 18 residues pruned to eliminate duplicates Z: 18 12.143 1.946 0.567 0.884 0.882 0.647 CB 0.791 18 residues pruned to eliminate duplicates Z: 17 5.436 1.637 0.580 0.413 0.688 0.438 CB 0.837 Z: 17 14.402 1.816 0.253 0.881 0.938 0.812 CB 1.222 17 residues pruned to eliminate duplicates Z: 6 2.111 1.860 0.685 0.812 0.800 0.800 CB 0.287 6 residues pruned to eliminate duplicates Z: 7 2.184 1.650 0.601 0.176 0.833 0.333 CB 0.600 Z: 26 12.574 1.721 0.610 0.488 0.760 0.520 CB 1.209 26 residues pruned to eliminate duplicates Z: 14 19.872 1.770 0.815 0.917 1.000 1.000 CB 1.210 14 residues pruned to eliminate duplicates Z: 10 3.789 1.507 0.823 0.335 0.667 0.556 CB 0.826 10 residues pruned to eliminate duplicates Z: 13 14.051 1.757 0.747 0.830 1.000 0.417 CB 0.994 13 residues pruned to eliminate duplicates Z: 6 2.078 1.331 0.230 0.308 0.800 0.400 CB 0.878 Z: 10 12.778 1.754 0.896 0.697 1.000 0.667 CB 1.070 6 residues pruned to eliminate duplicates Z: 15 15.769 1.728 0.704 0.880 1.000 0.714 CB 1.038 15 residues pruned to eliminate duplicates Z: 8 4.364 1.872 0.819 0.661 0.714 0.571 CB 0.584 Z: 16 13.414 1.913 0.472 0.913 1.000 1.000 CB 0.870 16 residues pruned to eliminate duplicates Z: 13 18.577 1.817 0.562 0.905 0.917 0.917 CB 1.467 13 residues pruned to eliminate duplicates Z: 17 22.777 1.999 0.908 0.778 0.938 0.875 CB 1.246 17 residues pruned to eliminate duplicates Z: 18 16.622 1.873 0.746 0.826 0.882 0.471 CB 1.054 18 residues pruned to eliminate duplicates Z: 23 15.296 1.888 0.495 0.509 0.818 0.591 CB 1.399 23 residues pruned to eliminate duplicates Z: 18 15.336 1.873 1.040 0.857 1.000 0.588 CB 0.718 18 residues pruned to eliminate duplicates 6 1.334 1.492 0.163 0.323 0.600 0.400 CB 0.697 ? Z: 16 13.740 1.829 0.326 0.857 0.867 0.800 CB 1.244 16 residues pruned to eliminate duplicates Z: 12 19.083 1.804 0.990 0.797 0.909 0.455 CB 1.359 12 residues pruned to eliminate duplicates Z: 11 4.263 1.642 0.637 0.183 0.600 0.200 N 1.223 Z: 12 10.707 1.672 0.592 0.813 0.818 0.455 CB 1.129 12 residues pruned to eliminate duplicates Z: 12 6.095 1.730 0.049 0.486 0.909 0.636 CB 1.130 7 residues pruned to eliminate duplicates Z: 8 6.359 1.769 0.583 0.640 0.714 0.571 CB 1.053 8 residues pruned to eliminate duplicates Z: 10 10.159 1.738 0.167 0.744 1.000 0.778 CB 1.343 10 residues pruned to eliminate duplicates Z: 6 3.101 1.523 0.643 0.423 0.800 0.600 CB 0.751 6 residues pruned to eliminate duplicates Z: 14 17.803 1.774 0.557 0.861 1.000 0.846 CB 1.314 14 residues pruned to eliminate duplicates Z: 18 23.762 1.862 0.595 0.929 1.000 1.000 CB 1.358 18 residues pruned to eliminate duplicates Z: 21 17.307 1.765 0.508 0.766 0.900 0.600 CB 1.276 18 residues pruned to eliminate duplicates Z: 8 3.717 1.449 0.692 0.510 0.714 0.429 CB 0.794 Z: 9 10.447 1.700 0.323 0.877 0.875 0.750 CB 1.362 9 residues pruned to eliminate duplicates Z: 19 16.113 1.801 0.460 0.860 1.000 0.833 CB 1.061 19 residues pruned to eliminate duplicates Z: 17 12.816 1.744 0.078 0.870 1.000 0.688 CB 1.243 17 residues pruned to eliminate duplicates Z: 17 25.686 1.958 0.693 0.909 1.000 0.938 CB 1.375 19 residues pruned to eliminate duplicates Z: 14 18.120 1.850 0.770 0.864 0.846 0.538 CB 1.329 14 residues pruned to eliminate duplicates Z: 6 2.473 1.169 0.573 0.495 0.600 0.600 C 1.007 Using tripeptides from previous cycle as seeds Z: 7 6.779 1.645 0.589 0.866 0.833 0.833 CB 0.930 7 residues pruned to eliminate duplicates Z: 18 11.961 1.773 0.394 0.755 0.941 0.765 CB 0.994 18 residues pruned to eliminate duplicates Z: 6 5.815 1.657 0.707 0.652 0.800 0.800 CB 0.997 6 residues pruned to eliminate duplicates Z: 23 18.868 1.882 0.286 0.913 1.000 0.909 CB 1.177 23 residues pruned to eliminate duplicates Z: 23 25.365 1.915 0.681 0.887 1.000 0.864 CB 1.211 23 residues pruned to eliminate duplicates Z: 17 18.768 1.863 0.592 0.827 1.000 0.750 CB 1.192 17 residues pruned to eliminate duplicates Z: 16 19.055 1.921 0.711 0.843 1.000 0.733 CB 1.115 16 residues pruned to eliminate duplicates Z: 24 26.818 1.899 0.701 0.892 1.000 0.652 CB 1.243 23 residues pruned to eliminate duplicates Z: 22 26.366 1.952 0.692 0.927 0.952 0.810 CB 1.282 22 residues pruned to eliminate duplicates Z: 18 21.774 2.031 0.740 0.843 0.941 0.765 CB 1.182 18 residues pruned to eliminate duplicates Z: 27 22.591 1.921 0.730 0.741 0.923 0.615 CB 1.164 27 residues pruned to eliminate duplicates Z: 22 23.434 1.973 0.799 0.778 1.000 0.619 CB 1.127 22 residues pruned to eliminate duplicates Z: 26 21.868 1.948 0.682 0.781 0.880 0.560 CB 1.184 26 residues pruned to eliminate duplicates Z: 23 28.277 1.975 0.739 0.929 1.000 0.773 CB 1.229 23 residues pruned to eliminate duplicates Z: 23 24.169 2.010 0.755 0.814 0.955 0.682 CB 1.165 23 residues pruned to eliminate duplicates Z: 22 26.484 1.987 0.799 0.885 0.952 0.810 CB 1.226 22 residues pruned to eliminate duplicates Z: 27 22.006 1.984 0.682 0.743 0.923 0.538 CB 1.127 27 residues pruned to eliminate duplicates Z: 22 23.603 1.987 0.754 0.861 0.905 0.714 CB 1.201 22 residues pruned to eliminate duplicates Z: 21 25.480 1.964 0.727 0.928 1.000 0.800 CB 1.177 21 residues pruned to eliminate duplicates Z: 24 24.191 1.931 0.853 0.789 0.957 0.826 CB 1.143 24 residues pruned to eliminate duplicates Z: 24 22.831 1.919 0.759 0.807 0.957 0.522 CB 1.128 24 residues pruned to eliminate duplicates Z: 29 18.315 1.914 0.746 0.776 0.893 0.536 CB 0.909 29 residues pruned to eliminate duplicates Z: 18 14.846 1.848 0.464 0.695 0.824 0.529 CB 1.353 15 residues pruned to eliminate duplicates Z: 16 19.343 1.900 0.493 0.914 1.000 0.867 CB 1.245 16 residues pruned to eliminate duplicates Z: 16 20.062 1.977 0.623 0.875 0.933 0.667 CB 1.257 16 residues pruned to eliminate duplicates Z: 35 24.650 1.965 0.753 0.763 0.912 0.735 CB 1.066 36 residues pruned to eliminate duplicates Z: 17 19.384 1.888 0.727 0.869 1.000 0.750 CB 1.085 17 residues pruned to eliminate duplicates Z: 19 20.190 1.828 0.857 0.791 0.833 0.722 CB 1.303 19 residues pruned to eliminate duplicates Z: 15 19.892 1.947 0.847 0.685 0.929 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 30 24.558 1.951 1.051 0.761 0.793 0.517 CB 1.139 30 residues pruned to eliminate duplicates Z: 20 17.109 1.901 0.676 0.757 0.895 0.737 CB 1.096 20 residues pruned to eliminate duplicates Z: 18 17.678 1.919 0.497 0.797 0.941 0.647 CB 1.223 18 residues pruned to eliminate duplicates Z: 17 20.796 2.025 0.610 0.856 0.938 0.875 CB 1.255 17 residues pruned to eliminate duplicates Z: 35 29.117 1.916 0.877 0.771 0.882 0.559 CB 1.238 35 residues pruned to eliminate duplicates Z: 17 20.317 1.979 0.708 0.851 0.938 0.750 CB 1.186 17 residues pruned to eliminate duplicates Z: 16 22.307 1.979 0.897 0.884 0.933 0.733 CB 1.187 17 residues pruned to eliminate duplicates Z: 18 21.555 1.904 0.633 0.893 1.000 0.824 CB 1.207 16 residues pruned to eliminate duplicates Z: 18 24.320 2.032 0.500 0.893 0.941 0.882 CB 1.476 18 residues pruned to eliminate duplicates Z: 18 15.600 1.984 0.400 0.748 0.882 0.882 CB 1.237 18 residues pruned to eliminate duplicates Z: 18 15.413 1.949 0.531 0.601 0.882 0.647 CB 1.289 18 residues pruned to eliminate duplicates Z: 21 21.661 2.024 0.549 0.786 0.900 0.800 CB 1.335 21 residues pruned to eliminate duplicates Z: 19 20.906 2.090 0.389 0.792 1.000 0.778 CB 1.314 19 residues pruned to eliminate duplicates Z: 15 28.557 2.093 0.701 0.884 1.000 1.000 CB 1.549 15 residues pruned to eliminate duplicates Z: 20 29.009 2.043 0.729 0.829 1.000 0.842 CB 1.418 20 residues pruned to eliminate duplicates Z: 20 24.600 1.927 0.603 0.877 0.947 0.789 CB 1.401 20 residues pruned to eliminate duplicates Z: 19 24.818 2.053 0.693 0.823 0.944 0.778 CB 1.348 19 residues pruned to eliminate duplicates Z: 21 21.755 2.051 0.449 0.773 0.950 0.800 CB 1.354 21 residues pruned to eliminate duplicates Z: 20 20.742 2.079 0.493 0.754 0.947 0.789 CB 1.291 20 residues pruned to eliminate duplicates Z: 20 18.720 2.010 0.530 0.775 0.895 0.684 CB 1.225 20 residues pruned to eliminate duplicates Z: 17 21.659 2.024 0.770 0.859 0.938 0.812 CB 1.187 17 residues pruned to eliminate duplicates Z: 20 25.760 2.075 0.725 0.740 0.947 0.526 CB 1.406 20 residues pruned to eliminate duplicates Z: 19 29.130 2.081 0.808 0.857 0.944 0.722 CB 1.424 19 residues pruned to eliminate duplicates Z: 20 28.220 2.057 1.014 0.804 0.947 0.579 CB 1.265 20 residues pruned to eliminate duplicates Z: 21 25.054 2.012 0.735 0.778 0.950 0.700 CB 1.322 21 residues pruned to eliminate duplicates Z: 35 26.325 1.919 0.590 0.772 0.971 0.676 CB 1.198 33 residues pruned to eliminate duplicates Z: 16 16.424 1.872 0.384 0.807 0.933 0.800 CB 1.342 16 residues pruned to eliminate duplicates Z: 28 24.300 1.949 0.854 0.683 0.926 0.519 CB 1.181 28 residues pruned to eliminate duplicates Z: 16 11.264 1.902 0.604 0.544 0.800 0.467 CB 1.142 16 residues pruned to eliminate duplicates Z: 34 29.750 1.959 0.803 0.734 0.939 0.697 CB 1.265 34 residues pruned to eliminate duplicates Z: 17 23.794 1.946 0.830 0.761 0.938 0.688 CB 1.412 17 residues pruned to eliminate duplicates Z: 18 19.943 1.971 0.697 0.817 0.941 0.588 CB 1.166 18 residues pruned to eliminate duplicates Z: 17 23.755 1.987 0.648 0.833 1.000 0.688 CB 1.360 17 residues pruned to eliminate duplicates Z: 18 21.708 1.974 0.644 0.853 1.000 0.647 CB 1.199 18 residues pruned to eliminate duplicates Z: 16 24.823 1.988 0.721 0.836 1.000 0.667 CB 1.402 16 residues pruned to eliminate duplicates Z: 19 23.872 1.932 0.815 