null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:07:04 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./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 ?? ** = 0.300, Contrast = 0.411, Connect. = 0.649 for dens.mod. cycle 1 = 0.300, Contrast = 0.555, Connect. = 0.693 for dens.mod. cycle 2 = 0.300, Contrast = 0.737, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.796, Connect. = 0.743 for dens.mod. cycle 4 = 0.300, Contrast = 0.822, Connect. = 0.752 for dens.mod. cycle 5 = 0.300, Contrast = 0.841, Connect. = 0.758 for dens.mod. cycle 6 = 0.300, Contrast = 0.850, Connect. = 0.762 for dens.mod. cycle 7 = 0.300, Contrast = 0.859, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.863, Connect. = 0.767 for dens.mod. cycle 9 = 0.300, Contrast = 0.867, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2906 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 761 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 20.259 1.912 0.854 0.906 0.895 0.789 CB 1.042 B: 23 23.060 1.839 0.774 0.895 0.864 0.682 CB 1.251 C: 14 23.532 1.872 0.691 0.912 1.000 1.000 CB 1.461 D: 20 31.202 1.886 0.768 0.914 1.000 0.842 CB 1.518 E: 19 24.067 1.855 0.978 0.916 0.944 0.722 CB 1.157 F: 14 13.877 1.813 0.638 0.802 0.923 0.769 CB 1.079 G: 14 17.353 1.616 0.890 0.907 0.923 0.769 O 1.213 H: 11 16.596 1.838 0.583 0.907 0.900 0.800 CB 1.425 11 residues pruned to eliminate duplicates I: 22 25.415 1.866 0.795 0.906 1.000 0.524 CB 1.178 J: 18 26.173 1.852 0.846 0.902 1.000 0.824 CB 1.325 K: 20 24.167 1.895 0.890 0.920 0.947 0.842 CB 1.151 L: 23 21.678 1.728 1.089 0.924 0.955 0.773 CB 0.942 M: 21 23.140 1.822 0.784 0.924 0.950 0.650 CB 1.177 21 residues pruned to eliminate duplicates N: 19 27.724 1.848 1.184 0.924 0.944 0.778 CB 1.204 18 residues pruned to eliminate duplicates O: 15 24.066 1.893 1.004 0.886 1.000 0.786 CB 1.224 P: 21 29.532 1.875 0.687 0.921 0.950 0.800 CB 1.546 20 residues pruned to eliminate duplicates Q: 19 20.123 1.851 0.980 0.899 0.944 0.722 CB 0.980 R: 13 17.368 1.848 0.767 0.909 1.000 0.833 CB 1.089 S: 20 21.453 1.865 1.185 0.927 1.000 0.947 CB 0.846 T: 17 24.049 1.819 1.116 0.912 1.000 0.812 CB 1.106 16 residues pruned to eliminate duplicates U: 17 28.857 1.767 0.965 0.883 1.000 0.875 CB 1.502 V: 20 23.396 1.793 0.998 0.893 0.947 0.526 CB 1.136 20 residues pruned to eliminate duplicates W: 19 20.468 1.890 0.725 0.907 0.944 0.833 CB 1.113 19 residues pruned to eliminate duplicates X: 21 21.967 1.804 1.083 0.823 1.000 0.550 CB 0.988 19 residues pruned to eliminate duplicates Y: 11 16.091 1.736 0.563 0.874 1.000 0.900 O 1.364 11 residues pruned to eliminate duplicates Z: 22 23.060 1.830 0.801 0.914 1.000 0.857 CB 1.081 22 residues pruned to eliminate duplicates Z: 12 13.535 1.736 0.711 0.826 0.818 0.727 CB 1.266 Z: 19 28.186 1.810 0.807 0.927 1.000 0.944 CB 1.424 14 residues pruned to eliminate duplicates Z: 22 27.973 1.845 0.925 0.927 1.000 0.857 CB 1.205 20 residues pruned to eliminate duplicates Z: 17 29.057 2.004 0.817 0.911 1.000 0.875 CB 1.413 Z: 18 20.218 1.742 0.739 0.885 0.941 0.765 CB 1.242 Z: 18 20.406 1.661 0.783 0.834 1.000 0.706 CB 1.253 Z: 18 17.325 1.816 0.566 0.898 0.941 0.941 CB 1.123 18 residues pruned to eliminate duplicates Z: 15 13.772 1.662 0.936 0.700 0.786 0.500 CB 1.212 Z: 19 16.669 1.780 0.615 0.821 0.778 0.500 CB 1.330 Z: 24 23.124 1.772 0.752 0.917 0.913 0.435 CB 1.201 24 residues pruned to eliminate duplicates Z: 6 10.977 1.929 0.405 0.836 1.000 0.800 CB 1.356 5 residues pruned to eliminate duplicates Z: 21 28.518 1.833 0.768 0.898 1.000 0.900 CB 1.408 21 residues pruned to eliminate duplicates Z: 18 25.201 1.813 0.714 0.935 1.000 1.000 CB 1.370 19 residues pruned to eliminate duplicates Z: 19 19.149 1.855 1.087 0.927 0.889 0.778 CB 0.919 19 residues pruned to eliminate duplicates Z: 20 26.997 1.759 0.875 0.914 1.000 0.842 CB 1.328 20 residues pruned to eliminate duplicates Z: 16 18.012 1.851 0.957 0.928 0.933 0.733 CB 0.963 16 residues pruned to eliminate duplicates Z: 15 11.218 1.631 0.596 0.827 1.000 0.714 CB 0.867 Z: 22 22.105 1.726 1.086 0.929 0.952 0.810 CB 0.984 22 residues pruned to eliminate duplicates Z: 20 26.063 1.846 0.833 0.898 0.947 0.737 CB 1.334 18 residues pruned to eliminate duplicates Z: 23 23.472 1.766 0.949 0.918 0.955 0.773 CB 1.074 12 residues pruned to eliminate duplicates Z: 20 24.925 1.721 0.681 0.912 1.000 0.895 CB 1.400 20 residues pruned to eliminate duplicates Z: 19 28.443 1.925 0.833 0.877 1.000 0.889 CB 1.379 17 residues pruned to eliminate duplicates Z: 17 14.767 1.826 0.555 0.899 0.938 0.625 CB 0.991 17 residues pruned to eliminate duplicates Z: 20 24.814 1.813 0.809 0.936 1.000 0.947 CB 1.209 18 residues pruned to eliminate duplicates Z: 17 16.724 1.699 0.643 0.896 1.000 0.938 CB 1.073 15 residues pruned to eliminate duplicates Z: 18 28.242 2.000 0.734 0.923 1.000 0.824 CB 1.388 18 residues pruned to eliminate duplicates Z: 21 30.763 1.853 0.838 0.901 1.000 0.750 CB 1.442 21 residues pruned to eliminate duplicates Z: 21 19.785 1.784 0.764 0.891 0.850 0.750 CB 1.188 15 residues pruned to eliminate duplicates Z: 12 22.390 1.859 0.700 0.855 1.000 0.818 O 1.576 12 residues pruned to eliminate duplicates Z: 22 22.533 1.855 0.787 0.867 0.905 0.810 CB 1.200 22 residues pruned to eliminate duplicates Z: 17 21.497 1.716 0.574 0.901 1.000 0.938 CB 1.420 18 residues pruned to eliminate duplicates Z: 12 16.812 1.769 0.641 0.830 0.909 0.818 CB 1.444 11 residues pruned to eliminate duplicates Z: 20 27.638 1.841 0.804 0.895 1.000 0.789 CB 1.368 20 residues pruned to eliminate duplicates Z: 8 7.958 1.856 0.279 0.851 1.000 0.857 CB 0.938 8 residues pruned to eliminate duplicates Z: 22 26.825 1.811 0.886 0.917 0.952 0.762 CB 1.270 Z: 16 20.841 1.758 0.501 0.913 1.000 0.933 CB 1.443 Z: 18 28.028 1.833 0.793 0.912 1.000 0.882 CB 1.465 18 residues pruned to eliminate duplicates Z: 18 18.045 1.681 1.093 0.875 0.824 0.647 CB 1.098 Z: 11 11.693 1.774 0.689 0.829 0.800 0.600 CB 1.161 11 residues pruned to eliminate duplicates Z: 18 26.413 1.827 0.766 0.900 1.000 0.882 CB 1.419 Z: 18 25.197 1.817 0.769 0.899 1.000 0.941 CB 1.359 18 residues pruned to eliminate duplicates Z: 14 20.468 1.681 0.910 0.899 1.000 0.846 CB 1.263 Z: 19 23.262 1.815 0.758 0.895 1.000 0.778 CB 1.232 19 residues pruned to eliminate duplicates Z: 18 19.915 1.738 0.644 0.862 0.941 0.765 CB 1.319 18 residues pruned to eliminate duplicates Z: 21 22.200 1.795 1.078 0.935 0.950 0.600 CB 0.976 21 residues pruned to eliminate duplicates Z: 26 21.155 1.686 0.780 0.824 0.880 0.640 CB 1.210 25 residues pruned to eliminate duplicates Z: 21 24.644 1.769 0.786 0.910 1.000 0.950 CB 1.237 20 residues pruned to eliminate duplicates Z: 17 18.757 1.656 0.800 0.903 1.000 0.938 CB 1.121 Z: 19 19.869 1.778 0.768 0.883 0.944 0.722 CB 1.141 19 residues pruned to eliminate duplicates Z: 11 16.484 1.784 1.064 0.888 1.000 0.600 CB 1.020 Z: 17 24.411 1.826 0.860 0.860 1.000 0.750 CB 1.321 17 residues pruned to eliminate duplicates Z: 22 24.298 1.750 0.896 0.897 0.952 0.810 CB 1.201 21 residues pruned to eliminate duplicates Z: 23 22.343 1.696 0.886 0.863 0.864 0.591 CB 1.266 24 residues pruned to eliminate duplicates Z: 22 26.949 1.810 0.923 0.903 0.952 0.762 CB 1.264 22 residues pruned to eliminate duplicates Z: 23 25.354 1.730 0.811 0.903 1.000 0.818 CB 1.229 23 residues pruned to eliminate duplicates Z: 23 21.807 1.704 0.706 0.894 1.000 0.682 CB 1.148 23 residues pruned to eliminate duplicates Z: 19 20.033 1.759 0.618 0.909 0.944 0.833 CB 1.247 14 residues pruned to eliminate duplicates Z: 23 25.596 1.743 0.904 0.928 1.000 0.864 CB 1.152 23 residues pruned to eliminate duplicates Z: 21 22.244 1.817 0.762 0.909 0.900 0.850 CB 1.225 20 residues pruned to eliminate duplicates Z: 17 20.204 1.748 0.676 0.888 1.000 0.938 CB 1.242 17 residues pruned to eliminate duplicates Z: 7 3.548 1.678 0.334 0.309 0.833 0.500 CB 0.959 Z: 16 15.922 1.772 0.608 0.843 0.867 0.667 CB 1.239 16 residues pruned to eliminate duplicates Z: 19 24.999 1.760 0.688 0.908 1.000 0.889 CB 1.409 Z: 13 24.720 1.897 0.807 0.891 1.000 0.833 CB 1.497 13 residues pruned to eliminate duplicates Z: 14 21.381 1.826 1.364 0.883 0.923 0.692 CB 1.076 14 residues pruned to eliminate duplicates Z: 21 19.648 1.828 0.762 0.898 0.900 0.750 CB 1.085 21 residues pruned to eliminate duplicates Z: 19 23.030 1.726 0.898 0.880 1.000 0.944 CB 1.201 Z: 19 31.575 1.875 0.969 0.873 1.000 0.833 CB 1.469 19 residues pruned to eliminate duplicates Z: 12 17.709 1.785 0.911 0.873 1.000 0.727 CB 1.140 11 residues pruned to eliminate duplicates Z: 20 28.818 1.859 1.185 0.898 0.947 0.842 CB 1.229 20 residues pruned to eliminate duplicates Z: 13 19.036 1.793 0.790 0.887 0.917 0.667 O 1.346 13 residues pruned to eliminate duplicates Z: 12 11.499 1.534 0.689 0.880 0.909 0.636 O 1.067 Z: 23 22.195 1.709 0.872 0.909 0.955 0.818 CB 1.100 23 residues pruned to eliminate duplicates Z: 16 19.981 1.735 0.768 0.856 1.000 0.733 CB 1.241 15 residues pruned to eliminate duplicates Z: 18 24.785 1.741 0.788 0.890 1.000 0.941 CB 1.389 Z: 17 19.197 1.775 0.479 0.897 1.000 0.812 CB 1.309 17 residues pruned to eliminate duplicates Z: 21 24.335 1.785 0.959 0.888 0.950 0.650 CB 1.180 21 residues pruned to eliminate duplicates Z: 19 18.052 1.800 1.125 0.852 0.889 0.556 CB 0.925 19 residues pruned to eliminate duplicates Z: 17 11.819 1.687 0.818 0.858 1.000 0.750 CB 0.710 Z: 7 9.187 1.575 0.939 0.869 1.000 0.500 CB 0.897 7 residues pruned to eliminate duplicates Z: 18 19.795 1.776 0.849 0.864 1.000 0.941 CB 1.072 19 residues pruned to eliminate duplicates Z: 19 28.561 1.857 0.998 0.940 1.000 0.833 CB 1.260 20 residues pruned to eliminate duplicates Z: 14 16.446 1.742 0.622 0.889 1.000 0.923 CB 1.162 14 residues pruned to eliminate duplicates Z: 16 25.158 1.918 0.945 0.929 1.000 0.733 CB 1.218 17 residues pruned to eliminate duplicates Z: 6 2.062 1.699 0.337 0.206 0.400 0.200 CB 1.438 Z: 20 15.432 1.702 0.935 0.894 0.947 0.579 CB 0.814 Z: 22 23.688 1.677 0.801 0.883 0.952 0.857 CB 1.299 22 residues pruned to eliminate duplicates Z: 16 25.177 1.792 0.794 0.907 1.000 0.933 CB 1.437 16 residues pruned to eliminate duplicates Z: 18 24.933 1.822 0.832 0.898 1.000 0.706 CB 1.296 19 residues pruned to eliminate duplicates Z: 19 13.870 1.746 1.031 0.821 0.722 0.500 CB 0.966 19 residues pruned to eliminate duplicates Z: 17 17.050 1.735 0.726 0.883 0.938 0.750 CB 1.098 16 residues pruned to eliminate duplicates Z: 14 12.241 1.620 0.364 0.858 0.923 0.923 O 1.226 Z: 17 17.703 1.715 0.746 0.919 1.000 1.000 CB 1.042 17 residues pruned to eliminate duplicates Z: 16 18.973 1.739 1.000 0.926 1.000 0.800 CB 0.988 13 residues pruned to eliminate duplicates Z: 22 26.142 1.820 0.776 0.917 1.000 0.905 CB 1.246 22 residues pruned to eliminate duplicates Z: 19 23.334 1.758 0.694 0.916 1.000 0.722 CB 1.304 19 residues pruned to eliminate duplicates Z: 18 19.155 1.748 0.527 0.882 0.941 0.882 CB 1.338 18 residues pruned to eliminate duplicates Z: 6 9.080 1.775 0.532 0.875 1.000 0.800 CB 1.086 6 residues pruned to eliminate duplicates Z: 19 18.424 1.779 0.595 0.878 0.944 0.722 CB 1.176 Z: 17 16.220 1.816 0.675 0.857 0.875 0.750 CB 1.123 17 residues pruned to eliminate duplicates Z: 13 10.871 1.679 0.717 0.699 0.750 0.417 CB 1.211 13 residues pruned to eliminate duplicates Z: 9 8.137 1.661 0.571 0.788 1.000 0.625 CB 0.856 Z: 15 21.573 1.828 1.195 0.914 0.929 0.500 CB 1.095 15 residues pruned to eliminate duplicates Z: 17 17.150 1.786 0.685 0.925 1.000 0.938 CB 1.000 16 residues pruned to eliminate duplicates Z: 16 28.273 1.885 1.207 0.905 1.000 0.867 CB 1.249 16 residues pruned to eliminate duplicates Z: 12 15.672 1.800 0.983 0.816 0.818 0.545 CB 1.229 11 residues pruned to eliminate duplicates Z: 21 22.995 1.707 0.988 0.904 0.950 0.850 CB 1.136 20 residues pruned to eliminate duplicates Z: 24 12.106 1.714 0.778 0.540 0.783 0.478 CB 1.017 24 residues pruned to eliminate duplicates Z: 19 23.706 1.768 0.660 0.906 1.000 0.944 CB 1.355 19 residues pruned to eliminate duplicates Z: 11 9.887 1.720 0.276 0.817 0.900 0.800 CB 1.202 11 residues pruned to eliminate duplicates Z: 17 15.905 1.843 0.847 0.822 0.812 0.500 CB 1.087 17 residues pruned to eliminate duplicates Z: 14 17.287 1.863 0.951 0.857 0.923 0.769 CB 1.053 14 residues pruned to eliminate duplicates Z: 24 18.861 1.783 0.622 0.680 0.870 0.696 CB 1.326 24 residues pruned to eliminate duplicates Z: 20 17.045 1.708 0.905 0.941 1.000 0.842 CB 0.834 19 residues pruned to eliminate duplicates Z: 16 15.146 1.619 0.514 0.886 1.000 0.933 CB 1.151 14 residues pruned to eliminate duplicates Z: 6 3.262 1.682 0.087 0.439 0.800 0.400 CB 1.062 Z: 20 17.875 1.742 0.837 0.777 0.842 0.684 CB 1.192 17 residues pruned to eliminate duplicates Z: 22 27.044 1.825 1.193 0.925 0.905 0.905 CB 1.144 23 residues pruned to eliminate duplicates Z: 13 20.303 1.842 0.734 0.862 1.000 0.583 CB 1.348 13 residues pruned to eliminate duplicates Z: 18 20.907 1.807 0.546 0.910 1.000 0.824 CB 1.288 18 residues pruned to eliminate duplicates Z: 20 28.343 1.826 1.050 0.927 0.947 0.632 CB 1.285 20 residues pruned to eliminate duplicates Z: 19 22.082 1.687 0.822 0.892 0.889 0.667 CB 1.369 19 residues pruned to eliminate duplicates Z: 19 21.134 1.778 0.618 0.860 0.944 0.722 CB 1.348 19 residues pruned to eliminate duplicates Z: 14 15.394 1.750 0.434 0.902 1.000 0.769 CB 1.214 14 residues pruned to eliminate duplicates Z: 23 15.407 1.650 0.943 0.902 0.909 0.591 CB 0.804 23 residues pruned to eliminate duplicates Z: 9 8.246 1.701 1.432 0.872 0.875 0.875 CB 0.587 9 residues pruned to eliminate duplicates Z: 15 15.214 1.703 0.523 0.931 0.929 0.643 O 1.180 15 residues pruned to eliminate duplicates Z: 6 4.016 1.509 0.269 0.515 0.800 0.600 N 1.155 Z: 8 5.907 1.480 0.393 0.773 0.714 0.571 CB 1.191 8 residues pruned to eliminate duplicates Z: 22 24.494 1.807 0.567 0.922 1.000 0.952 CB 1.327 22 residues pruned to eliminate duplicates Z: 18 25.471 1.804 0.732 0.850 1.000 0.824 CB 1.465 18 residues pruned to eliminate duplicates Z: 23 23.764 1.757 0.774 0.898 1.000 0.818 CB 1.163 23 residues pruned to eliminate duplicates Z: 16 20.097 1.883 0.745 0.914 0.867 0.800 CB 1.289 16 residues pruned to eliminate duplicates Z: 16 23.654 1.830 0.864 0.907 1.000 0.867 CB 1.272 16 residues pruned to eliminate duplicates Z: 13 17.520 1.851 0.819 0.856 0.917 0.833 CB 1.208 13 residues pruned to eliminate duplicates Z: 19 27.855 1.821 0.925 0.918 1.000 0.778 CB 1.320 18 residues pruned to eliminate duplicates Z: 19 21.604 1.697 0.644 0.867 0.944 0.889 CB 1.415 18 residues pruned to eliminate duplicates Z: 17 15.937 1.721 0.679 0.880 0.875 0.625 CB 1.142 17 residues pruned to eliminate duplicates Z: 18 22.332 1.874 0.814 0.880 1.000 0.765 CB 1.154 18 residues pruned to eliminate duplicates Z: 19 17.016 1.721 0.463 0.837 0.944 0.722 CB 1.261 19 residues pruned to eliminate duplicates Z: 19 26.324 1.893 0.919 0.925 1.000 0.722 CB 1.199 18 residues pruned to eliminate duplicates Z: 20 24.027 1.730 0.884 0.889 0.947 0.632 N 1.285 20 residues pruned to eliminate duplicates Z: 17 27.596 1.864 0.996 0.892 1.000 0.875 CB 1.332 17 residues pruned to eliminate duplicates Z: 20 29.770 1.861 0.933 0.938 1.000 0.421 CB 1.320 20 residues pruned to eliminate duplicates Z: 20 25.092 1.854 0.930 0.905 0.947 0.737 CB 1.208 20 residues pruned to eliminate duplicates Z: 23 18.945 1.735 0.511 0.870 1.000 0.864 CB 1.124 23 residues pruned to eliminate duplicates Z: 16 13.651 1.662 0.692 0.889 0.933 0.733 CB 0.967 16 residues pruned to eliminate duplicates Z: 31 11.878 1.619 0.393 0.515 0.800 0.367 CB 1.185 19 residues pruned to eliminate duplicates Z: 17 17.813 1.752 0.644 0.877 1.000 0.812 CB 1.122 17 residues pruned to eliminate duplicates Z: 18 18.630 1.662 0.808 0.906 1.000 0.941 CB 1.069 17 residues pruned to eliminate duplicates Z: 20 20.757 1.746 0.821 0.868 0.895 0.632 CB 1.224 20 residues pruned to eliminate duplicates Z: 15 10.524 1.543 0.330 0.886 1.000 0.714 CB 0.989 15 residues pruned to eliminate duplicates Z: 20 34.038 1.881 0.948 0.918 1.000 0.947 CB 1.503 20 residues pruned to eliminate duplicates Z: 19 19.733 1.692 0.678 0.894 0.889 0.611 CB 1.322 19 residues pruned to eliminate duplicates Z: 14 21.538 1.874 0.875 0.898 1.000 0.615 CB 1.216 14 residues pruned to eliminate duplicates Z: 16 16.959 1.705 0.552 0.873 1.000 0.600 CB 1.205 16 residues pruned to eliminate duplicates Z: 19 28.989 1.967 0.880 0.900 0.944 0.722 CB 1.398 19 residues pruned to eliminate duplicates Z: 10 7.153 1.800 0.705 0.844 0.889 0.778 CB 0.650 10 residues pruned to eliminate duplicates Z: 6 2.732 1.331 0.129 0.546 0.800 0.600 N 0.972 Z: 20 21.130 1.696 0.839 0.894 1.000 0.789 CB 1.115 20 residues pruned to eliminate duplicates 6 1.949 1.601 0.450 0.526 0.600 0.600 CB 0.610 ? Z: 8 3.084 1.520 0.751 0.287 0.714 0.429 CB 0.779 Z: 11 19.700 1.797 0.536 0.910 1.000 1.000 CB 1.601 11 residues pruned to eliminate duplicates Z: 10 13.410 1.664 0.972 0.852 1.000 0.889 CB 1.008 9 residues pruned to eliminate duplicates Z: 12 10.043 1.689 0.399 0.889 0.818 0.636 O 1.128 12 residues pruned to eliminate duplicates Z: 14 14.482 1.734 0.436 0.918 1.000 0.923 CB 1.138 14 residues pruned to eliminate duplicates Z: 10 9.277 1.616 0.721 0.690 0.778 0.333 O 1.201 10 residues pruned to eliminate duplicates Z: 17 16.879 1.853 0.743 0.903 0.875 0.500 CB 1.064 17 residues pruned to eliminate duplicates Z: 7 2.736 1.512 0.131 0.342 0.667 0.333 N 1.163 Z: 17 27.553 1.835 1.198 0.920 1.000 0.812 CB 1.203 17 residues pruned to eliminate duplicates Z: 18 19.852 1.786 0.597 0.924 0.941 0.882 CB 1.259 17 residues pruned to eliminate duplicates Z: 26 13.533 1.669 0.430 0.570 0.800 0.520 CB 1.324 26 residues pruned to eliminate duplicates Z: 17 27.342 1.839 0.826 0.906 1.000 0.938 CB 1.448 17 residues pruned to eliminate duplicates Z: 12 11.171 1.723 0.553 0.773 0.909 0.727 CB 1.088 12 residues pruned to eliminate duplicates Z: 17 21.471 1.774 0.610 0.900 1.000 1.000 CB 1.342 18 residues pruned to eliminate duplicates Z: 6 2.207 1.559 0.375 0.317 0.600 0.400 N 0.939 Z: 17 19.000 1.801 0.761 0.848 1.000 0.688 CB 1.111 15 residues pruned to eliminate duplicates Z: 20 16.689 1.688 0.719 0.846 0.895 0.789 CB 1.096 20 residues pruned to eliminate duplicates Z: 19 22.185 1.753 0.672 0.867 1.000 0.778 CB 1.305 19 residues pruned to eliminate duplicates Z: 17 24.770 1.862 0.687 0.898 0.938 0.688 O 1.504 14 residues pruned to eliminate duplicates Z: 19 13.494 1.867 0.516 0.879 0.889 0.889 CB 0.917 19 residues pruned to eliminate duplicates Z: 24 13.474 1.694 0.773 0.579 0.870 0.478 CB 0.998 24 residues pruned to eliminate duplicates Z: 8 4.367 1.680 0.412 0.364 0.857 0.714 CB 0.940 Z: 18 22.977 1.737 0.779 0.865 1.000 0.706 O 1.321 18 residues pruned to eliminate duplicates Z: 24 18.955 1.716 0.931 0.891 0.826 0.565 CB 1.038 24 residues pruned to eliminate duplicates Z: 14 21.866 1.737 0.878 0.867 0.923 0.692 CB 1.473 15 residues pruned to eliminate duplicates Z: 20 23.736 1.824 1.076 0.838 0.895 0.579 CB 1.201 20 residues pruned to eliminate duplicates Z: 18 18.378 1.721 0.910 0.913 0.941 0.706 CB 1.020 18 residues pruned to eliminate duplicates Z: 8 2.109 1.455 -0.080 0.303 0.714 0.286 CB 1.039 Z: 22 26.931 1.839 0.852 0.903 0.952 0.810 CB 1.292 22 residues pruned to eliminate duplicates Z: 22 25.713 1.796 0.857 0.902 0.952 0.714 CB 1.259 22 residues pruned to eliminate duplicates Z: 17 20.753 1.722 0.680 0.911 1.000 0.750 CB 1.271 17 residues pruned to eliminate duplicates Z: 19 20.023 1.849 0.670 0.859 0.944 0.944 CB 1.190 19 residues pruned to eliminate duplicates Z: 15 18.428 1.745 1.190 0.889 0.929 0.643 CB 1.000 16 residues pruned to eliminate duplicates Z: 16 16.166 1.611 0.653 0.930 1.000 0.867 CB 1.096 15 residues pruned to eliminate duplicates Z: 20 21.432 1.888 0.615 0.932 0.895 0.842 CB 1.259 20 residues pruned to eliminate duplicates Z: 18 22.359 1.827 0.625 0.896 1.000 0.824 CB 1.308 18 residues pruned to eliminate duplicates Z: 16 21.471 1.780 0.869 0.883 0.867 0.667 CB 1.390 17 residues pruned to eliminate duplicates Z: 9 3.361 1.647 0.180 0.311 0.625 0.375 CB 1.205 Z: 16 16.733 1.624 0.629 0.899 1.000 0.933 CB 1.168 16 residues pruned to eliminate duplicates Z: 18 19.809 1.764 0.541 0.886 0.941 0.647 CB 1.355 18 residues pruned to eliminate duplicates Z: 12 11.312 1.766 0.678 0.757 0.909 0.818 CB 1.008 12 residues pruned to eliminate duplicates Z: 12 8.082 1.559 0.504 0.501 0.818 0.545 CB 1.270 8 residues pruned to eliminate duplicates Z: 21 14.387 1.734 0.851 0.646 0.950 0.750 CB 0.921 21 residues pruned to eliminate duplicates Z: 13 9.989 1.560 0.353 0.847 0.917 0.917 CB 1.107 13 residues pruned to eliminate duplicates Z: 24 24.428 1.643 0.996 0.911 0.957 0.652 CB 1.151 24 residues pruned to eliminate duplicates Z: 12 7.317 1.581 0.762 0.731 0.636 0.364 CB 1.011 12 residues pruned to eliminate duplicates Z: 18 23.666 1.809 1.433 0.893 0.941 0.706 CB 0.994 18 residues pruned to eliminate duplicates Z: 6 3.513 1.331 0.208 0.647 0.800 0.600 CB 1.065 7 residues pruned to eliminate duplicates Z: 11 13.962 1.690 1.097 0.830 0.900 0.800 CB 1.041 Z: 11 20.789 1.875 0.717 0.929 1.000 0.900 CB 1.429 12 residues pruned to eliminate duplicates Z: 6 3.675 1.556 0.601 0.792 0.800 0.600 CB 0.638 Z: 13 8.866 1.807 1.183 0.898 0.917 0.583 CB 0.506 13 residues pruned to eliminate duplicates Z: 12 15.345 1.717 1.141 0.818 0.818 0.364 CB 1.167 12 residues pruned to eliminate duplicates Z: 20 15.456 1.687 0.868 0.911 1.000 0.684 CB 0.797 20 residues pruned to eliminate duplicates Z: 19 23.139 1.764 1.082 0.870 1.000 0.833 CB 1.084 19 residues pruned to eliminate duplicates Z: 15 13.403 1.667 0.865 0.779 1.000 0.786 CB 0.901 15 residues pruned to eliminate duplicates Z: 7 2.461 1.535 0.222 0.587 1.000 0.500 CB 0.493 Z: 22 7.953 1.609 0.453 0.417 0.762 0.619 CB 1.063 30 residues pruned to eliminate duplicates Z: 16 19.491 1.793 0.888 0.883 1.000 0.667 CB 1.075 16 residues pruned to eliminate duplicates Z: 17 21.533 1.780 0.744 0.910 0.938 0.875 CB 1.312 17 residues pruned to eliminate duplicates Z: 18 18.570 1.649 0.823 0.905 1.000 0.824 CB 1.066 18 residues pruned to eliminate duplicates Z: 18 20.234 1.599 0.847 0.925 1.000 0.588 CB 1.166 17 residues pruned to eliminate duplicates Z: 18 23.020 1.783 0.680 0.909 0.941 0.824 CB 1.405 18 residues pruned to eliminate duplicates Z: 16 14.417 1.735 0.664 0.893 0.867 0.800 CB 1.068 16 residues pruned to eliminate duplicates Z: 6 3.929 1.535 0.494 0.808 0.800 0.800 CB 0.732 6 residues pruned to eliminate duplicates Z: 8 4.551 1.610 1.130 0.900 1.000 0.857 CB 0.358 8 residues pruned to eliminate duplicates Z: 18 20.135 1.744 0.533 0.877 0.941 0.824 CB 1.410 18 residues pruned to eliminate duplicates Z: 18 21.847 1.812 0.598 0.902 1.000 0.824 CB 1.306 18 residues pruned to eliminate duplicates Z: 12 2.826 1.440 0.458 0.226 0.909 0.636 CB 0.615 Z: 18 22.506 1.791 0.483 0.927 1.000 0.882 CB 1.440 18 residues pruned to eliminate duplicates Z: 19 23.941 1.774 1.039 0.864 0.944 0.722 CB 1.212 19 residues pruned to eliminate duplicates Z: 19 19.300 1.918 0.964 0.905 0.944 0.667 CB 0.910 19 residues pruned to eliminate duplicates Z: 19 12.134 1.675 0.739 0.784 0.778 0.500 CB 0.983 18 residues pruned to eliminate duplicates Z: 19 20.368 1.738 0.613 0.936 1.000 1.000 CB 1.192 19 residues pruned to eliminate duplicates Z: 24 21.449 1.709 0.973 0.872 0.957 0.565 CB 1.011 24 residues pruned to eliminate duplicates Z: 17 15.700 1.768 0.894 0.792 0.938 0.625 CB 0.968 19 residues pruned to eliminate duplicates Z: 15 15.782 1.721 0.858 0.713 0.857 0.571 O 1.268 15 residues pruned to eliminate duplicates Z: 8 8.784 1.590 0.558 0.855 1.000 0.571 CB 0.989 8 residues pruned to eliminate duplicates Z: 20 13.793 1.689 0.607 0.896 0.947 0.789 CB 0.882 20 residues pruned to eliminate duplicates Z: 19 17.067 1.792 0.636 0.773 0.833 0.611 CB 1.293 20 residues pruned to eliminate duplicates Z: 13 16.045 1.867 0.777 0.844 0.917 0.833 CB 1.134 13 residues pruned to eliminate duplicates Z: 8 4.878 1.543 0.218 0.496 0.857 0.714 N 1.149 Z: 17 13.737 1.667 0.674 0.907 1.000 0.812 CB 0.875 17 residues pruned to eliminate duplicates Z: 19 19.853 1.807 0.797 0.771 0.944 0.500 CB 1.200 19 residues pruned to eliminate duplicates Z: 9 10.859 1.651 0.783 0.848 1.000 0.625 CB 0.968 9 residues pruned to eliminate duplicates Z: 8 2.635 1.510 0.103 0.466 0.714 0.429 CB 0.867 Z: 19 20.743 1.827 0.915 0.915 0.889 0.611 CB 1.111 19 residues pruned to eliminate duplicates Z: 8 4.913 1.604 0.383 0.820 1.000 0.571 CB 0.634 8 residues pruned to eliminate duplicates Z: 