0.816 1.000 0.556 CB 1.219 18 residues pruned to eliminate duplicates Z: 19 21.449 1.928 0.723 0.791 0.944 0.611 CB 1.248 19 residues pruned to eliminate duplicates Z: 17 22.529 1.993 0.730 0.821 1.000 0.625 CB 1.237 17 residues pruned to eliminate duplicates Z: 18 22.092 1.999 0.598 0.857 1.000 0.706 CB 1.236 18 residues pruned to eliminate duplicates Z: 18 25.264 1.992 0.863 0.893 1.000 0.647 CB 1.185 19 residues pruned to eliminate duplicates Z: 23 18.928 1.844 0.512 0.816 1.000 0.773 CB 1.099 23 residues pruned to eliminate duplicates Z: 17 12.167 1.671 0.719 0.572 0.875 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 22 21.579 1.903 0.612 0.858 0.952 0.810 CB 1.187 22 residues pruned to eliminate duplicates Z: 13 14.353 1.817 0.917 0.631 0.833 0.417 CB 1.262 13 residues pruned to eliminate duplicates Z: 18 22.219 2.059 0.641 0.856 1.000 0.824 CB 1.176 18 residues pruned to eliminate duplicates Z: 17 12.102 1.756 0.757 0.538 0.812 0.312 CB 1.162 17 residues pruned to eliminate duplicates Z: 16 24.188 2.123 0.778 0.897 1.000 0.867 CB 1.184 16 residues pruned to eliminate duplicates Z: 20 18.362 2.043 0.623 0.772 0.895 0.684 CB 1.116 20 residues pruned to eliminate duplicates Z: 36 21.486 1.843 0.492 0.758 0.886 0.514 CB 1.185 36 residues pruned to eliminate duplicates Z: 24 20.403 1.941 0.655 0.741 0.870 0.609 CB 1.228 24 residues pruned to eliminate duplicates Z: 18 20.807 2.121 0.730 0.873 0.941 0.765 CB 1.064 18 residues pruned to eliminate duplicates Z: 20 18.336 2.098 0.582 0.764 0.895 0.684 CB 1.120 20 residues pruned to eliminate duplicates Z: 23 21.451 1.974 0.803 0.771 0.909 0.500 CB 1.111 23 residues pruned to eliminate duplicates Z: 12 18.290 2.157 0.832 0.852 1.000 0.364 CB 1.032 12 residues pruned to eliminate duplicates Z: 20 16.133 2.058 0.799 0.735 0.842 0.316 CB 0.961 20 residues pruned to eliminate duplicates Z: 13 15.325 2.124 0.490 0.776 0.917 0.583 CB 1.195 13 residues pruned to eliminate duplicates Z: 9 12.233 2.192 0.697 0.751 0.750 0.500 CB 1.239 9 residues pruned to eliminate duplicates Z: 15 16.187 1.974 0.733 0.688 0.929 0.714 CB 1.146 15 residues pruned to eliminate duplicates Z: 20 18.212 2.026 0.769 0.788 0.895 0.316 CB 1.012 20 residues pruned to eliminate duplicates Z: 27 16.632 1.887 0.825 0.616 0.808 0.500 CB 1.050 27 residues pruned to eliminate duplicates Z: 19 13.208 2.059 0.831 0.697 0.833 0.278 CB 0.828 19 residues pruned to eliminate duplicates Z: 30 19.791 1.954 0.618 0.766 0.966 0.690 CB 0.951 30 residues pruned to eliminate duplicates Z: 32 21.010 1.872 0.622 0.716 0.935 0.516 CB 1.092 32 residues pruned to eliminate duplicates Z: 16 12.115 1.776 0.284 0.783 0.933 0.800 CB 1.146 16 residues pruned to eliminate duplicates Z: 35 24.287 1.938 0.651 0.825 0.912 0.559 CB 1.077 35 residues pruned to eliminate duplicates Z: 11 10.889 1.812 0.241 0.703 0.900 0.600 CB 1.414 11 residues pruned to eliminate duplicates Z: 35 24.758 1.929 0.603 0.804 0.912 0.618 CB 1.155 35 residues pruned to eliminate duplicates Z: 33 23.961 1.986 0.519 0.755 0.906 0.688 CB 1.235 33 residues pruned to eliminate duplicates Z: 11 11.858 1.702 0.678 0.750 0.900 0.800 N 1.167 11 residues pruned to eliminate duplicates Z: 13 13.553 1.840 0.670 0.753 0.750 0.667 CB 1.355 13 residues pruned to eliminate duplicates Z: 38 28.538 1.939 0.779 0.813 0.919 0.649 CB 1.127 38 residues pruned to eliminate duplicates Z: 36 25.186 1.908 0.774 0.730 0.914 0.457 CB 1.119 36 residues pruned to eliminate duplicates Z: 10 10.454 1.781 0.506 0.745 1.000 0.667 CB 1.043 10 residues pruned to eliminate duplicates Z: 15 14.293 1.856 0.688 0.742 0.857 0.571 CB 1.146 15 residues pruned to eliminate duplicates Z: 18 15.153 1.741 0.664 0.783 0.824 0.647 CB 1.201 18 residues pruned to eliminate duplicates Z: 7 7.401 1.765 0.597 0.659 0.833 0.500 CB 1.109 7 residues pruned to eliminate duplicates Z: 37 23.402 1.920 0.904 0.819 0.917 0.500 CB 0.882 37 residues pruned to eliminate duplicates Z: 17 18.961 1.789 0.791 0.863 1.000 0.375 CB 1.086 17 residues pruned to eliminate duplicates Z: 8 10.233 1.740 0.484 0.771 0.857 0.571 N 1.375 8 residues pruned to eliminate duplicates Z: 18 16.226 1.839 0.351 0.786 1.000 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 8 11.591 1.747 0.660 0.645 1.000 0.714 CB 1.319 8 residues pruned to eliminate duplicates Z: 8 6.854 1.607 0.493 0.753 1.000 0.857 CB 0.862 8 residues pruned to eliminate duplicates Z: 18 17.551 1.848 0.507 0.788 0.941 0.706 CB 1.261 18 residues pruned to eliminate duplicates Z: 19 14.629 1.808 0.359 0.766 0.889 0.722 CB 1.248 19 residues pruned to eliminate duplicates Z: 18 16.190 1.854 0.506 0.780 0.941 0.706 CB 1.168 18 residues pruned to eliminate duplicates Z: 16 13.091 1.782 0.519 0.720 0.867 0.467 CB 1.181 16 residues pruned to eliminate duplicates Z: 9 6.606 1.631 0.643 0.450 0.750 0.500 CB 1.224 9 residues pruned to eliminate duplicates Z: 16 11.510 1.863 0.625 0.580 0.800 0.467 CB 1.136 16 residues pruned to eliminate duplicates Z: 29 18.291 1.823 0.562 0.619 0.857 0.607 CB 1.266 50 residues pruned to eliminate duplicates Z: 24 16.598 1.756 0.505 0.756 0.870 0.348 CB 1.199 Z: 21 21.693 1.864 0.707 0.870 1.000 0.850 CB 1.113 24 residues pruned to eliminate duplicates Z: 21 22.247 1.847 0.809 0.833 0.950 0.700 CB 1.175 20 residues pruned to eliminate duplicates Z: 19 20.488 1.799 0.703 0.842 1.000 0.778 CB 1.175 19 residues pruned to eliminate duplicates Z: 21 18.983 1.917 0.597 0.685 1.000 0.600 CB 1.171 21 residues pruned to eliminate duplicates Z: 22 20.168 1.942 0.718 0.791 0.952 0.714 CB 1.073 22 residues pruned to eliminate duplicates Z: 18 20.248 1.985 0.640 0.808 1.000 0.706 CB 1.153 17 residues pruned to eliminate duplicates Z: 23 21.729 1.804 0.654 0.865 1.000 0.818 CB 1.138 22 residues pruned to eliminate duplicates Z: 22 22.116 1.906 0.735 0.824 0.952 0.714 CB 1.157 23 residues pruned to eliminate duplicates Z: 24 19.848 1.909 0.804 0.796 0.957 0.565 CB 0.969 27 residues pruned to eliminate duplicates Z: 24 19.386 1.796 0.843 0.729 0.957 0.652 CB 1.039 24 residues pruned to eliminate duplicates Z: 22 17.606 1.895 0.746 0.728 0.952 0.667 CB 0.993 22 residues pruned to eliminate duplicates Z: 32 18.694 1.814 0.660 0.692 0.871 0.645 CB 1.074 32 residues pruned to eliminate duplicates Z: 27 20.119 1.892 0.781 0.774 0.885 0.654 CB 1.039 27 residues pruned to eliminate duplicates Z: 21 17.747 1.903 0.855 0.720 0.900 0.350 CB 1.023 21 residues pruned to eliminate duplicates Z: 37 24.018 1.831 0.798 0.798 0.889 0.639 CB 1.055 37 residues pruned to eliminate duplicates Z: 10 12.072 1.734 0.854 0.805 1.000 0.778 CB 0.959 10 residues pruned to eliminate duplicates Z: 19 12.305 1.643 0.604 0.827 0.944 0.500 CB 0.878 19 residues pruned to eliminate duplicates Z: 31 25.746 1.889 0.896 0.842 0.967 0.833 CB 1.011 31 residues pruned to eliminate duplicates Z: 31 22.463 1.868 0.776 0.778 0.933 0.633 CB 1.037 31 residues pruned to eliminate duplicates Z: 13 13.835 1.716 0.513 0.736 1.000 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 11 9.119 1.667 0.647 0.755 0.900 0.500 CB 0.930 11 residues pruned to eliminate duplicates Z: 37 23.470 1.804 0.585 0.773 0.972 0.722 CB 1.105 37 residues pruned to eliminate duplicates Z: 24 12.678 1.707 0.602 0.665 0.826 0.522 CB 1.004 24 residues pruned to eliminate duplicates Z: 35 23.913 1.826 0.692 0.748 0.971 0.618 CB 1.096 35 residues pruned to eliminate duplicates Z: 34 23.094 1.853 0.720 0.770 0.939 0.667 CB 1.057 34 residues pruned to eliminate duplicates Z: 13 15.418 1.725 0.588 0.853 1.000 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 19 20.989 1.931 0.564 0.887 0.944 0.833 CB 1.251 19 residues pruned to eliminate duplicates Z: 14 15.201 1.971 0.439 0.760 0.846 0.769 CB 1.394 13 residues pruned to eliminate duplicates Z: 21 25.337 1.942 0.791 0.882 0.950 0.750 CB 1.241 21 residues pruned to eliminate duplicates Z: 17 29.036 2.051 0.793 0.932 1.000 0.875 CB 1.378 17 residues pruned to eliminate duplicates Z: 13 18.284 2.027 0.558 0.756 0.917 0.750 CB 1.452 16 residues pruned to eliminate duplicates Z: 21 28.093 1.960 0.847 0.883 1.000 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 20 22.642 1.986 0.730 0.834 0.947 0.737 CB 1.196 20 residues pruned to eliminate duplicates Z: 20 25.044 2.034 0.915 0.870 0.947 0.842 CB 1.136 19 residues pruned to eliminate duplicates Z: 20 20.813 1.800 0.887 0.885 0.947 0.474 CB 1.071 20 residues pruned to eliminate duplicates Z: 29 24.491 1.970 0.714 0.727 0.893 0.536 CB 1.251 29 residues pruned to eliminate duplicates Z: 18 22.504 1.934 1.007 0.842 0.824 0.294 CB 1.273 18 residues pruned to eliminate duplicates Z: 17 17.321 1.889 1.036 0.738 0.812 0.500 CB 1.119 17 residues pruned to eliminate duplicates Z: 24 24.621 1.922 0.861 0.800 0.957 0.696 CB 1.154 19 residues pruned to eliminate duplicates Z: 19 28.369 1.864 1.190 0.895 1.000 0.278 CB 1.174 19 residues pruned to eliminate duplicates Z: 7 6.432 1.859 1.153 0.691 0.667 0.167 CB 0.826 Z: 22 14.677 1.772 1.110 0.833 0.762 0.333 CB 0.844 29 residues pruned to eliminate duplicates Z: 23 20.570 1.963 1.018 0.830 0.818 0.318 CB 1.018 23 residues pruned to eliminate duplicates Z: 22 23.004 1.996 0.963 0.795 0.905 0.476 CB 1.094 22 residues pruned to eliminate duplicates Z: 17 10.348 1.737 0.695 0.551 0.875 0.562 CB 0.955 8 residues pruned to eliminate duplicates Z: 19 16.121 1.820 0.401 0.805 0.944 0.778 CB 1.209 19 residues pruned to eliminate duplicates Z: 10 8.395 1.873 0.377 0.739 0.778 0.444 N 1.126 10 residues pruned to eliminate duplicates Z: 20 13.947 1.825 0.794 0.642 0.842 0.474 CB 1.016 29 residues pruned to eliminate duplicates Z: 14 18.126 1.929 0.400 0.879 1.000 0.769 CB 1.350 14 residues pruned to eliminate duplicates Z: 15 8.495 1.708 0.448 0.525 0.857 0.571 CB 1.045 15 residues pruned to eliminate duplicates Z: 33 22.165 1.903 0.733 0.745 0.906 0.500 CB 1.053 33 residues pruned to eliminate duplicates Z: 35 23.321 1.917 0.638 0.764 0.941 0.735 CB 1.071 35 residues pruned to eliminate duplicates Z: 23 11.067 1.731 0.608 0.661 0.818 0.545 CB 0.892 23 residues pruned to eliminate duplicates Z: 32 27.394 1.954 0.605 0.835 0.935 0.742 CB 1.256 32 residues pruned to eliminate duplicates Z: 27 14.145 1.812 0.614 0.728 0.846 0.500 CB 0.913 27 residues pruned to eliminate duplicates Z: 21 14.424 1.755 0.685 0.703 0.850 0.550 CB 1.066 21 residues pruned to eliminate duplicates Z: 10 9.271 1.787 0.431 0.635 0.778 0.667 N 1.369 10 residues pruned to eliminate duplicates Z: 15 12.101 1.827 0.384 0.699 0.857 0.429 CB 1.245 15 residues pruned to eliminate duplicates Z: 25 11.559 1.748 0.766 0.551 0.750 0.458 CB 0.970 25 residues pruned to eliminate duplicates Z: 43 24.097 1.914 0.680 0.681 0.881 0.548 CB 1.112 43 residues pruned to eliminate duplicates Z: 33 18.488 1.840 0.568 0.655 0.938 0.656 CB 1.046 29 residues pruned to eliminate duplicates Z: 18 12.952 1.774 0.566 0.770 0.882 0.471 CB 1.008 18 residues pruned to eliminate duplicates Z: 32 15.481 1.857 0.667 0.600 0.806 0.419 CB 1.013 32 residues pruned to eliminate duplicates Z: 9 4.239 1.649 0.409 0.243 0.875 0.250 CB 0.992 9 residues pruned to eliminate duplicates Z: 23 13.689 1.811 0.743 0.513 0.773 0.500 CB 1.181 23 residues pruned to eliminate duplicates Z: 26 10.838 1.776 0.436 0.453 0.800 0.520 CB 1.115 26 residues pruned to eliminate duplicates Z: 18 13.733 1.927 0.402 0.611 0.882 0.588 CB 1.258 18 residues pruned to eliminate duplicates Z: 21 10.776 1.825 0.437 0.430 0.800 0.600 CB 1.235 21 residues pruned to eliminate duplicates Z: 16 8.940 1.799 0.539 0.382 0.733 0.333 CB 1.289 16 residues pruned to eliminate duplicates Z: 15 16.499 1.942 0.540 0.708 0.929 0.714 CB 1.315 15 residues pruned to eliminate duplicates Z: 10 15.608 1.969 0.667 0.737 1.000 0.778 CB 1.281 10 residues pruned to eliminate duplicates Z: 23 12.850 1.757 0.528 0.439 0.818 0.500 CB 1.328 23 residues pruned to eliminate duplicates Z: 11 16.607 1.952 0.751 0.764 0.900 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 40 22.865 1.868 0.449 0.697 0.872 0.667 CB 1.297 40 residues pruned to eliminate duplicates Z: 14 21.378 1.958 0.579 0.923 1.000 0.923 CB 1.347 15 residues pruned to eliminate duplicates Z: 15 23.118 1.944 0.677 0.907 1.000 0.857 CB 1.347 15 residues pruned to eliminate duplicates Z: 14 17.534 1.941 0.651 0.692 0.923 0.462 CB 1.380 14 residues pruned to eliminate duplicates Z: 15 20.984 1.840 0.648 0.891 1.000 0.929 CB 1.330 15 residues pruned to eliminate duplicates Z: 15 22.783 1.981 0.754 0.896 0.929 0.714 CB 1.352 15 residues pruned to eliminate duplicates Z: 17 20.732 1.902 0.701 0.809 0.938 0.750 CB 1.305 17 residues pruned to eliminate duplicates Z: 25 19.848 1.886 0.595 0.607 0.917 0.542 CB 1.328 25 residues pruned to eliminate duplicates Z: 16 20.496 1.920 0.603 0.872 1.000 0.800 CB 1.253 15 residues pruned to eliminate duplicates Z: 16 22.418 1.915 0.655 0.842 1.000 0.600 CB 1.361 16 residues pruned to eliminate duplicates Z: 18 9.430 1.797 0.358 0.917 1.000 0.765 CB 0.662 18 residues pruned to eliminate duplicates Z: 18 12.250 1.852 0.498 0.859 1.000 0.824 CB 0.788 18 residues pruned to eliminate duplicates Z: 10 7.267 1.405 0.531 0.752 1.000 0.556 CB 0.899 10 residues pruned to eliminate duplicates Z: 16 12.721 1.802 0.679 0.867 1.000 0.733 CB 0.794 14 residues pruned to eliminate duplicates Z: 18 12.932 1.806 0.452 0.942 1.000 0.824 CB 0.829 18 residues pruned to eliminate duplicates Z: 10 5.496 1.827 0.464 0.508 0.778 0.556 CB 0.874 10 residues pruned to eliminate duplicates Z: 15 10.694 1.984 0.587 0.752 0.929 0.786 CB 0.781 15 residues pruned to eliminate duplicates Z: 15 16.182 1.890 0.952 0.821 1.000 0.714 CB 0.887 17 residues pruned to eliminate duplicates Z: 15 14.879 1.838 0.844 0.854 1.000 0.714 CB 0.866 15 residues pruned to eliminate duplicates Z: 21 12.092 1.808 0.996 0.628 0.850 0.650 CB 0.782 21 residues pruned to eliminate duplicates Z: 14 13.892 1.941 0.963 0.830 0.846 0.538 CB 0.898 14 residues pruned to eliminate duplicates Z: 16 12.569 1.912 0.837 0.849 0.867 0.667 CB 0.790 16 residues pruned to eliminate duplicates Z: 18 12.082 1.904 0.855 0.688 0.824 0.412 CB 0.848 18 residues pruned to eliminate duplicates Z: 14 8.357 1.841 0.802 0.683 0.846 0.154 CB 0.698 14 residues pruned to eliminate duplicates Z: 18 9.949 1.884 0.856 0.731 0.824 0.529 CB 0.681 18 residues pruned to eliminate duplicates Z: 16 13.204 1.938 1.092 0.751 0.933 0.533 CB 0.721 13 residues pruned to eliminate duplicates Z: 24 14.155 1.868 0.830 0.794 0.870 0.609 CB 0.767 26 residues pruned to eliminate duplicates Z: 36 18.540 1.750 0.494 0.831 0.914 0.829 CB 0.985 36 residues pruned to eliminate duplicates Z: 20 12.559 1.924 0.833 0.723 0.895 0.421 CB 0.747 20 residues pruned to eliminate duplicates Z: 22 9.560 1.873 0.533 0.525 0.762 0.429 CB 0.931 22 residues pruned to eliminate duplicates Z: 13 13.282 1.841 0.566 0.744 1.000 0.667 CB 1.069 13 residues pruned to eliminate duplicates Z: 13 15.321 1.855 0.653 0.760 1.000 0.333 CB 1.146 13 residues pruned to eliminate duplicates Z: 16 12.922 1.724 0.532 0.767 0.933 0.467 CB 1.068 16 residues pruned to eliminate duplicates Z: 16 13.016 1.777 0.537 0.647 0.933 0.333 CB 1.150 16 residues pruned to eliminate duplicates Z: 29 18.101 1.862 0.771 0.752 0.929 0.536 CB 0.892 29 residues pruned to eliminate duplicates Z: 14 11.878 1.788 0.616 0.813 0.846 0.231 CB 1.026 14 residues pruned to eliminate duplicates Z: 14 12.850 1.734 0.610 0.824 0.923 0.538 CB 1.045 14 residues pruned to eliminate duplicates Z: 17 12.527 1.826 0.542 0.687 0.938 0.688 CB 1.000 17 residues pruned to eliminate duplicates Z: 14 11.758 1.768 0.581 0.809 0.923 0.308 CB 0.966 14 residues pruned to eliminate duplicates Z: 7 4.418 1.591 -0.037 0.686 1.000 0.667 CB 0.993 5 residues pruned to eliminate duplicates Z: 19 15.127 1.630 0.792 0.818 0.889 0.556 CB 1.042 19 residues pruned to eliminate duplicates Z: 13 5.487 1.502 0.316 0.562 0.833 0.250 CB 0.905 10 residues pruned to eliminate duplicates Z: 18 14.377 1.660 0.835 0.759 0.882 0.412 CB 1.031 18 residues pruned to eliminate duplicates Z: 13 4.875 1.537 0.521 0.457 0.750 0.250 CB 0.838 13 residues pruned to eliminate duplicates 6 1.801 1.484 0.494 0.115 0.600 0.200 N 0.985 ? Z: 9 7.567 1.677 0.461 0.688 0.875 0.375 CB 1.051 9 residues pruned to eliminate duplicates Z: 9 9.214 1.664 0.488 0.827 0.875 0.500 CB 1.134 9 residues pruned to eliminate duplicates Z: 7 6.882 1.753 0.673 0.568 0.667 0.333 N 1.345 7 residues pruned to eliminate duplicates Z: 13 8.599 1.775 0.208 0.708 0.833 0.500 CB 1.150 14 residues pruned to eliminate duplicates Z: 21 16.928 1.884 0.334 0.935 0.950 0.750 CB 1.104 21 residues pruned to eliminate duplicates Z: 17 10.871 1.907 0.502 0.736 0.938 0.562 CB 0.819 17 residues pruned to eliminate duplicates Z: 19 15.256 1.849 0.695 0.789 0.889 0.611 CB 1.002 19 residues pruned to eliminate duplicates Z: 11 13.023 1.966 0.975 0.833 0.900 0.700 CB 0.884 11 residues pruned to eliminate duplicates Z: 17 12.532 1.849 0.759 0.760 0.875 0.750 CB 0.874 17 residues pruned to eliminate duplicates Z: 16 10.982 1.749 0.797 0.713 0.800 0.600 CB 0.930 16 residues pruned to eliminate duplicates Z: 17 9.375 1.872 0.720 0.589 0.812 0.438 CB 0.823 17 residues pruned to eliminate duplicates Z: 12 7.430 1.825 0.866 0.711 0.909 0.727 CB 0.598 12 residues pruned to eliminate duplicates Z: 14 10.744 1.818 0.697 0.672 0.769 0.308 CB 1.071 14 residues pruned to eliminate duplicates Z: 12 10.845 1.850 1.238 0.836 0.909 0.545 CB 0.650 12 residues pruned to eliminate duplicates Z: 19 18.009 1.983 0.843 0.851 0.889 0.722 CB 0.967 19 residues pruned to eliminate duplicates Z: 18 14.858 1.914 0.910 0.811 0.941 0.529 CB 0.799 18 residues pruned to eliminate duplicates Z: 20 11.956 1.796 0.671 0.734 0.895 0.632 CB 0.828 20 residues pruned to eliminate duplicates Z: 21 18.487 1.926 0.905 0.842 0.900 0.550 CB 0.933 21 residues pruned to eliminate duplicates Z: 17 13.668 1.929 1.041 0.857 0.938 0.750 CB 0.682 17 residues pruned to eliminate duplicates Z: 19 15.516 1.936 0.945 0.878 0.889 0.500 CB 0.793 19 residues pruned to eliminate duplicates Z: 15 12.995 1.979 0.716 0.718 0.857 0.714 CB 0.980 15 residues pruned to eliminate duplicates Z: 27 20.481 1.949 0.741 0.784 0.962 0.846 CB 0.959 37 residues pruned to eliminate duplicates Z: 14 8.233 1.761 0.182 0.741 1.000 0.692 CB 0.884 14 residues pruned to eliminate duplicates Z: 29 20.749 1.873 0.781 0.736 0.929 0.607 CB 1.024 29 residues pruned to eliminate duplicates Z: 31 19.399 1.919 0.758 0.806 0.933 0.633 CB 0.862 31 residues pruned to eliminate duplicates Z: 28 19.344 1.944 0.726 0.778 0.963 0.741 CB 0.901 28 residues pruned to eliminate duplicates Z: 32 17.755 1.884 0.671 0.712 0.935 0.677 CB 0.894 32 residues pruned to eliminate duplicates Z: 14 12.614 1.894 0.412 0.617 0.923 0.538 CB 1.269 14 residues pruned to eliminate duplicates