19 16.127 1.798 0.456 0.653 1.000 0.611 CB 1.259 19 residues pruned to eliminate duplicates Z: 19 21.735 1.788 0.510 0.875 0.944 0.944 CB 1.461 19 residues pruned to eliminate duplicates Z: 15 20.590 1.760 0.828 0.859 1.000 0.857 CB 1.259 15 residues pruned to eliminate duplicates Z: 20 13.804 1.661 0.896 0.918 1.000 0.842 CB 0.709 19 residues pruned to eliminate duplicates Z: 22 21.056 1.831 0.556 0.881 1.000 0.905 CB 1.167 22 residues pruned to eliminate duplicates Z: 18 7.307 1.547 0.634 0.426 0.765 0.353 CB 0.990 Z: 17 17.441 1.704 0.549 0.865 0.938 0.938 CB 1.290 11 residues pruned to eliminate duplicates Z: 17 15.129 1.792 0.671 0.794 0.938 0.625 CB 1.040 16 residues pruned to eliminate duplicates Z: 7 3.207 1.369 0.595 0.388 0.667 0.667 C 1.013 Z: 13 12.410 1.696 0.693 0.795 0.917 0.667 CB 1.051 13 residues pruned to eliminate duplicates Z: 18 18.863 1.760 0.687 0.894 0.941 0.647 CB 1.175 18 residues pruned to eliminate duplicates Z: 23 4.522 1.500 0.111 0.290 0.682 0.455 CB 1.074 23 residues pruned to eliminate duplicates Z: 8 3.617 1.769 0.330 0.506 0.857 0.429 CB 0.674 Z: 11 13.153 1.771 0.591 0.791 0.900 0.800 CB 1.271 11 residues pruned to eliminate duplicates Z: 7 3.228 1.406 0.035 0.412 0.833 0.667 N 1.192 Z: 19 22.137 1.764 0.615 0.910 1.000 0.778 CB 1.298 19 residues pruned to eliminate duplicates Z: 10 6.651 1.497 0.757 0.685 0.889 0.556 CB 0.800 10 residues pruned to eliminate duplicates Z: 15 15.440 1.629 0.634 0.894 1.000 0.714 CB 1.112 15 residues pruned to eliminate duplicates Z: 10 9.635 1.601 0.952 0.895 0.889 0.778 CB 0.828 10 residues pruned to eliminate duplicates Z: 13 5.137 1.705 0.414 0.444 0.917 0.500 CB 0.710 8 residues pruned to eliminate duplicates 6 1.814 1.040 0.465 0.564 0.800 0.400 CB 0.626 ? Z: 19 11.586 1.633 0.485 0.741 0.833 0.444 CB 1.089 19 residues pruned to eliminate duplicates Z: 18 24.259 1.917 0.798 0.926 0.941 0.882 CB 1.272 18 residues pruned to eliminate duplicates Z: 16 16.912 1.952 0.871 0.923 0.933 0.800 CB 0.900 16 residues pruned to eliminate duplicates Z: 20 23.018 1.871 1.068 0.936 1.000 0.737 CB 0.951 20 residues pruned to eliminate duplicates Z: 8 2.184 1.432 0.061 0.351 0.714 0.714 CB 0.894 Z: 18 22.356 1.803 1.074 0.861 0.882 0.588 CB 1.207 18 residues pruned to eliminate duplicates Z: 14 11.897 1.725 0.473 0.843 1.000 0.769 CB 0.967 14 residues pruned to eliminate duplicates Z: 8 2.815 1.397 0.130 0.609 0.714 0.571 CB 0.852 Z: 17 15.867 1.521 0.787 0.822 1.000 0.750 CB 1.104 7 residues pruned to eliminate duplicates Z: 17 16.071 1.801 1.252 0.727 0.875 0.500 CB 0.922 17 residues pruned to eliminate duplicates Z: 16 18.232 1.958 0.680 0.910 0.933 0.867 CB 1.087 16 residues pruned to eliminate duplicates Z: 15 18.593 1.829 0.714 0.828 0.857 0.714 CB 1.392 15 residues pruned to eliminate duplicates Z: 10 2.739 1.559 0.205 0.056 0.778 0.444 CB 1.124 Z: 7 3.333 1.539 0.728 0.276 0.833 0.333 N 0.791 Z: 8 8.882 1.756 0.799 0.863 1.000 0.857 CB 0.780 8 residues pruned to eliminate duplicates Z: 8 5.440 1.427 0.250 0.561 1.000 0.714 CB 1.086 7 residues pruned to eliminate duplicates Z: 21 27.091 1.690 0.996 0.864 1.000 0.750 CB 1.316 22 residues pruned to eliminate duplicates Z: 16 18.437 1.681 0.923 0.910 0.933 0.400 CB 1.119 16 residues pruned to eliminate duplicates Z: 20 17.505 1.840 0.686 0.899 0.895 0.737 CB 1.034 20 residues pruned to eliminate duplicates Z: 6 3.425 1.503 0.804 0.296 0.800 0.600 CB 0.887 Z: 15 14.327 1.646 0.602 0.855 0.929 0.857 CB 1.154 15 residues pruned to eliminate duplicates Z: 18 17.997 1.692 0.726 0.906 1.000 0.824 CB 1.063 18 residues pruned to eliminate duplicates Z: 12 11.544 1.807 0.680 0.859 0.909 0.455 CB 0.928 12 residues pruned to eliminate duplicates Z: 19 17.703 1.571 0.654 0.877 0.944 0.833 CB 1.235 19 residues pruned to eliminate duplicates Z: 15 22.112 1.905 0.854 0.914 0.929 0.786 CB 1.274 15 residues pruned to eliminate duplicates Z: 9 7.598 1.714 0.803 0.727 0.875 0.375 CB 0.810 9 residues pruned to eliminate duplicates 7 0.891 1.347 0.488 0.248 0.500 0.500 CB 0.485 ? Z: 11 18.813 1.781 0.665 0.901 1.000 0.800 CB 1.432 11 residues pruned to eliminate duplicates Z: 18 19.968 1.786 0.731 0.839 1.000 0.765 CB 1.170 18 residues pruned to eliminate duplicates Z: 15 15.812 1.794 0.853 0.819 0.857 0.571 CB 1.123 15 residues pruned to eliminate duplicates Z: 16 16.906 1.594 1.095 0.844 0.933 0.600 CB 1.042 11 residues pruned to eliminate duplicates Z: 8 4.513 1.544 0.085 0.501 1.000 0.571 CB 1.017 Z: 12 18.099 1.797 0.913 0.816 0.909 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 17 15.326 1.723 1.178 0.899 0.938 0.938 CB 0.779 Z: 13 11.636 1.740 0.724 0.659 0.750 0.250 CB 1.288 13 residues pruned to eliminate duplicates Z: 7 7.791 1.662 0.683 0.685 1.000 0.667 CB 0.959 9 residues pruned to eliminate duplicates Z: 14 14.526 1.582 0.646 0.887 1.000 0.846 O 1.116 8 residues pruned to eliminate duplicates Z: 18 20.103 1.730 0.914 0.873 0.941 0.824 CB 1.140 21 residues pruned to eliminate duplicates Z: 9 12.081 1.685 0.840 0.811 0.875 0.750 N 1.201 9 residues pruned to eliminate duplicates Z: 15 14.981 1.596 0.853 0.843 0.857 0.500 CB 1.175 14 residues pruned to eliminate duplicates Z: 12 13.956 1.759 0.930 0.791 0.909 0.636 CB 1.057 12 residues pruned to eliminate duplicates Z: 7 12.144 1.593 0.804 0.835 1.000 0.500 CB 1.292 Z: 22 19.054 1.786 0.514 0.901 0.952 0.810 CB 1.153 22 residues pruned to eliminate duplicates 6 1.625 1.105 0.404 0.295 0.800 0.600 N 0.736 ? Z: 17 14.534 1.649 0.750 0.741 0.938 0.688 CB 1.082 17 residues pruned to eliminate duplicates Z: 8 3.208 1.592 0.549 0.512 0.571 0.571 CB 0.851 8 residues pruned to eliminate duplicates Z: 18 26.505 1.803 0.823 0.906 1.000 0.765 CB 1.391 19 residues pruned to eliminate duplicates Z: 19 33.618 1.887 1.094 0.954 1.000 0.944 CB 1.379 19 residues pruned to eliminate duplicates Z: 18 19.457 1.732 0.481 0.901 0.941 0.941 CB 1.394 18 residues pruned to eliminate duplicates Z: 6 6.178 1.801 0.339 0.855 1.000 1.000 CB 0.846 6 residues pruned to eliminate duplicates Z: 7 5.511 1.653 0.843 0.372 1.000 0.333 CB 0.847 Z: 17 15.476 1.681 0.649 0.889 0.875 0.812 CB 1.148 17 residues pruned to eliminate duplicates Z: 17 21.822 1.725 0.796 0.897 1.000 0.750 CB 1.261 11 residues pruned to eliminate duplicates Z: 18 17.533 1.868 0.811 0.918 1.000 0.941 CB 0.886 18 residues pruned to eliminate duplicates Z: 19 16.980 1.743 0.877 0.664 0.833 0.667 CB 1.260 19 residues pruned to eliminate duplicates Z: 15 17.781 1.608 0.567 0.928 1.000 1.000 O 1.320 17 residues pruned to eliminate duplicates Z: 12 3.673 1.500 0.738 0.308 0.636 0.273 CB 0.827 Z: 15 16.394 1.707 0.943 0.842 0.786 0.643 CB 1.253 15 residues pruned to eliminate duplicates Z: 18 15.819 1.673 0.841 0.708 0.882 0.353 CB 1.168 18 residues pruned to eliminate duplicates Z: 20 18.264 1.658 0.906 0.839 0.842 0.421 CB 1.176 20 residues pruned to eliminate duplicates Z: 18 19.352 1.750 0.699 0.924 0.941 0.882 CB 1.177 18 residues pruned to eliminate duplicates Z: 19 24.429 1.925 0.983 0.919 1.000 0.889 CB 1.064 18 residues pruned to eliminate duplicates Z: 7 7.568 1.631 1.044 0.678 0.667 0.667 O 1.180 7 residues pruned to eliminate duplicates Z: 14 15.587 1.691 0.655 0.809 0.923 0.769 CB 1.278 14 residues pruned to eliminate duplicates Z: 19 20.791 1.719 0.797 0.893 0.944 0.611 CB 1.206 19 residues pruned to eliminate duplicates Z: 15 18.515 1.725 1.238 0.916 0.929 0.786 CB 0.975 18 residues pruned to eliminate duplicates Z: 21 23.120 1.793 0.999 0.702 0.900 0.650 CB 1.333 21 residues pruned to eliminate duplicates Z: 18 28.439 1.846 0.902 0.921 1.000 0.882 CB 1.383 18 residues pruned to eliminate duplicates Z: 18 7.863 1.481 0.438 0.710 0.765 0.529 CB 0.967 18 residues pruned to eliminate duplicates Z: 19 26.892 1.712 0.949 0.891 1.000 0.778 CB 1.366 19 residues pruned to eliminate duplicates Z: 17 16.061 1.653 1.046 0.770 0.938 0.625 CB 0.997 17 residues pruned to eliminate duplicates Z: 7 7.655 1.619 0.854 0.837 0.833 0.500 CB 0.934 6 residues pruned to eliminate duplicates Z: 16 12.879 1.531 0.791 0.885 0.933 0.933 CB 0.938 16 residues pruned to eliminate duplicates Z: 6 2.413 1.387 0.627 0.268 0.600 0.400 O 1.038 Z: 17 23.752 1.732 0.819 0.906 1.000 0.875 CB 1.341 17 residues pruned to eliminate duplicates Z: 6 2.506 1.299 0.349 0.433 0.800 0.600 CB 0.857 Z: 20 28.085 1.749 1.013 0.903 0.947 0.789 N 1.377 20 residues pruned to eliminate duplicates Z: 13 23.411 1.873 1.048 0.875 0.833 0.833 CB 1.538 13 residues pruned to eliminate duplicates Z: 24 20.791 1.709 0.685 0.850 0.913 0.739 CB 1.221 24 residues pruned to eliminate duplicates Z: 19 24.940 1.843 1.074 0.925 1.000 0.500 CB 1.079 19 residues pruned to eliminate duplicates Z: 16 11.563 1.563 0.265 0.808 0.933 0.600 O 1.236 16 residues pruned to eliminate duplicates Z: 16 13.126 1.691 0.792 0.892 1.000 0.933 CB 0.804 16 residues pruned to eliminate duplicates Z: 6 2.464 1.434 0.300 0.298 0.800 0.600 CB 0.925 Z: 19 26.318 1.628 1.031 0.822 1.000 0.778 CB 1.419 19 residues pruned to eliminate duplicates Z: 21 20.352 1.848 0.850 0.874 0.900 0.650 CB 1.077 21 residues pruned to eliminate duplicates Z: 16 8.212 1.505 0.732 0.516 0.733 0.467 CB 1.092 16 residues pruned to eliminate duplicates Z: 13 8.824 1.538 0.833 0.816 0.833 0.667 CB 0.824 13 residues pruned to eliminate duplicates Z: 16 24.537 1.851 0.662 0.909 1.000 0.933 CB 1.461 16 residues pruned to eliminate duplicates Z: 9 11.153 1.653 1.054 0.766 1.000 0.750 CB 0.917 9 residues pruned to eliminate duplicates Z: 10 11.729 1.806 0.587 0.572 1.000 0.778 CB 1.272 10 residues pruned to eliminate duplicates Z: 14 11.789 1.579 0.860 0.840 0.846 0.462 CB 0.982 22 residues pruned to eliminate duplicates Z: 8 2.429 1.332 0.563 0.327 0.714 0.286 CB 0.746 Z: 16 31.559 1.885 1.133 0.904 0.933 0.733 CB 1.546 17 residues pruned to eliminate duplicates Z: 21 25.277 1.807 0.846 0.879 0.950 0.750 CB 1.294 21 residues pruned to eliminate duplicates Z: 27 18.678 1.746 0.717 0.671 0.885 0.500 CB 1.180 27 residues pruned to eliminate duplicates Z: 6 5.449 1.785 0.546 0.613 0.800 0.600 CB 0.991 Z: 15 18.987 1.768 0.522 0.860 1.000 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 22 30.339 1.824 0.860 0.885 1.000 0.714 CB 1.408 22 residues pruned to eliminate duplicates Z: 15 6.290 1.698 0.823 0.851 0.929 0.714 CB 0.433 13 residues pruned to eliminate duplicates Z: 11 2.639 1.526 0.725 0.145 0.700 0.400 CB 0.702 Z: 6 2.636 1.487 0.173 0.308 0.800 0.600 CB 1.045 Z: 15 21.315 1.832 0.679 0.915 1.000 1.000 O 1.309 15 residues pruned to eliminate duplicates Z: 66 28.793 1.795 0.816 0.691 0.877 0.692 CB 1.049 56 residues pruned to eliminate duplicates Z: 6 2.880 1.570 0.223 0.412 0.800 0.400 N 0.920 Z: 20 21.304 1.653 0.825 0.872 0.947 0.579 CB 1.246 20 residues pruned to eliminate duplicates Z: 8 4.315 1.474 0.417 0.455 0.857 0.571 CB 0.954 Z: 23 17.623 1.738 0.650 0.836 0.955 0.773 CB 1.027 23 residues pruned to eliminate duplicates Z: 17 6.602 1.520 0.660 0.352 0.812 0.625 CB 0.945 Z: 15 12.883 1.694 0.676 0.877 0.929 0.929 CB 0.948 15 residues pruned to eliminate duplicates Z: 18 19.941 1.703 0.696 0.829 0.941 0.941 CB 1.339 18 residues pruned to eliminate duplicates Z: 26 29.514 1.753 0.984 0.894 1.000 0.800 CB 1.217 25 residues pruned to eliminate duplicates Z: 10 9.960 1.664 0.587 0.733 1.000 0.889 CB 1.019 10 residues pruned to eliminate duplicates Z: 14 17.563 1.734 0.678 0.760 0.923 0.615 CB 1.439 13 residues pruned to eliminate duplicates Z: 17 25.584 1.867 0.805 0.892 1.000 0.812 CB 1.364 17 residues pruned to eliminate duplicates Z: 6 2.698 1.725 0.568 0.282 0.600 0.600 CB 0.951 Z: 14 15.479 1.660 0.976 0.723 0.923 0.538 CB 1.159 14 residues pruned to eliminate duplicates Z: 16 18.951 1.633 0.646 0.885 1.000 0.933 CB 1.315 15 residues pruned to eliminate duplicates Z: 10 11.696 1.785 0.461 0.813 1.000 0.667 CB 1.139 10 residues pruned to eliminate duplicates Z: 16 19.342 1.630 1.040 0.851 0.867 0.800 CB 1.283 16 residues pruned to eliminate duplicates Z: 12 18.683 1.840 0.604 0.811 1.000 0.909 CB 1.455 12 residues pruned to eliminate duplicates Z: 19 21.921 1.727 0.733 0.868 1.000 0.889 CB 1.262 19 residues pruned to eliminate duplicates 6 1.004 1.631 0.901 0.758 0.800 0.600 CB 0.144 ? Z: 6 3.366 1.452 0.193 0.410 1.000 0.200 CB 0.954 Z: 17 20.025 1.604 1.105 0.902 0.938 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 7 7.790 1.655 0.497 0.862 1.000 0.833 CB 0.943 7 residues pruned to eliminate duplicates Z: 8 4.366 1.537 0.456 0.412 1.000 0.429 CB 0.808 Z: 16 18.896 1.562 0.932 0.834 1.000 0.600 O 1.212 15 residues pruned to eliminate duplicates Z: 12 5.925 1.627 0.427 0.629 0.909 0.727 CB 0.750 Z: 9 4.427 1.418 0.869 0.256 0.750 0.375 CB 1.041 Z: 7 6.020 1.323 0.424 0.745 1.000 0.833 CB 1.047 6 residues pruned to eliminate duplicates Z: 6 3.907 1.603 0.463 0.337 0.800 0.600 CB 1.112 Z: 20 16.076 1.776 0.492 0.914 1.000 0.947 CB 0.985 20 residues pruned to eliminate duplicates Z: 7 6.997 1.625 0.577 0.819 0.667 0.333 CB 1.268 7 residues pruned to eliminate duplicates Z: 23 17.244 1.722 0.464 0.879 0.955 0.773 CB 1.107 23 residues pruned to eliminate duplicates Z: 8 2.567 1.346 0.162 0.397 0.857 0.429 CB 0.807 4 residues pruned to eliminate duplicates Z: 20 19.232 1.736 0.748 0.877 0.947 0.632 CB 1.115 19 residues pruned to eliminate duplicates Z: 12 11.423 1.743 0.616 0.531 0.909 0.273 CB 1.305 12 residues pruned to eliminate duplicates Z: 18 19.661 1.748 0.478 0.888 0.941 0.824 CB 1.413 18 residues pruned to eliminate duplicates Z: 23 12.825 1.538 0.721 0.642 0.864 0.455 CB 1.047 23 residues pruned to eliminate duplicates Z: 17 27.814 1.739 0.909 0.929 1.000 0.938 CB 1.466 18 residues pruned to eliminate duplicates Z: 6 4.784 1.572 0.575 0.727 0.800 0.600 CB 0.881 6 residues pruned to eliminate duplicates Z: 10 12.676 1.699 0.343 0.879 1.000 0.778 O 1.343 10 residues pruned to eliminate duplicates Z: 7 9.292 1.715 0.605 0.887 0.833 0.667 N 1.193 7 residues pruned to eliminate duplicates Z: 9 9.277 1.498 0.587 0.678 0.875 0.500 O 1.338 8 residues pruned to eliminate duplicates Z: 14 13.642 1.584 0.690 0.846 0.846 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 11 4.417 1.683 0.564 0.295 0.800 0.400 CB 0.833 Z: 8 4.104 1.484 0.158 0.550 0.857 0.571 CB 1.002 Z: 19 27.348 1.830 0.923 0.910 0.944 0.833 CB 1.375 19 residues pruned to eliminate duplicates Z: 7 4.716 1.531 0.647 0.422 1.000 0.333 CB 0.828 Z: 23 17.505 1.739 0.512 0.912 0.955 0.909 CB 1.053 23 residues pruned to eliminate duplicates Z: 19 13.245 1.802 0.732 0.693 0.833 0.611 CB 1.006 19 residues pruned to eliminate duplicates 7 1.558 1.397 0.484 0.214 0.500 0.500 N 0.860 ? Z: 19 19.456 1.690 0.646 0.824 1.000 0.722 CB 1.246 19 residues pruned to eliminate duplicates Z: 17 17.957 1.668 0.821 0.860 1.000 0.812 CB 1.086 17 residues pruned to eliminate duplicates Z: 7 3.101 1.565 0.310 0.447 0.833 0.833 CB 0.782 Z: 9 4.361 1.393 0.234 0.459 0.750 0.500 N 1.247 Z: 9 2.787 1.657 0.250 0.268 0.875 0.375 CB 0.708 9 residues pruned to eliminate duplicates Z: 6 7.336 1.321 0.879 0.720 1.000 0.600 O 1.084 Z: 12 12.014 1.708 0.504 0.694 0.909 0.727 CB 1.299 11 residues pruned to eliminate duplicates Z: 18 12.537 1.782 0.711 0.910 0.941 0.824 CB 0.751 18 residues pruned to eliminate duplicates Z: 13 13.478 1.619 0.865 0.848 1.000 0.667 CB 0.956 13 residues pruned to eliminate duplicates Z: 9 4.826 1.296 0.927 0.514 0.750 0.250 CB 0.898 Z: 8 11.417 1.809 0.815 0.763 0.857 0.571 CB 1.214 8 residues pruned to eliminate duplicates Z: 6 3.289 1.678 0.750 0.620 0.800 0.800 CB 0.559 Z: 24 18.571 1.651 0.550 0.802 0.913 0.739 CB 1.273 24 residues pruned to eliminate duplicates Z: 21 16.223 1.523 0.852 0.804 0.850 0.500 CB 1.160 21 residues pruned to eliminate duplicates Z: 9 5.657 1.504 0.539 0.560 0.750 0.625 CB 1.087 9 residues pruned to eliminate duplicates Z: 13 8.121 1.647 0.352 0.660 0.917 0.667 CB 0.990 13 residues pruned to eliminate duplicates Z: 17 22.620 1.844 0.704 0.865 1.000 0.812 CB 1.319 16 residues pruned to eliminate duplicates Z: 7 4.759 1.362 0.585 0.789 1.000 0.500 CB 0.699 7 residues pruned to eliminate duplicates Z: 13 16.684 1.719 0.733 0.900 1.000 0.667 N 1.155 13 residues pruned to eliminate duplicates Z: 17 16.816 1.712 0.388 0.918 1.000 0.812 CB 1.247 17 residues pruned to eliminate duplicates Z: 11 7.167 1.830 0.259 0.453 0.700 0.500 N 1.474 11 residues pruned to eliminate duplicates 819 residues left after pruning, divided into chains as follows: A: 22 B: 16 C: 22 D: 21 E: 21 F: 21 G: 19 H: 17 I: 12 J: 19 K: 15 L: 18 M: 18 N: 19 O: 18 P: 16 Q: 35 R: 24 S: 20 T: 19 U: 17 V: 18 W: 17 X: 66 Y: 8 Z: 24 Z: 17 Z: 20 Z: 15 Z: 22 Z: 18 Z: 18 Z: 25 Z: 16 Z: 19 Z: 46 Z: 20 Z: 41 CC for partial structure against native data = 41.97 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.635, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.727, Connect. = 0.749 for dens.mod. cycle 2 = 0.300, Contrast = 0.868, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.886, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.898, Connect. = 0.773 for dens.mod. cycle 5 = 0.300, Contrast = 0.898, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.900, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.898, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.897, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.894, Connect. = 0.776 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2843 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 691 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 25.325 1.941 0.710 0.902 1.000 0.824 CB 1.320 B: 17 22.626 2.027 0.764 0.851 1.000 0.625 CB 1.170 17 residues pruned to eliminate duplicates C: 18 28.033 2.011 0.880 0.913 1.000 0.824 CB 1.273 17 residues pruned to eliminate duplicates D: 20 23.426 2.029 0.366 0.937 1.000 0.842 CB 1.349 E: 20 29.769 1.973 0.715 0.878 1.000 0.895 CB 1.465 F: 15 25.025 1.975 0.765 0.914 1.000 0.857 CB 1.357 G: 17 27.223 1.985 1.073 0.904 1.000 0.625 CB 1.178 H: 18 22.654 2.031 0.813 0.897 0.941 0.412 CB 1.135 I: 17 15.394 1.809 0.324 0.923 1.000 0.875 CB 1.128 J: 18 25.904 1.925 0.565 0.870 1.000 0.882 CB 1.522 16 residues pruned to eliminate duplicates K: 22 22.325 1.943 0.355 0.933 1.000 0.905 CB 1.291 22 residues pruned to eliminate duplicates L: 20 22.289 1.996 0.430 0.895 1.000 0.789 CB 1.285 20 residues pruned to eliminate duplicates M: 17 20.854 1.851 0.587 0.843 1.000 0.812 CB 1.321 N: 16 21.350 1.967 0.618 0.892 0.800 0.667 CB 1.555 O: 24 22.084 1.830 1.029 0.801 0.870 0.696 CB 1.096 18 residues pruned to eliminate duplicates P: 19 23.204 1.849 0.493 0.893 1.000 0.889 CB 1.423 Q: 19 24.387 2.064 0.926 0.910 0.944 0.889 CB 1.085 R: 18 17.028 1.794 0.420 0.909 1.000 1.000 CB 1.150 17 residues pruned to eliminate duplicates S: 20 26.296 1.971 0.831 0.930 0.947 0.842 CB 1.234 T: 19 23.899 1.983 0.999 0.895 0.889 0.611 CB 1.146 20 residues pruned to eliminate duplicates U: 23 22.676 1.807 0.602 0.881 0.955 0.818 CB 1.266 V: 22 26.494 1.938 0.594 0.888 1.000 0.810 CB 1.348 22 residues pruned to eliminate duplicates W: 23 23.476 1.920 0.833 0.882 0.955 0.727 CB 1.078 X: 23 30.926 2.026 0.798 0.943 1.000 0.955 CB 1.254 Y: 22 23.819 1.847 0.677 0.918 1.000 0.905 CB 1.183 Z: 19 23.340 2.011 0.594 0.881 1.000 0.889 CB 1.242 Z: 20 27.281 2.018 0.870 0.903 0.947 0.684 CB 1.247 16 residues pruned to eliminate duplicates Z: 17 26.129 1.893 0.523 0.910 1.000 0.938 O 1.606 17 residues pruned to eliminate duplicates Z: 17 30.726 2.014 0.775 0.894 1.000 0.625 CB 1.542 16 residues pruned to eliminate duplicates Z: 14 21.853 1.915 0.672 0.887 0.923 0.846 CB 1.478 Z: 18 22.535 1.896 0.307 0.929 1.000 1.000 CB 1.543 18 residues pruned to eliminate duplicates Z: 17 23.485 2.027 0.733 0.916 0.938 0.875 CB 1.259 17 residues pruned to eliminate duplicates Z: 16 20.260 1.769 0.925 0.873 0.933 0.800 CB 1.199 16 residues pruned to eliminate duplicates Z: 24 30.153 1.992 0.795 0.913 0.957 0.913 CB 1.301 24 residues pruned to eliminate duplicates Z: 24 24.131 1.834 0.798 0.923 0.913 0.565 CB 1.175 22 residues pruned to eliminate duplicates Z: 20 26.914 1.989 0.745 0.920 0.947 0.789 CB 1.322 20 residues pruned to eliminate duplicates Z: 25 22.873 1.867 0.473 0.833 0.958 0.708 CB 1.329 23 residues pruned to eliminate duplicates Z: 12 14.907 1.910 0.617 0.841 1.000 0.818 CB 1.086 Z: 19 29.384 1.974 0.780 0.924 0.944 0.889 CB 1.466 20 residues pruned to eliminate duplicates Z: 14 22.496 1.882 0.659 0.848 1.000 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 17 26.812 1.986 0.836 0.914 1.000 0.688 CB 1.300 17 residues pruned to eliminate duplicates Z: 20 26.311 2.054 0.500 0.904 1.000 0.895 CB 1.396 20 residues pruned to eliminate duplicates Z: 18 25.957 2.064 0.383 0.933 1.000 0.941 CB 1.540 20 residues pruned to eliminate duplicates Z: 20 25.467 2.045 0.867 0.938 1.000 0.895 CB 1.064 19 residues pruned to eliminate duplicates Z: 21 26.352 1.940 0.759 0.892 0.950 0.750 CB 1.307 12 residues pruned to eliminate duplicates Z: 20 23.907 2.005 0.724 0.912 1.000 0.684 CB 1.124 20 residues pruned to eliminate duplicates Z: 22 22.953 1.806 0.691 0.880 0.952 0.857 CB 1.248 22 residues pruned to eliminate duplicates Z: 16 17.277 1.910 0.263 0.911 1.000 0.933 CB 1.310 Z: 20 25.820 1.978 0.846 0.927 0.895 0.737 CB 1.271 20 residues pruned to eliminate duplicates Z: 14 20.944 1.865 0.646 0.804 0.923 0.615 CB 1.572 14 residues pruned to eliminate duplicates Z: 22 27.886 1.965 0.781 0.885 1.000 0.714 CB 1.255 21 residues pruned to eliminate duplicates Z: 17 18.931 1.888 0.696 0.938 1.000 0.938 CB 1.028 18 residues pruned to eliminate duplicates Z: 18 21.696 1.894 0.396 0.878 1.000 0.941 CB 1.444 18 residues pruned to eliminate duplicates Z: 14 17.334 1.887 0.421 0.869 0.923 0.769 CB 1.419 14 residues pruned to eliminate duplicates Z: 16 20.236 1.892 0.626 0.867 0.933 0.733 CB 1.331 16 residues pruned to eliminate duplicates Z: 18 18.269 1.871 0.424 0.881 0.941 0.765 CB 1.279 Z: 22 27.428 1.879 1.070 0.908 1.000 0.571 CB 1.093 Z: 24 21.789 1.857 0.758 0.917 0.913 0.478 CB 1.076 24 residues pruned to eliminate duplicates Z: 23 26.445 1.991 0.753 0.920 0.955 0.727 CB 1.192 23 residues pruned to eliminate duplicates Z: 22 27.741 2.004 0.625 0.927 1.000 0.667 CB 1.303 23 residues pruned to eliminate duplicates Z: 23 20.017 1.803 0.720 0.823 0.909 0.818 CB 1.144 Z: 24 27.777 1.919 0.806 0.916 0.913 0.783 CB 1.293 23 residues pruned to eliminate duplicates Z: 21 27.777 1.942 1.025 0.888 0.900 0.750 CB 1.264 21 residues pruned to eliminate duplicates Z: 12 15.403 1.860 0.638 0.833 0.818 0.818 CB 1.397 12 residues pruned to eliminate duplicates Z: 19 23.583 2.016 0.550 0.814 0.833 0.667 CB 1.624 19 residues pruned to eliminate duplicates Z: 20 20.833 1.939 0.969 0.945 1.000 0.842 CB 0.866 Z: 25 21.799 1.832 0.713 0.888 0.958 0.667 CB 1.065 23 residues pruned to eliminate duplicates Z: 19 21.393 1.860 0.727 0.921 1.000 0.833 CB 1.105 Z: 20 22.264 1.913 0.717 0.888 1.000 0.737 CB 1.121 19 residues pruned to eliminate duplicates Z: 19 28.333 2.029 0.832 0.943 1.000 0.889 CB 1.246 19 residues pruned to eliminate duplicates Z: 13 17.767 1.930 0.433 0.779 1.000 0.750 CB 1.450 Z: 17 18.921 1.763 0.931 0.897 1.000 0.750 CB 0.995 Z: 17 17.722 1.874 0.398 0.908 1.000 0.750 CB 1.200 16 residues pruned to eliminate duplicates Z: 21 26.604 1.960 0.859 0.913 0.900 0.850 CB 1.285 19 residues pruned to eliminate duplicates Z: 19 22.555 1.924 0.745 0.919 0.889 0.889 CB 1.255 19 residues pruned to eliminate duplicates Z: 19 26.429 1.891 0.960 0.905 0.944 0.611 CB 1.266 19 residues pruned to eliminate duplicates Z: 18 22.582 2.017 0.646 0.881 0.941 0.765 CB 1.269 18 residues pruned to eliminate duplicates Z: 22 25.418 1.910 0.741 0.857 0.952 0.714 CB 1.290 22 residues pruned to eliminate duplicates Z: 19 36.159 2.006 0.823 0.902 1.000 0.611 CB 1.662 20 residues pruned to eliminate duplicates Z: 17 28.482 1.947 0.842 0.913 0.938 0.938 CB 1.499 16 residues pruned to eliminate duplicates Z: 18 14.614 1.786 0.384 0.936 1.000 0.882 CB 0.999 18 residues pruned to eliminate duplicates Z: 18 27.419 2.046 0.702 0.908 1.000 1.000 CB 1.356 20 residues pruned to eliminate duplicates Z: 15 21.296 1.855 0.664 0.860 0.929 0.857 CB 1.460 15 residues pruned to eliminate duplicates Z: 19 19.213 1.790 0.989 0.895 0.944 0.889 CB 0.965 18 residues pruned to eliminate duplicates Z: 14 17.775 1.918 0.403 0.893 0.923 0.846 CB 1.424 14 residues pruned to eliminate duplicates Z: 20 27.231 2.003 0.848 0.948 0.947 0.895 CB 1.230 20 residues pruned to eliminate duplicates Z: 7 4.915 1.500 1.009 0.368 