Z: 14 13.124 1.827 0.676 0.747 0.923 0.615 CB 1.033 14 residues pruned to eliminate duplicates Z: 18 18.530 1.794 0.783 0.747 0.882 0.529 CB 1.277 19 residues pruned to eliminate duplicates Z: 20 17.321 1.834 0.682 0.839 0.895 0.737 CB 1.075 18 residues pruned to eliminate duplicates Z: 18 17.928 1.752 0.766 0.895 1.000 0.529 CB 1.007 18 residues pruned to eliminate duplicates Z: 18 17.946 1.790 1.016 0.860 0.882 0.647 CB 1.005 18 residues pruned to eliminate duplicates Z: 29 13.034 1.853 0.609 0.632 0.821 0.571 CB 0.889 29 residues pruned to eliminate duplicates Z: 22 8.621 1.653 0.477 0.398 0.810 0.476 CB 1.060 22 residues pruned to eliminate duplicates Z: 38 17.886 1.803 0.668 0.749 0.892 0.514 CB 0.878 38 residues pruned to eliminate duplicates Z: 32 16.537 1.838 0.767 0.683 0.903 0.548 CB 0.856 32 residues pruned to eliminate duplicates Z: 10 9.845 1.646 0.422 0.716 1.000 0.889 CB 1.152 10 residues pruned to eliminate duplicates Z: 19 15.752 1.752 0.740 0.892 0.889 0.778 CB 0.984 19 residues pruned to eliminate duplicates Z: 17 20.735 1.826 0.914 0.919 1.000 0.938 CB 1.045 17 residues pruned to eliminate duplicates Z: 8 5.873 1.755 0.843 0.844 1.000 0.571 CB 0.511 8 residues pruned to eliminate duplicates Z: 15 6.787 1.533 0.764 0.435 0.857 0.357 CB 0.836 15 residues pruned to eliminate duplicates Z: 12 10.108 1.778 0.903 0.788 1.000 0.727 CB 0.700 12 residues pruned to eliminate duplicates Z: 17 11.536 1.840 0.788 0.714 0.812 0.562 CB 0.889 17 residues pruned to eliminate duplicates Z: 15 9.664 1.797 0.731 0.693 0.857 0.429 CB 0.812 15 residues pruned to eliminate duplicates Z: 19 13.334 1.750 0.778 0.625 0.944 0.389 CB 0.951 19 residues pruned to eliminate duplicates Z: 15 9.652 1.759 1.021 0.727 0.857 0.571 CB 0.690 15 residues pruned to eliminate duplicates Z: 14 11.142 1.900 0.982 0.719 0.769 0.462 CB 0.875 14 residues pruned to eliminate duplicates Z: 19 16.844 1.946 0.803 0.813 0.889 0.444 CB 0.970 19 residues pruned to eliminate duplicates Z: 19 17.569 1.935 0.999 0.874 0.889 0.556 CB 0.876 19 residues pruned to eliminate duplicates Z: 21 15.939 1.963 0.773 0.838 0.950 0.700 CB 0.805 21 residues pruned to eliminate duplicates Z: 19 16.757 1.933 0.939 0.875 0.889 0.722 CB 0.862 19 residues pruned to eliminate duplicates Z: 15 8.859 1.651 0.866 0.581 0.786 0.429 CB 0.904 15 residues pruned to eliminate duplicates Z: 21 15.573 1.889 0.908 0.822 0.850 0.700 CB 0.859 21 residues pruned to eliminate duplicates Z: 22 16.804 1.914 0.843 0.808 0.952 0.476 CB 0.835 22 residues pruned to eliminate duplicates Z: 18 17.887 1.960 0.893 0.821 0.941 0.824 CB 0.940 21 residues pruned to eliminate duplicates Z: 20 23.565 1.903 0.932 0.937 1.000 0.684 CB 1.024 20 residues pruned to eliminate duplicates Z: 20 16.772 1.954 0.805 0.874 0.947 0.684 CB 0.838 20 residues pruned to eliminate duplicates Z: 19 16.617 1.931 0.969 0.870 0.944 0.667 CB 0.796 19 residues pruned to eliminate duplicates Z: 14 12.968 1.923 0.238 0.828 1.000 0.923 CB 1.138 14 residues pruned to eliminate duplicates Z: 27 22.240 1.954 0.633 0.776 0.962 0.654 CB 1.114 27 residues pruned to eliminate duplicates Z: 16 22.347 1.920 0.548 0.826 1.000 0.800 CB 1.465 18 residues pruned to eliminate duplicates Z: 12 12.093 1.926 0.314 0.891 1.000 0.727 CB 1.036 12 residues pruned to eliminate duplicates Z: 29 18.073 1.840 0.826 0.697 0.857 0.464 CB 0.991 29 residues pruned to eliminate duplicates Z: 16 16.175 1.893 0.453 0.800 1.000 0.600 CB 1.168 16 residues pruned to eliminate duplicates Z: 20 15.586 1.927 0.468 0.601 0.895 0.474 CB 1.283 20 residues pruned to eliminate duplicates Z: 31 18.390 1.861 0.690 0.744 0.900 0.600 CB 0.954 28 residues pruned to eliminate duplicates Z: 16 13.854 1.796 0.463 0.829 0.867 0.733 CB 1.182 16 residues pruned to eliminate duplicates Z: 38 23.999 1.870 0.706 0.784 0.919 0.595 CB 1.048 38 residues pruned to eliminate duplicates Z: 16 20.226 1.882 0.497 0.823 1.000 0.667 CB 1.401 16 residues pruned to eliminate duplicates Z: 36 25.236 1.914 0.647 0.812 0.971 0.743 CB 1.061 36 residues pruned to eliminate duplicates Z: 36 23.816 1.891 0.717 0.724 0.943 0.514 CB 1.074 36 residues pruned to eliminate duplicates Z: 16 10.017 1.817 0.382 0.601 0.933 0.533 CB 1.003 16 residues pruned to eliminate duplicates Z: 15 16.681 1.866 0.507 0.789 1.000 0.786 CB 1.230 15 residues pruned to eliminate duplicates Z: 33 21.744 1.889 0.625 0.724 0.875 0.781 CB 1.169 33 residues pruned to eliminate duplicates Z: 37 23.505 1.906 0.644 0.802 0.944 0.667 CB 1.017 37 residues pruned to eliminate duplicates Z: 42 21.713 1.911 0.464 0.749 0.927 0.659 CB 1.048 42 residues pruned to eliminate duplicates Z: 21 22.811 1.954 0.625 0.819 1.000 0.800 CB 1.218 21 residues pruned to eliminate duplicates Z: 20 18.068 1.967 0.614 0.628 0.947 0.579 CB 1.222 20 residues pruned to eliminate duplicates Z: 21 20.775 1.936 0.943 0.611 0.900 0.700 CB 1.235 23 residues pruned to eliminate duplicates Z: 19 20.096 1.878 0.612 0.889 0.944 0.667 CB 1.192 19 residues pruned to eliminate duplicates Z: 23 22.221 1.920 0.603 0.782 0.955 0.727 CB 1.258 23 residues pruned to eliminate duplicates Z: 17 17.022 2.008 0.783 0.658 0.812 0.562 CB 1.264 17 residues pruned to eliminate duplicates Z: 21 18.573 1.895 0.582 0.633 0.950 0.650 CB 1.286 21 residues pruned to eliminate duplicates Z: 22 28.115 1.960 0.896 0.843 1.000 0.714 CB 1.229 22 residues pruned to eliminate duplicates Z: 10 8.582 1.947 0.618 0.480 0.667 0.556 CB 1.390 10 residues pruned to eliminate duplicates Z: 16 23.243 1.921 0.809 0.779 0.933 0.467 CB 1.447 15 residues pruned to eliminate duplicates Z: 17 24.522 1.878 1.077 0.908 1.000 0.625 CB 1.116 17 residues pruned to eliminate duplicates Z: 13 22.428 1.868 1.040 0.753 0.917 0.500 CB 1.478 13 residues pruned to eliminate duplicates Z: 15 21.344 1.853 0.936 0.825 0.857 0.714 CB 1.401 15 residues pruned to eliminate duplicates Z: 15 24.076 1.967 0.942 0.845 0.929 0.429 CB 1.348 15 residues pruned to eliminate duplicates Z: 15 19.309 1.874 0.816 0.838 0.857 0.429 CB 1.322 15 residues pruned to eliminate duplicates Z: 23 22.114 1.914 0.873 0.823 0.864 0.545 CB 1.151 23 residues pruned to eliminate duplicates Z: 10 14.726 1.837 1.161 0.720 0.778 0.444 CB 1.303 10 residues pruned to eliminate duplicates Z: 13 7.346 1.610 0.856 0.332 0.750 0.500 N 1.136 13 residues pruned to eliminate duplicates Z: 15 21.011 1.860 0.843 0.758 0.929 0.643 CB 1.402 15 residues pruned to eliminate duplicates Z: 28 24.939 1.823 0.646 0.711 0.963 0.778 CB 1.371 29 residues pruned to eliminate duplicates Z: 16 17.630 1.845 0.414 0.860 0.933 0.867 CB 1.376 16 residues pruned to eliminate duplicates Z: 19 19.434 1.953 0.515 0.713 0.889 0.722 CB 1.437 40 residues pruned to eliminate duplicates Z: 39 27.862 1.914 0.583 0.746 0.921 0.737 CB 1.300 39 residues pruned to eliminate duplicates Z: 23 15.750 1.849 0.385 0.651 0.955 0.636 CB 1.193 23 residues pruned to eliminate duplicates Z: 21 17.435 1.918 0.363 0.702 0.950 0.650 CB 1.306 21 residues pruned to eliminate duplicates Z: 20 20.321 1.939 0.413 0.736 0.947 0.684 CB 1.453 20 residues pruned to eliminate duplicates Z: 30 21.522 1.896 0.518 0.601 0.931 0.483 CB 1.354 30 residues pruned to eliminate duplicates Z: 23 20.421 1.924 0.425 0.690 0.955 0.545 CB 1.398 23 residues pruned to eliminate duplicates Z: 37 28.425 1.930 0.692 0.756 0.944 0.528 CB 1.223 37 residues pruned to eliminate duplicates Z: 18 19.306 1.966 0.545 0.793 0.941 0.471 CB 1.266 18 residues pruned to eliminate duplicates Z: 37 20.249 1.810 0.755 0.537 0.833 0.472 CB 1.230 37 residues pruned to eliminate duplicates Z: 21 17.006 1.936 0.411 0.662 0.900 0.500 CB 1.331 21 residues pruned to eliminate duplicates Z: 30 14.397 1.863 0.451 0.494 0.793 0.448 CB 1.254 26 residues pruned to eliminate duplicates Z: 16 17.162 1.916 0.433 0.888 0.933 0.533 CB 1.245 16 residues pruned to eliminate duplicates Z: 18 20.139 1.962 0.501 0.806 0.882 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 35 22.544 1.894 0.622 0.689 0.794 0.471 CB 1.333 35 residues pruned to eliminate duplicates Z: 20 18.695 1.928 0.480 0.686 0.895 0.526 CB 1.417 20 residues pruned to eliminate duplicates Z: 24 17.187 1.798 0.546 0.621 0.826 0.522 CB 1.392 24 residues pruned to eliminate duplicates Z: 20 18.737 1.963 0.434 0.748 0.895 0.684 CB 1.367 20 residues pruned to eliminate duplicates Z: 18 14.754 1.864 0.372 0.636 0.882 0.471 CB 1.395 18 residues pruned to eliminate duplicates Z: 34 27.254 1.914 0.439 0.723 0.939 0.606 CB 1.499 34 residues pruned to eliminate duplicates Z: 34 21.139 1.923 0.455 0.636 0.818 0.576 CB 1.415 34 residues pruned to eliminate duplicates Z: 17 14.217 1.713 0.228 0.869 0.938 0.938 CB 1.316 15 residues pruned to eliminate duplicates Z: 10 21.353 1.978 0.596 0.865 1.000 1.000 O 1.651 10 residues pruned to eliminate duplicates Z: 35 25.378 1.910 0.506 0.719 0.882 0.618 CB 1.407 35 residues pruned to eliminate duplicates Z: 10 14.243 1.929 0.378 0.774 1.000 0.222 CB 1.402 10 residues pruned to eliminate duplicates Z: 37 23.323 1.871 0.465 0.677 0.861 0.667 CB 1.400 37 residues pruned to eliminate duplicates Z: 35 23.801 1.855 0.561 0.662 0.882 0.529 CB 1.375 35 residues pruned to eliminate duplicates Z: 35 21.529 1.897 0.472 0.662 0.824 0.500 CB 1.382 35 residues pruned to eliminate duplicates Z: 14 17.563 1.836 0.619 0.741 0.923 0.615 CB 1.431 14 residues pruned to eliminate duplicates Z: 14 17.486 1.849 0.499 0.790 