0.833 0.500 N 0.921 Z: 21 28.998 1.935 1.074 0.862 0.900 0.550 CB 1.318 21 residues pruned to eliminate duplicates Z: 19 35.290 1.989 0.955 0.862 1.000 0.556 CB 1.572 19 residues pruned to eliminate duplicates Z: 13 20.585 1.990 0.642 0.870 0.917 0.750 CB 1.447 13 residues pruned to eliminate duplicates Z: 18 25.650 2.075 0.488 0.925 1.000 1.000 CB 1.414 18 residues pruned to eliminate duplicates Z: 18 25.953 1.947 0.603 0.915 1.000 1.000 CB 1.426 13 residues pruned to eliminate duplicates Z: 19 22.628 1.891 0.698 0.893 0.944 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 19 24.118 1.824 0.641 0.855 0.944 0.833 CB 1.485 19 residues pruned to eliminate duplicates Z: 18 26.199 2.087 0.403 0.866 1.000 0.941 CB 1.589 18 residues pruned to eliminate duplicates Z: 13 18.496 1.901 0.599 0.850 0.917 0.583 CB 1.420 13 residues pruned to eliminate duplicates Z: 22 23.794 1.976 0.496 0.884 0.952 0.762 CB 1.333 20 residues pruned to eliminate duplicates Z: 17 22.783 1.885 0.758 0.922 1.000 0.812 CB 1.209 Z: 17 21.186 1.811 1.088 0.889 1.000 0.812 CB 1.008 16 residues pruned to eliminate duplicates Z: 21 23.725 1.948 0.641 0.926 0.950 0.950 CB 1.225 21 residues pruned to eliminate duplicates Z: 11 17.922 2.001 0.610 0.858 0.900 0.700 CB 1.440 11 residues pruned to eliminate duplicates Z: 21 21.432 1.918 0.651 0.887 0.900 0.750 CB 1.212 21 residues pruned to eliminate duplicates Z: 19 19.617 1.999 0.507 0.905 0.944 0.889 CB 1.157 19 residues pruned to eliminate duplicates Z: 15 22.379 1.975 0.698 0.914 0.929 0.857 CB 1.358 15 residues pruned to eliminate duplicates Z: 24 27.174 1.901 0.751 0.922 0.957 0.913 CB 1.250 25 residues pruned to eliminate duplicates Z: 16 34.328 2.067 0.865 0.867 0.933 0.800 CB 1.802 18 residues pruned to eliminate duplicates Z: 23 29.159 1.946 0.813 0.933 1.000 0.682 CB 1.230 24 residues pruned to eliminate duplicates Z: 7 2.703 1.754 0.516 0.495 0.833 0.667 CB 0.501 Z: 15 21.666 1.965 0.687 0.930 1.000 1.000 CB 1.221 Z: 8 7.124 1.826 0.257 0.826 0.857 0.714 CB 1.032 Z: 23 29.177 2.019 0.743 0.934 0.955 0.955 CB 1.291 23 residues pruned to eliminate duplicates Z: 21 22.689 1.940 0.616 0.916 0.950 0.900 CB 1.203 21 residues pruned to eliminate duplicates Z: 19 25.787 2.050 0.749 0.888 0.944 0.611 CB 1.293 19 residues pruned to eliminate duplicates Z: 22 26.119 1.912 1.057 0.870 0.952 0.429 CB 1.111 22 residues pruned to eliminate duplicates Z: 20 19.045 1.776 0.644 0.833 0.947 0.684 CB 1.185 20 residues pruned to eliminate duplicates Z: 23 30.325 1.998 0.933 0.932 1.000 0.773 CB 1.169 23 residues pruned to eliminate duplicates Z: 22 24.831 1.906 0.792 0.928 0.952 0.810 CB 1.166 22 residues pruned to eliminate duplicates Z: 19 34.730 1.989 0.952 0.917 1.000 0.667 CB 1.488 19 residues pruned to eliminate duplicates Z: 21 19.836 1.925 0.995 0.900 0.900 0.600 CB 0.917 21 residues pruned to eliminate duplicates Z: 24 23.380 1.830 0.837 0.916 0.913 0.478 CB 1.122 24 residues pruned to eliminate duplicates Z: 13 25.191 2.100 1.025 0.906 1.000 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 14 18.131 1.878 0.517 0.806 0.923 0.615 CB 1.463 14 residues pruned to eliminate duplicates Z: 17 29.180 1.868 0.933 0.921 1.000 0.625 N 1.422 18 residues pruned to eliminate duplicates Z: 23 25.386 1.958 0.616 0.942 1.000 0.909 CB 1.186 23 residues pruned to eliminate duplicates Z: 18 29.897 1.832 0.822 0.904 1.000 0.882 CB 1.547 18 residues pruned to eliminate duplicates Z: 17 24.910 2.038 0.875 0.911 1.000 0.812 CB 1.156 17 residues pruned to eliminate duplicates Z: 9 2.443 1.386 0.731 0.274 0.625 0.375 N 0.745 Z: 14 23.320 1.857 0.612 0.869 1.000 0.692 O 1.579 13 residues pruned to eliminate duplicates Z: 20 25.904 1.852 0.633 0.942 1.000 1.000 CB 1.363 Z: 7 3.565 1.761 0.534 0.482 0.500 0.333 CB 1.098 7 residues pruned to eliminate duplicates Z: 14 12.819 1.678 0.634 0.890 0.923 0.846 CB 1.011 Z: 19 19.979 1.803 0.859 0.888 0.889 0.778 CB 1.139 19 residues pruned to eliminate duplicates Z: 20 28.245 1.997 1.021 0.904 0.895 0.737 CB 1.278 20 residues pruned to eliminate duplicates Z: 20 22.576 1.921 1.029 0.884 0.947 0.526 CB 1.014 20 residues pruned to eliminate duplicates Z: 13 15.034 1.731 1.047 0.778 0.833 0.667 CB 1.151 13 residues pruned to eliminate duplicates Z: 19 19.224 1.953 1.051 0.947 1.000 0.722 CB 0.782 18 residues pruned to eliminate duplicates Z: 13 22.358 1.961 0.548 0.863 1.000 0.917 CB 1.559 13 residues pruned to eliminate duplicates Z: 22 25.004 2.009 0.674 0.920 0.952 0.762 CB 1.200 22 residues pruned to eliminate duplicates Z: 17 21.946 1.968 0.650 0.842 0.938 0.750 CB 1.343 17 residues pruned to eliminate duplicates Z: 23 25.098 1.839 0.949 0.899 1.000 0.682 CB 1.068 23 residues pruned to eliminate duplicates Z: 22 24.899 1.882 0.726 0.930 1.000 0.667 CB 1.170 22 residues pruned to eliminate duplicates Z: 14 20.980 1.937 0.538 0.920 0.923 0.846 CB 1.490 16 residues pruned to eliminate duplicates Z: 20 20.168 1.933 0.936 0.919 0.947 0.842 CB 0.920 20 residues pruned to eliminate duplicates Z: 13 20.576 1.926 0.647 0.908 0.917 0.750 CB 1.451 13 residues pruned to eliminate duplicates Z: 18 23.427 2.002 0.692 0.884 1.000 0.824 CB 1.212 18 residues pruned to eliminate duplicates Z: 12 14.962 1.766 0.710 0.882 1.000 0.818 CB 1.080 12 residues pruned to eliminate duplicates Z: 11 11.162 1.731 0.563 0.916 1.000 1.000 CB 0.922 11 residues pruned to eliminate duplicates Z: 21 23.994 1.981 0.640 0.941 1.000 0.850 CB 1.146 25 residues pruned to eliminate duplicates Z: 11 16.932 1.906 0.794 0.902 0.900 0.800 CB 1.241 11 residues pruned to eliminate duplicates Z: 16 26.298 1.985 0.786 0.881 1.000 0.800 CB 1.386 15 residues pruned to eliminate duplicates Z: 19 20.109 1.815 0.676 0.904 0.944 0.722 CB 1.175 Z: 10 4.774 1.661 0.439 0.512 0.778 0.444 CB 0.845 Z: 19 31.726 1.970 0.870 0.882 0.944 0.611 CB 1.555 19 residues pruned to eliminate duplicates Z: 21 25.658 1.996 0.591 0.940 0.950 0.850 CB 1.321 21 residues pruned to eliminate duplicates Z: 17 21.911 1.921 0.645 0.905 1.000 0.688 CB 1.234 17 residues pruned to eliminate duplicates Z: 17 22.231 1.895 0.402 0.938 1.000 1.000 CB 1.455 17 residues pruned to eliminate duplicates Z: 34 31.212 1.941 0.885 0.822 0.939 0.667 CB 1.196 39 residues pruned to eliminate duplicates Z: 13 10.919 1.649 0.622 0.833 0.917 0.667 CB 0.965 Z: 12 21.611 2.040 0.664 0.912 1.000 0.909 CB 1.359 12 residues pruned to eliminate duplicates Z: 19 27.673 2.053 0.812 0.875 0.944 0.667 CB 1.350 19 residues pruned to eliminate duplicates Z: 13 16.800 1.894 0.672 0.814 0.833 0.667 CB 1.398 13 residues pruned to eliminate duplicates Z: 20 29.767 1.950 0.822 0.880 0.947 0.474 CB 1.470 20 residues pruned to eliminate duplicates Z: 19 30.080 1.838 0.903 0.913 1.000 0.611 CB 1.434 18 residues pruned to eliminate duplicates Z: 19 21.205 1.863 0.541 0.876 0.944 0.833 CB 1.340 19 residues pruned to eliminate duplicates Z: 16 17.265 1.707 0.590 0.820 1.000 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 11 13.324 1.926 0.629 0.921 1.000 1.000 CB 0.945 Z: 6 6.180 1.709 0.992 0.854 1.000 0.800 CB 0.600 6 residues pruned to eliminate duplicates Z: 18 23.229 1.830 0.738 0.916 1.000 0.706 CB 1.251 Z: 20 25.212 1.803 0.738 0.878 0.895 0.842 N 1.497 20 residues pruned to eliminate duplicates Z: 19 21.280 2.018 0.445 0.851 1.000 0.889 CB 1.273 19 residues pruned to eliminate duplicates Z: 13 10.636 1.845 -0.090 0.919 1.000 0.833 O 1.289 13 residues pruned to eliminate duplicates Z: 20 19.863 1.810 0.458 0.891 0.947 0.632 CB 1.310 20 residues pruned to eliminate duplicates Z: 21 21.149 1.884 0.889 0.846 0.850 0.350 CB 1.162 21 residues pruned to eliminate duplicates Z: 9 17.077 1.875 1.013 0.895 1.000 0.750 CB 1.146 9 residues pruned to eliminate duplicates Z: 20 17.750 1.775 0.395 0.904 1.000 0.632 CB 1.171 20 residues pruned to eliminate duplicates Z: 15 26.371 1.858 1.006 0.858 0.929 0.714 CB 1.500 15 residues pruned to eliminate duplicates Z: 21 29.249 1.966 1.106 0.932 0.950 0.600 CB 1.161 21 residues pruned to eliminate duplicates Z: 10 11.708 1.949 0.713 0.905 1.000 0.889 CB 0.831 10 residues pruned to eliminate duplicates Z: 19 21.326 1.879 0.257 0.904 1.000 0.944 CB 1.516 19 residues pruned to eliminate duplicates Z: 15 19.562 1.918 0.780 0.831 0.929 0.643 CB 1.240 15 residues pruned to eliminate duplicates Z: 15 25.225 1.956 0.891 0.899 1.000 0.929 CB 1.302 15 residues pruned to eliminate duplicates Z: 19 23.227 2.036 0.503 0.900 1.000 0.889 CB 1.278 19 residues pruned to eliminate duplicates Z: 21 20.801 1.979 0.541 0.865 0.950 0.700 CB 1.176 31 residues pruned to eliminate duplicates Z: 18 21.222 1.916 0.262 0.912 1.000 0.941 CB 1.507 18 residues pruned to eliminate duplicates Z: 22 19.904 1.847 0.427 0.910 1.000 0.857 CB 1.169 22 residues pruned to eliminate duplicates Z: 16 17.144 1.931 0.230 0.916 1.000 1.000 CB 1.316 16 residues pruned to eliminate duplicates Z: 19 20.271 1.948 0.473 0.917 1.000 0.889 CB 1.175 19 residues pruned to eliminate duplicates Z: 14 14.755 1.678 0.639 0.856 0.923 0.769 CB 1.188 13 residues pruned to eliminate duplicates Z: 16 14.737 1.879 0.259 0.879 1.000 0.867 CB 1.167 17 residues pruned to eliminate duplicates Z: 18 24.995 2.039 0.614 0.896 1.000 0.824 CB 1.320 18 residues pruned to eliminate duplicates Z: 17 14.639 1.839 0.141 0.883 1.000 0.938 CB 1.261 17 residues pruned to eliminate duplicates Z: 19 21.831 1.887 0.528 0.917 1.000 0.944 CB 1.259 19 residues pruned to eliminate duplicates Z: 15 13.888 1.850 0.374 0.865 1.000 0.643 CB 1.070 15 residues pruned to eliminate duplicates Z: 16 15.986 1.704 0.671 0.852 0.933 0.800 CB 1.149 Z: 15 20.508 1.775 0.717 0.904 1.000 0.714 CB 1.280 16 residues pruned to eliminate duplicates Z: 7 6.499 1.778 0.398 0.864 1.000 0.833 CB 0.782 7 residues pruned to eliminate duplicates Z: 18 18.580 1.881 0.966 0.890 0.882 0.529 CB 0.993 18 residues pruned to eliminate duplicates Z: 16 20.181 1.847 0.592 0.886 1.000 0.733 CB 1.279 15 residues pruned to eliminate duplicates Z: 16 19.061 1.844 0.680 0.922 1.000 0.733 CB 1.118 16 residues pruned to eliminate duplicates Z: 17 18.084 1.826 0.536 0.845 0.938 0.688 CB 1.279 17 residues pruned to eliminate duplicates Z: 14 3.193 1.577 0.199 0.227 0.769 0.462 CB 0.838 Z: 18 21.437 1.881 0.518 0.889 0.941 0.824 CB 1.393 18 residues pruned to eliminate duplicates Z: 15 13.546 1.611 0.425 0.845 0.929 0.571 CB 1.262 Z: 23 19.276 1.858 0.723 0.899 0.909 0.591 CB 1.010 23 residues pruned to eliminate duplicates Z: 19 28.279 1.993 0.659 0.901 1.000 0.778 CB 1.439 19 residues pruned to eliminate duplicates Z: 17 18.161 1.742 1.008 0.865 0.875 0.625 CB 1.087 Z: 18 18.859 1.898 0.479 0.871 0.941 0.882 CB 1.262 17 residues pruned to eliminate duplicates Z: 19 20.145 1.873 0.399 0.919 1.000 0.833 CB 1.277 19 residues pruned to eliminate duplicates Z: 18 22.929 2.053 0.538 0.913 1.000 0.824 CB 1.247 18 residues pruned to eliminate duplicates Z: 22 25.380 1.910 1.032 0.887 0.905 0.524 CB 1.137 22 residues pruned to eliminate duplicates Z: 15 17.351 1.914 0.411 0.918 1.000 0.857 CB 1.211 15 residues pruned to eliminate duplicates Z: 18 20.254 1.862 0.917 0.857 0.941 0.706 CB 1.077 18 residues pruned to eliminate duplicates Z: 14 15.212 1.826 0.576 0.905 1.000 1.000 CB 1.043 14 residues pruned to eliminate duplicates Z: 15 20.660 1.945 1.400 0.942 1.000 0.929 CB 0.821 15 residues pruned to eliminate duplicates Z: 24 17.996 1.795 0.397 0.874 0.957 0.826 CB 1.138 24 residues pruned to eliminate duplicates Z: 16 15.974 1.845 0.155 0.910 1.000 0.933 CB 1.373 16 residues pruned to eliminate duplicates Z: 16 15.569 1.674 0.422 0.920 1.000 1.000 CB 1.189 Z: 18 24.424 1.866 0.713 0.900 1.000 0.706 CB 1.323 17 residues pruned to eliminate duplicates Z: 16 20.752 1.926 0.539 0.911 1.000 0.867 CB 1.282 15 residues pruned to eliminate duplicates Z: 20 21.201 1.804 0.402 0.897 1.000 0.842 CB 1.377 19 residues pruned to eliminate duplicates Z: 21 12.943 1.734 0.435 0.871 0.900 0.800 CB 0.942 Z: 11 18.144 1.892 0.627 0.762 1.000 0.900 CB 1.477 11 residues pruned to eliminate duplicates Z: 19 25.513 1.987 1.055 0.913 0.833 0.667 CB 1.250 19 residues pruned to eliminate duplicates Z: 18 22.101 1.790 0.705 0.865 1.000 0.706 CB 1.286 18 residues pruned to eliminate duplicates Z: 10 8.660 1.973 0.908 0.903 1.000 1.000 CB 0.547 Z: 15 19.307 1.842 0.769 0.850 0.929 0.786 CB 1.262 15 residues pruned to eliminate duplicates Z: 22 23.497 1.861 0.699 0.908 1.000 0.905 CB 1.151 22 residues pruned to eliminate duplicates Z: 19 32.674 2.025 0.648 0.899 1.000 0.889 CB 1.650 19 residues pruned to eliminate duplicates Z: 20 26.593 1.868 0.973 0.863 1.000 0.474 CB 1.214 20 residues pruned to eliminate duplicates Z: 19 21.483 1.884 0.883 0.894 1.000 0.722 CB 1.024 19 residues pruned to eliminate duplicates Z: 16 19.716 1.899 0.466 0.876 0.933 0.733 CB 1.424 18 residues pruned to eliminate duplicates Z: 20 14.627 1.723 0.718 0.831 1.000 0.632 CB 0.852 20 residues pruned to eliminate duplicates Z: 15 14.481 1.833 0.723 0.914 1.000 0.857 CB 0.867 16 residues pruned to eliminate duplicates Z: 7 3.413 1.573 0.138 0.473 0.833 0.333 CB 0.960 Z: 17 22.284 1.949 0.486 0.912 1.000 0.875 CB 1.363 17 residues pruned to eliminate duplicates Z: 21 23.412 2.023 0.518 0.886 0.950 0.700 CB 1.294 21 residues pruned to eliminate duplicates Z: 15 21.188 1.765 0.728 0.866 1.000 0.714 CB 1.359 15 residues pruned to eliminate duplicates Z: 19 16.740 1.936 0.515 0.927 1.000 1.000 CB 0.943 19 residues pruned to eliminate duplicates Z: 22 32.438 1.950 0.848 0.862 1.000 0.762 CB 1.442 22 residues pruned to eliminate duplicates Z: 17 24.795 1.901 0.910 0.902 1.000 0.938 CB 1.218 17 residues pruned to eliminate duplicates Z: 18 14.332 1.810 0.598 0.828 0.882 0.765 CB 1.025 18 residues pruned to eliminate duplicates Z: 18 17.402 1.833 0.321 0.916 1.000 0.882 CB 1.231 18 residues pruned to eliminate duplicates Z: 23 15.403 1.902 0.751 0.574 0.818 0.545 CB 1.122 23 residues pruned to eliminate duplicates Z: 12 6.852 1.850 0.803 0.909 1.000 0.909 CB 0.440 Z: 17 26.610 1.860 0.892 0.918 1.000 0.750 N 1.333 17 residues pruned to eliminate duplicates Z: 17 11.028 1.616 0.353 0.900 1.000 0.812 CB 0.901 17 residues pruned to eliminate duplicates Z: 19 25.064 1.909 0.773 0.878 0.944 0.778 CB 1.341 18 residues pruned to eliminate duplicates Z: 31 17.766 1.740 0.810 0.632 0.867 0.600 CB 1.050 31 residues pruned to eliminate duplicates Z: 19 20.709 1.866 0.447 0.896 1.000 0.722 CB 1.295 19 residues pruned to eliminate duplicates Z: 18 16.964 1.890 0.249 0.866 0.941 0.824 CB 1.355 18 residues pruned to eliminate duplicates Z: 21 29.761 1.921 1.179 0.862 0.900 0.600 CB 1.297 21 residues pruned to eliminate duplicates Z: 9 8.180 1.774 -0.053 0.883 1.000 0.875 CB 1.245 8 residues pruned to eliminate duplicates Z: 14 17.737 1.804 0.740 0.908 1.000 0.923 CB 1.114 14 residues pruned to eliminate duplicates Z: 23 18.888 1.715 0.711 0.896 1.000 0.955 CB 0.984 23 residues pruned to eliminate duplicates Z: 10 11.775 1.951 0.813 0.886 0.889 0.889 CB 0.900 10 residues pruned to eliminate duplicates Z: 18 22.993 1.850 0.593 0.919 1.000 0.824 CB 1.334 18 residues pruned to eliminate duplicates Z: 18 17.085 1.879 0.440 0.847 0.941 0.706 CB 1.209 18 residues pruned to eliminate duplicates Z: 9 2.881 1.440 0.013 0.258 0.875 0.250 CB 1.052 Z: 17 30.383 1.882 0.871 0.867 1.000 0.812 CB 1.578 17 residues pruned to eliminate duplicates Z: 15 14.783 1.631 0.337 0.917 1.000 1.000 O 1.279 13 residues pruned to eliminate duplicates Z: 19 25.653 1.868 0.741 0.859 1.000 0.833 CB 1.368 20 residues pruned to eliminate duplicates Z: 13 24.805 1.884 0.816 0.809 1.000 0.833 CB 1.599 13 residues pruned to eliminate duplicates Z: 18 27.121 2.051 0.776 0.918 0.941 0.882 CB 1.354 18 residues pruned to eliminate duplicates Z: 19 25.026 2.027 0.999 0.931 1.000 0.722 CB 1.018 19 residues pruned to eliminate duplicates Z: 17 19.305 1.953 0.457 0.783 0.938 0.750 CB 1.411 17 residues pruned to eliminate duplicates Z: 17 15.685 1.809 0.728 0.903 1.000 0.750 CB 0.894 17 residues pruned to eliminate duplicates Z: 18 22.397 1.896 0.639 0.909 1.000 0.882 CB 1.240 18 residues pruned to eliminate duplicates Z: 18 18.439 1.816 0.713 0.851 0.882 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 18 14.415 1.712 0.510 0.946 1.000 1.000 CB 0.935 Z: 22 27.170 1.949 1.021 0.900 0.905 0.762 CB 1.189 22 residues pruned to eliminate duplicates Z: 32 18.110 1.798 0.734 0.596 0.806 0.645 CB 1.180 32 residues pruned to eliminate duplicates Z: 18 20.020 1.897 0.481 0.904 0.941 0.941 CB 1.307 18 residues pruned to eliminate duplicates Z: 18 25.397 1.947 0.864 0.806 0.941 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 19 26.733 1.930 0.878 0.883 0.944 0.667 CB 1.332 19 residues pruned to eliminate duplicates Z: 19 29.983 1.860 0.754 0.915 1.000 0.833 CB 1.530 19 residues pruned to eliminate duplicates Z: 16 19.844 1.909 0.804 0.915 0.933 0.733 CB 1.127 16 residues pruned to eliminate duplicates Z: 19 20.198 1.875 0.411 0.855 1.000 0.722 CB 1.328 19 residues pruned to eliminate duplicates Z: 14 18.564 1.781 0.964 0.868 1.000 0.615 CB 1.076 16 residues pruned to eliminate duplicates Z: 8 9.406 1.664 0.517 0.804 0.857 0.571 CB 1.260 8 residues pruned to eliminate duplicates Z: 13 11.801 1.590 0.784 0.884 0.917 0.833 CB 0.947 13 residues pruned to eliminate duplicates Z: 24 21.702 1.854 0.702 0.859 0.870 0.652 CB 1.213 24 residues pruned to eliminate duplicates Z: 20 22.467 1.875 0.409 0.905 1.000 0.947 CB 1.388 20 residues pruned to eliminate duplicates Z: 28 12.268 1.657 0.700 0.690 0.889 0.519 CB 0.792 16 residues pruned to eliminate duplicates Z: 20 20.921 1.847 0.778 0.853 0.895 0.684 CB 1.207 19 residues pruned to eliminate duplicates Z: 24 23.380 1.874 0.557 0.891 0.957 0.696 CB 1.256 24 residues pruned to eliminate duplicates Z: 21 23.518 1.725 0.612 0.921 0.950 0.900 N 1.400 21 residues pruned to eliminate duplicates Z: 18 20.158 1.840 0.739 0.853 0.941 0.882 CB 1.199 18 residues pruned to eliminate duplicates Z: 16 15.855 1.638 0.707 0.870 0.867 0.533 CB 1.233 14 residues pruned to eliminate duplicates Z: 20 14.665 1.753 0.739 0.850 0.895 0.579 CB 0.914 19 residues pruned to eliminate duplicates Z: 7 5.761 1.576 0.296 0.758 0.833 0.500 O 1.099 7 residues pruned to eliminate duplicates Z: 19 21.954 1.934 0.962 0.844 0.778 0.611 CB 1.304 19 residues pruned to eliminate duplicates Z: 20 15.971 1.885 0.418 0.708 0.895 0.789 CB 1.268 20 residues pruned to eliminate duplicates Z: 8 3.243 1.445 0.760 0.213 0.571 0.429 N 1.183 Z: 19 20.707 1.970 0.546 0.849 1.000 0.667 CB 1.188 19 residues pruned to eliminate duplicates Z: 14 17.244 1.887 0.447 0.864 0.923 0.846 CB 1.391 14 residues pruned to eliminate duplicates Z: 13 5.602 1.708 0.480 0.562 0.833 0.500 CB 0.723 7 residues pruned to eliminate duplicates Z: 13 5.358 1.763 0.995 0.902 1.000 0.833 CB 0.314 7 residues pruned to eliminate duplicates Z: 20 21.574 1.961 0.975 0.897 0.895 0.579 CB 1.022 20 residues pruned to eliminate duplicates Z: 18 26.300 1.946 0.713 0.900 1.000 0.647 CB 1.367 18 residues pruned to eliminate duplicates Z: 19 26.377 1.910 0.576 0.922 1.000 0.833 CB 1.453 19 residues pruned to eliminate duplicates Z: 20 25.838 1.912 0.624 0.888 1.000 0.842 CB 1.375 20 residues pruned to eliminate duplicates Z: 25 19.280 1.930 0.914 0.771 0.875 0.625 CB 0.958 25 residues pruned to eliminate duplicates Z: 7 4.517 1.766 0.526 0.283 0.667 0.500 CB 1.311 Z: 11 5.926 1.882 1.029 0.909 1.000 0.800 CB 0.348 Z: 14 15.152 1.922 0.888 0.896 1.000 0.846 CB 0.829 14 residues pruned to eliminate duplicates Z: 21 22.759 1.892 1.163 0.929 1.000 0.800 CB 0.870 21 residues pruned to eliminate duplicates Z: 16 11.473 1.689 0.463 0.883 0.933 0.800 CB 0.928 16 residues pruned to eliminate duplicates Z: 17 21.525 1.806 0.621 0.875 1.000 0.625 CB 1.337 17 residues pruned to eliminate duplicates Z: 18 17.323 1.735 0.846 0.921 1.000 1.000 CB 0.922 18 residues pruned to eliminate duplicates Z: 17 18.347 1.897 0.453 0.866 0.938 0.562 CB 1.299 17 residues pruned to eliminate duplicates Z: 21 21.726 1.873 0.602 0.862 0.950 0.700 CB 1.251 21 residues pruned to eliminate duplicates Z: 18 24.353 1.890 0.569 0.937 1.000 1.000 CB 1.386 18 residues pruned to eliminate duplicates Z: 6 3.623 1.688 0.433 0.787 1.000 0.800 CB 0.520 Z: 17 20.925 1.855 0.639 0.845 0.938 0.562 CB 1.365 17 residues pruned to eliminate duplicates Z: 12 12.439 1.818 0.634 0.875 1.000 0.727 CB 0.919 12 residues pruned to eliminate duplicates Z: 17 28.076 1.978 0.810 0.890 0.938 0.688 CB 1.504 16 residues pruned to eliminate duplicates Z: 8 3.194 1.699 0.270 0.347 0.714 0.714 CB 0.925 Z: 25 25.249 1.842 0.579 0.869 0.958 0.875 CB 1.350 24 residues pruned to eliminate duplicates Z: 16 16.604 1.786 0.415 0.869 0.933 0.867 CB 1.328 16 residues pruned to eliminate duplicates Z: 19 28.994 1.943 0.653 0.886 1.000 0.833 CB 1.535 19 residues pruned to eliminate duplicates Z: 19 25.012 1.827 0.627 0.897 1.000 0.833 CB 1.420 19 residues pruned to eliminate duplicates Z: 12 12.748 1.885 0.712 0.886 1.000 1.000 CB 0.859 11 residues pruned to eliminate duplicates Z: 11 17.254 1.852 0.774 0.822 1.000 0.400 N 1.257 11 residues pruned to eliminate duplicates Z: 14 17.040 1.770 0.639 0.898 0.923 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 15 20.204 1.764 1.096 0.894 0.929 0.714 CB 1.128 13 residues pruned to eliminate duplicates 6 0.884 1.372 0.655 0.114 0.800 0.400 CB 0.355 ? 