0.923 0.769 CB 1.470 14 residues pruned to eliminate duplicates Z: 13 21.780 1.923 0.564 0.795 1.000 0.750 CB 1.614 16 residues pruned to eliminate duplicates Z: 14 21.215 1.779 0.634 0.876 1.000 0.692 CB 1.471 12 residues pruned to eliminate duplicates Z: 9 10.666 1.602 0.657 0.736 0.875 0.625 CB 1.314 9 residues pruned to eliminate duplicates Z: 15 16.496 1.779 0.535 0.757 1.000 0.714 CB 1.284 15 residues pruned to eliminate duplicates Z: 15 13.883 1.808 0.534 0.681 0.857 0.429 CB 1.321 15 residues pruned to eliminate duplicates Z: 14 7.281 1.667 0.513 0.390 0.769 0.462 CB 1.169 9 residues pruned to eliminate duplicates Z: 14 16.071 1.859 0.478 0.882 1.000 0.846 CB 1.174 14 residues pruned to eliminate duplicates Z: 14 14.454 1.915 0.334 0.889 0.923 0.769 CB 1.224 14 residues pruned to eliminate duplicates Z: 18 11.389 1.739 0.304 0.731 0.941 0.706 CB 1.051 18 residues pruned to eliminate duplicates Z: 14 11.160 1.830 0.303 0.827 0.923 0.846 CB 1.059 14 residues pruned to eliminate duplicates Z: 11 7.484 1.830 0.321 0.659 0.800 0.600 CB 1.056 11 residues pruned to eliminate duplicates Z: 15 11.134 1.681 0.353 0.672 1.000 0.571 CB 1.116 15 residues pruned to eliminate duplicates Z: 12 8.475 1.807 0.518 0.662 0.818 0.636 CB 0.980 12 residues pruned to eliminate duplicates Z: 14 13.767 1.842 0.522 0.788 0.923 0.692 CB 1.145 14 residues pruned to eliminate duplicates Z: 13 7.361 1.738 0.588 0.596 0.833 0.583 CB 0.843 13 residues pruned to eliminate duplicates Z: 13 10.404 1.743 0.647 0.824 1.000 0.667 CB 0.791 13 residues pruned to eliminate duplicates Z: 13 10.472 1.763 0.636 0.748 0.917 0.833 CB 0.916 13 residues pruned to eliminate duplicates Z: 14 11.726 1.750 0.630 0.718 0.923 0.615 CB 1.014 14 residues pruned to eliminate duplicates Z: 11 7.092 1.677 0.740 0.651 0.700 0.400 CB 0.954 11 residues pruned to eliminate duplicates Z: 10 6.711 1.732 0.819 0.688 0.778 0.556 CB 0.769 10 residues pruned to eliminate duplicates Z: 9 9.315 1.656 0.824 0.691 0.875 0.375 CB 1.046 9 residues pruned to eliminate duplicates Z: 11 9.856 1.772 0.832 0.634 0.900 0.500 CB 0.940 11 residues pruned to eliminate duplicates Z: 8 7.830 1.901 0.731 0.788 0.857 0.571 CB 0.815 8 residues pruned to eliminate duplicates Z: 20 14.523 2.007 0.639 0.885 0.947 0.842 CB 0.772 20 residues pruned to eliminate duplicates Z: 18 16.803 1.986 0.640 0.911 1.000 0.824 CB 0.887 18 residues pruned to eliminate duplicates Z: 17 19.559 2.052 0.854 0.920 1.000 0.812 CB 0.905 17 residues pruned to eliminate duplicates Z: 20 17.405 1.947 0.788 0.879 1.000 0.947 CB 0.832 20 residues pruned to eliminate duplicates Z: 21 18.359 1.993 0.917 0.817 1.000 0.800 CB 0.816 21 residues pruned to eliminate duplicates Z: 23 20.973 1.994 1.100 0.795 1.000 0.818 CB 0.825 23 residues pruned to eliminate duplicates Z: 20 12.245 1.914 0.699 0.600 0.842 0.579 CB 0.932 20 residues pruned to eliminate duplicates Z: 25 15.940 1.913 0.860 0.585 0.750 0.500 CB 1.124 25 residues pruned to eliminate duplicates Z: 33 27.022 1.985 0.745 0.732 0.906 0.625 CB 1.236 26 residues pruned to eliminate duplicates Z: 12 17.700 1.962 1.442 0.857 1.000 0.455 CB 0.821 12 residues pruned to eliminate duplicates Z: 31 32.104 2.062 0.849 0.757 0.900 0.633 CB 1.359 34 residues pruned to eliminate duplicates Z: 11 16.475 1.928 1.008 0.730 0.900 0.500 CB 1.215 11 residues pruned to eliminate duplicates Z: 32 27.088 2.045 0.589 0.743 0.903 0.710 CB 1.333 32 residues pruned to eliminate duplicates Z: 33 29.366 2.021 0.821 0.709 0.906 0.625 CB 1.288 33 residues pruned to eliminate duplicates Z: 23 20.128 2.014 0.755 0.601 0.818 0.545 CB 1.348 23 residues pruned to eliminate duplicates Z: 29 34.402 2.109 0.882 0.771 0.893 0.679 CB 1.443 29 residues pruned to eliminate duplicates Z: 29 30.697 2.134 0.790 0.765 0.929 0.714 CB 1.294 29 residues pruned to eliminate duplicates Z: 20 24.540 2.065 1.031 0.596 0.842 0.579 CB 1.454 20 residues pruned to eliminate duplicates Z: 37 27.118 1.954 0.764 0.760 0.917 0.639 CB 1.135 37 residues pruned to eliminate duplicates Z: 32 29.335 2.045 0.841 0.781 0.935 0.677 CB 1.168 32 residues pruned to eliminate duplicates Z: 34 28.305 1.911 0.998 0.730 0.848 0.606 CB 1.236 36 residues pruned to eliminate duplicates Z: 17 26.153 2.095 0.636 0.886 1.000 0.812 CB 1.376 17 residues pruned to eliminate duplicates Z: 21 20.834 2.041 0.780 0.720 0.850 0.500 CB 1.236 21 residues pruned to eliminate duplicates Z: 20 27.238 2.074 0.807 0.765 0.895 0.632 CB 1.473 20 residues pruned to eliminate duplicates Z: 38 38.447 2.046 0.986 0.796 0.946 0.622 CB 1.269 37 residues pruned to eliminate duplicates Z: 18 29.309 2.044 0.836 0.894 1.000 0.529 CB 1.359 18 residues pruned to eliminate duplicates Z: 25 27.175 1.917 0.788 0.741 0.958 0.417 CB 1.360 25 residues pruned to eliminate duplicates Z: 19 28.104 2.069 0.845 0.752 0.944 0.556 CB 1.468 19 residues pruned to eliminate duplicates Z: 31 29.806 2.061 0.985 0.688 0.867 0.667 CB 1.292 31 residues pruned to eliminate duplicates Z: 22 17.900 1.908 0.719 0.707 0.810 0.429 CB 1.219 22 residues pruned to eliminate duplicates Z: 60 30.141 1.946 0.581 0.629 0.932 0.559 CB 1.212 77 residues pruned to eliminate duplicates Z: 19 25.406 2.019 0.805 0.845 0.889 0.667 CB 1.374 19 residues pruned to eliminate duplicates 6 1.139 1.852 -0.257 0.294 1.000 0.800 CB 0.467 ? Z: 8 2.683 1.791 0.046 0.337 0.571 0.286 CB 1.132 Z: 18 11.854 1.848 0.267 0.827 0.882 0.824 CB 1.049 20 residues pruned to eliminate duplicates Z: 6 2.704 1.699 0.031 0.442 0.800 0.200 CB 0.917 6 residues pruned to eliminate duplicates Z: 9 6.422 2.025 0.296 0.406 0.875 0.125 CB 1.091 9 residues pruned to eliminate duplicates Z: 9 5.391 2.017 0.253 0.364 0.875 0.375 CB 0.998 9 residues pruned to eliminate duplicates Z: 10 6.638 1.989 0.434 0.327 0.778 0.333 CB 1.206 10 residues pruned to eliminate duplicates Z: 13 6.689 1.771 0.340 0.418 0.833 0.250 CB 1.063 13 residues pruned to eliminate duplicates Z: 11 5.998 1.928 0.418 0.486 0.800 0.700 CB 0.879 11 residues pruned to eliminate duplicates Z: 23 11.421 1.811 0.322 0.490 0.818 0.364 CB 1.257 23 residues pruned to eliminate duplicates Z: 53 24.558 1.892 0.477 0.552 0.885 0.577 CB 1.309 72 residues pruned to eliminate duplicates Z: 12 22.049 2.011 0.708 0.816 0.909 0.727 CB 1.618 12 residues pruned to eliminate duplicates Z: 14 15.889 1.931 0.608 0.605 0.923 0.462 CB 1.391 14 residues pruned to eliminate duplicates Z: 22 22.545 1.925 0.705 0.724 0.952 0.762 CB 1.286 22 residues pruned to eliminate duplicates Z: 22 17.003 1.789 0.684 0.608 0.857 0.571 CB 1.297 22 residues pruned to eliminate duplicates Z: 21 18.409 1.791 0.755 0.757 0.950 0.650 CB 1.097 21 residues pruned to eliminate duplicates Z: 20 21.137 1.925 0.662 0.772 0.947 0.684 CB 1.257 20 residues pruned to eliminate duplicates Z: 18 24.813 1.880 0.786 0.846 0.941 0.824 CB 1.415 18 residues pruned to eliminate duplicates Z: 36 29.507 1.953 0.617 0.706 0.914 0.657 CB 1.432 36 residues pruned to eliminate duplicates Z: 19 25.481 1.965 0.709 0.801 1.000 0.778 CB 1.375 19 residues pruned to eliminate duplicates Z: 18 22.701 1.968 0.613 0.790 0.941 0.824 CB 1.429 18 residues pruned to eliminate duplicates Z: 37 29.754 2.003 0.667 0.728 0.889 0.639 CB 1.360 37 residues pruned to eliminate duplicates Z: 24 21.812 1.965 0.798 0.625 0.913 0.565 CB 1.254 24 residues pruned to eliminate duplicates Z: 35 29.247 2.025 0.618 0.746 0.941 0.735 CB 1.305 35 residues pruned to eliminate duplicates Z: 37 29.332 2.030 0.543 0.699 0.917 0.556 CB 1.420 37 residues pruned to eliminate duplicates Z: 20 21.150 2.074 0.384 0.738 0.947 0.789 CB 1.441 20 residues pruned to eliminate duplicates Z: 42 29.321 1.962 0.681 0.714 0.878 0.756 CB 1.302 42 residues pruned to eliminate duplicates Z: 37 30.877 2.036 0.655 0.705 0.944 0.639 CB 1.342 37 residues pruned to eliminate duplicates Z: 38 30.178 2.026 0.618 0.734 0.919 0.703 CB 1.334 38 residues pruned to eliminate duplicates Z: 21 21.724 2.039 0.441 0.701 0.950 0.800 CB 1.448 21 residues pruned to eliminate duplicates Z: 35 30.245 2.057 0.643 0.701 0.912 0.647 CB 1.402 35 residues pruned to eliminate duplicates Z: 35 32.744 2.057 0.723 0.723 0.941 0.706 CB 1.376 35 residues pruned to eliminate duplicates Z: 38 30.348 1.991 0.669 0.734 0.919 0.730 CB 1.324 38 residues pruned to eliminate duplicates Z: 22 18.534 2.031 0.479 0.612 0.857 0.714 CB 1.413 22 residues pruned to eliminate duplicates Z: 40 33.923 1.999 0.645 0.767 0.974 0.718 CB 1.337 40 residues pruned to eliminate duplicates Z: 20 18.063 2.015 0.486 0.686 0.842 0.737 CB 1.385 20 residues pruned to eliminate duplicates Z: 36 24.438 1.980 0.480 0.623 0.886 0.600 CB 1.417 36 residues pruned to eliminate duplicates Z: 20 22.400 2.098 0.457 0.769 0.895 0.789 CB 1.481 20 residues pruned to eliminate duplicates Z: 16 24.645 2.002 0.667 0.799 0.867 0.800 CB 1.694 16 residues pruned to eliminate duplicates Z: 36 33.409 2.050 0.704 0.765 0.914 0.829 CB 1.398 36 residues pruned to eliminate duplicates Z: 36 27.558 1.995 0.511 0.718 0.886 0.600 CB 1.433 36 residues pruned to eliminate duplicates Z: 40 31.328 1.989 0.671 0.737 0.923 0.744 CB 1.322 40 residues pruned to eliminate duplicates Z: 40 30.043 2.002 0.623 0.727 0.897 0.615 CB 1.345 40 residues pruned to eliminate duplicates Z: 8 7.496 1.506 0.629 0.515 1.000 0.429 CB 1.137 8 residues pruned to eliminate duplicates Z: 25 18.219 1.777 0.476 0.629 0.958 0.500 CB 1.311 28 residues pruned to eliminate duplicates Z: 17 14.663 1.634 0.644 0.835 0.938 0.500 CB 1.091 17 residues pruned to eliminate duplicates Z: 14 16.564 1.852 0.814 0.710 0.923 0.769 CB 1.225 14 residues pruned to eliminate duplicates Z: 13 14.338 1.742 0.755 0.631 0.917 0.500 CB 1.305 13 residues pruned to eliminate duplicates Z: 14 21.640 1.881 0.834 0.737 1.000 0.692 CB 1.406 14 residues pruned to eliminate duplicates Z: 15 15.871 1.853 0.768 0.676 0.929 0.643 CB 1.186 15 residues pruned to eliminate duplicates Z: 16 15.016 1.716 0.686 0.588 0.933 0.467 N 1.319 16 residues pruned to eliminate duplicates Z: 14 19.507 1.847 0.857 0.726 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 16 11.732 1.736 0.509 0.562 0.933 0.533 CB 1.167 16 residues pruned to eliminate duplicates Z: 22 11.738 1.640 0.716 0.458 0.714 0.524 CB 1.330 22 residues pruned to eliminate duplicates Z: 27 15.076 1.722 0.601 0.605 0.885 0.462 CB 1.097 27 residues pruned to eliminate duplicates Z: 21 12.876 1.703 0.534 0.555 0.900 0.600 CB 1.161 21 residues pruned to eliminate duplicates Z: 28 19.055 1.757 0.592 0.667 0.889 0.556 CB 1.264 28 residues pruned to eliminate duplicates Z: 27 21.016 1.747 0.709 0.710 0.923 0.577 CB 1.236 30 residues pruned to eliminate duplicates Z: 16 14.661 1.696 0.489 0.828 1.000 0.733 CB 1.128 16 residues pruned to eliminate duplicates Z: 11 10.054 1.714 0.289 0.661 1.000 0.800 CB 1.240 11 residues pruned to eliminate duplicates Z: 12 11.471 1.738 0.375 0.748 0.909 0.818 CB 1.276 12 residues pruned to eliminate duplicates Z: 10 10.346 1.676 0.492 0.655 1.000 0.556 CB 1.193 10 residues pruned to eliminate duplicates Z: 29 18.938 1.760 0.505 0.640 0.893 0.536 CB 1.328 29 residues pruned to eliminate duplicates Z: 27 18.275 1.766 0.611 0.672 0.885 0.577 CB 1.215 27 residues pruned to eliminate duplicates Z: 17 12.335 1.712 0.345 0.759 0.875 0.562 CB 1.217 17 residues pruned to eliminate duplicates Z: 32 20.047 1.792 0.448 0.762 0.935 0.613 CB 1.175 32 residues pruned to eliminate duplicates Z: 15 13.399 1.797 0.290 0.836 1.000 0.857 CB 1.156 15 residues pruned to eliminate duplicates Z: 16 13.628 1.776 0.494 0.823 0.867 0.533 CB 1.157 17 residues pruned to eliminate duplicates Z: 16 13.400 1.731 0.781 0.802 0.800 0.533 CB 1.077 15 residues pruned to eliminate duplicates Z: 15 16.315 1.734 0.866 0.894 0.929 0.571 CB 1.041 16 residues pruned to eliminate duplicates Z: 16 13.935 1.757 0.861 0.810 0.867 0.533 CB 0.970 16 residues pruned to eliminate duplicates Z: 7 6.712 1.715 0.634 0.454 0.833 0.667 CB 1.230 4 residues pruned to eliminate duplicates Z: 14 14.774 1.773 0.282 0.838 1.000 0.692 CB 1.348 14 residues pruned to eliminate duplicates Z: 10 6.951 1.629 0.507 0.495 0.778 0.222 N 1.221 10 residues pruned to eliminate duplicates Z: 12 5.475 1.657 0.300 0.483 0.636 0.182 CB 1.225 12 residues pruned to eliminate duplicates Z: 15 16.645 1.824 0.768 0.745 0.929 0.643 CB 1.193 15 residues pruned to eliminate duplicates Z: 10 13.806 1.817 0.635 0.678 1.000 0.667 CB 1.314 10 residues pruned to eliminate duplicates Z: 14 15.390 1.773 0.682 0.771 0.923 0.692 CB 1.220 15 residues pruned to eliminate duplicates Z: 16 14.810 1.757 0.761 0.906 0.933 0.667 CB 0.942 16 residues pruned to eliminate duplicates Z: 15 15.736 1.837 0.609 0.761 0.929 0.714 CB 1.215 15 residues pruned to eliminate duplicates Z: 17 14.282 1.719 0.662 0.700 0.875 0.562 CB 1.190 14 residues pruned to eliminate duplicates Z: 17 14.010 1.743 0.683 0.865 0.875 0.625 CB 1.000 17 residues pruned to eliminate duplicates Z: 17 19.451 1.851 0.601 0.742 0.938 0.625 CB 1.410 19 residues pruned to eliminate duplicates Z: 14 18.250 1.817 0.662 0.843 0.923 0.692 CB 1.352 14 residues pruned to eliminate duplicates Z: 18 14.981 1.830 0.506 0.722 0.882 0.647 CB 1.223 18 residues pruned to eliminate duplicates Z: 15 16.125 1.832 0.565 0.791 0.929 0.714 CB 1.254 15 residues pruned to eliminate duplicates Z: 38 23.625 1.823 0.491 0.753 0.892 0.838 CB 1.278 40 residues pruned to eliminate duplicates Z: 24 23.087 1.885 0.637 0.905 0.957 0.913 CB 1.161 24 residues pruned to eliminate duplicates Z: 22 24.831 1.952 0.697 0.829 0.952 0.952 CB 1.292 22 residues pruned to eliminate duplicates Z: 22 21.414 1.955 0.490 0.775 1.000 0.810 CB 1.258 22 residues pruned to eliminate duplicates Z: 9 5.241 1.548 0.411 0.595 0.750 0.500 CB 1.033 9 residues pruned to eliminate duplicates Z: 20 27.007 2.013 0.754 0.808 1.000 0.737 CB 1.342 20 residues pruned to eliminate duplicates Z: 20 20.356 1.978 0.493 0.781 0.947 0.737 CB 1.303 20 residues pruned to eliminate duplicates Z: 25 19.696 1.876 0.584 0.659 0.917 0.542 CB 1.274 25 residues pruned to eliminate duplicates Z: 18 21.981 2.027 0.571 0.828 1.000 0.824 CB 1.260 18 residues pruned to eliminate duplicates Z: 20 22.219 2.015 0.609 0.794 0.947 0.632 CB 1.282 20 residues pruned to eliminate duplicates Z: 23 21.339 1.932 0.723 0.736 0.955 0.818 CB 1.159 23 residues pruned to eliminate duplicates Z: 24 19.879 1.851 0.746 0.735 0.870 0.652 CB 1.194 24 residues pruned to eliminate duplicates Z: 20 26.765 2.019 0.817 0.819 1.000 0.737 CB 1.269 20 residues pruned to eliminate duplicates Z: 20 26.684 2.026 0.799 0.828 0.947 0.842 CB 1.335 20 residues pruned to eliminate duplicates Z: 18 25.049 2.098 0.828 0.835 0.941 0.941 CB 1.261 18 residues pruned to eliminate duplicates Z: 24 22.469 1.877 0.669 0.733 1.000 0.783 CB 1.213 24 residues pruned to eliminate duplicates Z: 22 28.688 1.984 0.803 0.799 1.000 0.810 CB 1.347 22 residues pruned to eliminate duplicates Z: 18 27.047 2.079 0.753 0.827 1.000 0.824 CB 1.357 18 residues pruned to eliminate duplicates Z: 24 19.085 1.890 0.557 0.734 1.000 0.696 CB 1.096 24 residues pruned to eliminate duplicates Z: 20 23.021 2.039 0.784 0.762 1.000 0.947 CB 1.150 20 residues pruned to eliminate duplicates Z: 34 24.073 1.936 0.671 0.625 0.879 0.636 CB 1.310 34 residues pruned to eliminate duplicates Z: 34 26.331 1.991 0.705 0.754 0.909 0.727 CB 1.184 34 residues pruned to eliminate duplicates Z: 33 26.348 2.025 0.575 0.756 0.906 0.719 CB 1.282 33 residues pruned to eliminate duplicates Z: 41 28.143 1.987 0.534 0.831 0.950 0.700 CB 1.155 41 residues pruned to eliminate duplicates Z: 33 22.645 1.918 0.704 0.660 0.875 0.656 CB 1.206 33 residues pruned to eliminate duplicates Z: 16 13.872 2.027 0.574 0.716 0.733 0.600 CB 1.259 16 residues pruned to eliminate duplicates Z: 35 28.736 2.023 0.663 0.801 0.912 0.735 CB 1.235 35 residues pruned to eliminate duplicates Z: 14 18.477 2.111 0.670 0.703 0.923 0.538 CB 1.309 14 residues pruned to eliminate duplicates Z: 23 14.636 2.005 0.573 0.625 0.727 0.500 CB 1.209 23 residues pruned to eliminate duplicates Z: 15 18.030 1.932 0.884 0.736 0.857 0.500 CB 1.249 15 residues pruned to eliminate duplicates Z: 33 26.798 2.014 0.942 0.773 0.938 0.594 CB 1.015 33 residues pruned to eliminate duplicates Z: 15 17.930 2.052 0.674 0.660 0.857 0.500 CB 1.403 15 residues pruned to eliminate duplicates Z: 20 22.371 1.974 0.723 0.784 1.000 0.737 CB 1.176 20 residues pruned to eliminate duplicates Z: 34 29.039 1.910 0.798 0.761 0.939 0.697 CB 1.243 34 residues pruned to eliminate duplicates Z: 19 21.459 1.941 0.933 0.710 0.889 0.611 CB 1.253 19 residues pruned to eliminate duplicates Z: 37 31.415 1.961 0.819 0.792 0.972 0.694 CB 1.169 37 residues pruned to eliminate duplicates Z: 19 22.737 1.961 1.006 0.727 0.889 0.556 CB 1.249 19 residues pruned to eliminate duplicates Z: 23 24.224 1.937 0.872 0.768 0.955 0.727 CB 1.177 23 residues pruned to eliminate duplicates Z: 41 31.976 1.993 0.820 0.797 0.900 0.650 CB 1.194 41 residues pruned to eliminate duplicates Z: 23 25.565 1.995 0.861 0.762 1.000 0.636 CB 1.164 23 residues pruned to eliminate duplicates Z: 21 17.952 1.962 0.775 0.600 0.850 0.600 CB 1.232 21 residues pruned to eliminate duplicates Z: 21 15.594 1.944 0.505 0.627 0.950 0.750 CB 1.113 21 residues pruned to eliminate duplicates Z: 21 18.886 1.996 0.700 0.685 0.950 0.700 CB 1.106 21 residues pruned to eliminate duplicates Z: 15 15.520 1.741 0.434 0.850 1.000 0.786 CB 1.231 15 residues pruned to eliminate duplicates Z: 12 11.473 1.717 0.470 0.819 0.909 0.636 CB 1.142 12 residues pruned to eliminate duplicates Z: 13 10.838 1.694 0.281 0.882 0.917 0.750 CB 1.138 13 residues pruned to eliminate duplicates Z: 12 12.049 1.756 0.470 0.864 0.909 0.818 CB 1.135 12 residues pruned to eliminate duplicates Z: 12 13.660 1.767 0.557 0.918 1.000 0.909 CB 1.056 12 residues pruned to eliminate duplicates Z: 13 10.301 1.692 0.604 0.816 0.833 0.583 CB 0.999 13 residues pruned to eliminate duplicates Z: 12 11.116 1.698 0.339 0.762 1.000 0.455 CB 1.168 12 residues pruned to eliminate duplicates Z: 17 9.554 1.631 0.316 0.720 0.938 0.625 CB 0.973 17 residues pruned to eliminate duplicates Z: 12 12.405 1.741 0.579 0.831 0.909 0.636 CB 1.125 12 residues pruned to eliminate duplicates Z: 29 16.181 1.739 0.411 0.676 0.857 0.607 CB 1.237 30 residues pruned to eliminate duplicates Z: 12 14.390 1.755 0.690 0.898 1.000 0.818 CB 1.046 12 residues pruned to eliminate duplicates Z: 12 9.251 1.733 0.489 0.839 0.909 0.727 CB 0.887 12 residues pruned to eliminate duplicates Z: 19 12.242 1.732 0.318 0.696 0.889 0.444 CB 1.189 19 residues pruned to eliminate duplicates Z: 18 9.669 1.700 0.347 0.683 0.765 0.471 CB 1.132 18 residues pruned to eliminate duplicates Z: 19 9.158 1.711 0.471 0.650 0.667 0.444 CB 1.119 19 residues pruned to eliminate duplicates Z: 9 5.266 