6 1.096 1.655 -0.430 0.384 0.800 0.400 CB 0.736 ? Z: 19 20.865 1.901 0.937 0.876 1.000 0.611 CB 0.970 19 residues pruned to eliminate duplicates Z: 16 12.967 1.679 0.893 0.494 0.867 0.533 CB 1.222 16 residues pruned to eliminate duplicates Z: 22 28.336 1.929 0.808 0.850 1.000 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 27 21.611 1.832 0.913 0.684 0.885 0.615 CB 1.155 27 residues pruned to eliminate duplicates Z: 7 2.542 1.511 0.208 0.272 0.833 0.500 N 0.883 Z: 13 15.350 1.733 0.787 0.894 1.000 0.750 CB 1.027 13 residues pruned to eliminate duplicates Z: 25 22.281 1.774 0.589 0.871 0.917 0.708 CB 1.283 25 residues pruned to eliminate duplicates Z: 16 27.925 2.041 0.671 0.930 1.000 1.000 CB 1.479 16 residues pruned to eliminate duplicates Z: 15 17.998 1.905 0.689 0.862 0.929 0.857 CB 1.181 15 residues pruned to eliminate duplicates Z: 19 25.484 1.894 0.793 0.877 0.944 0.778 CB 1.361 19 residues pruned to eliminate duplicates Z: 7 4.516 1.948 0.046 0.897 1.000 1.000 CB 0.648 Z: 14 22.650 1.902 1.068 0.905 1.000 0.692 CB 1.136 14 residues pruned to eliminate duplicates Z: 18 20.502 2.000 0.409 0.906 0.941 0.882 CB 1.334 18 residues pruned to eliminate duplicates Z: 6 6.600 1.708 0.712 0.774 0.800 0.800 CB 0.991 6 residues pruned to eliminate duplicates Z: 16 17.532 1.907 0.200 0.905 1.000 0.933 CB 1.408 16 residues pruned to eliminate duplicates Z: 21 27.333 1.914 0.806 0.841 0.950 0.550 CB 1.388 21 residues pruned to eliminate duplicates Z: 6 5.931 1.476 0.481 0.758 1.000 0.600 N 0.964 Z: 17 25.481 1.935 0.688 0.914 1.000 0.938 CB 1.379 16 residues pruned to eliminate duplicates Z: 17 21.007 1.917 0.365 0.925 1.000 1.000 CB 1.408 17 residues pruned to eliminate duplicates Z: 17 25.990 1.871 0.774 0.888 0.938 0.688 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 19.291 1.850 0.867 0.861 0.941 0.882 CB 1.057 11 residues pruned to eliminate duplicates Z: 19 19.327 1.987 0.595 0.828 1.000 0.778 CB 1.083 19 residues pruned to eliminate duplicates Z: 20 19.348 1.911 0.606 0.916 0.947 0.842 CB 1.078 20 residues pruned to eliminate duplicates 6 1.445 1.832 0.606 0.788 0.800 0.800 CB 0.213 ? Z: 20 20.769 1.955 0.940 0.878 1.000 0.632 CB 0.912 20 residues pruned to eliminate duplicates Z: 15 19.560 1.778 0.674 0.910 1.000 0.857 CB 1.246 15 residues pruned to eliminate duplicates Z: 16 15.175 1.666 0.459 0.906 1.000 1.000 CB 1.147 16 residues pruned to eliminate duplicates Z: 7 4.529 1.656 0.541 0.364 0.667 0.500 CB 1.257 Z: 18 22.927 1.854 0.703 0.895 0.941 0.588 CB 1.341 17 residues pruned to eliminate duplicates Z: 22 24.615 1.899 0.767 0.891 1.000 0.810 CB 1.151 20 residues pruned to eliminate duplicates Z: 7 4.510 1.603 0.471 0.400 0.833 0.667 CB 1.041 Z: 19 22.042 1.802 0.551 0.906 1.000 0.889 CB 1.322 19 residues pruned to eliminate duplicates Z: 14 24.879 2.025 0.820 0.884 0.923 0.923 CB 1.465 14 residues pruned to eliminate duplicates Z: 20 26.110 1.843 0.958 0.709 0.947 0.579 CB 1.449 20 residues pruned to eliminate duplicates Z: 20 19.717 1.724 1.152 0.899 1.000 0.789 CB 0.871 18 residues pruned to eliminate duplicates Z: 18 22.656 1.884 0.666 0.861 0.941 0.647 CB 1.367 18 residues pruned to eliminate duplicates Z: 6 6.478 1.555 0.610 0.842 0.800 0.800 O 1.078 6 residues pruned to eliminate duplicates Z: 19 19.692 1.971 0.426 0.932 1.000 0.889 CB 1.153 19 residues pruned to eliminate duplicates Z: 20 25.670 1.881 0.631 0.935 0.947 0.684 CB 1.412 20 residues pruned to eliminate duplicates Z: 19 21.995 1.749 0.695 0.840 1.000 0.667 CB 1.305 18 residues pruned to eliminate duplicates Z: 17 17.550 1.899 0.865 0.894 0.875 0.750 CB 1.016 17 residues pruned to eliminate duplicates Z: 16 9.819 1.677 0.280 0.881 1.000 0.933 CB 0.855 26 residues pruned to eliminate duplicates Z: 12 10.931 1.746 0.626 0.789 0.909 0.818 CB 0.991 12 residues pruned to eliminate duplicates Z: 18 18.486 1.890 0.723 0.777 0.824 0.412 CB 1.309 18 residues pruned to eliminate duplicates Z: 22 28.781 1.805 0.873 0.925 0.952 0.857 CB 1.369 21 residues pruned to eliminate duplicates Z: 19 24.019 1.953 0.677 0.912 0.944 0.944 CB 1.296 19 residues pruned to eliminate duplicates Z: 23 26.596 1.861 0.669 0.895 1.000 0.864 CB 1.308 23 residues pruned to eliminate duplicates Z: 6 10.976 1.694 0.687 0.854 1.000 1.000 CB 1.268 6 residues pruned to eliminate duplicates Z: 21 31.744 1.938 0.963 0.920 1.000 0.700 CB 1.314 21 residues pruned to eliminate duplicates Z: 18 18.715 1.830 0.757 0.839 0.941 0.529 CB 1.120 18 residues pruned to eliminate duplicates 6 -0.163 1.965 0.454 0.858 1.000 1.000 CB-0.019 ? Z: 21 15.564 1.782 0.695 0.699 0.850 0.700 CB 1.131 21 residues pruned to eliminate duplicates Z: 8 5.358 1.534 0.581 0.733 0.857 0.857 CB 0.790 8 residues pruned to eliminate duplicates Z: 13 23.712 1.993 0.772 0.920 1.000 0.917 CB 1.365 13 residues pruned to eliminate duplicates Z: 34 25.112 1.910 0.695 0.793 0.909 0.667 CB 1.148 35 residues pruned to eliminate duplicates Z: 17 16.270 1.653 0.746 0.894 0.938 0.812 CB 1.078 14 residues pruned to eliminate duplicates Z: 17 26.047 1.993 0.808 0.911 1.000 0.938 CB 1.280 18 residues pruned to eliminate duplicates Z: 21 11.018 1.799 0.475 0.447 0.800 0.500 CB 1.225 21 residues pruned to eliminate duplicates Z: 16 12.208 1.719 0.512 0.898 1.000 0.933 CB 0.868 16 residues pruned to eliminate duplicates Z: 9 4.400 1.448 0.493 0.306 0.750 0.375 N 1.190 Z: 23 23.647 1.858 0.740 0.822 0.909 0.636 CB 1.298 21 residues pruned to eliminate duplicates Z: 15 17.862 1.746 0.823 0.902 0.929 0.714 CB 1.153 15 residues pruned to eliminate duplicates Z: 18 24.588 1.858 0.499 0.922 1.000 0.941 CB 1.505 18 residues pruned to eliminate duplicates Z: 7 3.236 1.407 0.499 0.365 0.833 0.667 CB 0.870 Z: 17 10.205 1.717 0.337 0.740 0.875 0.750 CB 1.025 17 residues pruned to eliminate duplicates 7 1.733 1.644 0.722 0.242 0.500 0.333 CB 0.673 ? Z: 6 4.430 1.533 0.262 0.477 0.800 0.600 O 1.310 Z: 54 31.703 1.877 0.664 0.713 0.925 0.660 CB 1.243 52 residues pruned to eliminate duplicates Z: 7 4.764 1.831 0.330 0.808 1.000 0.667 CB 0.610 Z: 24 19.633 1.890 0.646 0.744 0.957 0.783 CB 1.106 24 residues pruned to eliminate duplicates Z: 20 19.109 1.758 0.680 0.857 0.947 0.632 CB 1.155 20 residues pruned to eliminate duplicates Z: 15 15.991 1.876 0.275 0.870 0.929 0.786 CB 1.405 15 residues pruned to eliminate duplicates Z: 20 19.185 1.867 0.786 0.818 1.000 0.579 CB 1.001 19 residues pruned to eliminate duplicates Z: 22 20.494 1.900 0.459 0.903 1.000 0.810 CB 1.150 22 residues pruned to eliminate duplicates Z: 9 4.431 1.459 0.352 0.809 0.750 0.500 CB 0.809 Z: 19 21.914 1.752 0.639 0.914 1.000 0.833 CB 1.273 19 residues pruned to eliminate duplicates Z: 21 16.785 1.901 0.544 0.618 0.850 0.600 CB 1.346 21 residues pruned to eliminate duplicates Z: 20 22.490 1.928 0.500 0.914 1.000 1.000 CB 1.262 20 residues pruned to eliminate duplicates Z: 21 22.880 1.925 0.611 0.921 1.000 0.900 CB 1.161 21 residues pruned to eliminate duplicates Z: 6 5.781 1.685 0.671 0.555 0.800 0.800 N 1.088 Z: 18 19.898 1.881 0.592 0.917 1.000 0.941 CB 1.137 19 residues pruned to eliminate duplicates Z: 6 6.780 1.598 0.675 0.850 1.000 0.800 CB 0.839 Z: 10 8.788 1.665 0.814 0.818 0.778 0.667 CB 0.946 10 residues pruned to eliminate duplicates Z: 19 23.808 1.956 0.677 0.922 0.944 0.889 CB 1.274 19 residues pruned to eliminate duplicates Z: 19 24.629 1.887 0.917 0.921 1.000 0.833 CB 1.129 19 residues pruned to eliminate duplicates Z: 6 3.459 1.412 0.387 0.477 0.800 0.600 CB 1.010 Z: 19 23.077 1.942 0.938 0.858 0.889 0.778 CB 1.197 19 residues pruned to eliminate duplicates Z: 19 17.435 1.822 0.706 0.898 0.944 0.667 CB 1.002 19 residues pruned to eliminate duplicates Z: 6 6.050 1.918 1.060 0.864 1.000 0.600 CB 0.502 6 residues pruned to eliminate duplicates Z: 8 5.947 1.825 1.362 0.885 0.857 0.571 CB 0.439 Z: 16 12.833 1.572 0.492 0.857 0.933 0.667 CB 1.115 16 residues pruned to eliminate duplicates Z: 8 3.966 1.805 0.971 0.891 1.000 0.714 CB 0.303 8 residues pruned to eliminate duplicates Z: 19 20.639 1.976 0.339 0.909 0.944 0.889 CB 1.382 19 residues pruned to eliminate duplicates Z: 24 11.217 1.734 0.673 0.489 0.696 0.435 CB 1.172 22 residues pruned to eliminate duplicates Z: 13 20.748 1.794 1.005 0.862 0.917 0.667 CB 1.334 13 residues pruned to eliminate duplicates Z: 18 16.182 1.807 0.478 0.838 0.941 0.882 CB 1.167 18 residues pruned to eliminate duplicates Z: 16 19.463 1.841 0.680 0.926 1.000 1.000 CB 1.140 16 residues pruned to eliminate duplicates 6 1.825 1.383 -0.089 0.848 1.000 0.800 CB 0.481 ? Z: 9 3.839 1.593 0.464 0.368 0.625 0.375 CB 1.072 9 residues pruned to eliminate duplicates Z: 14 11.697 1.782 0.564 0.717 1.000 0.923 CB 0.957 9 residues pruned to eliminate duplicates Z: 19 22.981 1.867 0.496 0.922 1.000 0.944 CB 1.363 19 residues pruned to eliminate duplicates Z: 16 12.001 1.585 0.263 0.890 1.000 0.733 CB 1.113 16 residues pruned to eliminate duplicates Z: 15 11.111 1.738 0.569 0.835 0.929 0.786 CB 0.879 14 residues pruned to eliminate duplicates Z: 12 9.799 1.782 0.555 0.714 0.727 0.545 CB 1.207 12 residues pruned to eliminate duplicates Z: 17 16.998 1.831 0.383 0.826 0.938 0.875 CB 1.350 17 residues pruned to eliminate duplicates 6 1.427 1.608 0.427 0.796 1.000 0.400 CB 0.215 ? Z: 19 12.769 1.809 0.283 0.653 0.889 0.778 CB 1.265 19 residues pruned to eliminate duplicates Z: 11 15.560 1.747 0.490 0.761 1.000 0.500 CB 1.500 11 residues pruned to eliminate duplicates Z: 8 3.348 1.238 0.298 0.724 0.857 0.429 CB 0.751 Z: 21 19.663 1.935 0.417 0.931 1.000 0.800 CB 1.121 20 residues pruned to eliminate duplicates Z: 17 22.255 1.819 0.709 0.887 0.938 0.688 CB 1.376 17 residues pruned to eliminate duplicates Z: 17 17.923 1.864 0.387 0.823 0.938 0.812 CB 1.397 16 residues pruned to eliminate duplicates Z: 13 15.164 1.640 0.774 0.879 1.000 1.000 CB 1.091 13 residues pruned to eliminate duplicates Z: 9 10.329 1.484 0.585 0.873 1.000 0.750 CB 1.131 9 residues pruned to eliminate duplicates Z: 20 20.039 1.752 0.373 0.893 1.000 0.947 CB 1.371 20 residues pruned to eliminate duplicates Z: 7 2.370 1.297 0.338 0.377 0.833 0.500 O 0.763 Z: 16 22.551 1.950 0.554 0.887 1.000 0.867 CB 1.385 16 residues pruned to eliminate duplicates 8 1.907 1.355 -0.138 0.292 0.857 0.714 CB 0.909 ? Z: 6 2.605 1.759 0.575 0.760 1.000 0.800 CB 0.334 Z: 19 24.581 1.875 0.682 0.888 0.944 0.611 CB 1.401 19 residues pruned to eliminate duplicates Z: 20 23.898 1.815 0.575 0.883 1.000 0.895 CB 1.388 20 residues pruned to eliminate duplicates Z: 20 13.149 1.633 0.506 0.731 0.895 0.526 CB 1.113 20 residues pruned to eliminate duplicates Z: 15 14.222 1.693 0.519 0.839 1.000 0.786 CB 1.103 15 residues pruned to eliminate duplicates Z: 19 27.127 1.937 1.011 0.922 1.000 0.778 CB 1.154 19 residues pruned to eliminate duplicates Z: 17 17.509 2.011 0.525 0.916 1.000 0.875 CB 1.008 17 residues pruned to eliminate duplicates Z: 17 16.925 1.856 0.365 0.903 0.938 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 44 31.517 1.909 0.742 0.764 0.930 0.674 CB 1.229 44 residues pruned to eliminate duplicates Z: 14 14.573 1.737 0.893 0.879 0.692 0.385 CB 1.288 14 residues pruned to eliminate duplicates Z: 18 14.251 1.830 0.233 0.909 1.000 1.000 CB 1.087 18 residues pruned to eliminate duplicates 6 1.815 1.370 0.399 0.300 0.800 0.600 N 0.662 ? Z: 15 14.194 1.618 0.417 0.851 1.000 0.786 O 1.225 15 residues pruned to eliminate duplicates Z: 10 5.779 1.837 0.213 0.535 0.778 0.444 CB 1.074 10 residues pruned to eliminate duplicates Z: 9 15.761 1.942 0.555 0.670 1.000 1.000 CB 1.578 9 residues pruned to eliminate duplicates Z: 18 21.713 1.926 0.448 0.884 1.000 0.824 CB 1.365 25 residues pruned to eliminate duplicates Z: 10 3.723 1.491 0.379 0.320 0.889 0.444 CB 0.829 Z: 19 30.793 1.819 0.793 0.897 1.000 0.833 CB 1.593 18 residues pruned to eliminate duplicates Z: 17 13.339 1.663 0.422 0.837 1.000 0.625 CB 1.054 17 residues pruned to eliminate duplicates Z: 20 28.383 1.876 0.809 0.937 0.947 0.737 CB 1.410 20 residues pruned to eliminate duplicates Z: 18 10.363 1.664 0.542 0.560 0.765 0.412 CB 1.209 18 residues pruned to eliminate duplicates Z: 15 17.477 1.685 0.913 0.875 0.929 0.500 CB 1.135 15 residues pruned to eliminate duplicates Z: 7 5.024 1.679 0.632 0.792 1.000 1.000 CB 0.579 Z: 15 20.833 1.804 0.705 0.890 1.000 0.929 CB 1.302 15 residues pruned to eliminate duplicates Z: 10 5.083 1.770 0.439 0.813 0.889 0.667 CB 0.570 10 residues pruned to eliminate duplicates Z: 21 26.966 1.919 1.010 0.883 1.000 0.600 CB 1.130 21 residues pruned to eliminate duplicates Z: 6 4.756 1.683 0.284 0.549 0.800 0.600 CB 1.173 Z: 9 4.796 1.709 0.263 0.401 0.875 0.500 CB 0.997 Z: 22 18.995 1.847 0.387 0.772 0.952 0.762 CB 1.335 22 residues pruned to eliminate duplicates Z: 10 3.411 1.573 0.360 0.339 0.778 0.444 CB 0.814 Z: 14 7.857 1.763 0.511 0.520 1.000 0.385 CB 0.802 14 residues pruned to eliminate duplicates Z: 8 5.587 1.952 0.314 0.459 0.857 0.857 CB 1.001 4 residues pruned to eliminate duplicates Z: 16 15.807 1.764 0.569 0.833 0.933 0.467 CB 1.185 16 residues pruned to eliminate duplicates Z: 8 5.602 1.631 0.482 0.631 1.000 0.571 CB 0.775 Z: 13 14.341 1.971 0.628 0.696 0.750 0.333 CB 1.438 13 residues pruned to eliminate duplicates Z: 18 19.396 1.850 0.718 0.813 0.882 0.765 CB 1.278 18 residues pruned to eliminate duplicates Z: 6 2.632 1.221 1.106 0.427 0.600 0.600 CB 0.823 Z: 10 7.933 1.692 0.734 0.676 0.889 0.667 CB 0.862 10 residues pruned to eliminate duplicates Z: 22 18.842 1.804 0.627 0.903 1.000 1.000 CB 0.998 22 residues pruned to eliminate duplicates Z: 12 15.526 1.799 0.728 0.768 0.909 0.636 CB 1.307 12 residues pruned to eliminate duplicates Z: 13 14.061 1.656 0.745 0.742 1.000 0.750 CB 1.130 13 residues pruned to eliminate duplicates Z: 10 11.732 1.797 0.953 0.892 1.000 1.000 CB 0.800 10 residues pruned to eliminate duplicates Z: 27 7.760 1.647 0.461 0.281 0.692 0.423 N 1.170 27 residues pruned to eliminate duplicates Z: 14 11.863 1.801 1.023 0.592 0.846 0.615 CB 0.978 14 residues pruned to eliminate duplicates Z: 8 6.632 1.738 0.545 0.642 0.857 0.714 CB 0.954 Z: 20 10.838 1.775 0.314 0.923 1.000 0.947 CB 0.749 20 residues pruned to eliminate duplicates Z: 20 19.471 1.790 0.656 0.768 0.947 0.368 CB 1.255 20 residues pruned to eliminate duplicates Z: 7 4.163 1.643 0.701 0.611 0.833 0.333 CB 0.657 Z: 7 5.639 1.712 0.355 0.876 1.000 0.833 CB 0.721 7 residues pruned to eliminate duplicates 6 1.351 1.715 0.565 0.878 1.000 1.000 CB 0.163 ? Z: 19 14.034 1.862 0.588 0.933 0.944 0.944 CB 0.826 18 residues pruned to eliminate duplicates Z: 22 18.964 1.878 0.489 0.944 1.000 0.905 CB 1.025 22 residues pruned to eliminate duplicates Z: 41 29.793 1.912 0.810 0.746 0.925 0.600 CB 1.181 41 residues pruned to eliminate duplicates Z: 18 20.323 1.834 0.825 0.894 0.941 0.588 CB 1.123 18 residues pruned to eliminate duplicates Z: 9 5.477 1.473 0.468 0.339 0.875 0.625 CB 1.220 Z: 16 17.026 1.822 0.441 0.833 0.933 0.800 CB 1.346 15 residues pruned to eliminate duplicates Z: 13 7.541 1.552 0.313 0.636 0.917 0.750 CB 1.026 13 residues pruned to eliminate duplicates Z: 20 19.476 1.849 0.333 0.912 0.947 0.895 CB 1.355 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 8.201 1.779 0.690 0.574 0.750 0.500 CB 1.198 9 residues pruned to eliminate duplicates Z: 15 11.630 1.902 0.552 0.646 0.786 0.643 CB 1.169 15 residues pruned to eliminate duplicates Z: 14 10.538 1.834 0.597 0.601 1.000 0.615 CB 0.906 11 residues pruned to eliminate duplicates Z: 23 19.971 1.983 0.488 0.790 0.909 0.682 CB 1.230 23 residues pruned to eliminate duplicates Z: 24 18.245 1.946 0.515 0.696 0.826 0.652 CB 1.306 22 residues pruned to eliminate duplicates Z: 24 24.268 1.955 0.677 0.783 0.957 0.652 CB 1.258 24 residues pruned to eliminate duplicates Z: 23 22.916 2.020 0.519 0.838 0.955 0.818 CB 1.247 23 residues pruned to eliminate duplicates Z: 31 21.588 1.921 0.597 0.720 0.933 0.600 CB 1.128 32 residues pruned to eliminate duplicates Z: 66 42.415 1.959 0.949 0.766 0.938 0.708 CB 1.159 67 residues pruned to eliminate duplicates Z: 26 22.119 1.942 0.855 0.745 0.920 0.680 CB 1.072 26 residues pruned to eliminate duplicates Z: 20 20.722 1.955 0.847 0.804 0.895 0.632 CB 1.128 20 residues pruned to eliminate duplicates Z: 28 20.318 1.923 0.637 0.736 0.852 0.593 CB 1.180 28 residues pruned to eliminate duplicates Z: 27 24.601 1.957 0.877 0.725 0.962 0.577 CB 1.115 27 residues pruned to eliminate duplicates Z: 18 24.539 1.902 0.961 0.864 0.941 0.706 CB 1.243 19 residues pruned to eliminate duplicates Z: 19 29.934 2.037 1.010 0.919 0.889 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 26 23.580 1.930 0.817 0.767 0.840 0.680 CB 1.264 25 residues pruned to eliminate duplicates Z: 19 28.220 2.031 0.886 0.922 0.944 0.778 CB 1.293 22 residues pruned to eliminate duplicates Z: 19 27.069 2.004 0.916 0.918 0.944 0.722 CB 1.241 19 residues pruned to eliminate duplicates Z: 26 24.023 1.951 0.797 0.728 0.920 0.600 CB 1.213 26 residues pruned to eliminate duplicates Z: 23 25.875 2.008 0.864 0.819 0.955 0.682 CB 1.171 23 residues pruned to eliminate duplicates Z: 16 23.508 2.012 0.803 0.745 1.000 0.800 CB 1.344 16 residues pruned to eliminate duplicates Z: 17 22.913 1.991 0.747 0.730 0.875 0.750 CB 1.530 17 residues pruned to eliminate duplicates Z: 39 25.294 1.967 0.619 0.660 0.842 0.605 CB 1.320 34 residues pruned to eliminate duplicates Z: 17 26.441 1.958 0.594 0.903 1.000 0.812 CB 1.509 17 residues pruned to eliminate duplicates Z: 16 36.316 2.069 0.934 0.914 1.000 0.933 CB 1.657 23 residues pruned to eliminate duplicates Z: 15 25.528 2.013 0.927 0.834 0.929 0.786 CB 1.419 15 residues pruned to eliminate duplicates Z: 15 24.374 2.026 0.785 0.775 0.929 0.643 CB 1.522 15 residues pruned to eliminate duplicates Z: 15 27.093 1.953 0.886 0.803 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 19 19.315 1.971 0.657 0.702 0.833 0.667 CB 1.392 19 residues pruned to eliminate duplicates Z: 14 27.500 2.064 0.845 0.819 1.000 0.692 CB 1.519 14 residues pruned to eliminate duplicates Z: 15 32.845 2.060 0.761 0.907 1.000 0.929 CB 1.720 15 residues pruned to eliminate duplicates Z: 18 24.110 1.998 0.535 0.780 0.882 0.765 CB 1.688 18 residues pruned to eliminate duplicates Z: 16 31.043 2.049 0.673 0.898 1.000 0.867 CB 1.673 16 residues pruned to eliminate duplicates Z: 19 28.609 1.980 0.839 0.790 0.944 0.667 CB 1.520 19 residues pruned to eliminate duplicates Z: 12 6.874 1.746 0.643 0.670 0.818 0.636 CB 0.754 11 residues pruned to eliminate duplicates Z: 9 12.473 1.970 0.937 0.865 1.000 0.875 CB 0.846 9 residues pruned to eliminate duplicates Z: 13 8.519 1.790 0.529 0.585 0.667 0.583 CB 1.242 12 residues pruned to eliminate duplicates Z: 9 6.625 1.808 0.697 0.849 0.875 0.875 CB 0.647 9 residues pruned to eliminate duplicates Z: 19 9.775 1.723 0.573 0.540 0.833 0.667 CB 0.981 16 residues pruned to eliminate duplicates Z: 19 17.086 1.948 0.633 0.886 1.000 0.889 CB 0.914 19 residues pruned to eliminate duplicates Z: 25 13.100 1.923 0.699 0.546 0.708 0.375 CB 1.104 25 residues pruned to eliminate duplicates Z: 18 10.930 1.785 0.826 0.500 0.882 0.529 CB 0.921 19 residues pruned to eliminate duplicates Z: 16 20.853 1.978 0.982 0.883 0.933 0.733 CB 1.064 16 residues pruned to eliminate duplicates Z: 33 15.717 1.809 0.658 0.554 0.875 0.531 CB 1.005 30 residues pruned to eliminate duplicates Z: 21 23.746 1.990 0.905 0.848 0.950 0.750 CB 1.094 21 residues pruned to eliminate duplicates Z: 44 30.938 1.907 0.826 0.743 0.930 0.605 CB 1.172 43 residues pruned to eliminate duplicates Z: 20 27.322 2.022 0.980 0.923 1.000 0.789 CB 1.100 20 residues pruned to eliminate duplicates Z: 30 25.030 1.998 0.749 0.773 0.931 0.690 CB 1.122 30 residues pruned to eliminate duplicates Z: 25 22.140 1.984 0.802 0.730 0.875 0.542 CB 1.174 25 residues pruned to eliminate duplicates Z: 25 21.164 1.920 0.979 0.760 0.958 0.500 CB 0.942 25 residues pruned to eliminate duplicates Z: 45 26.026 1.868 0.769 0.703 0.909 0.568 CB 1.086 45 residues pruned to eliminate duplicates Z: 22 25.053 2.000 0.965 0.815 1.000 0.667 CB 1.058 22 residues pruned to eliminate duplicates Z: 27 16.666 1.881 0.939 0.692 0.846 0.423 CB 0.888 27 residues pruned to eliminate duplicates Z: 25 22.282 1.928 1.073 0.784 0.875 0.375 CB 1.013 25 residues pruned to eliminate duplicates Z: 19 18.653 1.862 0.595 0.931 1.000 0.833 CB 1.034 20 residues pruned to eliminate duplicates Z: 18 17.866 1.890 0.545 0.934 1.000 1.000 CB 1.035 18 residues pruned to eliminate duplicates Z: 18 18.238 1.875 0.589 0.919 1.000 0.882 CB 1.046 18 residues pruned to eliminate duplicates Z: 9 8.708 1.756 1.174 0.771 0.750 0.750 CB 0.846 9 residues pruned to eliminate duplicates Z: 9 12.468 1.784 1.006 0.690 1.000 0.750 CB 1.035 9 residues pruned to eliminate duplicates Z: 21 17.803 1.859 0.653 0.796 0.900 0.650 CB 1.110 21 residues pruned to eliminate duplicates Z: 21 13.773 1.868 0.386 0.726 0.850 0.650 CB 1.142 21 residues pruned to eliminate duplicates Z: 19 21.963 1.896 0.714 0.897 1.000 0.667 CB 1.140 19 residues pruned to eliminate duplicates Z: 19 19.480 1.902 0.571 0.914 1.000 0.944 CB 1.087 19 residues pruned to eliminate duplicates Z: 20 19.781 1.887 0.623 0.878 0.947 0.737 CB 1.136 20 residues pruned to eliminate duplicates Z: 19 21.908 1.905 0.614 0.892 1.000 0.833 CB 1.206 19 residues pruned to eliminate duplicates Z: 20 19.993 1.887 0.686 0.920 0.947 0.842 CB 1.072 20 residues pruned to eliminate duplicates Z: 19 22.252 1.898 0.682 0.932 1.000 0.944 CB 1.147 19 residues pruned to eliminate duplicates Z: 22 18.727 1.844 0.637 0.783 0.952 0.619 CB 1.108 22 residues pruned to eliminate duplicates Z: 19 19.253 1.901 0.623 0.911 0.944 0.833 CB 1.103 19 residues pruned to eliminate duplicates Z: 22 21.444 1.846 0.646 0.764 1.000 0.762 CB 1.218 19 residues pruned to eliminate duplicates Z: 20 21.918 1.845 0.805 0.913 1.000 0.737 CB 1.069 20 residues pruned to eliminate duplicates Z: 19 20.907 1.847 0.771 0.908 0.944 0.722 CB 1.133 20 residues pruned to eliminate duplicates Z: 20 26.085 1.832 0.870 0.919 1.000 0.842 CB 1.231 19 residues pruned to eliminate duplicates Z: 9 8.050 1.662 0.331 0.832 0.875 0.625 CB 1.104 9 residues pruned to eliminate duplicates Z: 13 7.973 1.604 0.731 0.562 0.833 0.583 CB 0.937 13 residues pruned to eliminate duplicates Z: 19 12.738 1.648 0.651 0.669 0.889 0.722 CB 1.062 19 residues pruned to eliminate duplicates Z: 22 11.418 1.707 0.532 0.821 0.952 0.762 CB 0.757 20 residues pruned to eliminate duplicates Z: 20 12.777 1.765 0.414 0.889 0.947 0.684 CB 0.893 20 residues pruned to eliminate duplicates Z: 17 7.783 1.608 0.677 0.499 0.750 0.625 CB 0.963 17 residues pruned to eliminate duplicates Z: 19 14.013 1.758 0.612 0.855 1.000 0.889 CB 0.861 21 residues pruned to eliminate duplicates Z: 18 12.736 1.820 0.594 0.894 1.000 0.824 CB 0.764 18 residues pruned to eliminate duplicates Z: 23 13.720 1.747 0.702 0.780 0.909 0.727 CB 0.846 23 residues pruned to eliminate duplicates Z: 15 15.603 1.866 0.731 0.938 1.000 1.000 CB 0.898 15 residues pruned to eliminate duplicates Z: 19 13.023 1.821 0.763 0.876 0.944 0.667 CB 0.736 19 residues pruned to eliminate duplicates Z: 23 15.319 1.765 0.661 0.778 1.000 0.818 CB 0.872 23 residues pruned to eliminate duplicates Z: 18 10.425 1.789 0.776 0.504 0.765 0.588 CB 1.036 18 residues pruned to eliminate duplicates Z: 37 18.677 1.781 0.671 0.770 0.944 0.556 CB 0.872 36 residues pruned to eliminate duplicates Z: 21 20.165 1.774 0.689 0.932 1.000 0.800 CB 1.051 22 residues pruned to eliminate duplicates Z: 19 16.420 1.823 0.701 0.944 1.000 0.889 CB 0.864 19 residues pruned to eliminate duplicates Z: 19 12.643 1.823 0.702 0.888 0.944 0.778 CB 0.733 19 residues pruned to eliminate duplicates Z: 22 15.365 1.773 0.540 0.849 0.952 0.810 CB 0.956 22 residues pruned to eliminate duplicates Z: 12 6.992 1.611 0.203 0.477 0.909 0.545 O 1.224 12 residues pruned to eliminate duplicates Z: 14 10.743 1.575 0.455 0.585 0.846 0.538 CB 1.416 14 residues pruned to eliminate duplicates Z: 11 7.576 1.816 0.487 0.473 0.900 0.700 CB 1.013 11 residues pruned to eliminate duplicates Z: 8 6.343 1.592 0.307 0.749 0.857 0.714 CB 1.076 8 residues pruned to eliminate duplicates Z: 13 15.393 1.768 0.564 0.836 1.000 1.000 CB 1.203 13 residues pruned to eliminate duplicates Z: 14 14.330 1.689 0.524 0.769 0.923 0.769 CB 1.319 14 residues pruned to eliminate duplicates Z: 12 14.251 1.745 0.711 0.808 1.000 0.909 CB 1.100 12 residues pruned to eliminate duplicates Z: 16 12.259 1.758 0.701 0.820 0.733 0.667 CB 1.094 16 residues pruned to eliminate duplicates Z: 16 14.504 1.785 0.716 0.885 0.933 0.933 CB 0.946 16 residues pruned to eliminate duplicates Z: 12 13.544 1.774 0.690 0.818 1.000 1.000 CB 1.033 12 residues pruned to eliminate duplicates Z: 11 14.848 1.833 0.894 0.826 1.000 0.800 CB 1.020 11 residues pruned to eliminate duplicates Z: 22 22.007 1.874 0.760 0.869 0.952 0.810 CB 1.116 22 residues pruned to eliminate duplicates Z: 22 23.340 1.840 0.739 0.904 0.952 0.857 CB 1.191 22 residues pruned to eliminate duplicates Z: 17 20.755 1.829 0.818 0.883 0.938 0.812 CB 1.203 16 residues pruned to eliminate duplicates Z: 23 20.973 1.792 0.600 0.911 0.955 0.773 CB 1.158 23 residues pruned to eliminate duplicates Z: 22 24.300 1.821 0.837 0.912 0.952 0.762 CB 1.179 22 residues pruned to eliminate duplicates Z: 18 16.714 1.889 0.840 0.801 0.882 0.824 CB 1.016 18 residues pruned to eliminate duplicates Z: 17 17.984 1.897 0.948 0.725 0.938 0.500 CB 1.059 17 residues pruned to eliminate duplicates Z: 16 15.580 1.912 0.850 0.854 0.867 0.667 CB 0.969 16 residues pruned to eliminate duplicates Z: 38 31.350 1.986 0.744 0.801 0.892 0.676 CB 1.283 38 residues pruned to eliminate duplicates Z: 21 22.155 1.914 0.476 0.824 0.950 0.700 CB 1.395 21 residues pruned to eliminate duplicates Z: 37 34.317 2.000 0.688 0.826 0.972 0.778 CB 1.314 38 residues pruned to eliminate duplicates Z: 19 26.838 1.945 0.543 0.941 1.000 0.833 CB 1.462 19 residues pruned to eliminate duplicates Z: 15 23.405 1.975 0.767 0.790 0.929 0.643 CB 1.496 15 residues pruned to eliminate duplicates Z: 37 30.286 1.936 0.908 0.822 0.917 0.639 CB 1.127 37 residues pruned to eliminate duplicates Z: 41 35.710 1.971 0.748 0.845 0.950 0.775 CB 1.282 43 residues pruned to eliminate duplicates Z: 19 29.693 1.947 0.812 0.924 1.000 0.833 CB 1.393 19 residues pruned to eliminate duplicates Z: 37 32.706 1.983 0.756 0.834 0.944 0.722 CB 1.242 37 residues pruned to eliminate duplicates Z: 40 33.302 1.937 0.728 0.791 0.949 0.692 CB 1.301 40 residues pruned to eliminate duplicates Z: 20 26.794 1.897 0.659 0.901 1.000 0.947 CB 1.395 20 residues pruned to eliminate duplicates Z: 34 15.289 1.762 0.574 0.587 0.788 0.545 CB 1.119 34 residues pruned to eliminate duplicates Z: 43 33.240 1.929 0.729 0.837 0.929 0.738 CB 1.239 43 residues pruned to eliminate duplicates Z: 42 36.014 1.923 0.867 0.828 0.976 0.634 CB 1.209 42 residues pruned to eliminate duplicates Z: 21 26.303 1.908 0.667 0.842 1.000 0.750 CB 1.378 21 residues pruned to eliminate duplicates Z: 41 34.166 1.894 0.874 0.809 0.925 0.625 CB 1.257 41 residues pruned to eliminate duplicates Z: 41 35.542 1.943 0.876 0.846 0.875 0.675 CB 1.309 41 residues pruned to eliminate duplicates Z: 7 8.817 1.834 0.452 0.666 1.000 0.667 CB 1.159 7 residues pruned to eliminate duplicates Z: 17 15.284 1.876 0.363 0.919 1.000 0.938 CB 1.053 17 residues pruned to eliminate duplicates Z: 15 5.390 1.472 0.485 0.447 0.786 0.571 CB 0.886 12 residues pruned to eliminate duplicates Z: 16 15.756 1.854 0.502 0.884 1.000 0.867 CB 1.056 16 residues pruned to eliminate duplicates Z: 17 16.619 1.811 0.588 0.821 1.000 0.875 CB 1.094 17 residues pruned to eliminate duplicates Z: 16 17.796 1.830 0.765 0.852 1.000 0.800 CB 1.052 18 