1.728 0.212 0.449 0.750 0.375 CB 1.248 9 residues pruned to eliminate duplicates Z: 7 2.230 1.937 0.050 0.460 0.667 0.333 CB 0.699 7 residues pruned to eliminate duplicates Z: 16 9.047 1.731 0.185 0.585 0.800 0.400 CB 1.313 16 residues pruned to eliminate duplicates Z: 19 11.189 1.773 0.317 0.651 0.833 0.333 CB 1.177 19 residues pruned to eliminate duplicates Z: 21 9.869 1.753 0.391 0.566 0.750 0.300 CB 1.132 21 residues pruned to eliminate duplicates Z: 17 14.005 1.823 0.332 0.757 0.938 0.688 CB 1.224 17 residues pruned to eliminate duplicates Z: 16 8.151 1.841 0.353 0.460 0.800 0.467 CB 1.101 16 residues pruned to eliminate duplicates Z: 16 11.205 1.714 0.469 0.746 0.800 0.467 CB 1.153 15 residues pruned to eliminate duplicates Z: 14 11.630 1.735 0.558 0.741 0.846 0.538 CB 1.136 14 residues pruned to eliminate duplicates Z: 19 12.452 1.743 0.362 0.654 0.889 0.722 CB 1.205 19 residues pruned to eliminate duplicates Z: 13 13.769 1.740 0.585 0.769 1.000 0.417 CB 1.136 13 residues pruned to eliminate duplicates Z: 11 15.546 1.791 0.586 0.900 1.000 0.800 CB 1.236 11 residues pruned to eliminate duplicates Z: 15 11.936 1.630 0.562 0.745 0.929 0.571 CB 1.084 15 residues pruned to eliminate duplicates Z: 15 12.371 1.763 0.480 0.827 0.929 0.643 CB 1.028 15 residues pruned to eliminate duplicates Z: 20 13.527 1.681 0.425 0.670 0.895 0.579 CB 1.238 19 residues pruned to eliminate duplicates Z: 14 14.155 1.740 0.691 0.855 0.846 0.462 CB 1.164 14 residues pruned to eliminate duplicates Z: 12 6.046 1.481 0.421 0.487 0.818 0.545 CB 1.073 Z: 15 11.567 1.670 0.530 0.914 1.000 0.929 CB 0.856 27 residues pruned to eliminate duplicates Z: 10 8.255 1.472 0.648 0.615 1.000 0.667 CB 1.018 10 residues pruned to eliminate duplicates Z: 9 2.374 1.400 0.405 0.425 0.625 0.500 N 0.738 9 residues pruned to eliminate duplicates Z: 10 4.359 1.494 0.512 0.467 0.778 0.556 CB 0.856 10 residues pruned to eliminate duplicates Z: 14 10.426 1.777 0.472 0.826 0.923 0.769 CB 0.904 14 residues pruned to eliminate duplicates Z: 10 8.089 1.580 0.826 0.726 0.889 0.667 CB 0.858 10 residues pruned to eliminate duplicates Z: 14 15.078 1.797 0.867 0.902 1.000 0.846 CB 0.889 14 residues pruned to eliminate duplicates Z: 12 15.258 1.826 0.891 0.914 0.909 0.818 CB 1.037 12 residues pruned to eliminate duplicates Z: 9 8.177 1.740 0.801 0.811 0.875 0.500 CB 0.804 9 residues pruned to eliminate duplicates Z: 14 16.903 1.814 0.963 0.899 1.000 0.769 CB 0.941 14 residues pruned to eliminate duplicates Z: 16 17.576 1.707 0.918 0.882 1.000 0.733 CB 1.003 15 residues pruned to eliminate duplicates Z: 14 17.343 1.799 0.876 0.865 1.000 0.692 CB 1.044 14 residues pruned to eliminate duplicates Z: 14 16.467 1.752 0.901 0.846 1.000 0.692 CB 1.019 14 residues pruned to eliminate duplicates Z: 13 16.981 1.845 0.938 0.874 1.000 0.833 CB 0.998 13 residues pruned to eliminate duplicates Z: 12 8.447 1.682 0.461 0.640 0.909 0.636 CB 1.000 12 residues pruned to eliminate duplicates Z: 16 5.801 1.545 0.527 0.373 0.667 0.333 CB 1.091 16 residues pruned to eliminate duplicates Z: 25 17.276 1.666 0.611 0.673 0.875 0.500 CB 1.280 23 residues pruned to eliminate duplicates Z: 17 17.385 1.578 0.685 0.874 1.000 0.500 N 1.190 17 residues pruned to eliminate duplicates Z: 14 15.203 1.692 0.665 0.690 1.000 0.462 N 1.258 14 residues pruned to eliminate duplicates Z: 13 12.583 1.687 0.888 0.642 0.833 0.500 N 1.199 13 residues pruned to eliminate duplicates Z: 13 10.501 1.684 0.494 0.597 0.833 0.500 CB 1.319 13 residues pruned to eliminate duplicates Z: 12 13.047 1.731 0.699 0.601 0.909 0.636 N 1.336 12 residues pruned to eliminate duplicates Z: 13 12.265 1.722 0.776 0.619 0.833 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 13 11.826 1.680 0.635 0.597 0.833 0.500 CB 1.360 13 residues pruned to eliminate duplicates Z: 13 12.610 1.631 0.497 0.679 1.000 0.583 N 1.265 13 residues pruned to eliminate duplicates Z: 11 13.738 1.774 0.737 0.682 0.800 0.500 O 1.490 11 residues pruned to eliminate duplicates Z: 15 12.468 1.705 0.539 0.730 0.857 0.571 CB 1.205 15 residues pruned to eliminate duplicates Z: 14 19.662 1.685 0.682 0.836 1.000 0.692 CB 1.440 14 residues pruned to eliminate duplicates Z: 13 18.061 1.746 0.636 0.856 0.917 0.833 CB 1.468 13 residues pruned to eliminate duplicates Z: 17 14.332 1.560 0.492 0.739 1.000 0.562 O 1.242 17 residues pruned to eliminate duplicates Z: 17 17.368 1.631 0.525 0.868 1.000 0.750 N 1.276 17 residues pruned to eliminate duplicates Z: 6 2.035 1.207 0.564 0.353 0.600 0.000 O 0.942 6 residues pruned to eliminate duplicates Z: 8 5.016 1.753 0.588 0.368 0.714 0.143 CB 1.099 8 residues pruned to eliminate duplicates Z: 15 21.503 1.930 0.783 0.768 0.929 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 12 17.959 1.867 0.811 0.815 0.909 0.636 CB 1.340 14 residues pruned to eliminate duplicates Z: 22 29.179 1.931 0.753 0.899 1.000 0.810 CB 1.345 22 residues pruned to eliminate duplicates Z: 22 24.122 1.974 0.699 0.860 0.952 0.667 CB 1.212 22 residues pruned to eliminate duplicates Z: 22 23.917 1.950 0.768 0.834 0.952 0.619 CB 1.192 22 residues pruned to eliminate duplicates Z: 20 25.162 1.918 0.721 0.827 0.947 0.684 CB 1.391 20 residues pruned to eliminate duplicates Z: 20 24.724 1.941 0.792 0.831 1.000 0.737 CB 1.225 20 residues pruned to eliminate duplicates Z: 23 21.390 1.871 0.707 0.710 0.864 0.591 CB 1.367 23 residues pruned to eliminate duplicates Z: 23 26.184 2.015 0.721 0.821 1.000 0.682 CB 1.219 23 residues pruned to eliminate duplicates Z: 15 30.121 2.004 1.060 0.916 1.000 1.000 CB 1.377 15 residues pruned to eliminate duplicates Z: 20 23.498 1.976 0.774 0.857 0.895 0.737 CB 1.267 20 residues pruned to eliminate duplicates Z: 17 25.318 2.033 0.926 0.812 0.938 0.688 CB 1.315 17 residues pruned to eliminate duplicates Z: 20 28.455 1.955 0.878 0.867 0.947 0.684 CB 1.373 20 residues pruned to eliminate duplicates Z: 25 26.224 1.942 0.902 0.742 0.958 0.708 CB 1.218 25 residues pruned to eliminate duplicates Z: 25 27.660 1.963 0.988 0.755 0.917 0.667 CB 1.258 25 residues pruned to eliminate duplicates Z: 24 30.405 1.986 0.973 0.770 0.957 0.652 CB 1.332 24 residues pruned to eliminate duplicates Z: 33 23.279 1.944 0.707 0.717 0.844 0.688 CB 1.208 40 residues pruned to eliminate duplicates Z: 22 32.959 1.914 1.018 0.925 1.000 0.952 CB 1.306 22 residues pruned to eliminate duplicates Z: 22 27.663 2.024 0.944 0.857 0.952 0.762 CB 1.187 22 residues pruned to eliminate duplicates Z: 29 26.417 1.989 0.798 0.792 0.857 0.786 CB 1.260 29 residues pruned to eliminate duplicates Z: 31 23.572 1.900 0.717 0.713 0.833 0.633 CB 1.305 31 residues pruned to eliminate duplicates Z: 36 31.891 1.977 0.850 0.790 0.943 0.686 CB 1.212 36 residues pruned to eliminate duplicates Z: 36 33.672 1.928 0.909 0.806 0.886 0.657 CB 1.337 36 residues pruned to eliminate duplicates Z: 35 32.089 1.987 0.860 0.831 0.912 0.824 CB 1.227 35 residues pruned to eliminate duplicates Z: 37 34.148 1.956 0.864 0.787 0.972 0.833 CB 1.248 37 residues pruned to eliminate duplicates Z: 19 27.274 1.858 0.706 0.935 1.000 0.833 CB 1.414 19 residues pruned to eliminate duplicates Z: 23 28.057 1.754 0.799 0.846 0.909 0.727 CB 1.549 23 residues pruned to eliminate duplicates Z: 17 26.599 1.910 0.698 0.906 1.000 0.875 CB 1.459 17 residues pruned to eliminate duplicates Z: 56 25.954 1.832 0.617 0.613 0.891 0.673 CB 1.192 56 residues pruned to eliminate duplicates Z: 42 39.074 1.929 0.883 0.850 0.976 0.780 CB 1.276 41 residues pruned to eliminate duplicates Z: 18 27.430 1.880 0.802 0.910 0.941 0.824 CB 1.480 19 residues pruned to eliminate duplicates Z: 18 24.686 1.811 0.646 0.948 1.000 0.941 CB 1.387 18 residues pruned to eliminate duplicates Z: 21 26.164 1.879 0.645 0.844 0.950 0.600 CB 1.482 20 residues pruned to eliminate duplicates Z: 18 26.805 1.855 0.790 0.931 1.000 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 41 35.025 1.943 0.844 0.813 0.900 0.825 CB 1.308 41 residues pruned to eliminate duplicates Z: 25 23.429 1.829 0.685 0.690 0.917 0.625 CB 1.422 25 residues pruned to eliminate duplicates Z: 8 10.887 1.667 0.628 0.750 0.857 0.857 CB 1.415 8 residues pruned to eliminate duplicates Z: 48 33.949 1.905 0.666 0.760 0.979 0.660 CB 1.265 48 residues pruned to eliminate duplicates Z: 17 5.375 1.588 0.260 0.303 0.938 0.188 CB 0.892 8 residues pruned to eliminate duplicates Z: 21 21.165 1.909 0.624 0.864 1.000 0.900 CB 1.120 21 residues pruned to eliminate duplicates Z: 59 33.516 1.860 0.651 0.718 0.948 0.690 CB 1.241 63 residues pruned to eliminate duplicates Z: 20 20.233 1.966 0.583 0.907 1.000 0.842 CB 1.060 20 residues pruned to eliminate duplicates Z: 13 7.950 1.798 0.774 0.560 1.000 0.667 CB 0.679 13 residues pruned to eliminate duplicates Z: 18 11.619 1.857 0.390 0.721 1.000 0.706 CB 0.894 18 residues pruned to eliminate duplicates Z: 20 8.501 1.731 0.572 0.397 0.842 0.368 CB 0.949 20 residues pruned to eliminate duplicates Z: 20 18.783 1.964 0.624 0.856 1.000 0.579 CB 0.996 20 residues pruned to eliminate duplicates Z: 16 10.717 1.848 0.551 0.604 0.867 0.667 CB 1.009 16 residues pruned to eliminate duplicates Z: 22 18.206 1.989 0.743 0.820 0.905 0.571 CB 0.959 22 residues pruned to eliminate duplicates Z: 24 14.759 1.906 0.578 0.622 0.870 0.696 CB 1.049 24 residues pruned to eliminate duplicates Z: 20 20.943 2.010 0.827 0.852 0.947 0.895 CB 1.022 20 residues pruned to eliminate duplicates Z: 18 17.619 2.027 0.672 0.788 0.882 