residues pruned to eliminate duplicates Z: 16 18.829 1.886 0.464 0.906 1.000 0.867 CB 1.253 19 residues pruned to eliminate duplicates Z: 18 15.153 1.801 0.381 0.925 0.941 0.882 CB 1.101 18 residues pruned to eliminate duplicates Z: 34 21.558 1.772 0.523 0.734 0.970 0.667 CB 1.163 28 residues pruned to eliminate duplicates Z: 17 17.858 1.859 0.552 0.923 1.000 0.875 CB 1.088 17 residues pruned to eliminate duplicates Z: 20 11.275 1.703 0.340 0.767 0.895 0.684 CB 1.000 20 residues pruned to eliminate duplicates Z: 18 15.864 1.829 0.641 0.831 0.941 0.824 CB 1.023 18 residues pruned to eliminate duplicates Z: 38 23.826 1.758 0.617 0.749 0.973 0.811 CB 1.135 38 residues pruned to eliminate duplicates Z: 17 17.927 1.885 0.587 0.903 1.000 0.938 CB 1.068 17 residues pruned to eliminate duplicates Z: 38 20.942 1.750 0.509 0.747 0.973 0.703 CB 1.074 38 residues pruned to eliminate duplicates Z: 27 20.879 1.893 0.697 0.686 0.808 0.385 CB 1.331 28 residues pruned to eliminate duplicates Z: 17 21.200 1.877 0.633 0.858 0.938 0.812 CB 1.357 17 residues pruned to eliminate duplicates Z: 17 14.053 1.855 0.329 0.774 0.938 0.562 CB 1.194 17 residues pruned to eliminate duplicates Z: 15 19.581 1.953 0.505 0.826 1.000 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 16 13.181 1.859 0.240 0.738 0.933 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 19 18.857 1.842 0.460 0.774 1.000 0.778 CB 1.298 19 residues pruned to eliminate duplicates Z: 19 21.037 1.872 0.545 0.758 0.944 0.667 CB 1.443 19 residues pruned to eliminate duplicates Z: 18 18.955 1.861 0.542 0.832 1.000 0.824 CB 1.203 18 residues pruned to eliminate duplicates Z: 23 20.856 1.844 0.655 0.688 0.909 0.682 CB 1.349 23 residues pruned to eliminate duplicates Z: 19 15.855 1.806 0.527 0.835 0.889 0.556 CB 1.142 19 residues pruned to eliminate duplicates Z: 41 30.189 1.958 0.808 0.786 0.950 0.800 CB 1.104 41 residues pruned to eliminate duplicates Z: 40 32.836 1.966 0.849 0.839 0.949 0.846 CB 1.139 41 residues pruned to eliminate duplicates Z: 20 23.330 1.975 0.564 0.853 0.947 0.842 CB 1.352 20 residues pruned to eliminate duplicates Z: 40 34.272 1.986 0.902 0.815 0.974 0.667 CB 1.134 40 residues pruned to eliminate duplicates Z: 41 30.873 1.983 0.825 0.778 0.900 0.675 CB 1.172 41 residues pruned to eliminate duplicates Z: 40 29.956 1.969 0.831 0.800 0.923 0.667 CB 1.108 39 residues pruned to eliminate duplicates Z: 19 28.868 1.980 0.744 0.895 0.944 0.556 CB 1.496 19 residues pruned to eliminate duplicates Z: 41 30.376 1.967 0.841 0.777 0.925 0.675 CB 1.122 41 residues pruned to eliminate duplicates Z: 21 28.465 2.053 0.932 0.751 0.900 0.550 CB 1.425 21 residues pruned to eliminate duplicates Z: 24 27.026 1.934 0.879 0.709 0.870 0.522 CB 1.476 24 residues pruned to eliminate duplicates Z: 38 38.074 2.018 1.074 0.849 0.946 0.649 CB 1.172 39 residues pruned to eliminate duplicates Z: 18 34.770 2.104 0.787 0.911 0.941 0.706 N 1.689 18 residues pruned to eliminate duplicates Z: 40 33.961 1.982 0.997 0.825 0.923 0.641 CB 1.124 40 residues pruned to eliminate duplicates Z: 20 25.086 2.050 0.782 0.760 0.895 0.316 CB 1.398 20 residues pruned to eliminate duplicates Z: 38 35.626 2.019 0.951 0.847 0.973 0.622 CB 1.134 38 residues pruned to eliminate duplicates Z: 40 31.797 1.984 0.944 0.802 0.923 0.667 CB 1.098 40 residues pruned to eliminate duplicates Z: 39 22.596 1.967 0.822 0.698 0.868 0.632 CB 0.984 39 residues pruned to eliminate duplicates Z: 27 17.409 1.691 0.753 0.641 0.923 0.654 CB 1.093 17 residues pruned to eliminate duplicates Z: 17 20.053 1.776 0.843 0.858 1.000 0.625 CB 1.128 17 residues pruned to eliminate duplicates Z: 14 14.900 1.802 0.705 0.691 0.923 0.538 CB 1.223 14 residues pruned to eliminate duplicates Z: 23 17.235 1.668 0.728 0.641 0.909 0.591 CB 1.229 23 residues pruned to eliminate duplicates Z: 12 19.681 1.844 0.903 0.811 0.909 0.727 CB 1.419 12 residues pruned to eliminate duplicates Z: 12 11.901 1.839 0.885 0.766 0.909 0.727 CB 0.900 12 residues pruned to eliminate duplicates Z: 12 11.175 1.827 0.708 0.747 0.818 0.727 CB 1.058 12 residues pruned to eliminate duplicates Z: 15 17.466 1.819 0.923 0.782 0.929 0.429 CB 1.121 15 residues pruned to eliminate duplicates Z: 15 16.178 1.816 0.777 0.751 0.929 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 13 18.396 1.780 1.066 0.863 0.917 0.667 CB 1.156 13 residues pruned to eliminate duplicates Z: 14 14.816 1.828 1.000 0.783 0.846 0.538 CB 1.035 14 residues pruned to eliminate duplicates Z: 14 13.388 1.834 0.960 0.701 0.692 0.462 CB 1.243 14 residues pruned to eliminate duplicates Z: 9 14.761 1.874 1.163 0.898 1.000 1.000 CB 0.921 9 residues pruned to eliminate duplicates Z: 42 22.079 1.807 0.731 0.671 0.829 0.561 CB 1.135 42 residues pruned to eliminate duplicates Z: 38 25.193 1.877 0.889 0.725 0.892 0.405 CB 1.069 38 residues pruned to eliminate duplicates Z: 46 27.988 1.876 0.814 0.738 0.911 0.711 CB 1.086 46 residues pruned to eliminate duplicates Z: 34 20.700 1.911 0.734 0.681 0.909 0.606 CB 1.013 34 residues pruned to eliminate duplicates Z: 34 23.983 1.939 0.701 0.727 0.939 0.576 CB 1.099 34 residues pruned to eliminate duplicates Z: 44 30.675 1.908 0.898 0.766 0.953 0.628 CB 1.070 44 residues pruned to eliminate duplicates Z: 40 29.642 1.957 0.834 0.795 0.897 0.718 CB 1.138 40 residues pruned to eliminate duplicates Z: 20 21.116 1.813 0.629 0.775 0.947 0.579 CB 1.357 20 residues pruned to eliminate duplicates Z: 40 30.440 1.935 0.899 0.808 0.949 0.692 CB 1.069 40 residues pruned to eliminate duplicates Z: 44 30.712 1.903 0.839 0.765 0.907 0.605 CB 1.167 44 residues pruned to eliminate duplicates Z: 45 30.430 1.884 0.853 0.742 0.932 0.636 CB 1.136 45 residues pruned to eliminate duplicates Z: 45 30.137 1.900 0.871 0.746 0.909 0.614 CB 1.128 45 residues pruned to eliminate duplicates Z: 40 27.663 1.823 0.819 0.720 0.923 0.641 CB 1.186 40 residues pruned to eliminate duplicates Z: 61 34.112 1.859 0.796 0.734 0.933 0.583 CB 1.145 61 residues pruned to eliminate duplicates Z: 32 26.063 1.903 0.815 0.721 0.903 0.613 CB 1.229 32 residues pruned to eliminate duplicates Z: 7 4.077 1.661 0.388 0.438 0.833 0.667 CB 0.924 7 residues pruned to eliminate duplicates Z: 18 12.794 1.801 0.482 0.578 0.882 0.529 CB 1.223 18 residues pruned to eliminate duplicates Z: 13 21.931 2.005 0.728 0.863 1.000 0.917 CB 1.340 13 residues pruned to eliminate duplicates Z: 20 22.352 1.930 0.571 0.815 0.895 0.632 CB 1.438 20 residues pruned to eliminate duplicates Z: 15 13.601 1.924 0.646 0.709 0.786 0.714 CB 1.208 15 residues pruned to eliminate duplicates Z: 36 32.028 1.967 0.822 0.803 0.886 0.657 CB 1.309 37 residues pruned to eliminate duplicates Z: 19 25.349 1.925 0.745 0.857 1.000 0.722 CB 1.311 19 residues pruned to eliminate duplicates Z: 33 29.608 1.953 0.839 0.788 0.938 0.562 CB 1.207 33 residues pruned to eliminate duplicates Z: 37 31.782 1.984 0.722 0.808 0.944 0.722 CB 1.256 37 residues pruned to eliminate duplicates Z: 37 29.877 1.951 0.797 0.786 0.917 0.750 CB 1.205 37 residues pruned to eliminate duplicates Z: 25 20.032 1.829 0.649 0.616 0.875 0.667 CB 1.389 25 residues pruned to eliminate duplicates Z: 18 27.211 2.016 0.664 0.870 1.000 0.824 CB 1.437 18 residues pruned to eliminate duplicates Z: 39 30.563 1.929 0.819 0.767 0.974 0.711 CB 1.146 39 residues pruned to eliminate duplicates Z: 38 31.260 1.972 0.749 0.823 0.946 0.703 CB 1.190 38 residues pruned to eliminate duplicates Z: 38 32.021 1.928 0.970 0.782 0.919 0.595 CB 1.177 37 residues pruned to eliminate duplicates Z: 19 21.694 1.884 0.648 0.800 0.889 0.611 CB 1.425 19 residues pruned to eliminate duplicates Z: 20 25.824 1.932 0.840 0.794 1.000 0.579 CB 1.288 20 residues pruned to eliminate duplicates Z: 8 7.554 1.967 0.399 0.745 1.000 0.857 CB 0.834 8 residues pruned to eliminate duplicates Z: 12 4.674 1.720 0.451 0.466 0.818 0.636 CB 0.714 12 residues pruned to eliminate duplicates Z: 12 7.432 1.739 0.303 0.710 0.727 0.636 CB 1.124 12 residues pruned to eliminate duplicates Z: 9 10.442 1.857 0.511 0.885 1.000 0.750 CB 0.950 9 residues pruned to eliminate duplicates Z: 32 12.651 1.661 0.472 0.624 0.903 0.581 CB 0.915 32 residues pruned to eliminate duplicates Z: 36 17.470 1.744 0.792 0.767 0.914 0.686 CB 0.816 36 residues pruned to eliminate duplicates Z: 16 10.818 1.636 0.407 0.616 0.933 0.533 CB 1.166 16 residues pruned to eliminate duplicates Z: 33 15.232 1.733 0.728 0.710 0.969 0.656 CB 0.767 33 residues pruned to eliminate duplicates Z: 15 13.791 1.749 0.643 0.778 1.000 0.643 CB 1.004 15 residues pruned to eliminate duplicates Z: 8 6.808 1.669 0.983 0.705 0.857 0.286 CB 0.753 8 residues pruned to eliminate duplicates Z: 16 16.607 1.801 0.857 0.809 1.000 0.533 CB 0.979 16 residues pruned to eliminate duplicates Z: 17 12.908 1.638 0.904 0.622 0.938 0.250 CB 0.983 17 residues pruned to eliminate duplicates Z: 19 15.968 1.751 0.618 0.842 0.944 0.722 CB 1.048 19 residues pruned to eliminate duplicates Z: 19 14.520 1.760 0.630 0.744 0.944 0.389 CB 1.015 19 residues pruned to eliminate duplicates Z: 7 11.178 1.650 0.752 0.790 1.000 0.833 CB 1.224 8 residues pruned to eliminate duplicates Z: 19 18.797 1.703 0.747 0.899 1.000 0.778 CB 1.064 19 residues pruned to eliminate duplicates Z: 13 20.322 2.069 0.645 0.698 0.917 0.917 CB 1.569 13 residues pruned to eliminate duplicates Z: 16 15.357 1.906 0.583 0.574 0.800 0.533 CB 1.529 16 residues pruned to eliminate duplicates Z: 17 20.742 1.989 0.855 0.676 0.875 0.562 N 1.366 17 residues pruned to eliminate duplicates Z: 44 33.002 1.936 0.830 0.798 0.907 0.628 CB 1.206 44 residues pruned to eliminate duplicates Z: 37 32.394 1.967 0.866 0.766 0.917 0.639 CB 1.267 35 residues pruned to eliminate duplicates Z: 20 24.398 1.822 0.742 0.926 1.000 0.895 CB 1.236 20 residues pruned to eliminate duplicates Z: 11 25.922 2.172 0.952 0.874 0.900 0.600 CB 1.564 11 residues pruned to eliminate duplicates Z: 44 33.585 1.954 0.802 0.796 0.930 0.698 CB 1.206 44 residues pruned to eliminate duplicates Z: 20 21.173 1.876 0.594 0.865 0.947 0.579 CB 1.256 20 residues pruned to eliminate duplicates Z: 43 34.216 1.924 0.825 0.791 0.929 0.667 CB 1.254 43 residues pruned to eliminate duplicates Z: 44 38.299 1.927 0.880 0.808 0.977 0.814 CB 1.262 45 residues pruned to eliminate duplicates Z: 41 37.003 1.903 0.827 0.858 0.950 0.575 CB 1.305 41 residues pruned to eliminate duplicates Z: 50 27.265 1.811 0.764 0.711 0.878 0.449 CB 1.147 50 residues pruned to eliminate duplicates Z: 19 16.921 1.925 0.617 0.680 0.889 0.556 CB 1.222 19 residues pruned to eliminate duplicates Z: 40 28.761 1.925 0.849 0.739 0.897 0.667 CB 1.164 40 residues pruned to eliminate duplicates Z: 8 7.268 1.726 0.342 0.722 1.000 1.000 CB 0.970 8 residues pruned to eliminate duplicates Z: 29 13.965 1.626 0.624 0.604 0.929 0.536 CB 0.976 26 residues pruned to eliminate duplicates Z: 17 18.112 1.596 0.896 0.860 0.938 0.500 CB 1.173 17 residues pruned to eliminate duplicates Z: 17 20.590 1.621 0.787 0.914 1.000 0.500 CB 1.257 16 residues pruned to eliminate duplicates Z: 17 18.033 1.569 0.904 0.907 0.938 0.750 CB 1.144 17 residues pruned to eliminate duplicates Z: 12 11.897 1.663 0.736 0.846 0.909 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 13 14.413 1.642 0.716 0.770 1.000 0.583 CB 1.163 13 residues pruned to eliminate duplicates Z: 12 13.965 1.722 0.802 0.785 0.818 0.545 CB 1.291 12 residues pruned to eliminate duplicates Z: 13 16.076 1.658 0.728 0.825 1.000 0.500 N 1.223 13 residues pruned to eliminate duplicates Z: 13 14.310 1.616 0.782 0.831 0.917 0.500 CB 1.175 13 residues pruned to eliminate duplicates Z: 13 16.022 1.652 0.847 0.856 0.917 0.667 CB 1.220 13 residues pruned to eliminate duplicates Z: 17 15.424 1.563 0.940 0.766 0.938 0.812 CB 1.072 17 residues pruned to eliminate duplicates Z: 15 19.083 1.612 0.977 0.889 0.929 0.643 CB 1.241 15 residues pruned to eliminate duplicates Z: 30 21.841 1.672 0.927 0.773 0.862 0.517 CB 1.147 30 residues pruned to eliminate duplicates Z: 17 16.175 1.559 1.057 0.842 0.938 0.688 CB 1.002 17 residues pruned to eliminate duplicates Z: 15 11.975 1.641 0.381 0.790 1.000 0.643 CB 1.095 13 residues pruned to eliminate duplicates Z: 17 13.973 1.673 0.325 0.866 1.000 0.812 CB 1.154 17 residues pruned to eliminate duplicates Z: 16 12.940 1.629 0.381 0.844 1.000 0.800 CB 1.105 16 residues pruned to eliminate duplicates Z: 16 13.658 1.682 0.496 0.884 0.933 0.867 CB 1.084 16 residues pruned to eliminate duplicates Z: 14 14.268 1.744 0.342 0.915 1.000 0.846 CB 1.195 14 residues pruned to eliminate duplicates Z: 21 9.230 1.690 0.263 0.639 0.850 0.600 CB 0.999 21 residues pruned to eliminate duplicates Z: 13 13.490 1.731 0.454 0.902 1.000 0.750 CB 1.103 13 residues pruned to eliminate duplicates Z: 16 11.460 1.672 0.381 0.719 1.000 0.667 CB 1.051 16 residues pruned to eliminate duplicates Z: 12 9.717 1.699 0.283 0.834 1.000 0.909 CB 1.008 12 residues pruned to eliminate duplicates Z: 16 11.755 1.669 0.384 0.839 1.000 0.933 CB 0.982 16 residues pruned to eliminate duplicates Z: 15 13.813 1.672 0.537 0.849 0.929 0.714 CB 1.147 15 residues pruned to eliminate duplicates Z: 19 8.390 1.701 0.381 0.586 0.778 0.667 CB 0.997 19 residues pruned to eliminate duplicates Z: 19 11.115 1.660 0.260 0.697 0.944 0.667 CB 1.109 19 residues pruned to eliminate duplicates Z: 30 13.149 1.658 0.440 0.605 0.828 0.621 CB 1.118 28 residues pruned to eliminate duplicates Z: 16 12.943 1.615 0.772 0.801 1.000 0.400 CB 0.898 16 residues pruned to eliminate duplicates Z: 35 17.949 1.677 0.515 0.729 0.912 0.676 CB 1.082 34 residues pruned to eliminate duplicates Z: 16 12.903 1.750 0.356 0.796 0.933 0.733 CB 1.161 16 residues pruned to eliminate duplicates Z: 15 9.146 1.749 0.179 0.560 0.857 0.643 CB 1.305 15 residues pruned to eliminate duplicates Z: 20 8.771 1.683 0.127 0.562 0.842 0.474 CB 1.187 20 residues pruned to eliminate duplicates Z: 12 9.198 1.610 0.109 0.713 1.000 0.727 CB 1.281 12 residues pruned to eliminate duplicates Z: 12 6.562 1.728 0.317 0.446 0.636 0.364 CB 1.444 12 residues pruned to eliminate duplicates Z: 9 9.637 1.809 0.376 0.607 0.875 0.875 CB 1.413 9 residues pruned to eliminate duplicates Z: 20 10.933 1.670 0.339 0.604 0.842 0.737 CB 1.207 20 residues pruned to eliminate duplicates Z: 16 12.055 1.762 0.358 0.698 0.933 0.533 CB 1.163 16 residues pruned to eliminate duplicates Z: 14 11.142 1.669 0.419 0.765 0.846 0.692 CB 1.218 14 residues pruned to eliminate duplicates Z: 14 14.392 1.721 0.548 0.793 0.923 0.692 CB 1.256 14 residues pruned to eliminate duplicates Z: 12 13.754 1.683 0.610 0.851 1.000 0.818 CB 1.133 12 residues pruned to eliminate duplicates Z: 14 18.077 1.688 0.705 0.909 1.000 0.923 CB 1.236 14 residues pruned to eliminate duplicates Z: 13 15.405 1.673 0.652 0.850 1.000 0.583 CB 1.191 13 residues pruned to eliminate duplicates Z: 12 11.031 1.454 0.592 0.806 1.000 0.727 CB 1.100 12 residues pruned to eliminate duplicates Z: 27 18.292 1.854 0.569 0.761 0.808 0.731 CB 1.210 27 residues pruned to eliminate duplicates Z: 19 18.867 1.851 0.567 0.736 1.000 0.556 CB 1.241 21 residues pruned to eliminate duplicates Z: 17 15.146 1.786 0.484 0.857 0.938 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 20 21.358 1.840 0.771 0.783 0.947 0.579 CB 1.238 20 residues pruned to eliminate duplicates Z: 17 14.375 1.812 0.788 0.673 0.938 0.625 CB 1.009 17 residues pruned to eliminate duplicates Z: 27 19.460 1.893 0.455 0.750 0.923 0.654 CB 1.201 27 residues pruned to eliminate duplicates Z: 34 27.085 1.858 0.554 0.808 0.939 0.667 CB 1.329 35 residues pruned to eliminate duplicates Z: 23 28.856 1.938 0.660 0.923 1.000 0.727 CB 1.343 23 residues pruned to eliminate duplicates Z: 8 10.720 1.820 0.669 0.756 1.000 0.714 CB 1.062 8 residues pruned to eliminate duplicates Z: 24 17.787 1.942 0.486 0.716 0.870 0.609 CB 1.216 24 residues pruned to eliminate duplicates Z: 20 25.366 1.970 0.755 0.922 0.947 0.789 CB 1.249 20 residues pruned to eliminate duplicates Z: 20 21.063 1.960 0.735 0.848 0.895 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 17 21.428 1.939 0.691 0.814 0.938 0.750 CB 1.327 17 residues pruned to eliminate duplicates Z: 28 23.457 1.873 0.812 0.657 0.926 0.593 CB 1.242 28 residues pruned to eliminate duplicates Z: 20 29.520 2.005 0.793 0.888 1.000 0.789 CB 1.357 20 residues pruned to eliminate duplicates Z: 21 22.439 1.968 0.695 0.808 0.900 0.800 CB 1.278 21 residues pruned to eliminate duplicates Z: 18 24.714 2.007 1.050 0.832 0.941 0.706 CB 1.162 18 residues pruned to eliminate duplicates Z: 17 18.160 1.945 0.915 0.797 0.875 0.750 CB 1.074 17 residues pruned to eliminate duplicates Z: 33 28.317 1.915 0.897 0.792 0.812 0.656 CB 1.313 35 residues pruned to eliminate duplicates Z: 24 25.418 1.818 0.890 0.884 0.957 0.522 CB 1.165 24 residues pruned to eliminate duplicates Z: 22 30.382 1.895 1.106 0.914 0.952 0.619 CB 1.233 22 residues pruned to eliminate duplicates Z: 20 18.513 1.794 0.852 0.798 0.895 0.579 CB 1.101 20 residues pruned to eliminate duplicates Z: 12 9.089 1.725 0.812 0.657 0.909 0.818 CB 0.834 12 residues pruned to eliminate duplicates Z: 13 12.377 1.933 0.885 0.742 0.917 0.833 CB 0.861 13 residues pruned to eliminate duplicates Z: 9 7.119 1.657 1.020 0.670 1.000 0.500 CB 0.643 9 residues pruned to eliminate duplicates Z: 39 13.763 1.838 0.670 0.484 0.816 0.579 CB 0.906 39 residues pruned to eliminate duplicates Z: 17 11.148 1.758 0.906 0.708 0.875 0.750 CB 0.786 14 residues pruned to eliminate duplicates Z: 21 15.951 1.854 0.922 0.879 0.950 0.750 CB 0.765 23 residues pruned to eliminate duplicates Z: 20 19.665 1.933 0.994 0.937 1.000 0.842 CB 0.815 20 residues pruned to eliminate duplicates Z: 20 19.361 1.947 1.014 0.869 1.000 0.632 CB 0.828 20 residues pruned to eliminate duplicates Z: 22 14.866 1.876 0.841 0.776 0.857 0.619 CB 0.859 22 residues pruned to eliminate duplicates Z: 25 18.171 1.962 0.818 0.723 0.917 0.667 CB 0.927 25 residues pruned to eliminate duplicates Z: 21 19.923 1.929 0.989 0.814 0.950 0.750 CB 0.930 21 residues pruned to eliminate duplicates Z: 25 15.959 1.862 0.967 0.732 0.875 0.708 CB 0.825 25 residues pruned to eliminate duplicates Z: 22 21.068 1.974 1.262 0.836 1.000 0.619 CB 0.771 22 residues pruned to eliminate duplicates Z: 23 18.858 1.983 0.918 0.796 0.955 0.864 CB 0.854 23 residues pruned to eliminate duplicates Z: 23 19.992 1.957 0.954 0.788 0.955 0.818 CB 0.906 23 residues pruned to eliminate duplicates Z: 21 18.951 1.851 1.278 0.823 0.950 0.650 CB 0.800 21 residues pruned to eliminate duplicates Z: 33 25.787 1.968 0.993 0.765 0.875 0.781 CB 1.050 33 residues pruned to eliminate duplicates Z: 23 17.176 1.746 1.184 0.812 0.909 0.682 CB 0.805 23 residues pruned to eliminate duplicates Z: 18 18.491 2.004 0.490 0.913 1.000 0.941 CB 1.064 18 residues pruned to eliminate duplicates Z: 21 14.670 1.966 0.450 0.768 0.900 0.750 CB 1.008 21 residues pruned to eliminate duplicates Z: 12 11.824 1.753 0.560 0.724 0.909 0.636 CB 1.171 12 residues pruned to eliminate duplicates Z: 34 20.604 1.945 0.627 0.643 0.818 0.515 CB 1.212 33 residues pruned to eliminate duplicates Z: 19 22.845 1.913 0.714 0.929 1.000 0.889 CB 1.149 19 residues pruned to eliminate duplicates Z: 18 22.290 2.021 0.745 0.883 0.941 0.824 CB 1.178 19 residues pruned to eliminate duplicates Z: 17 22.711 2.011 0.956 0.852 0.938 0.750 CB 1.139 17 residues pruned to eliminate duplicates Z: 38 31.639 1.961 0.810 0.796 0.892 0.703 CB 1.268 38 residues pruned to eliminate duplicates Z: 18 31.799 2.057 1.082 0.913 1.000 0.882 CB 1.275 18 residues pruned to eliminate duplicates Z: 20 24.934 2.031 0.943 0.834 0.895 0.789 CB 1.215 20 residues pruned to eliminate duplicates Z: 18 28.330 2.007 0.967 0.936 1.000 0.882 CB 1.213 18 residues pruned to eliminate duplicates Z: 23 20.375 1.938 0.747 0.770 0.909 0.682 CB 1.112 23 residues pruned to eliminate duplicates Z: 18 28.065 2.035 0.998 0.927 1.000 0.824 CB 1.173 18 residues pruned to eliminate duplicates Z: 17 27.842 2.049 0.940 0.928 1.000 0.875 CB 1.226 17 residues pruned to eliminate duplicates Z: 20 21.167 2.000 0.969 0.773 0.895 0.789 CB 1.083 20 residues pruned to eliminate duplicates Z: 20 22.456 2.038 0.835 0.770 0.947 0.632 CB 1.145 20 residues pruned to eliminate duplicates Z: 28 18.304 1.929 0.749 0.580 0.852 0.704 CB 1.135 28 residues pruned to eliminate duplicates Z: 16 13.639 1.710 0.585 0.867 1.000 0.733 CB 0.950 17 residues pruned to eliminate duplicates Z: 19 15.787 1.664 0.968 0.777 0.944 0.611 CB 0.942 19 residues pruned to eliminate duplicates Z: 17 17.477 1.716 0.887 0.822 0.875 0.688 CB 1.166 17 residues pruned to eliminate duplicates Z: 13 17.927 1.776 0.980 0.916 1.000 0.833 CB 1.039 13 residues pruned to eliminate duplicates Z: 18 15.604 1.647 0.879 0.846 0.941 0.706 CB 0.965 18 residues pruned to eliminate duplicates Z: 15 14.201 1.769 0.911 0.799 0.929 0.643 CB 0.931 15 residues pruned to eliminate duplicates Z: 33 19.960 1.799 0.793 0.777 0.906 0.719 CB 0.945 32 residues pruned to eliminate duplicates Z: 13 16.251 1.805 1.025 0.913 0.917 0.917 CB 0.991 13 residues pruned to eliminate duplicates Z: 14 14.681 1.767 0.777 0.855 0.923 0.615 CB 1.037 14 residues pruned to eliminate duplicates Z: 31 22.817 1.873 0.821 0.768 0.900 0.700 CB 1.071 32 residues pruned to eliminate duplicates Z: 6 4.638 1.485 0.743 0.754 0.800 0.600 CB 0.799 Z: 20 13.715 1.599 0.615 0.803 1.000 0.684 CB 0.935 20 residues pruned to eliminate duplicates Z: 18 10.431 1.703 0.750 0.661 0.765 0.588 CB 0.956 22 residues pruned to eliminate duplicates Z: 17 16.037 1.634 0.901 0.888 0.938 0.500 CB 0.992 17 residues pruned to eliminate duplicates Z: 6 2.880 1.406 0.545 0.530 0.600 0.200 O 0.960 6 residues pruned to eliminate duplicates Z: 13 13.891 1.951 0.586 0.895 0.917 0.750 CB 1.014 13 residues pruned to eliminate duplicates Z: 18 10.879 1.818 0.389 0.715 0.765 0.588 CB 1.124 14 residues pruned to eliminate duplicates Z: 13 13.509 1.910 0.602 0.873 0.917 0.667 CB 1.013 17 residues pruned to eliminate duplicates Z: 17 21.658 1.893 0.685 0.898 1.000 0.688 CB 1.214 18 residues pruned to eliminate duplicates Z: 18 18.192 1.896 0.602 0.858 0.941 0.882 CB 1.136 18 residues pruned to eliminate duplicates Z: 16 18.006 1.871 0.556 0.941 1.000 1.000 CB 1.108 16 residues pruned to eliminate duplicates Z: 20 15.099 1.851 0.457 0.815 0.895 0.632 CB 1.091 20 residues pruned to eliminate duplicates Z: 20 14.246 1.832 0.487 0.666 0.947 0.737 CB 1.086 20 residues pruned to eliminate duplicates Z: 18 12.960 1.839 0.426 0.746 0.882 0.706 CB 1.090 18 residues pruned to eliminate duplicates Z: 23 15.505 1.844 0.636 0.715 0.909 0.727 CB 0.992 17 residues pruned to eliminate duplicates Z: 17 15.866 1.890 0.494 0.834 0.875 0.875 CB 1.203 17 residues pruned to eliminate duplicates Z: 35 26.968 1.849 0.879 0.752 0.912 0.559 CB 1.166 53 residues pruned to eliminate duplicates Z: 18 18.399 1.876 0.658 0.842 0.941 0.824 CB 1.136 18 residues pruned to eliminate duplicates Z: 22 17.366 1.823 0.558 0.785 0.905 0.810 CB 1.148 22 residues pruned to eliminate duplicates Z: 23 16.270 1.816 0.611 0.743 0.909 0.864 CB 1.049 23 residues pruned to eliminate duplicates Z: 20 18.138 1.857 0.685 0.829 0.895 0.737 CB 1.118 20 residues pruned to eliminate duplicates Z: 7 7.378 1.712 0.598 0.783 0.833 0.667 CB 1.030 7 residues pruned to eliminate duplicates Z: 8 15.369 1.745 1.025 0.829 1.000 1.000 CB 1.237 8 residues pruned to eliminate duplicates Z: 9 8.515 1.660 0.877 0.613 1.000 0.875 CB 0.868 9 residues pruned to eliminate duplicates Z: 10 6.772 1.625 0.772 0.535 0.889 0.556 CB 0.852 10 residues pruned to eliminate duplicates Z: 16 14.361 1.815 0.487 0.915 1.000 1.000 CB 0.971 16 residues pruned to eliminate duplicates Z: 16 16.305 1.809 0.607 0.918 1.000 1.000 CB 1.021 16 residues pruned to eliminate duplicates Z: 14 14.297 1.896 0.473 0.918 1.000 0.923 CB 1.001 14 residues pruned to eliminate duplicates Z: 13 15.533 1.875 0.571 0.899 1.000 1.000 CB 1.088 13 residues pruned to eliminate duplicates Z: 14 13.528 1.870 0.595 0.915 1.000 1.000 CB 0.889 14 residues pruned to eliminate duplicates Z: 19 14.826 1.827 0.721 0.788 0.944 0.889 CB 0.913 19 residues pruned to eliminate duplicates Z: 8 7.493 1.855 0.760 0.847 0.857 0.571 CB 0.751 8 residues pruned to eliminate duplicates Z: 17 15.831 1.815 1.111 0.866 0.938 0.812 CB 0.806 17 residues pruned to eliminate duplicates Z: 19 14.212 1.819 0.871 0.777 0.889 0.833 CB 0.867 19 residues pruned to eliminate duplicates Z: 15 16.000 1.839 1.014 0.922 1.000 0.786 CB 0.812 15 residues pruned to eliminate duplicates Z: 16 15.052 1.704 0.957 0.893 1.000 0.667 CB 0.836 16 residues pruned to eliminate duplicates Z: 6 2.907 1.704 0.583 0.685 0.400 0.200 CB 1.017 5 residues pruned to eliminate duplicates Z: 9 10.702 1.787 1.142 0.808 0.875 0.625 CB 0.863 9 residues pruned to eliminate duplicates Z: 10 11.382 1.799 0.972 0.774 0.889 0.333 CB 0.944 10 residues pruned to eliminate duplicates Z: 8 8.818 1.788 1.176 0.750 0.714 0.429 CB 0.959 8 residues pruned to eliminate duplicates Z: 10 9.209 1.800 0.889 0.848 1.000 0.444 CB 0.669 10 residues pruned to eliminate duplicates Z: 19 12.983 1.796 0.750 0.835 0.889 0.833 CB 0.821 19 residues pruned to eliminate duplicates Z: 14 16.424 1.788 1.068 0.852 1.000 0.846 CB 0.911 14 residues pruned to eliminate duplicates Z: 10 14.228 1.947 0.762 0.875 1.000 0.889 CB 1.005 10 residues pruned to eliminate duplicates Z: 9 19.895 1.944 1.034 0.909 1.000 1.000 CB 1.262 9 residues pruned to eliminate duplicates Z: 17 16.917 1.805 0.952 0.862 0.938 0.500 CB 0.940 17 residues pruned to eliminate duplicates Z: 9 15.079 1.925 1.065 0.904 1.000 0.875 CB 0.956 9 residues pruned to eliminate duplicates Z: 8 13.450 1.987 1.037 0.908 0.857 0.714 CB 1.041 8 residues pruned to eliminate duplicates Z: 15 9.407 1.782 0.616 0.518 0.786 0.357 CB 1.092 15 residues pruned to eliminate duplicates Z: 34 23.194 1.865 0.652 0.747 0.909 0.667 CB 1.156 36 residues pruned to eliminate duplicates Z: 11 10.362 1.768 1.060 0.698 0.800 0.300 CB 0.939 11 residues pruned to eliminate duplicates Z: 29 19.540 1.880 0.605 0.740 0.893 0.714 CB 1.105 29 residues pruned to eliminate duplicates Z: 24 13.244 1.874 0.519 0.687 0.870 0.478 CB 0.940 24 residues pruned to eliminate duplicates Z: 37 20.467 1.828 0.640 0.724 0.889 0.611 CB 1.046 37 residues pruned to eliminate duplicates Z: 18 20.157 1.979 0.427 0.864 1.000 0.882 CB 1.269 18 residues pruned to eliminate duplicates Z: 16 15.193 1.870 0.483 0.781 0.933 0.933 CB 1.183 16 residues pruned to eliminate duplicates Z: 19 20.656 1.910 0.511 0.830 0.944 0.833 CB 1.343 19 residues pruned to eliminate duplicates Z: 34 23.961 1.872 0.678 0.748 0.879 0.515 CB 1.211 34 residues pruned to eliminate duplicates Z: 22 14.357 1.827 0.482 0.619 0.952 0.619 CB 1.085 22 residues pruned to eliminate duplicates Z: 13 10.241 1.930 0.452 0.579 0.833 0.500 CB 1.173 13 residues pruned to eliminate duplicates Z: 20 23.020 1.918 0.705 0.802 0.947 0.737 CB 1.309 20 residues pruned to eliminate duplicates Z: 22 19.641 1.868 0.584 0.733 0.905 0.667 CB 1.299 22 residues pruned to eliminate duplicates Z: 27 22.868 1.916 0.686 0.748 0.885 0.615 CB 1.258 27 residues pruned to eliminate duplicates Z: 47 21.301 1.835 0.608 0.596 0.826 0.587 CB 1.176 45 residues pruned to eliminate duplicates Z: 19 17.656 1.842 0.322 0.895 1.000 0.889 CB 1.225 19 residues pruned to eliminate duplicates Z: 22 16.677 1.890 0.637 0.699 0.762 0.571 CB 1.287 22 residues pruned to eliminate duplicates Z: 21 20.895 1.934 0.573 0.746 0.950 0.750 CB 1.297 21 residues pruned to eliminate duplicates Z: 19 22.322 1.928 0.703 0.821 1.000 0.889 CB 1.213 19 residues pruned to eliminate duplicates Z: 25 18.108 1.817 0.732 0.645 0.875 0.583 CB 1.172 25 residues pruned to eliminate duplicates Z: 37 19.243 1.845 0.495 0.623 0.861 0.694 CB 1.202 37 residues pruned to eliminate duplicates Z: 22 15.820 1.898 0.462 0.702 0.905 0.762 CB 1.144 22 residues pruned to eliminate duplicates Z: 21 17.394 1.916 0.537 0.738 0.950 0.700 CB 1.122 21 residues pruned to eliminate duplicates Z: 15 11.221 1.921 0.627 0.538 0.857 0.357 CB 1.079 15 residues pruned to eliminate duplicates Z: 8 3.912 1.895 0.147 0.353 0.857 0.714 CB 0.931 8 residues pruned to eliminate duplicates Z: 6 2.233 2.048 0.614 0.471 0.600 0.400 CB 0.519 6 residues pruned to eliminate duplicates Z: 23 27.034 1.992 0.787 0.792 0.955 0.636 CB 1.313 23 residues pruned to eliminate duplicates Z: 18 11.419 1.930 0.459 0.314 0.882 0.647 CB 1.370 18 residues pruned to eliminate duplicates Z: 29 12.494 1.800 0.559 0.449 0.821 0.464 CB 1.080 29 residues pruned to eliminate duplicates Z: 18 15.480 1.882 0.802 0.555 0.882 0.471 CB 1.189 18 residues pruned to eliminate duplicates Z: 18 10.171 1.797 0.661 0.511 0.882 0.471 CB 0.927 18 residues pruned to eliminate duplicates Z: 37 22.830 1.932 0.578 0.679 0.917 0.667 CB 1.155 37 residues pruned to eliminate duplicates Z: 19 12.686 1.934 0.589 0.717 0.778 0.611 CB 1.028 19 residues pruned to eliminate duplicates Z: 19 14.465 1.933 0.601 0.567 0.944 0.611 CB 1.093 19 residues pruned to eliminate duplicates Z: 36 14.152 1.802 0.462 0.422 0.800 0.429 CB 1.230 36 residues pruned to eliminate duplicates Z: 14 18.177 1.949 0.809 0.814 0.769 0.462 CB 1.415 14 residues pruned to eliminate duplicates Z: 18 22.315 1.983 0.887 0.697 0.824 0.529 CB 1.467 18 residues pruned to eliminate duplicates Z: 22 25.013 1.977 1.032 0.662 0.952 0.667 CB 1.228 22 residues pruned to eliminate duplicates Z: 49 27.390 1.923 0.879 0.703 0.896 0.458 CB 1.015 49 residues pruned to eliminate duplicates Z: 17 20.963 1.993 0.853 0.763 0.875 0.562 CB 1.284 17 residues pruned to eliminate duplicates Z: 13 24.003 1.982 1.237 0.818 0.833 0.417 CB 1.424 13 residues pruned to eliminate duplicates Z: 21 22.935 1.984 0.898 0.631 0.850 0.450 CB 1.417 21 residues pruned to eliminate duplicates Z: 24 20.443 1.973 0.975 0.728 0.870 0.522 CB 1.025 24 residues pruned to eliminate duplicates Z: 15 14.233 1.853 0.648 0.569 0.857 0.357 CB 1.359 15 residues pruned to eliminate duplicates Z: 17 23.214 1.952 1.024 0.846 0.875 0.562 CB 1.247 17 residues pruned to eliminate duplicates Z: 17 24.754 1.957 0.983 0.885 0.938 0.750 CB 1.228 17 residues pruned to eliminate duplicates Z: 24 26.230 2.021 0.954 0.801 0.957 0.696 CB 1.113 24 residues pruned to eliminate duplicates 6 1.811 1.737 0.221 0.286 0.600 0.000 CB 0.810 ? Z: 25 15.429 1.870 0.879 0.558 0.667 0.500 CB 1.271 25 residues pruned to eliminate duplicates Z: 16 15.745 1.850 0.241 0.799 0.933 0.933 O 1.460 16 residues pruned to eliminate duplicates Z: 6 2.015 1.702 -0.084 0.170 0.800 0.200 CB 1.078 6 residues pruned to eliminate duplicates 7 1.499 1.554 0.212 0.083 0.667 0.333 CB 0.835 ? Z: 9 4.461 1.698 0.587 0.433 0.750 0.500 CB 0.836 9 residues pruned to eliminate duplicates Z: 12 4.576 1.513 0.406 0.443 0.727 0.364 CB 0.946 12 residues pruned to eliminate duplicates Z: 8 4.803 1.524 0.226 0.545 0.857 0.571 CB 1.085 8 residues pruned to eliminate duplicates Z: 20 14.161 1.708 0.457 0.746 0.947 0.684 CB 1.106 20 residues pruned to eliminate duplicates Z: 20 15.877 1.742 0.558 0.654 0.947 0.632 CB 1.228 20 residues pruned to eliminate duplicates Z: 19 17.228 1.837 0.498 0.709 1.000 0.722 CB 1.220 19 residues pruned to eliminate duplicates Z: 14 11.434 1.707 0.442 0.758 0.846 0.846 CB 1.210 14 residues pruned to eliminate duplicates Z: 12 12.214 1.750 0.499 0.765 1.000 0.727 CB 1.110 12 residues pruned to eliminate duplicates Z: 15 13.367 1.807 0.467 0.726 0.929 0.643 CB 1.183 15 residues pruned to eliminate duplicates Z: 22 20.183 1.891 0.553 0.728 0.952 0.810 CB 1.283 22 residues pruned to eliminate duplicates Z: 18 22.609 1.944 0.730 0.946 1.000 1.000 CB 1.127 19 residues pruned to eliminate duplicates Z: 23 27.881 1.990 0.759 0.920 0.955 0.909 CB 1.252 23 residues pruned to eliminate duplicates Z: 24 26.353 2.000 0.663 0.827 0.913 0.826 CB 1.364 23 residues pruned to eliminate duplicates Z: 23 28.827 1.964 0.798 0.943 1.000 0.955 CB 1.206 24 residues pruned to eliminate duplicates Z: 22 25.135 1.949 0.819 0.918 1.000 0.714 CB 1.091 22 residues pruned to eliminate duplicates Z: 35 31.676 2.015 0.628 0.780 0.941 0.676 CB 1.374 35 residues pruned to eliminate duplicates Z: 35 33.739 2.041 0.706 0.811 0.912 0.794 CB 1.391 35 residues pruned to eliminate duplicates Z: 28 26.054 1.924 0.836 0.823 0.926 0.852 CB 1.158 28 residues pruned to eliminate duplicates Z: 33 21.809 1.803 0.680 0.681 0.844 0.500 CB 1.277 33 residues pruned to eliminate duplicates Z: 31 23.498 1.838 0.702 0.676 0.900 0.767 CB 1.296 31 residues pruned to eliminate duplicates Z: 23 27.307 1.950 0.801 0.847 0.955 0.773 CB 1.290 23 residues pruned to eliminate duplicates Z: 29 24.941 1.944 0.820 0.787 0.893 0.714 CB 1.159 29 residues pruned to eliminate duplicates Z: 25 30.895 1.948 0.869 0.870 1.000 0.833 CB 1.264 25 residues pruned to eliminate duplicates Z: 36 32.385 2.013 0.857 0.784 0.943 0.857 CB 1.210 36 residues pruned to eliminate duplicates Z: 11 19.670 1.994 0.762 0.801 1.000 0.700 CB 1.361 11 residues pruned to eliminate duplicates Z: 12 17.576 1.920 0.690 0.769 0.909 0.636 CB 1.416 12 residues pruned to eliminate duplicates Z: 11 17.480 1.940 0.710 0.779 1.000 0.500 CB 1.302 11 residues pruned to eliminate duplicates Z: 58 33.106 1.873 0.790 0.681 0.877 0.561 CB 1.263 54 residues pruned to eliminate duplicates Z: 17 21.297 1.833 0.653 0.899 1.000 0.750 CB 1.257 17 residues pruned to eliminate duplicates Z: 20 15.199 1.846 0.761 0.568 0.842 0.368 CB 1.193 20 residues pruned to eliminate duplicates Z: 12 15.339 1.892 0.581 0.761 0.818 0.727 CB 1.498 12 residues pruned to eliminate duplicates Z: 13 22.435 1.942 0.965 0.851 0.917 0.667 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 26.806 1.943 0.969 0.836 1.000 0.714 CB 1.401 16 residues pruned to eliminate duplicates Z: 16 26.084 1.964 0.966 0.875 0.933 0.867 CB 1.359 15 residues pruned to eliminate duplicates Z: 16 22.315 1.959 0.889 0.857 0.867 0.667 CB 1.324 16 residues pruned to eliminate duplicates Z: 23 15.315 1.809 0.548 0.590 0.909 0.545 CB 1.176 23 residues pruned to eliminate duplicates Z: 22 17.529 1.826 0.491 0.699 0.905 0.476 CB 1.295 22 residues pruned to eliminate duplicates Z: 6 3.912 1.485 0.767 0.589 0.800 0.400 CB 0.765 5 residues pruned to eliminate duplicates Z: 18 26.136 1.815 0.970 0.899 1.000 0.882 CB 1.267 17 residues pruned to eliminate duplicates Z: 18 20.502 1.945 0.338 0.874 1.000 0.765 CB 1.390 17 residues pruned to eliminate duplicates Z: 22 25.335 1.995 0.411 0.920 1.000 0.810 CB 1.382 22 residues pruned to eliminate duplicates Z: 20 22.475 2.003 0.386 0.911 1.000 0.895 CB 1.316 20 residues pruned to eliminate duplicates Z: 24 11.821 1.835 0.314 0.565 0.957 0.565 CB 1.003 24 residues pruned to eliminate duplicates Z: 23 11.222 1.785 0.405 0.563 0.864 0.682 CB 1.039 23 residues pruned to eliminate duplicates Z: 56 23.597 1.849 0.672 0.619 0.800 0.345 CB 1.150 55 residues pruned to eliminate duplicates Z: 20 26.097 2.037 0.504 0.943 1.000 0.947 CB 1.354 20 residues pruned to eliminate duplicates Z: 43 30.064 1.905 0.664 0.802 0.952 0.595 CB 1.180 43 residues pruned to eliminate duplicates Z: 17 22.861 1.971 0.919 0.810 0.938 0.688 CB 1.231 17 residues pruned to eliminate duplicates Z: 22 17.989 1.892 0.686 0.707 1.000 0.619 CB 1.019 22 residues pruned to eliminate duplicates Z: 20 25.548 2.021 0.642 0.900 0.947 0.895 CB 1.332 20 residues pruned to eliminate duplicates Z: 22 22.293 1.953 0.596 0.815 0.952 0.714 CB 1.247 22 residues pruned to eliminate duplicates Z: 30 21.971 1.834 0.800 0.684 0.897 0.621 CB 1.164 30 residues pruned to eliminate duplicates Z: 23 21.839 1.956 0.733 0.822 0.909 0.682 CB 1.143 23 residues pruned to eliminate duplicates Z: 20 28.121 2.033 0.931 0.895 0.947 0.684 CB 1.243 20 residues pruned to eliminate duplicates Z: 28 19.837 1.859 0.776 0.732 0.889 0.630 CB 1.056 28 residues pruned to eliminate duplicates Z: 22 24.358 1.944 0.937 0.820 0.857 0.429 CB 1.247 22 residues pruned to eliminate duplicates Z: 20 29.487 2.007 0.879 0.906 0.947 0.579 CB 1.347 20 residues pruned to eliminate duplicates Z: 35 20.083 1.848 0.543 0.643 0.853 0.529 CB 1.240 18 residues pruned to eliminate duplicates Z: 15 21.632 1.867 0.726 0.834 0.929 0.714 CB 1.448 13 residues pruned to eliminate duplicates Z: 15 18.420 1.829 0.848 0.765 0.857 0.500 CB 1.344 15 residues pruned to eliminate duplicates Z: 16 15.502 1.897 0.562 0.610 0.867 0.467 CB 1.405 16 residues pruned to eliminate duplicates Z: 17 18.339 1.854 0.536 0.685 0.938 0.500 CB 1.449 17 residues pruned to eliminate duplicates Z: 20 15.936 1.830 0.554 0.622 0.842 0.526 CB 1.360 20 residues pruned to eliminate duplicates Z: 16 15.015 1.891 0.467 0.732 0.867 0.733 CB 1.308 16 residues pruned to eliminate duplicates Z: 16 17.227 1.880 0.491 0.722 0.933 0.733 CB 1.392 16 residues pruned to eliminate duplicates Z: 16 18.579 1.892 0.617 0.690 0.933 0.600 CB 1.412 17 residues pruned to eliminate duplicates Z: 15 23.277 1.877 0.785 0.861 0.929 0.643 CB 1.469 14 residues pruned to eliminate duplicates Z: 14 24.634 1.925 0.707 0.824 1.000 0.769 CB 1.571 14 residues pruned to eliminate duplicates Z: 17 20.007 1.863 0.732 0.732 0.938 0.625 CB 1.342 17 residues pruned to eliminate duplicates Z: 14 21.028 1.822 0.824 0.735 0.923 0.538 O 1.539 14 residues pruned to eliminate duplicates Z: 17 17.544 1.918 0.661 0.856 0.875 0.625 CB 1.160 17 residues pruned to eliminate duplicates 8 1.538 1.534 -0.039 0.486 0.571 0.143 N 0.700 ? Z: 21 25.669 2.000 0.622 0.884 0.950 0.850 CB 1.346 21 residues pruned to eliminate duplicates Z: 20 16.160 1.822 0.497 0.737 0.947 0.684 CB 1.160 19 residues pruned to eliminate duplicates Z: 22 26.399 1.964 0.667 0.918 0.952 0.810 CB 1.302 22 residues pruned to eliminate duplicates Z: 18 20.862 1.890 0.782 0.885 0.882 0.824 CB 1.229 18 residues pruned to eliminate duplicates Z: 24 25.755 1.966 0.600 0.744 0.957 0.696 CB 1.435 24 residues pruned to eliminate duplicates Z: 22 18.033 1.931 0.724 0.717 0.857 0.619 CB 1.133 22 residues pruned to eliminate duplicates Z: 23 24.087 1.936 0.573 0.826 0.955 0.773 CB 1.332 23 residues pruned to eliminate duplicates Z: 21 23.825 1.909 0.611 0.874 1.000 0.700 CB 1.261 21 residues pruned to eliminate duplicates Z: 20 22.150 1.917 0.628 0.823 1.000 0.684 CB 1.230 20 residues pruned to eliminate duplicates Z: 19 22.292 1.925 0.704 0.839 0.889 0.722 CB 1.346 19 residues pruned to eliminate duplicates Z: 21 21.720 1.826 0.919 0.787 0.850 0.700 CB 1.267 21 residues pruned to eliminate duplicates Z: 24 23.349 1.917 0.736 0.754 0.870 0.696 CB 1.341 24 residues pruned to eliminate duplicates Z: 23 25.131 1.998 0.748 0.774 0.864 0.727 CB 1.394 23 residues pruned to eliminate duplicates Z: 36 22.147 1.882 0.599 0.680 0.829 0.600 CB 1.273 36 residues pruned to eliminate duplicates Z: 22 27.390 1.884 0.846 0.799 0.905 0.810 CB 1.463 22 residues pruned to eliminate duplicates Z: 22 25.518 2.000 0.890 0.857 0.857 0.714 CB 1.266 22 residues pruned to eliminate duplicates Z: 26 21.757 1.940 0.740 0.714 0.880 0.640 CB 1.207 26 residues pruned to eliminate duplicates Z: 41 36.799 1.963 0.771 0.843 0.975 0.800 CB 1.277 42 residues pruned to eliminate duplicates Z: 18 22.227 1.922 0.326 0.902 1.000 0.882 CB 1.508 18 residues pruned to eliminate duplicates Z: 35 26.717 1.927 0.373 0.772 1.000 0.912 CB 1.361 35 residues pruned to eliminate duplicates Z: 18 17.557 1.942 0.087 0.853 1.000 0.882 CB 1.492 18 residues pruned to eliminate duplicates Z: 107 42.248 1.882 0.654 0.718 0.906 0.594 CB 1.195 107 residues pruned to eliminate duplicates Z: 19 18.376 1.868 0.313 0.813 1.000 0.889 CB 1.345 19 residues pruned to eliminate duplicates Z: 21 15.418 1.858 0.320 0.738 0.900 0.800 CB 1.262 21 residues pruned to eliminate duplicates Z: 18 17.484 1.912 0.272 0.796 0.882 0.765 CB 1.524 18 residues pruned to eliminate duplicates Z: 15 14.808 1.904 0.218 0.746 0.929 0.857 CB 1.474 15 residues pruned to eliminate duplicates Z: 18 21.870 1.924 0.431 0.844 1.000 0.824 CB 1.434 18 residues pruned to eliminate duplicates Z: 36 26.258 1.882 0.538 0.729 0.971 0.600 CB 1.284 36 residues pruned to eliminate duplicates Z: 21 18.796 1.866 0.425 0.732 1.000 0.800 CB 1.283 21 residues pruned to eliminate duplicates Z: 20 21.873 1.878 0.444 0.792 1.000 0.684 CB 1.432 20 residues pruned to eliminate duplicates Z: 23 18.496 1.843 0.432 0.664 0.955 0.773 CB 1.345 23 residues pruned to eliminate duplicates Z: 18 18.381 1.923 0.590 0.833 0.882 0.706 CB 1.240 18 residues pruned to eliminate duplicates Z: 35 25.610 1.870 0.812 0.738 0.853 0.353 CB 1.228 35 residues pruned to eliminate duplicates Z: 25 19.123 1.731 0.635 0.744 0.917 0.625 CB 1.209 25 residues pruned to eliminate duplicates Z: 6 4.583 1.403 0.284 0.690 0.800 0.600 N 1.195 Z: 18 24.127 1.811 0.712 0.902 1.000 0.765 CB 1.347 21 residues pruned to eliminate duplicates Z: 18 25.433 1.821 0.868 0.908 0.941 0.765 CB 1.369 17 residues pruned to eliminate duplicates Z: 14 18.798 1.880 0.635 0.898 0.923 0.846 CB 1.315 14 residues pruned to eliminate duplicates Z: 20 19.913 1.937 0.557 0.769 0.947 0.842 CB 1.260 20 residues pruned to eliminate duplicates Z: 61 36.279 1.897 0.705 0.745 0.933 0.667 CB 1.246 61 residues pruned to eliminate duplicates Z: 35 25.540 1.908 0.554 0.741 0.941 0.676 CB 1.265 35 residues pruned to eliminate duplicates Z: 13 22.438 1.968 0.865 0.837 1.000 0.833 CB 1.320 13 residues pruned to eliminate duplicates Z: 32 24.641 1.898 0.671 0.687 0.935 0.581 CB 1.257 32 residues pruned to eliminate duplicates Z: 94 39.883 1.872 0.751 0.703 0.914 0.613 CB 1.147 94 residues pruned to eliminate duplicates Z: 15 24.375 1.941 0.684 0.885 1.000 0.857 CB 1.439 15 residues pruned to eliminate duplicates Z: 21 17.407 1.911 0.527 0.702 0.900 0.800 CB 1.233 23 residues pruned to eliminate duplicates Z: 17 27.939 1.955 0.799 0.873 0.938 0.938 CB 1.542 15 residues pruned to eliminate duplicates Z: 17 27.766 1.938 0.811 0.916 1.000 0.938 CB 1.397 17 residues pruned to eliminate duplicates Z: 40 28.268 1.915 0.582 0.757 0.897 0.795 CB 1.324 41 residues pruned to eliminate duplicates Z: 15 25.772 2.031 0.769 0.914 1.000 0.929 CB 1.356 15 residues pruned to eliminate duplicates Z: 25 15.970 1.882 0.476 0.689 0.750 0.583 CB 1.317 25 residues pruned to eliminate duplicates Z: 10 5.025 1.643 0.389 0.468 0.667 0.444 CB 1.137 10 residues pruned to eliminate duplicates Z: 9 6.490 1.642 0.695 0.818 0.750 0.375 CB 0.834 9 residues pruned to eliminate duplicates Z: 29 20.572 1.890 0.734 0.729 0.786 0.643 CB 1.228 29 residues pruned to eliminate duplicates Z: 12 8.755 1.673 0.446 0.667 0.909 0.182 CB 1.028 12 residues pruned to eliminate duplicates Z: 22 21.861 1.957 0.535 0.906 0.905 0.619 CB 1.249 22 residues pruned to eliminate duplicates Z: 26 23.322 1.939 0.677 0.799 0.920 0.640 CB 1.200 26 residues pruned to eliminate duplicates Z: 22 21.941 1.969 0.650 0.801 0.905 0.667 CB 1.252 22 residues pruned to eliminate duplicates Z: 25 22.191 1.960 0.573 0.852 0.917 0.708 CB 1.186 25 residues pruned to eliminate duplicates Z: 23 23.368 1.961 0.636 0.873 0.955 0.682 CB 1.185 23 residues pruned to eliminate duplicates Z: 25 23.979 1.952 0.652 0.847 0.917 0.708 CB 1.229 25 residues pruned to eliminate duplicates Z: 24 25.212 1.945 0.643 0.840 0.957 0.783 CB 1.284 24 residues pruned to eliminate duplicates Z: 25 26.055 1.973 0.798 0.820 0.917 0.542 CB 1.239 25 residues pruned to eliminate duplicates Z: 17 21.458 2.058 0.806 0.846 0.938 0.562 CB 1.144 17 residues pruned to eliminate duplicates Z: 23 23.446 1.958 0.658 0.843 0.909 0.591 CB 1.261 23 residues pruned to eliminate duplicates Z: 38 24.645 1.897 0.619 0.765 0.892 0.649 CB 1.169 38 residues pruned to eliminate duplicates Z: 27 24.246 1.921 0.703 0.810 0.923 0.385 CB 1.203 27 residues pruned to eliminate duplicates Z: 29 25.091 1.903 0.805 0.760 0.929 0.679 CB 1.180 29 residues pruned to eliminate duplicates Z: 21 22.143 1.976 0.763 0.823 0.900 0.650 CB 1.194 21 residues pruned to eliminate duplicates Z: 26 26.360 1.961 0.785 0.864 0.920 0.600 CB 1.200 26 residues pruned to eliminate duplicates Z: 27 24.282 1.946 0.714 0.802 0.885 0.808 CB 1.239 27 residues pruned to eliminate duplicates Z: 32 30.613 1.950 0.722 0.828 0.903 0.710 CB 1.365 32 residues pruned to eliminate duplicates Z: 14 20.128 1.800 0.751 0.839 0.923 0.615 CB 1.433 14 residues pruned to eliminate duplicates Z: 15 20.889 1.753 0.724 0.876 1.000 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 12 12.370 1.740 0.500 0.665 0.909 0.545 CB 1.349 12 residues pruned to eliminate duplicates Z: 14 15.333 1.763 0.536 0.749 1.000 0.692 CB 1.258 14 residues pruned to eliminate duplicates Z: 15 18.781 1.785 0.735 0.846 0.929 0.571 CB 1.297 15 residues pruned to eliminate duplicates Z: 11 11.695 1.748 0.532 0.696 0.900 0.400 CB 1.283 11 residues pruned to eliminate duplicates Z: 13 14.094 1.764 0.374 0.716 1.000 0.750 CB 1.381 13 residues pruned to eliminate duplicates Z: 19 15.356 1.695 0.521 0.777 0.944 0.667 CB 1.164 19 residues pruned to eliminate duplicates Z: 13 15.090 1.719 0.428 0.723 1.000 0.833 CB 1.451 13 residues pruned to eliminate duplicates Z: 13 19.968 1.827 0.572 0.901 1.000 0.750 CB 1.433 13 residues pruned to eliminate duplicates Z: 14 17.805 1.798 0.471 0.828 1.000 0.769 CB 1.405 14 residues pruned to eliminate duplicates Z: 13 17.636 1.815 0.460 0.900 1.000 0.833 CB 1.372 13 residues pruned to eliminate duplicates Z: 15 17.313 1.816 0.551 0.830 0.929 0.786 CB 1.330 15 residues pruned to eliminate duplicates Z: 15 21.170 1.778 0.898 0.835 1.000 0.786 CB 1.256 15 residues pruned to eliminate duplicates Z: 20 20.849 1.993 0.521 0.810 0.895 0.789 CB 1.347 20 residues pruned to eliminate duplicates Z: 22 17.417 1.947 0.418 0.740 0.905 0.714 CB 1.227 22 residues pruned to eliminate duplicates Z: 22 21.240 1.910 0.598 0.725 0.905 0.714 CB 1.370 22 residues pruned to eliminate duplicates Z: 21 23.580 1.979 0.588 0.788 1.000 0.800 CB 1.303 20 residues pruned to eliminate duplicates Z: 19 24.547 1.987 0.641 0.851 1.000 0.889 CB 1.313 19 residues pruned to eliminate duplicates Z: 24 20.861 1.969 0.419 0.724 1.000 0.826 CB 1.272 24 residues pruned to eliminate duplicates Z: 20 21.868 1.993 0.460 0.821 0.947 0.842 CB 1.378 20 residues pruned to eliminate duplicates Z: 19 21.824 2.027 0.404 0.804 1.000 0.889 CB 1.387 19 residues pruned to eliminate duplicates Z: 21 20.601 2.000 0.415 0.764 0.950 0.750 CB 1.356 21 residues pruned to eliminate duplicates Z: 21 18.938 1.976 0.455 0.777 0.900 0.700 CB 1.281 21 residues pruned to eliminate duplicates Z: 19 21.060 2.020 0.505 0.872 0.944 0.889 CB 1.261 19 residues pruned to eliminate duplicates Z: 21 21.429 1.944 0.651 0.752 0.950 0.700 CB 1.255 21 residues pruned to eliminate duplicates Z: 21 21.118 1.965 0.561 0.794 1.000 0.800 CB 1.190 21 residues pruned to eliminate duplicates Z: 20 20.717 2.018 0.540 0.755 0.947 0.789 CB 1.286 20 residues pruned to eliminate duplicates Z: 19 21.971 2.057 0.504 0.863 0.944 0.833 CB 1.301 19 residues pruned to eliminate duplicates Z: 19 21.869 2.027 0.391 0.822 1.000 0.889 CB 1.382 19 residues pruned to eliminate duplicates Z: 19 21.662 2.057 0.605 0.816 0.944 0.722 CB 1.244 19 residues pruned to eliminate duplicates Z: 6 3.998 1.528 0.458 0.446 0.800 0.400 N 1.061 6 residues pruned to eliminate duplicates Z: 22 22.749 1.936 0.415 0.841 1.000 0.905 CB 1.352 22 residues pruned to eliminate duplicates Z: 15 12.583 1.813 0.428 0.826 1.000 0.929 CB 0.979 15 residues pruned to eliminate duplicates Z: 27 23.570 1.844 0.609 0.723 0.962 0.731 CB 1.325 27 residues pruned to eliminate duplicates Z: 17 17.984 1.907 0.412 0.888 1.000 0.812 CB 1.204 17 residues pruned to eliminate duplicates Z: 25 22.621 1.923 0.635 0.823 0.958 0.750 CB 1.158 25 residues pruned to eliminate duplicates Z: 23 22.898 1.943 0.631 0.859 0.909 0.909 CB 1.247 23 residues pruned to eliminate duplicates Z: 27 21.815 1.904 0.597 0.735 0.923 0.731 CB 1.235 27 residues pruned to eliminate duplicates Z: 22 23.944 1.997 0.645 0.860 0.952 0.810 CB 1.229 22 residues pruned to eliminate duplicates Z: 20 28.250 2.005 0.724 0.920 1.000 0.684 CB 1.321 20 residues pruned to eliminate duplicates Z: 26 22.144 1.872 0.776 0.773 0.920 0.400 CB 1.137 26 residues pruned to eliminate duplicates Z: 44 30.719 1.848 0.829 0.772 0.930 0.651 CB 1.171 44 residues pruned to eliminate duplicates Z: 17 24.157 2.120 0.674 0.926 1.000 0.812 CB 1.193 17 residues pruned to eliminate duplicates Z: 22 27.735 2.029 0.707 0.875 0.952 0.762 CB 1.335 22 residues pruned to eliminate duplicates Z: 18 24.548 2.114 0.775 0.836 0.941 0.529 CB 1.261 18 residues pruned to eliminate duplicates Z: 26 21.887 1.914 0.690 0.809 0.920 0.520 CB 1.123 26 residues pruned to eliminate duplicates Z: 20 19.212 1.974 0.783 0.806 0.947 0.579 CB 1.012 20 residues pruned to eliminate duplicates Z: 21 14.954 1.841 0.626 0.669 0.800 0.400 CB 1.194 21 residues pruned to eliminate duplicates Z: 26 22.375 1.870 0.751 0.793 0.920 0.520 CB 1.149 26 residues pruned to eliminate duplicates Z: 23 24.834 1.966 0.909 0.890 0.955 0.545 CB 1.063 23 residues pruned to eliminate