0.588 CB 1.109 18 residues pruned to eliminate duplicates Z: 22 21.891 2.013 0.864 0.736 0.905 0.619 CB 1.138 22 residues pruned to eliminate duplicates Z: 27 20.370 1.946 0.801 0.699 0.923 0.577 CB 1.030 27 residues pruned to eliminate duplicates Z: 24 16.452 1.918 0.899 0.692 0.870 0.652 CB 0.909 24 residues pruned to eliminate duplicates Z: 26 18.575 1.951 0.757 0.725 0.920 0.640 CB 0.962 26 residues pruned to eliminate duplicates Z: 28 17.727 1.925 0.751 0.695 0.926 0.593 CB 0.915 28 residues pruned to eliminate duplicates Z: 25 18.114 1.836 0.926 0.614 0.833 0.583 CB 1.127 25 residues pruned to eliminate duplicates Z: 20 18.213 2.008 0.953 0.834 0.895 0.684 CB 0.893 20 residues pruned to eliminate duplicates Z: 23 16.432 1.996 0.686 0.740 0.909 0.591 CB 0.924 23 residues pruned to eliminate duplicates Z: 24 14.367 1.971 0.624 0.770 0.913 0.783 CB 0.807 24 residues pruned to eliminate duplicates Z: 34 19.238 1.908 0.579 0.764 0.879 0.606 CB 1.000 35 residues pruned to eliminate duplicates Z: 18 15.290 1.666 0.357 0.863 1.000 0.882 O 1.204 12 residues pruned to eliminate duplicates Z: 10 10.569 1.800 0.477 0.867 1.000 0.667 CB 0.970 10 residues pruned to eliminate duplicates Z: 33 23.793 1.943 0.738 0.832 0.969 0.719 CB 0.965 33 residues pruned to eliminate duplicates Z: 36 18.260 1.873 0.602 0.638 0.914 0.657 CB 0.989 36 residues pruned to eliminate duplicates Z: 11 7.551 1.763 0.407 0.579 0.800 0.600 CB 1.115 11 residues pruned to eliminate duplicates Z: 33 22.677 1.916 0.833 0.777 0.906 0.719 CB 0.986 33 residues pruned to eliminate duplicates Z: 34 22.855 1.955 0.773 0.763 0.909 0.545 CB 1.000 34 residues pruned to eliminate duplicates Z: 7 6.193 1.806 0.595 0.731 0.667 0.000 CB 1.069 7 residues pruned to eliminate duplicates Z: 35 17.212 1.877 0.713 0.691 0.824 0.500 CB 0.936 35 residues pruned to eliminate duplicates Z: 16 7.182 1.785 0.394 0.506 0.667 0.467 CB 1.110 16 residues pruned to eliminate duplicates Z: 30 15.366 1.795 0.721 0.566 0.828 0.379 CB 1.047 30 residues pruned to eliminate duplicates Z: 35 17.917 1.840 0.688 0.608 0.853 0.559 CB 1.047 35 residues pruned to eliminate duplicates Z: 13 7.275 1.642 0.379 0.414 0.833 0.500 CB 1.217 13 residues pruned to eliminate duplicates Z: 36 19.249 1.885 0.667 0.696 0.857 0.457 CB 1.010 36 residues pruned to eliminate duplicates Z: 7 2.995 1.505 0.284 0.423 0.833 0.667 CB 0.823 Z: 7 3.698 1.255 0.928 0.524 0.667 0.333 N 0.914 7 residues pruned to eliminate duplicates Z: 23 12.856 1.853 0.209 0.548 0.909 0.500 CB 1.285 30 residues pruned to eliminate duplicates Z: 17 20.227 2.013 0.343 0.741 1.000 0.812 CB 1.507 17 residues pruned to eliminate duplicates Z: 56 23.942 1.940 0.451 0.640 0.873 0.582 CB 1.153 57 residues pruned to eliminate duplicates Z: 19 26.023 1.941 0.695 0.899 0.944 0.833 CB 1.410 19 residues pruned to eliminate duplicates Z: 14 19.360 2.035 0.590 0.686 0.923 0.846 CB 1.517 14 residues pruned to eliminate duplicates Z: 16 17.358 2.001 0.451 0.704 0.867 0.733 N 1.479 16 residues pruned to eliminate duplicates Z: 17 25.105 2.087 0.575 0.734 1.000 0.875 CB 1.548 17 residues pruned to eliminate duplicates Z: 15 21.342 1.994 0.592 0.717 1.000 0.786 N 1.477 15 residues pruned to eliminate duplicates Z: 18 14.597 1.902 0.605 0.582 0.824 0.529 CB 1.302 18 residues pruned to eliminate duplicates Z: 18 25.329 2.037 0.640 0.697 0.941 0.706 CB 1.633 18 residues pruned to eliminate duplicates Z: 13 20.868 2.152 0.575 0.738 0.917 0.667 N 1.566 13 residues pruned to eliminate duplicates Z: 18 22.755 1.986 0.565 0.730 1.000 0.706 CB 1.445 18 residues pruned to eliminate duplicates Z: 20 20.316 2.013 0.489 0.626 0.947 0.684 CB 1.458 20 residues pruned to eliminate duplicates Z: 19 20.285 1.988 0.626 0.642 0.889 0.444 CB 1.457 19 residues pruned to eliminate duplicates Z: 25 18.841 1.850 0.620 0.531 0.875 0.500 CB 1.422 25 residues pruned to eliminate duplicates Z: 20 22.646 1.975 0.650 0.630 0.947 0.632 CB 1.489 20 residues pruned to eliminate duplicates Z: 26 16.684 1.856 0.538 0.560 0.880 0.560 CB 1.253 26 residues pruned to eliminate duplicates Z: 19 23.813 2.025 0.715 0.674 0.944 0.722 CB 1.457 19 residues pruned to eliminate duplicates Z: 7 2.690 1.676 0.400 0.158 0.667 0.500 CB 1.067 7 residues pruned to eliminate duplicates Z: 14 10.633 1.823 0.009 0.746 1.000 0.923 CB 1.287 14 residues pruned to eliminate duplicates Z: 18 11.456 1.719 0.176 0.675 0.941 0.647 CB 1.242 18 residues pruned to eliminate duplicates Z: 51 28.503 1.921 0.418 0.667 0.960 0.660 CB 1.321 51 residues pruned to eliminate duplicates Z: 19 9.983 1.690 0.115 0.677 0.889 0.611 CB 1.193 19 residues pruned to eliminate duplicates Z: 18 16.210 1.837 0.429 0.740 1.000 0.588 CB 1.208 18 residues pruned to eliminate duplicates Z: 17 11.191 1.822 0.200 0.647 1.000 0.500 CB 1.115 17 residues pruned to eliminate duplicates Z: 22 10.622 1.836 0.176 0.610 0.857 0.571 CB 1.129 22 residues pruned to eliminate duplicates Z: 20 13.434 1.795 0.257 0.700 1.000 0.737 CB 1.139 20 residues pruned to eliminate duplicates Z: 20 14.557 1.728 0.347 0.751 0.895 0.789 CB 1.281 20 residues pruned to eliminate duplicates Z: 42 21.118 1.817 0.309 0.640 0.902 0.512 CB 1.347 42 residues pruned to eliminate duplicates Z: 37 27.284 1.945 0.477 0.740 0.972 0.639 CB 1.313 37 residues pruned to eliminate duplicates Z: 20 17.826 1.829 0.605 0.696 0.947 0.579 CB 1.230 20 residues pruned to eliminate duplicates Z: 36 26.573 1.921 0.625 0.699 0.886 0.714 CB 1.355 38 residues pruned to eliminate duplicates Z: 18 14.669 1.790 0.379 0.812 0.941 0.529 CB 1.167 18 residues pruned to eliminate duplicates Z: 38 27.908 1.927 0.597 0.700 0.973 0.622 CB 1.277 36 residues pruned to eliminate duplicates Z: 19 16.867 1.833 0.358 0.754 1.000 0.611 CB 1.273 19 residues pruned to eliminate duplicates Z: 23 15.218 1.850 0.439 0.640 0.864 0.636 CB 1.237 23 residues pruned to eliminate duplicates Z: 37 25.489 1.943 0.477 0.697 0.944 0.694 CB 1.309 37 residues pruned to eliminate duplicates Z: 35 25.380 1.933 0.564 0.679 0.971 0.559 CB 1.258 35 residues pruned to eliminate duplicates Z: 38 26.965 1.951 0.550 0.718 0.919 0.595 CB 1.309 38 residues pruned to eliminate duplicates Z: 18 21.756 2.081 0.550 0.791 0.882 0.824 CB 1.436 18 residues pruned to eliminate duplicates Z: 48 34.541 1.984 0.625 0.711 0.957 0.638 CB 1.348 48 residues pruned to eliminate duplicates Z: 17 20.251 1.992 0.623 0.776 1.000 0.688 CB 1.228 17 residues pruned to eliminate duplicates Z: 54 31.258 1.931 0.667 0.658 0.887 0.528 CB 1.299 54 residues pruned to eliminate duplicates Z: 36 22.024 1.888 0.425 0.658 0.886 0.571 CB 1.350 36 residues pruned to eliminate duplicates Z: 15 26.501 2.035 0.692 0.937 1.000 0.929 CB 1.432 15 residues pruned to eliminate duplicates Z: 46 30.054 1.902 0.516 0.639 0.933 0.622 CB 1.461 46 residues pruned to eliminate duplicates Z: 32 26.787 1.939 0.552 0.701 0.903 0.645 CB 1.474 32 residues pruned to eliminate duplicates Z: 50 26.388 1.860 0.716 0.576 0.878 0.571 CB 1.251 50 residues pruned to eliminate duplicates Z: 39 27.118 1.926 0.580 0.713 0.921 0.763 CB 1.294 39 residues pruned to eliminate duplicates Z: 36 25.797 1.932 0.555 0.730 0.886 0.686 CB 1.331 36 residues pruned to eliminate duplicates Z: 18 29.614 1.863 0.833 0.896 1.000 0.941 CB 1.507 16 residues pruned to eliminate duplicates Z: 16 30.578 1.935 0.836 0.900 1.000 1.000 N 1.588 16 residues pruned to eliminate duplicates Z: 23 19.072 1.935 0.406 0.721 0.909 0.773 CB 1.347 23 residues pruned to eliminate duplicates Z: 38 24.799 1.936 0.518 0.737 0.892 0.676 CB 1.258 38 residues pruned to eliminate duplicates Z: 22 22.473 2.042 0.576 0.732 0.857 0.714 CB 1.443 22 residues pruned to eliminate duplicates 784 residues left after pruning, divided into chains as follows: A: 43 B: 38 C: 39 D: 40 E: 65 F: 33 G: 42 H: 36 I: 57 J: 17 K: 35 L: 126 M: 36 N: 35 O: 142 CC for partial structure against native data = 40.41 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.648, Connect. = 0.718 for dens.mod. cycle 1 = 0.302, Contrast = 0.733, Connect. = 0.745 for dens.mod. cycle 2 = 0.302, Contrast = 0.875, Connect. = 0.773 for dens.mod. cycle 3 = 0.302, Contrast = 0.884, Connect. = 0.772 for dens.mod. cycle 4 = 0.302, Contrast = 0.894, Connect. = 0.773 for dens.mod. cycle 5 = 0.302, Contrast = 0.893, Connect. = 0.773 for dens.mod. cycle 6 = 0.302, Contrast = 0.893, Connect. = 0.774 for dens.mod. cycle 7 = 0.302, Contrast = 0.891, Connect. = 0.774 for dens.mod. cycle 8 = 0.302, Contrast = 0.890, Connect. = 0.775 for dens.mod. cycle 9 = 0.302, Contrast = 0.887, Connect. = 0.775 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.53 - 4.38 - 3.82 - 3.46 - 3.21 - 3.02 - 2.87 - 2.74 - 2.64 - 2.55 0.775 0.755 0.784 0.762 0.695 0.639 0.605 0.565 0.504 0.466 0.907 0.868 0.888 0.879 0.820 0.754 0.719 0.667 0.597 0.543 N 4780 4771 4793 4883 4806 4810 4691 5018 4494 4669 Estimated mean FOM = 0.656 Pseudo-free CC = 68.08 % Best trace (cycle 2 with CC 43.03%) was saved as ./2hr2-2.5-parrot-noncs/2hr2-2.5-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.4 - Setup, data input and phasing 5.9 - FFTs and peak-searches 13.7 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 665.8 - Tripeptide search 6439.9 - Chain tracing 0.0 - NCS analysis 67.3 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 00:45:05 Total time: 7193.78 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 120.66 Used memory is bytes: 27177200