duplicates Z: 23 22.156 1.972 0.645 0.859 0.909 0.636 CB 1.180 23 residues pruned to eliminate duplicates Z: 17 11.098 1.777 0.540 0.558 0.750 0.375 CB 1.278 17 residues pruned to eliminate duplicates Z: 24 24.090 1.953 0.816 0.671 0.826 0.565 CB 1.465 15 residues pruned to eliminate duplicates Z: 18 23.134 1.864 0.522 0.884 1.000 0.765 CB 1.430 18 residues pruned to eliminate duplicates Z: 37 29.367 1.947 0.649 0.804 0.972 0.750 CB 1.202 24 residues pruned to eliminate duplicates Z: 19 27.207 1.893 0.591 0.890 1.000 0.889 CB 1.532 19 residues pruned to eliminate duplicates Z: 40 29.297 1.868 0.822 0.757 0.949 0.718 CB 1.156 40 residues pruned to eliminate duplicates Z: 21 24.100 1.736 0.605 0.923 1.000 0.950 N 1.360 21 residues pruned to eliminate duplicates Z: 17 24.903 1.929 0.847 0.732 0.938 0.500 CB 1.513 17 residues pruned to eliminate duplicates Z: 26 22.580 1.742 0.731 0.715 0.920 0.680 CB 1.340 26 residues pruned to eliminate duplicates Z: 21 21.948 1.828 0.821 0.763 0.900 0.450 CB 1.298 21 residues pruned to eliminate duplicates Z: 41 34.700 1.943 0.801 0.834 0.925 0.550 CB 1.271 40 residues pruned to eliminate duplicates Z: 19 29.453 1.863 0.908 0.902 1.000 0.667 N 1.393 19 residues pruned to eliminate duplicates Z: 23 23.522 1.890 0.820 0.703 0.909 0.545 CB 1.334 23 residues pruned to eliminate duplicates Z: 38 33.454 1.969 0.867 0.840 0.946 0.676 CB 1.180 38 residues pruned to eliminate duplicates Z: 22 20.495 1.785 0.760 0.693 0.905 0.476 N 1.319 22 residues pruned to eliminate duplicates Z: 24 26.508 1.793 0.975 0.729 0.957 0.478 CB 1.328 24 residues pruned to eliminate duplicates Z: 21 26.538 1.868 0.800 0.806 0.900 0.650 N 1.502 21 residues pruned to eliminate duplicates Z: 8 7.226 1.721 0.736 0.685 0.571 0.286 CB 1.350 8 residues pruned to eliminate duplicates Z: 46 33.096 1.887 0.851 0.796 0.933 0.667 CB 1.168 46 residues pruned to eliminate duplicates Z: 48 27.935 1.858 0.714 0.791 0.936 0.660 CB 1.059 48 residues pruned to eliminate duplicates Z: 39 25.215 1.903 0.888 0.708 0.868 0.500 CB 1.085 39 residues pruned to eliminate duplicates Z: 14 19.127 1.957 0.821 0.741 0.846 0.692 CB 1.418 14 residues pruned to eliminate duplicates Z: 41 29.164 1.954 0.738 0.750 0.825 0.575 CB 1.317 41 residues pruned to eliminate duplicates Z: 17 15.967 2.013 0.544 0.730 0.750 0.562 CB 1.392 17 residues pruned to eliminate duplicates Z: 41 31.858 1.987 0.635 0.824 0.900 0.725 CB 1.301 41 residues pruned to eliminate duplicates Z: 22 15.579 1.906 0.793 0.549 0.810 0.476 CB 1.171 22 residues pruned to eliminate duplicates Z: 41 32.793 1.986 0.729 0.824 0.900 0.650 CB 1.267 41 residues pruned to eliminate duplicates Z: 29 35.075 2.129 0.773 0.802 0.964 0.714 CB 1.399 29 residues pruned to eliminate duplicates Z: 36 32.213 2.019 0.802 0.777 0.943 0.743 CB 1.243 36 residues pruned to eliminate duplicates Z: 34 30.712 1.993 0.919 0.799 0.879 0.545 CB 1.225 34 residues pruned to eliminate duplicates Z: 42 36.581 1.976 0.769 0.824 0.951 0.683 CB 1.298 42 residues pruned to eliminate duplicates Z: 42 33.740 1.966 0.755 0.849 0.902 0.780 CB 1.255 42 residues pruned to eliminate duplicates Z: 19 22.410 1.981 0.782 0.789 0.889 0.500 CB 1.306 19 residues pruned to eliminate duplicates Z: 41 35.880 1.956 0.948 0.796 0.900 0.700 CB 1.277 41 residues pruned to eliminate duplicates Z: 20 20.814 1.931 0.771 0.768 0.895 0.684 CB 1.230 20 residues pruned to eliminate duplicates Z: 39 32.846 1.989 0.853 0.844 0.921 0.632 CB 1.168 39 residues pruned to eliminate duplicates Z: 39 31.637 1.961 0.735 0.758 0.921 0.763 CB 1.302 39 residues pruned to eliminate duplicates Z: 40 25.313 1.825 0.864 0.676 0.872 0.590 CB 1.163 37 residues pruned to eliminate duplicates Z: 19 32.777 1.989 0.914 0.942 1.000 0.889 CB 1.407 20 residues pruned to eliminate duplicates Z: 20 24.583 1.912 0.481 0.914 1.000 0.947 CB 1.409 20 residues pruned to eliminate duplicates Z: 21 16.425 1.800 0.539 0.631 0.950 0.750 CB 1.235 16 residues pruned to eliminate duplicates Z: 21 26.670 1.913 0.735 0.850 1.000 0.750 CB 1.331 21 residues pruned to eliminate duplicates Z: 21 20.420 1.877 0.593 0.778 0.900 0.800 CB 1.328 21 residues pruned to eliminate duplicates Z: 35 17.711 1.778 0.406 0.650 0.941 0.588 CB 1.123 35 residues pruned to eliminate duplicates Z: 17 16.572 1.881 0.779 0.657 0.812 0.562 CB 1.317 17 residues pruned to eliminate duplicates Z: 19 27.928 2.033 0.700 0.839 0.944 0.833 CB 1.506 19 residues pruned to eliminate duplicates Z: 19 15.283 1.879 0.891 0.649 0.889 0.556 CB 0.993 19 residues pruned to eliminate duplicates Z: 19 28.142 2.006 0.926 0.826 0.944 0.722 CB 1.371 19 residues pruned to eliminate duplicates Z: 22 25.007 1.957 0.769 0.771 0.952 0.571 CB 1.302 22 residues pruned to eliminate duplicates Z: 22 25.524 1.969 0.702 0.790 0.952 0.619 CB 1.353 22 residues pruned to eliminate duplicates Z: 24 22.225 1.977 0.644 0.715 0.870 0.609 CB 1.350 24 residues pruned to eliminate duplicates Z: 18 30.986 2.019 1.045 0.890 1.000 0.824 CB 1.310 26 residues pruned to eliminate duplicates Z: 21 32.295 1.919 1.125 0.914 0.950 0.750 CB 1.318 20 residues pruned to eliminate duplicates Z: 21 28.879 1.982 0.862 0.886 1.000 0.700 CB 1.263 20 residues pruned to eliminate duplicates Z: 21 31.753 1.917 1.061 0.909 0.950 0.800 CB 1.343 21 residues pruned to eliminate duplicates Z: 37 31.084 1.923 0.713 0.804 0.944 0.694 CB 1.276 37 residues pruned to eliminate duplicates Z: 22 27.800 1.987 0.960 0.832 1.000 0.619 CB 1.169 22 residues pruned to eliminate duplicates Z: 30 23.180 1.905 0.974 0.621 0.862 0.724 CB 1.184 30 residues pruned to eliminate duplicates Z: 24 25.503 1.913 1.026 0.798 0.913 0.696 CB 1.158 24 residues pruned to eliminate duplicates Z: 26 20.954 1.831 0.860 0.688 0.840 0.520 CB 1.233 21 residues pruned to eliminate duplicates Z: 14 14.758 1.731 0.411 0.817 0.923 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 17 17.986 1.893 0.315 0.820 1.000 0.812 CB 1.369 17 residues pruned to eliminate duplicates Z: 16 18.669 1.927 0.240 0.925 1.000 0.867 CB 1.415 16 residues pruned to eliminate duplicates Z: 18 16.771 1.907 0.278 0.801 0.941 0.882 CB 1.364 18 residues pruned to eliminate duplicates Z: 16 19.371 1.951 0.327 0.906 1.000 0.867 CB 1.374 16 residues pruned to eliminate duplicates Z: 39 29.141 1.913 0.706 0.784 0.947 0.553 CB 1.191 39 residues pruned to eliminate duplicates Z: 15 19.738 1.950 0.330 0.916 1.000 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 17 18.606 1.943 0.347 0.816 0.938 0.812 CB 1.441 17 residues pruned to eliminate duplicates Z: 41 29.549 1.906 0.751 0.736 0.925 0.675 CB 1.225 44 residues pruned to eliminate duplicates Z: 17 17.215 1.848 0.484 0.877 0.938 0.688 CB 1.217 17 residues pruned to eliminate duplicates Z: 21 17.707 1.805 0.564 0.586 0.950 0.750 CB 1.359 21 residues pruned to eliminate duplicates Z: 18 18.035 1.899 0.512 0.644 0.941 0.588 CB 1.415 18 residues pruned to eliminate duplicates Z: 40 29.222 1.881 0.819 0.733 0.923 0.436 CB 1.201 40 residues pruned to eliminate duplicates Z: 18 18.061 1.874 0.597 0.700 0.824 0.588 CB 1.481 18 residues pruned to eliminate duplicates Z: 51 26.475 1.834 0.732 0.645 0.900 0.680 CB 1.144 48 residues pruned to eliminate duplicates Z: 18 20.320 1.862 0.491 0.924 1.000 0.824 CB 1.247 18 residues pruned to eliminate duplicates 856 residues left after pruning, divided into chains as follows: A: 23 B: 25 C: 39 D: 38 E: 36 F: 64 G: 37 H: 41 I: 39 J: 42 K: 98 L: 151 M: 39 N: 41 O: 44 P: 65 Q: 23 R: 11 CC for partial structure against native data = 44.51 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.648, Connect. = 0.727 for dens.mod. cycle 1 = 0.300, Contrast = 0.733, Connect. = 0.752 for dens.mod. cycle 2 = 0.300, Contrast = 0.873, Connect. = 0.773 for dens.mod. cycle 3 = 0.300, Contrast = 0.888, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.898, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.898, Connect. = 0.774 for dens.mod. cycle 6 = 0.300, Contrast = 0.898, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.896, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.894, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.891, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2865 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 675 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 25.533 1.938 0.897 0.902 0.947 0.789 CB 1.200 B: 16 22.088 2.005 1.032 0.918 0.933 0.867 CB 1.058 16 residues pruned to eliminate duplicates C: 24 27.949 1.962 0.685 0.935 1.000 0.826 CB 1.228 D: 11 21.116 2.167 0.672 0.911 1.000 0.800 CB 1.306 E: 22 23.671 1.969 0.534 0.874 0.952 0.810 CB 1.307 F: 19 18.849 2.017 0.993 0.891 0.944 0.500 CB 0.842 G: 18 20.639 1.947 0.698 0.913 1.000 0.824 CB 1.072 18 residues pruned to eliminate duplicates H: 15 18.778 1.868 0.590 0.888 1.000 0.786 CB 1.218 I: 22 30.643 1.964 0.674 0.927 1.000 0.857 CB 1.426 J: 19 24.584 1.946 0.974 0.868 0.944 0.889 CB 1.167 19 residues pruned to eliminate duplicates K: 19 26.108 2.045 1.120 0.938 1.000 0.833 CB 0.987 19 residues pruned to eliminate duplicates L: 16 16.490 1.806 0.514 0.927 1.000 1.000 CB 1.092 M: 21 23.607 1.941 0.848 0.859 0.900 0.750 CB 1.204 N: 19 26.208 2.039 0.987 0.925 1.000 0.833 CB 1.070 19 residues pruned to eliminate duplicates O: 20 29.556 1.988 0.782 0.883 1.000 0.684 CB 1.384 P: 17 17.517 1.811 0.397 0.879 0.938 0.688 CB 1.339 Q: 17 15.118 1.762 0.488 0.828 0.938 0.750 CB 1.158 R: 19 27.447 2.038 0.693 0.843 1.000 0.722 CB 1.396 19 residues pruned to eliminate duplicates S: 25 28.412 1.905 0.782 0.919 1.000 0.833 CB 1.205 23 residues pruned to eliminate duplicates T: 22 24.494 1.861 0.662 0.920 1.000 0.857 CB 1.216 12 residues pruned to eliminate duplicates U: 23 25.343 1.927 0.510 0.882 0.955 0.818 CB 1.408 22 residues pruned to eliminate duplicates V: 24 20.476 1.906 0.403 0.721 0.913 0.565 CB 1.432 W: 12 13.906 1.895 0.579 0.865 0.909 0.727 CB 1.129 X: 24 24.347 1.905 0.550 0.934 0.957 0.652 CB 1.254 24 residues pruned to eliminate duplicates Y: 16 29.380 2.039 0.689 0.871 0.933 0.733 CB 1.722 Z: 22 20.669 1.959 0.353 0.887 0.952 0.762 CB 1.289 22 residues pruned to eliminate duplicates Z: 19 28.833 2.033 0.827 0.892 1.000 0.778 CB 1.315 Z: 14 20.952 2.041 0.566 0.927 1.000 0.923 CB 1.275 14 residues pruned to eliminate duplicates Z: 6 3.406 1.647 0.365 0.485 1.000 0.800 CB 0.688 Z: 19 21.434 1.943 0.477 0.865 1.000 0.944 CB 1.289 Z: 14 22.939 1.885 0.595 0.873 1.000 0.846 CB 1.541 Z: 23 29.273 1.901 0.728 0.921 1.000 0.909 CB 1.337 23 residues pruned to eliminate duplicates Z: 18 17.784 1.864 0.369 0.888 1.000 0.882 CB 1.218 Z: 19 20.414 2.051 0.334 0.913 0.944 0.889 CB 1.318 18 residues pruned to eliminate duplicates Z: 20 23.966 1.929 0.994 0.887 0.947 0.474 CB 1.088 19 residues pruned to eliminate duplicates Z: 22 19.051 1.935 0.335 0.906 0.952 0.762 CB 1.202 22 residues pruned to eliminate duplicates Z: 22 22.606 1.961 0.478 0.890 0.952 0.810 CB 1.285 22 residues pruned to eliminate duplicates Z: 18 19.926 1.962 0.461 0.904 0.941 0.824 CB 1.275 Z: 23 26.337 1.882 0.874 0.879 0.818 0.773 CB 1.411 23 residues pruned to eliminate duplicates Z: 22 18.481 1.808 0.569 0.866 0.952 0.810 CB 1.093 Z: 25 30.012 1.897 0.790 0.923 1.000 0.708 CB 1.268 25 residues pruned to eliminate duplicates Z: 22 24.600 1.794 0.797 0.904 0.952 0.667 CB 1.245 21 residues pruned to eliminate duplicates Z: 22 24.648 1.955 0.687 0.887 0.952 0.667 CB 1.235 22 residues pruned to eliminate duplicates Z: 21 23.494 1.998 0.490 0.901 1.000 0.750 CB 1.260 21 residues pruned to eliminate duplicates Z: 23 22.713 1.827 0.469 0.816 1.000 0.773 CB 1.371 Z: 22 26.645 1.978 0.688 0.910 0.952 0.857 CB 1.298 Z: 14 21.787 1.902 0.651 0.916 1.000 0.846 CB 1.358 15 residues pruned to eliminate duplicates Z: 18 21.126 1.906 0.817 0.917 0.824 0.706 CB 1.267 18 residues pruned to eliminate duplicates Z: 18 19.178 1.929 0.592 0.822 0.941 0.647 CB 1.218 17 residues pruned to eliminate duplicates Z: 22 26.560 1.992 0.659 0.926 0.952 0.952 CB 1.291 22 residues pruned to eliminate duplicates Z: 16 15.176 1.776 0.640 0.913 0.933 0.867 CB 1.020 16 residues pruned to eliminate duplicates Z: 12 16.568 2.043 0.932 0.906 0.909 0.818 CB 0.990 Z: 24 30.205 1.949 0.703 0.946 1.000 0.957 CB 1.313 24 residues pruned to eliminate duplicates Z: 20 24.495 1.982 1.016 0.879 1.000 0.474 CB 1.020 20 residues pruned to eliminate duplicates Z: 15 27.717 2.016 0.623 0.907 1.000 0.929 CB 1.610 15 residues pruned to eliminate duplicates Z: 16 30.900 2.050 0.738 0.897 1.000 0.867 CB 1.603 16 residues pruned to eliminate duplicates Z: 20 27.557 2.011 0.985 0.901 0.895 0.632 CB 1.263 22 residues pruned to eliminate duplicates Z: 21 20.572 1.890 0.664 0.896 0.950 0.750 CB 1.102 19 residues pruned to eliminate duplicates Z: 20 24.078 1.988 0.830 0.907 1.000 0.684 CB 1.079 20 residues pruned to eliminate duplicates Z: 20 21.719 1.869 0.540 0.885 0.947 0.789 CB 1.319 20 residues pruned to eliminate duplicates Z: 20 29.449 2.047 0.824 0.898 0.947 0.789 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 24.046 1.990 1.074 0.931 1.000 0.450 CB 0.910 20 residues pruned to eliminate duplicates Z: 7 2.023 1.259 0.597 0.237 0.667 0.500 N 0.836 Z: 21 25.099 1.942 0.751 0.841 0.900 0.500 CB 1.368 19 residues pruned to eliminate duplicates Z: 20 26.692 1.863 0.654 0.898 1.000 0.684 CB 1.422 21 residues pruned to eliminate duplicates Z: 17 31.018 1.966 0.718 0.896 1.000 0.875 CB 1.645 17 residues pruned to eliminate duplicates Z: 22 21.894 1.915 0.504 0.904 1.000 0.905 CB 1.181 22 residues pruned to eliminate duplicates Z: 17 17.690 1.792 0.771 0.788 0.938 0.812 CB 1.153 17 residues pruned to eliminate duplicates Z: 20 19.024 1.922 1.126 0.927 0.947 0.737 CB 0.790 12 residues pruned to eliminate duplicates Z: 21 18.018 1.849 0.767 0.936 1.000 0.900 CB 0.858 19 residues pruned to eliminate duplicates Z: 19 21.646 1.980 0.549 0.826 0.889 0.611 CB 1.411 19 residues pruned to eliminate duplicates Z: 14 18.054 1.852 0.381 0.868 0.923 0.769 CB 1.551 14 residues pruned to eliminate duplicates Z: 15 16.683 1.881 0.472 0.830 1.000 0.857 CB 1.211 Z: 19 18.800 1.924 0.352 0.867 0.944 0.778 CB 1.319 19 residues pruned to eliminate duplicates Z: 19 23.759 1.952 0.608 0.855 0.944 0.778 CB 1.395 Z: 30 22.307 2.007 0.725 0.720 0.862 0.690 CB 1.138 31 residues pruned to eliminate duplicates Z: 13 15.920 1.912 0.755 0.789 0.833 0.750 CB 1.276 14 residues pruned to eliminate duplicates Z: 15 21.436 2.055 0.233 0.870 1.000 0.786 CB 1.651 15 residues pruned to eliminate duplicates Z: 18 17.067 1.743 0.968 0.859 1.000 0.882 CB 0.888 Z: 15 19.775 1.949 0.347 0.902 1.000 0.929 CB 1.436 16 residues pruned to eliminate duplicates Z: 22 28.688 1.974 0.679 0.918 0.952 0.810 CB 1.398 22 residues pruned to eliminate duplicates Z: 19 35.579 2.096 0.911 0.868 0.944 0.667 CB 1.621 19 residues pruned to eliminate duplicates Z: 17 27.621 1.843 0.854 0.899 1.000 0.875 CB 1.444 17 residues pruned to eliminate duplicates Z: 18 16.148 1.753 0.686 0.931 1.000 0.824 CB 0.926 Z: 14 21.624 1.938 0.553 0.923 1.000 1.000 CB 1.400 16 residues pruned to eliminate duplicates Z: 21 21.738 1.804 0.567 0.855 0.950 0.550 CB 1.336 19 residues pruned to eliminate duplicates Z: 22 30.665 1.835 0.944 0.918 0.952 0.762 CB 1.389 23 residues pruned to eliminate duplicates Z: 19 21.936 1.945 0.578 0.845 0.944 0.833 CB 1.326 21 residues pruned to eliminate duplicates Z: 18 30.372 2.024 0.987 0.923 0.941 0.765 CB 1.368 18 residues pruned to eliminate duplicates Z: 21 22.987 1.866 0.509 0.836 0.950 0.750 CB 1.438 21 residues pruned to eliminate duplicates Z: 16 32.833 2.065 0.763 0.928 1.000 0.933 CB 1.630 16 residues pruned to eliminate duplicates Z: 19 25.771 2.029 0.501 0.906 1.000 0.944 CB 1.419 19 residues pruned to eliminate duplicates Z: 17 22.426 1.812 0.475 0.921 1.000 0.938 O 1.476 Z: 20 25.306 1.850 0.615 0.905 1.000 0.895 CB 1.384 19 residues pruned to eliminate duplicates Z: 17 21.174 1.972 1.181 0.930 0.938 0.562 CB 0.918 17 residues pruned to eliminate duplicates Z: 17 23.582 1.892 0.642 0.911 0.938 0.938 CB 1.434 16 residues pruned to eliminate duplicates Z: 17 20.018 1.894 0.538 0.913 1.000 0.875 CB 1.216 17 residues pruned to eliminate duplicates Z: 18 23.372 1.860 0.631 0.922 1.000 0.941 CB 1.315 15 residues pruned to eliminate duplicates Z: 24 25.500 1.969 0.685 0.917 1.000 0.913 CB 1.132 24 residues pruned to eliminate duplicates Z: 15 17.815 1.798 0.484 0.863 0.929 0.714 CB 1.411 15 residues pruned to eliminate duplicates Z: 17 27.572 1.946 0.679 0.869 1.000 0.812 CB 1.541 17 residues pruned to eliminate duplicates Z: 7 5.165 1.769 0.766 0.406 0.833 0.667 CB 0.894 7 residues pruned to eliminate duplicates Z: 15 16.193 1.760 0.567 0.863 1.000 0.786 CB 1.151 14 residues pruned to eliminate duplicates Z: 17 20.256 1.975 0.850 0.891 0.938 0.625 CB 1.063 17 residues pruned to eliminate duplicates Z: 18 24.675 2.067 0.394 0.919 1.000 0.941 CB 1.463 18 residues pruned to eliminate duplicates Z: 20 30.120 2.030 0.717 0.866 0.947 0.842 CB 1.532 20 residues pruned to eliminate duplicates Z: 23 28.639 2.006 0.831 0.934 0.955 0.682 CB 1.214 25 residues pruned to eliminate duplicates Z: 21 26.836 1.944 0.929 0.923 0.950 0.700 CB 1.184 12 residues pruned to eliminate duplicates Z: 22 29.966 1.965 0.841 0.893 0.952 0.667 CB 1.362 22 residues pruned to eliminate duplicates Z: 17 24.219 1.939 0.718 0.911 1.000 0.562 CB 1.289 Z: 7 15.586 1.957 0.633 0.838 1.000 0.667 CB 1.487 9 residues pruned to eliminate duplicates Z: 15 15.856 1.894 0.143 0.899 1.000 0.929 CB 1.400 15 residues pruned to eliminate duplicates Z: 16 29.043 2.074 0.554 0.913 1.000 0.933 CB 1.646 16 residues pruned to eliminate duplicates Z: 21 20.906 1.893 0.688 0.868 0.850 0.750 CB 1.258 21 residues pruned to eliminate duplicates Z: 18 18.860 1.990 0.647 0.876 0.882 0.824 CB 1.150 18 residues pruned to eliminate duplicates Z: 24 15.492 1.828 0.245 0.915 0.870 0.826 CB 1.153 Z: 18 21.688 1.812 0.717 0.875 0.941 0.941 CB 1.307 19 residues pruned to eliminate duplicates Z: 22 25.016 1.927 0.672 0.873 1.000 0.857 CB 1.233 21 residues pruned to eliminate duplicates Z: 18 15.333 1.716 0.896 0.899 1.000 0.824 CB 0.817 18 residues pruned to eliminate duplicates Z: 8 14.704 1.957 0.427 0.830 1.000 0.571 CB 1.496 8 residues pruned to eliminate duplicates 6 1.808 1.427 -0.094 0.580 0.800 0.800 CB 0.724 ? Z: 19 13.510 1.712 0.664 0.912 1.000 0.889 CB 0.792 19 residues pruned to eliminate duplicates Z: 25 25.650 1.904 0.521 0.904 0.958 0.750 CB 1.344 25 residues pruned to eliminate duplicates Z: 16 18.727 1.876 0.323 0.881 1.000 0.800 CB 1.411 17 residues pruned to eliminate duplicates Z: 20 19.355 1.801 0.405 0.914 0.947 0.895 CB 1.310 20 residues pruned to eliminate duplicates Z: 12 10.253 1.760 0.432 0.825 1.000 0.727 CB 0.926 12 residues pruned to eliminate duplicates Z: 7 3.163 1.580 0.349 0.248 0.833 0.333 N 0.972 Z: 23 30.913 2.026 0.891 0.940 1.000 0.909 CB 1.195 22 residues pruned to eliminate duplicates Z: 22 28.575 1.952 0.848 0.889 1.000 0.667 CB 1.245 22 residues pruned to eliminate duplicates Z: 15 19.620 1.818 0.429 0.907 1.000 0.857 CB 1.435 14 residues pruned to eliminate duplicates Z: 22 19.939 1.884 0.427 0.871 0.905 0.714 CB 1.305 22 residues pruned to eliminate duplicates Z: 20 24.790 1.946 0.698 0.876 1.000 0.842 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 31.067 2.037 0.677 0.894 1.000 0.611 CB 1.537 19 residues pruned to eliminate duplicates Z: 24 22.600 1.920 0.593 0.896 0.957 0.826 CB 1.154 24 residues pruned to eliminate duplicates Z: 24 29.595 1.905 0.678 0.935 1.000 0.870 CB 1.346 23 residues pruned to eliminate duplicates Z: 21 31.889 1.921 1.017 0.914 1.000 0.650 CB 1.302 21 residues pruned to eliminate duplicates Z: 21 25.734 2.019 0.752 0.897 0.950 0.800 CB 1.226 21 residues pruned to eliminate duplicates Z: 13 16.722 1.848 0.499 0.834 0.917 0.667 CB 1.425 13 residues pruned to eliminate duplicates Z: 21 29.347 1.983 0.885 0.943 1.000 0.750 CB 1.217 21 residues pruned to eliminate duplicates Z: 20 15.629 1.934 0.665 0.928 1.000 0.895 CB 0.780 20 residues pruned to eliminate duplicates Z: 18 17.572 1.861 0.665 0.833 0.941 0.765 CB 1.096 17 residues pruned to eliminate duplicates Z: 23 26.894 1.904 0.676 0.883 1.000 0.636 CB 1.299 23 residues pruned to eliminate duplicates Z: 8 10.022 1.733 0.902 0.902 1.000 1.000 CB 0.820 Z: 24 19.063 1.920 0.523 0.907 0.739 0.522 CB 1.307 24 residues pruned to eliminate duplicates Z: 27 26.000 1.916 0.966 0.822 0.923 0.615 CB 1.109 27 residues pruned to eliminate duplicates Z: 13 17.648 1.806 0.606 0.879 1.000 0.667 CB 1.273 13 residues pruned to eliminate duplicates Z: 17 23.619 1.859 0.708 0.885 0.938 0.625 CB 1.432 17 residues pruned to eliminate duplicates Z: 22 26.438 1.886 0.592 0.896 1.000 0.810 CB 1.376 22 residues pruned to eliminate duplicates Z: 18 27.054 1.954 0.820 0.910 0.941 0.529 CB 1.391 18 residues pruned to eliminate duplicates Z: 21 18.201 1.950 0.389 0.889 0.950 0.850 CB 1.138 21 residues pruned to eliminate duplicates Z: 18 23.596 1.979 0.471 0.912 1.000 0.882 CB 1.393 19 residues pruned to eliminate duplicates Z: 18 26.181 2.047 0.699 0.914 1.000 0.824 CB 1.292 18 residues pruned to eliminate duplicates Z: 24 25.026 1.949 0.439 0.925 1.000 0.783 CB 1.306 24 residues pruned to eliminate duplicates Z: 20 24.346 2.044 0.660 0.934 1.000 0.895 CB 1.148 20 residues pruned to eliminate duplicates Z: 13 10.274 1.782 0.435 0.890 1.000 0.750 CB 0.834 Z: 24 26.052 1.951 0.874 0.899 0.913 0.826 CB 1.163 24 residues pruned to eliminate duplicates Z: 18 26.132 1.984 0.573 0.876 1.000 0.706 CB 1.476 18 residues pruned to eliminate duplicates Z: 27 11.381 1.705 0.508 0.453 0.654 0.538 N 1.393 31 residues pruned to eliminate duplicates Z: 37 21.000 1.851 0.387 0.651 0.889 0.667 CB 1.332 26 residues pruned to eliminate duplicates Z: 11 14.365 1.692 0.662 0.814 0.900 0.800 N 1.366 11 residues pruned to eliminate duplicates Z: 15 17.602 1.860 0.464 0.880 1.000 0.786 CB 1.251 15 residues pruned to eliminate duplicates Z: 17 26.343 1.861 0.754 0.894 1.000 0.750 CB 1.447 Z: 15 19.362 1.883 0.413 0.905 1.000 0.857 CB 1.385 16 residues pruned to eliminate duplicates Z: 19 31.136 2.053 0.865 0.895 0.944 0.556 CB 1.455 19 residues pruned to eliminate duplicates Z: 9 11.129 1.721 0.503 0.834 0.875 0.875 CB 1.303 Z: 15 11.861 1.684 0.275 0.806 0.857 0.786 O 1.320 15 residues pruned to eliminate duplicates Z: 15 18.728 1.880 0.620 0.841 0.929 0.786 CB 1.320 14 residues pruned to eliminate duplicates Z: 11 15.021 1.757 0.886 0.879 1.000 0.900 CB 1.040 Z: 16 22.123 1.865 0.673 0.867 1.000 0.600 CB 1.340 16 residues pruned to eliminate duplicates Z: 16 4.185 1.670 0.237 0.311 0.667 0.467 CB 0.967 Z: 17 16.192 1.580 0.770 0.880 0.875 0.750 CB 1.198 Z: 21 21.999 1.949 0.356 0.912 1.000 0.850 CB 1.319 21 residues pruned to eliminate duplicates Z: 12 15.496 1.735 0.724 0.866 0.909 0.455 CB 1.258 12 residues pruned to eliminate duplicates Z: 12 10.421 1.675 0.704 0.824 0.909 0.636 CB 0.915 12 residues pruned to eliminate duplicates Z: 18 21.566 1.783 1.020 0.854 0.765 0.471 CB 1.402 18 residues pruned to eliminate duplicates Z: 15 15.227 1.716 0.474 0.899 1.000 0.857 CB 1.150 15 residues pruned to eliminate duplicates Z: 14 14.261 1.780 0.289 0.864 1.000 0.923 CB 1.264 14 residues pruned to eliminate duplicates Z: 18 17.209 1.867 0.385 0.873 0.941 0.706 CB 1.249 18 residues pruned to eliminate duplicates Z: 19 11.274 1.811 0.496 0.889 0.889 0.611 CB 0.795 Z: 18 16.459 1.869 0.306 0.897 0.941 0.941 CB 1.244 18 residues pruned to eliminate duplicates Z: 21 27.939 1.904 0.867 0.930 1.000 0.900 CB 1.229 21 residues pruned to eliminate duplicates Z: 19 24.969 2.041 0.413 0.900 1.000 0.889 CB 1.458 19 residues pruned to eliminate duplicates Z: 22 28.892 1.957 0.895 0.892 0.952 0.667 CB 1.282 22 residues pruned to eliminate duplicates Z: 20 29.836 1.872 1.094 0.897 0.947 0.895 CB 1.319 20 residues pruned to eliminate duplicates Z: 7 3.145 1.325 0.584 0.391 0.833 0.667 CB 0.824 Z: 19 21.821 1.893 0.796 0.828 0.889 0.667 CB 1.282 19 residues pruned to eliminate duplicates Z: 19 14.826 1.636 0.792 0.863 0.944 0.722 CB 0.926 19 residues pruned to eliminate duplicates Z: 17 27.408 1.922 0.678 0.909 1.000 0.938 CB 1.508 17 residues pruned to eliminate duplicates Z: 19 21.675 2.048 0.821 0.897 0.944 0.722 CB 1.038 19 residues pruned to eliminate duplicates Z: 19 22.058 1.789 0.586 0.902 1.000 0.889 CB 1.307 8 residues pruned to eliminate duplicates Z: 18 31.318 2.067 0.677 0.886 1.000 0.706 CB 1.582 19 residues pruned to eliminate duplicates Z: 22 22.981 1.928 0.868 0.824 0.857 0.667 CB 1.226 22 residues pruned to eliminate duplicates Z: 6 5.039 2.066 0.102 0.821 1.000 0.600 CB 0.749 Z: 19 27.671 2.018 0.872 0.858 0.889 0.722 CB 1.430 19 residues pruned to eliminate duplicates Z: 19 19.822 1.869 0.701 0.927 1.000 0.889 CB 1.030 19 residues pruned to eliminate duplicates Z: 12 15.844 1.846 0.549 0.850 1.000 0.818 CB 1.237 12 residues pruned to eliminate duplicates Z: 18 26.031 1.870 0.848 0.934 0.941 0.529 CB 1.353 17 residues pruned to eliminate duplicates Z: 15 21.197 1.893 0.442 0.922 1.000 0.929 CB 1.460 15 residues pruned to eliminate duplicates Z: 6 5.649 2.041 0.685 0.876 1.000 1.000 CB 0.534 Z: 14 9.428 1.803 0.566 0.679 0.846 0.538 CB 0.929 14 residues pruned to eliminate duplicates Z: 12 7.894 1.746 0.406 0.750 0.818 0.636 CB 0.948 Z: 25 25.955 1.892 0.485 0.912 1.000 0.917 CB 1.336 24 residues pruned to eliminate duplicates Z: 19 18.338 1.818 0.510 0.813 0.944 0.556 CB 1.270 19 residues pruned to eliminate duplicates Z: 9 3.389 1.484 0.264 0.228 0.750 0.375 N 1.170 Z: 20 18.573 1.755 0.568 0.885 1.000 0.947 CB 1.118 20 residues pruned to eliminate duplicates Z: 17 19.573 1.868 0.390 0.912 1.000 0.875 CB 1.335 17 residues pruned to eliminate duplicates Z: 19 25.170 1.982 0.778 0.815 0.944 0.667 CB 1.356 19 residues pruned to eliminate duplicates Z: 18 17.739 1.692 0.645 0.875 1.000 0.765 CB 1.125 Z: 14 16.438 1.776 0.484 0.871 0.923 0.615 CB 1.367 14 residues pruned to eliminate duplicates Z: 19 18.363 1.893 0.659 0.829 0.944 0.667 CB 1.098 19 residues pruned to eliminate duplicates Z: 19 21.018 1.901 0.314 0.909 1.000 0.889 CB 1.407 19 residues pruned to eliminate duplicates Z: 20 17.322 1.836 0.312 0.879 1.000 0.842 CB 1.197 20 residues pruned to eliminate duplicates Z: 13 18.305 1.966 0.326 0.891 0.917 0.917 CB 1.590 13 residues pruned to eliminate duplicates Z: 17 18.097 1.908 0.504 0.889 0.938 0.812 CB 1.210 17 residues pruned to eliminate duplicates Z: 19 21.563 1.900 0.841 0.903 0.889 0.889 CB 1.165 19 residues pruned to eliminate duplicates Z: 16 10.611 1.728 0.428 0.802 0.933 0.800 CB 0.914 Z: 22 28.961 1.958 0.699 0.920 1.000 0.810 CB 1.338 22 residues pruned to eliminate duplicates Z: 22 29.466 1.922 0.650 0.906 1.000 0.857 CB 1.442 22 residues pruned to eliminate duplicates Z: 19 13.509 1.790 0.454 0.945 1.000 1.000 CB 0.847 19 residues pruned to eliminate duplicates Z: 19 21.733 1.877 0.621 0.922 0.889 0.611 CB 1.333 19 residues pruned to eliminate duplicates Z: 23 19.325 1.908 0.524 0.866 0.909 0.727 CB 1.142 23 residues pruned to eliminate duplicates Z: 26 23.149 1.812 0.704 0.872 0.920 0.680 CB 1.188 26 residues pruned to eliminate duplicates Z: 9 13.234 1.781 0.668 0.870 0.875 0.625 CB 1.314 9 residues pruned to eliminate duplicates Z: 18 22.594 1.913 0.772 0.929 1.000 0.941 CB 1.132 18 residues pruned to eliminate duplicates Z: 20 25.847 2.005 0.758 0.875 0.947 0.632 CB 1.292 20 residues pruned to eliminate duplicates Z: 21 29.321 1.957 1.152 0.925 0.950 0.800 CB 1.150 21 residues pruned to eliminate duplicates Z: 18 15.689 1.797 0.599 0.853 0.941 0.824 CB 1.040 10 residues pruned to eliminate duplicates Z: 18 24.449 1.880 0.647 0.886 1.000 0.882 CB 1.381 19 residues pruned to eliminate duplicates Z: 18 15.588 1.817 0.597 0.879 0.941 0.941 CB 1.004 20 residues pruned to eliminate duplicates Z: 19 23.737 1.871 0.629 0.925 1.000 0.833 CB 1.288 17 residues pruned to eliminate duplicates Z: 17 15.557 1.694 0.444 0.883 1.000 0.938 CB 1.149 Z: 15 23.956 1.900 0.811 0.915 1.000 0.786 CB 1.315 24 residues pruned to eliminate duplicates Z: 20 20.255 1.987 0.440 0.746 0.895 0.895 CB 1.457 20 residues pruned to eliminate duplicates Z: 18 19.565 1.881 0.550 0.870 0.941 0.882 CB 1.263 18 residues pruned to eliminate duplicates Z: 18 13.922 1.768 0.360 0.871 0.941 0.882 CB 1.089 18 residues pruned to eliminate duplicates Z: 14 19.500 1.927 0.417 0.873 1.000 0.846 CB 1.442 14 residues pruned to eliminate duplicates Z: 14 14.349 1.715 0.907 0.847 0.923 0.385 CB 0.978 13 residues pruned to eliminate duplicates Z: 19 19.385 1.843 0.801 0.863 0.944 0.833 CB 1.070 19 residues pruned to eliminate duplicates Z: 7 8.370 1.751 0.832 0.808 1.000 0.833 CB 0.814 6 residues pruned to eliminate duplicates Z: 21 18.424 1.831 0.787 0.853 0.900 0.650 CB 1.034 21 residues pruned to eliminate duplicates Z: 18 23.051 1.865 0.609 0.928 1.000 0.882 CB 1.305 18 residues pruned to eliminate duplicates Z: 20 20.267 1.842 0.852 0.874 0.947 0.579 CB 1.047 20 residues pruned to eliminate duplicates Z: 15 6.144 1.729 0.269 0.404 0.714 0.500 CB 1.159 15 residues pruned to eliminate duplicates Z: 19 25.733 1.936 0.835 0.924 1.000 0.833 CB 1.199 20 residues pruned to eliminate duplicates Z: 19 17.269 1.880 0.287 0.828 1.000 0.667 CB 1.267 19 residues pruned to eliminate duplicates Z: 19 23.678 1.808 0.647 0.902 1.000 0.889 CB 1.337 18 residues pruned to eliminate duplicates Z: 22 18.519 1.802 0.565 0.901 0.952 0.905 CB 1.074 22 residues pruned to eliminate duplicates Z: 18 26.499 2.037 0.869 0.854 1.000 0.647 CB 1.247 18 residues pruned to eliminate duplicates Z: 18 15.967 1.785 0.545 0.830 0.941 0.882 CB 1.122 18 residues pruned to eliminate duplicates Z: 18 20.182 1.811 0.697 0.841 0.941 0.412 CB 1.263 18 residues pruned to eliminate duplicates Z: 19 25.642 2.013 0.780 0.887 1.000 0.889 CB 1.216 19 residues pruned to eliminate duplicates Z: 18 18.580 1.730 0.469 0.801 1.000 0.765 O 1.363 18 residues pruned to eliminate duplicates Z: 19 23.922 1.871 0.597 0.932 0.944 0.889 CB 1.396 19 residues pruned to eliminate duplicates Z: 19 23.778 1.769 0.661 0.874 1.000 0.833 CB 1.388 18 residues pruned to eliminate duplicates Z: 13 14.201 1.704 0.442 0.862 1.000 0.833 CB 1.225 13 residues pruned to eliminate duplicates Z: 20 16.132 1.798 0.604 0.925 1.000 0.842 CB 0.900 19 residues pruned to eliminate duplicates Z: 19 25.596 1.896 0.886 0.901 1.000 0.444 CB 1.204 19 residues pruned to eliminate duplicates Z: 17 21.649 1.888 0.467 0.919 1.000 0.812 CB 1.377 17 residues pruned to eliminate duplicates Z: 19 19.196 1.872 0.329 0.919 1.000 0.889 CB 1.282 19 residues pruned to eliminate duplicates Z: 14 19.220 1.834 0.521 0.873 0.923 0.769 CB 1.507 14 residues pruned to eliminate duplicates Z: 21 24.910 2.033 0.318 0.842 1.000 0.800 CB 1.549 21 residues pruned to eliminate duplicates Z: 15 14.769 1.545 0.704 0.886 1.000 0.929 CB 1.082 12 residues pruned to eliminate duplicates Z: 19 17.339 1.795 1.009 0.928 1.000 0.833 CB 0.793 19 residues pruned to eliminate duplicates Z: 15 14.961 1.788 0.707 0.896 1.000 0.786 CB 0.939 15 residues pruned to eliminate duplicates Z: 18 15.582 1.830 0.606 0.943 1.000 0.824 CB 0.891 18 residues pruned to eliminate duplicates Z: 21 26.806 1.887 1.039 0.898 0.950 0.550 CB 1.172 21 residues pruned to eliminate duplicates Z: 6 2.261 1.474 -0.002 0.381 0.600 0.600 C 1.300 8 1.990 1.613 0.179 0.415 0.857 0.429 CB 0.505 ? Z: 14 20.285 1.960 0.578 0.868 1.000 0.769 CB 1.329 16 residues pruned to eliminate duplicates Z: 17 9.597 1.508 0.861 0.784 0.875 0.562 CB 0.761 7 residues pruned to eliminate duplicates Z: 15 14.205 1.762 0.575 0.770 1.000 0.786 CB 1.078 17 residues pruned to eliminate duplicates Z: 7 8.477 1.713 0.381 0.593 1.000 0.667 CB 1.338 Z: 14 18.450 1.829 0.673 0.898 0.923 0.769 CB 1.296 14 residues pruned to eliminate duplicates Z: 6 2.925 1.660 0.863 0.776 0.800 0.400 CB 0.414 Z: 10 10.122 1.919 0.382 0.520 0.889 0.333 CB 1.403 10 residues pruned to eliminate duplicates Z: 19 27.939 2.016 0.834 0.835 0.944 0.667 CB 1.413 19 residues pruned to eliminate duplicates Z: 19 28.072 1.959 0.869 0.898 0.944 0.778 CB 1.369 19 residues pruned to eliminate duplicates Z: 15 19.706 1.810 0.614 0.883 1.000 0.857 CB 1.303 16 residues pruned to eliminate duplicates Z: 13 15.624 1.750 0.461 0.835 0.917 0.750 CB 1.442 13 residues pruned to eliminate duplicates Z: 19 13.812 1.677 0.704 0.928 1.000 1.000 CB 0.798 18 residues pruned to eliminate duplicates Z: 18 25.825 1.853 0.634 0.858 1.000 0.765 CB 1.523 18 residues pruned to eliminate duplicates Z: 23 18.132 1.837 0.770 0.900 0.909 0.636 CB 0.935 24 residues pruned to eliminate duplicates Z: 18 14.280 1.804 0.492 0.815 0.824 0.529 CB 1.188 18 residues pruned to eliminate duplicates Z: 8 3.429 1.597 0.359 0.232 0.714 0.429 CB 1.142 Z: 19 22.225 1.810 0.646 0.804 0.889 0.778 N 1.517 19 residues pruned to eliminate duplicates Z: 22 23.967 1.915 0.681 0.931 1.000 0.714 CB 1.136 23 residues pruned to eliminate duplicates Z: 15 32.953 2.079 0.750 0.937 1.000 1.000 CB 1.684 15 residues pruned to eliminate duplicates Z: 9 12.703 1.932 0.295 0.897 1.000 0.875 CB 1.284 9 residues pruned to eliminate duplicates Z: 14 9.739 1.705 0.303 0.633 0.769 0.615 CB 1.396 14 residues pruned to eliminate duplicates Z: 6 4.968 1.877 0.428 0.810 0.800 0.600 CB 0.791 Z: 20 30.071 1.958 0.947 0.855 0.947 0.579 CB 1.410 20 residues pruned to eliminate duplicates Z: 16 18.289 1.731 0.965 0.841 0.867 0.667 CB 1.194 16 residues pruned to eliminate duplicates Z: 6 6.053 1.662 0.300 0.871 1.000 0.800 CB 0.914 Z: 19 21.455 1.846 0.948 0.908 0.944 0.722 CB 1.058 19 residues pruned to eliminate duplicates Z: 6 5.367 1.574 0.505 0.520 0.800 0.600 N 1.241 6 residues pruned to eliminate duplicates Z: 19 24.097 1.902 0.733 0.883 1.000 0.667 CB 1.246 19 residues pruned to eliminate duplicates Z: 17 20.572 1.837 0.476 0.853 0.938 0.750 CB 1.495 18 residues pruned to eliminate duplicates Z: 20 20.640 1.984 0.501 0.913 0.947 0.789 CB 1.188 20 residues pruned to eliminate duplicates Z: 8 3.571 1.467 0.295 0.455 0.714 0.429 CB 1.041 Z: 24 20.289 1.833 0.712 0.889 1.000 0.609 CB 0.971 24 residues pruned to eliminate duplicates Z: 20 22.390 2.007 0.454 0.911 0.947 0.789 CB 1.316 20 residues pruned to eliminate duplicates Z: 18 17.235 1.926 0.446 0.856 0.941 0.882 CB 1.175 18 residues pruned to eliminate duplicates Z: 16 21.683 1.858 0.747 0.896 0.933 0.733 CB 1.324 16 residues pruned to eliminate duplicates Z: 10 12.229 1.920 0.424 0.867 1.000 0.889 CB 1.091 10 residues pruned to eliminate duplicates Z: 12 15.996 1.880 0.439 0.834 1.000 0.909 CB 1.337 12 residues pruned to eliminate duplicates Z: 19 23.180 1.772 0.518 0.851 1.000 0.722 O 1.504 19 residues pruned to eliminate duplicates 6 1.101 1.326 0.533 0.298 0.600 0.600 CB 0.506 ? Z: 8 6.242 1.655 0.237 0.580 0.857 0.429 CB 1.245 Z: 22 23.096 1.908 1.014 0.805 0.905 0.571 CB 1.111 23 residues pruned to eliminate duplicates Z: 15 16.673 1.770 0.609 0.782 0.929 0.714 CB 1.313 15 residues pruned to eliminate duplicates Z: 17 17.299 1.733 0.552 0.867 1.000 0.688 CB 1.176 17 residues pruned to eliminate duplicates Z: 15 20.211 1.796 0.726 0.880 1.000 0.786 CB 1.263 15 residues pruned to eliminate duplicates Z: 10 13.616 1.835 0.534 0.803 0.889 0.667 CB 1.392 11 residues pruned to eliminate duplicates Z: 6 3.334 1.380 0.453 0.300 0.800 0.600 CB 1.162 Z: 21 25.648 1.925 0.606 0.922 1.000 0.900 CB 1.304 21 residues pruned to eliminate duplicates Z: 18 24.880 2.016 0.657 0.898 1.000 0.765 CB 1.292 18 residues pruned to eliminate duplicates Z: 15 12.981 1.694 0.298 0.909 0.929 0.857 CB 1.206 15 residues pruned to eliminate duplicates Z: 6 5.333 1.657 0.667 0.704 0.800 0.600 CB 0.897 Z: 6 2.586 1.588 0.797 0.424 0.600 0.400 CB 0.731 Z: 8 5.972 1.756 0.398 0.657 1.000 0.714 CB 0.795 Z: 17 12.647 1.601 0.498 0.843 0.938 0.812 CB 1.047 17 residues pruned to eliminate duplicates Z: 19 21.835 1.911 0.561 0.935 0.944 0.889 CB 1.273 19 residues pruned to eliminate duplicates Z: 13 10.085 1.528 0.654 0.625 0.833 0.750 CB 1.228 13 residues pruned to eliminate duplicates Z: 18 18.445 1.901 0.297 0.874 1.000 0.824 CB 1.321 18 residues pruned to eliminate duplicates Z: 18 18.163 1.954 0.389 0.908 1.000 0.824 CB 1.153 18 residues pruned to eliminate duplicates Z: 15 14.383 1.565 0.509 0.842 1.000 0.857 CB 1.213 15 residues pruned to eliminate duplicates Z: 17 16.228 1.888 0.436 0.871 0.938 0.750 CB 1.164 17 residues pruned to eliminate duplicates Z: 13 18.478 1.840 0.615 0.851 0.917 0.833 N 1.448 13 residues pruned to eliminate duplicates Z: 9 3.430 1.484 0.498 0.279 0.625 0.250 CB 1.120 Z: 18 17.470 1.833 0.756 0.796 0.882 0.706 CB 1.151 18 residues pruned to eliminate duplicates Z: 13 17.819 1.862 1.174 0.871 0.917 0.667 CB 1.011 13 residues pruned to eliminate duplicates Z: 8 4.461 1.588 0.651 0.424 0.714 0.714 CA 0.975 Z: 17 9.555 1.739 0.256 0.752 0.938 0.875 CB 0.932 17 residues pruned to eliminate duplicates Z: 20 21.299 2.053 0.428 0.915 0.947 0.947 CB 1.244 20 residues pruned to eliminate duplicates Z: 16 15.388 1.699 0.703 0.876 0.867 0.733 CB 1.152 9 residues pruned to eliminate duplicates Z: 18 26.026 1.829 0.706 0.917 1.000 0.412 CB 1.428 17 residues pruned to eliminate duplicates Z: 13 18.052 1.784 0.712 0.830 0.917 0.583 CB 1.400 13 residues pruned to eliminate duplicates Z: 17 19.969 1.856 0.719 0.910 1.000 0.750 CB 1.110 17 residues pruned to eliminate duplicates Z: 16 16.754 1.808 0.214 0.883 1.000 0.933 CB 1.426 22 residues pruned to eliminate duplicates Z: 6 2.659 1.428 0.293 0.412 0.800 0.400 CB 0.883 Z: 15 16.863 1.743 0.544 0.882 0.929 0.857 CB 1.305 16 residues pruned to eliminate duplicates Z: 9 6.418 1.709 1.148 0.592 0.750 0.500 CB 0.755 Z: 19 25.320 1.894 0.803 0.903 0.944 0.722 CB 1.320 19 residues pruned to eliminate duplicates Z: 6 8.879 1.772 1.153 0.795 1.000 0.600 CB 0.804 6 residues pruned to eliminate duplicates Z: 16 23.579 1.918 0.790 0.870 1.000 0.800 CB 1.295 16 residues pruned to eliminate duplicates Z: 19 34.005 2.030 1.095 0.855 0.944 0.556 CB 1.473 19 residues pruned to eliminate duplicates Z: 24 21.694 1.904 0.579 0.835 0.957 0.870 CB 1.178 24 residues pruned to eliminate duplicates Z: 18 17.076 1.838 0.326 0.873 1.000 0.882 CB 1.238 18 residues pruned to eliminate duplicates Z: 19 9.335 1.753 0.555 0.455 0.778 0.611 CB 1.087 19 residues pruned to eliminate duplicates Z: 8 16.487 1.929 0.633 0.885 1.000 0.857 CB 1.428 8 residues pruned to eliminate duplicates Z: 15 16.274 1.773 0.579 0.860 0.929 0.714 CB 1.230 15 residues pruned to eliminate duplicates Z: 16 14.940 1.592 0.561 0.871 0.933 0.800 CB 1.213 16 residues pruned to eliminate duplicates 6 0.600 1.495 0.358 0.813 0.800 0.600 CB 0.126 ? Z: 11 11.366 1.566 0.919 0.874 0.800 0.600 CB 1.088 11 residues pruned to eliminate duplicates Z: 10 2.830 1.324 0.566 0.235 0.778 0.556 CB 0.795 Z: 8 5.838 1.303 0.554 0.770 0.857 0.714 O 1.001 8 residues pruned to eliminate duplicates Z: 16 22.348 1.898 0.634 0.884 1.000 0.667 CB 1.344 15 residues pruned to eliminate duplicates Z: 19 26.540 2.032 0.524 0.880 1.000 0.833 CB 1.463 19 residues pruned to eliminate duplicates Z: 21 28.885 1.951 0.916 0.932 0.950 0.700 CB 1.270 21 residues pruned to eliminate duplicates Z: 15 8.971 1.701 0.752 0.491 0.857 0.143 CB 0.947 15 residues pruned to eliminate duplicates 7 1.927 1.836 0.990 0.878 1.000 1.000 CB 0.156 ? Z: 15 13.119 1.725 0.462 0.801 0.857 0.857 CB 1.247 15 residues pruned to eliminate duplicates Z: 17 14.001 1.634 0.456 0.798 0.875 0.688 CB 1.295 16 residues pruned to eliminate duplicates Z: 11 10.444 1.790 0.417 0.628 0.800 0.600 N 1.443 11 residues pruned to eliminate duplicates Z: 15 19.238 1.718 0.849 0.909 1.000 1.000 CB 1.149 15 residues pruned to eliminate duplicates Z: 9 3.350 1.602 0.665 0.785 1.000 0.625 CB 0.346 Z: 15 18.251 1.882 0.348 0.929 1.000 1.000 CB 1.346 15 residues pruned to eliminate duplicates Z: 17 19.813 1.899 0.543 0.896 1.000 0.938 CB 1.211 17 residues pruned to eliminate duplicates Z: 9 8.649 1.786 0.418 0.857 0.875 0.500 CB 1.017 9 residues pruned to eliminate duplicates Z: 13 11.926 1.749 0.469 0.742 0.833 0.750 CB 1.295 13 residues pruned to eliminate duplicates Z: 6 5.712 1.511 0.724 0.832 0.800 0.600 CB 0.920 6 residues pruned to eliminate duplicates Z: 19 24.439 1.978 0.462 0.897 1.000 0.889 CB 1.427 18 residues pruned to eliminate duplicates Z: 16 12.833 1.719 0.432 0.795 1.000 0.667 CB 1.039 16 residues pruned to eliminate duplicates Z: 19 23.608 1.932 0.655 0.856 0.944 0.722 CB 1.359 19 residues pruned to eliminate duplicates Z: 16 21.927 1.972 0.765 0.905 0.933 0.667 CB 1.241 16 residues pruned to eliminate duplicates Z: 20 15.830 1.921 0.869 0.895 0.947 0.737 CB 0.766 20 residues pruned to eliminate duplicates Z: 24 16.962 1.793 0.480 0.847 0.870 0.739 CB 1.138 24 residues pruned to eliminate duplicates Z: 8 3.487 1.660 0.476 0.283 0.857 0.571 CB 0.802 Z: 7 5.946 1.606 0.593 0.847 1.000 0.833 CB 0.704 Z: 18 24.482 1.849 0.727 0.865 1.000 0.824 CB 1.362 19 residues pruned to eliminate duplicates Z: 7 2.259 1.607 0.025 0.839 1.000 1.000 CB 0.418 Z: 14 14.902 1.704 0.606 0.871 0.923 0.846 CB 1.194 16 residues pruned to eliminate duplicates Z: 24 23.349 1.931 0.464 0.921 1.000 0.957 CB 1.212 24 residues pruned to eliminate duplicates Z: 9 3.331 1.670 0.767 0.212 0.750 0.375 CB 0.747 Z: 20 13.354 1.747 0.635 0.851 0.947 0.632 CB 0.838 20 residues pruned to eliminate duplicates Z: 19 15.623 1.781 0.517 0.854 0.889 0.722 CB 1.133 19 residues pruned to eliminate duplicates Z: 17 20.540 1.920 0.641 0.817 1.000 0.625 CB 1.238 17 residues pruned to eliminate duplicates Z: 17 15.932 1.671 0.579 0.855 1.000 0.688 CB 1.115 16 residues pruned to eliminate duplicates Z: 7 5.815 2.012 0.304 0.843 1.000 1.000 CB 0.674 Z: 15 21.638 1.792 0.622 0.916 1.000 1.000 CB 1.405 15 residues pruned to eliminate duplicates Z: 22 16.220 1.816 0.372 0.909 0.905 0.810 CB 1.115 23 residues pruned to eliminate duplicates Z: 18 22.110 1.976 0.690 0.896 0.941 0.765 CB 1.222 18 residues pruned to eliminate duplicates Z: 17 21.788 1.948 0.785 0.942 0.938 0.938 CB 1.159 17 residues pruned to eliminate duplicates Z: 19 23.983 1.970 0.732 0.831 0.889 0.667 CB 1.400 19 residues pruned to eliminate duplicates Z: 7 2.020 1.481 0.370 0.287 0.500 0.333 N 1.034 Z: 20 16.866 1.984 0.397 0.920 0.947 0.895 CB 1.038 20 residues pruned to eliminate duplicates Z: 17 17.509 1.915 0.381 0.902 1.000 0.938 CB 1.180 17 residues pruned to eliminate duplicates Z: 16 13.634 1.644 0.508 0.822 1.000 0.867 CB 1.074 16 residues pruned to eliminate duplicates Z: 8 2.553 1.532 0.680 0.225 0.571 0.286 CB 0.905 Z: 6 5.523 1.709 0.909 0.463 1.000 0.600 CB 0.786 Z: 16 13.948 1.811 0.934 0.919 1.000 0.933 CB 0.725 16 residues pruned to eliminate duplicates Z: 7 4.359 1.588 0.873 0.319 0.833 0.333 CB 0.877 Z: 19 26.247 1.950 0.627 0.938 1.000 0.944 CB 1.356 19 residues pruned to eliminate duplicates Z: 17 17.596 1.880 0.396 0.939 1.000 0.938 CB 1.164 17 residues pruned to eliminate duplicates Z: 16 20.999 1.918 0.610 0.840 0.933 0.600 CB 1.404 16 residues pruned to eliminate duplicates Z: 32 22.859 1.888 0.688 0.770 0.935 0.677 CB 1.085 33 residues pruned to eliminate duplicates Z: 14 23.323 1.889 0.994 0.924 0.923 0.385 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 3.860 1.490 0.594 0.150 0.667 0.250 N 1.083 Z: 18 26.140 2.020 0.997 0.915 0.941 0.647 CB 1.181 18 residues pruned to eliminate duplicates Z: 20 19.191 1.737 0.950 0.848 0.895 0.632 CB 1.078 18 residues pruned to eliminate duplicates Z: 9 3.327 1.623 0.342 0.300 0.625 0.375 CB 1.080 Z: 16 11.884 1.766 0.605 0.863 0.933 0.667 CB 0.851 12 residues pruned to eliminate duplicates Z: 19 13.806 1.638 0.835 0.720 0.944 0.500 CB 0.940 19 residues pruned to eliminate duplicates Z: 16 17.501 1.866 0.729 0.876 0.933 0.867 CB 1.090 17 residues pruned to eliminate duplicates 9 1.885 1.388 0.657 0.184 0.500 0.375 CB 0.847 ? Z: 13 17.479 1.798 1.211 0.858 1.000 0.583 CB 0.934 13 residues pruned to eliminate duplicates Z: 17 19.222 1.922 0.296 0.899 1.000 0.875 CB 1.379 17 residues pruned to eliminate duplicates Z: 17 22.738 2.015 0.970 0.904 0.875 0.750 CB 1.166 17 residues pruned to eliminate duplicates Z: 19 16.282 1.748 0.855 0.853 1.000 0.833 CB 0.875 17 residues pruned to eliminate duplicates Z: 14 17.173 1.845 0.704 0.867 0.923 0.692 CB 1.201 14 residues pruned to eliminate duplicates Z: 17 17.809 1.846 0.351 0.918 1.000 1.000 CB 1.259 17 residues pruned to eliminate duplicates Z: 20 22.497 1.977 0.550 0.903 1.000 0.842 CB 1.201 20 residues pruned to eliminate duplicates Z: 10 10.814 1.860 0.289 0.869 1.000 0.889 CB 1.099 10 residues pruned to eliminate duplicates Z: 13 15.466 1.727 0.821 0.889 1.000 0.750 CB 1.022 13 residues pruned to eliminate duplicates Z: 29 19.171 1.889 0.557 0.588 0.857 0.571 CB 1.322 25 residues pruned to eliminate duplicates Z: 17 26.518 2.094 0.784 0.928 0.938 0.750 CB 1.325 17 residues pruned to eliminate duplicates Z: 18 12.098 1.725 0.624 0.865 0.882 0.824 CB 0.870 19 residues pruned to eliminate duplicates Z: 35 19.079 1.873 0.255 0.681 0.882 0.559 CB 1.336 35 residues pruned to eliminate duplicates Z: 19 24.142 1.877 0.560 0.844 1.000 0.833 CB 1.446 18 residues pruned to eliminate duplicates Z: 15 14.681 1.764 0.612 0.885 0.929 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 13 5.188 1.784 0.428 0.540 0.917 0.583 CB 0.617 6 residues pruned to eliminate duplicates 7 1.491 1.224 1.184 0.363 0.500 0.167 CB 0.527 ? Z: 18 29.698 1.950 0.808 0.923 1.000 0.882 CB 1.436 18 residues pruned to eliminate duplicates Z: 20 19.212 1.863 0.537 0.894 0.947 0.842 CB 1.165 20 residues pruned to eliminate duplicates Z: 11 7.407 1.833 0.402 0.496 0.700 0.600 CB 1.307 10 residues pruned to eliminate duplicates Z: 6 6.094 1.656 0.368 0.686 1.000 0.200 CB 1.014 Z: 19 17.542 1.859 0.452 0.828 0.944 0.722 CB 1.221 19 residues pruned to eliminate duplicates Z: 12 14.727 1.725 0.638 0.878 1.000 0.636 CB 1.140 14 residues pruned to eliminate duplicates Z: 9 7.736 1.793 0.213 0.829 0.750 0.750 N 1.262 9 residues pruned to eliminate duplicates Z: 6 4.708 1.268 0.642 0.731 0.800 0.800 N 1.027 7 1.560 1.528 0.361 0.239 0.500 0.500 CB 0.829 ? Z: 14 3.587 1.459 0.580 0.257 0.615 0.308 CB 0.927 Z: 12 11.479 1.654 0.768 0.669 1.000 0.636 CB 1.013 12 residues pruned to eliminate duplicates Z: 19 25.051 1.939 0.762 0.917 0.944 0.833 CB 1.291 19 residues pruned to eliminate duplicates Z: 11 20.336 1.997 0.666 0.858 0.900 0.800 CB 1.582 11 residues pruned to eliminate duplicates Z: 6 2.394 1.282 0.730 0.417 0.600 0.400 CB 0.877 Z: 15 17.481 1.748 0.646 0.849 0.929 0.714 CB 1.296 15 residues pruned to eliminate duplicates Z: 15 17.064 1.686 0.764 0.917 1.000 0.929 CB 1.082 15 residues pruned to eliminate duplicates Z: 13 8.190 1.566 0.437 0.640 0.833 0.667 CB 1.106 13 residues pruned to eliminate duplicates Z: 18 33.289 2.079 0.864 0.883 1.000 0.647 CB 1.506 18 residues pruned to eliminate duplicates Z: 23 19.706 1.910 0.442 0.796 0.955 0.727 CB 1.233 22 residues pruned to eliminate duplicates Z: 12 13.050 1.771 0.566 0.865 1.000 0.818 CB 1.040 12 residues pruned to eliminate duplicates Z: 11 7.871 1.661 0.150 0.899 1.000 0.900 CB 0.931 11 residues pruned to eliminate duplicates Z: 21 27.726 1.973 0.583 0.915 0.950 0.900 CB 1.477 21 residues pruned to eliminate duplicates Z: 6 2.390 1.457 0.972 0.457 0.800 0.400 CB 0.486 Z: 17 10.400 1.706 0.436 0.484 0.750 0.562 N 1.437 17 residues pruned to eliminate duplicates Z: 21 15.746 1.782 0.370 0.819 0.950 0.550 CB 1.151 21 residues pruned to eliminate duplicates Z: 13 11.048 1.594 0.386 0.863 1.000 0.667 O 1.059 13 residues pruned to eliminate duplicates Z: 18 14.667 1.812 0.483 0.859 0.941 0.647 CB 1.035 18 residues pruned to eliminate duplicates Z: 20 19.335 1.922 0.701 0.908 0.947 0.789 CB 1.017 20 residues pruned to eliminate duplicates Z: 7 2.167 1.551 0.543 0.241 0.833 0.333 CB 0.599 Z: 11 13.891 2.029 0.705 0.809 0.900 0.600 CB 1.078 11 residues pruned to eliminate duplicates Z: 8 13.918 1.885 0.876 0.893 1.000 1.000 CB 1.068 8 residues pruned to eliminate duplicates Z: 11 11.848 1.785 0.588 0.839 0.900 0.700 CB 1.097 11 residues pruned to eliminate duplicates Z: 7 3.529 1.759 0.219 0.312 0.833 0.333 CB 0.993 Z: 17 14.160 1.658 0.465 0.881 0.938 0.875 CB 1.125 17 residues pruned to eliminate duplicates Z: 13 8.958 1.638 0.619 0.877 1.000 0.833 CB 0.708 13 residues pruned to eliminate duplicates Z: 8 5.041 1.756 0.342 0.723 0.714 0.429 CB 0.926 8 residues pruned to eliminate duplicates Z: 34 23.114 2.009 0.633 0.721 0.879 0.667 CB 1.143 34 residues pruned to eliminate duplicates Z: 14 18.652 1.751 0.545 0.820 1.000 0.846 O 1.449 14 residues pruned to eliminate duplicates Z: 6 5.662 1.439 0.075 0.826 1.000 1.000 N 1.234 Z: 18 10.574 1.589 0.657 0.620 0.941 0.647 CB 0.924 18 residues pruned to eliminate duplicates Z: 12 3.269 1.596 0.227 0.229 0.636 0.273 CB 1.085 Z: 16 12.956 1.641 0.261 0.903 0.933 0.933 CB 1.235 16 residues pruned to eliminate duplicates Z: 16 14.726 1.653 0.624 0.871 0.933 0.733 CB 1.107 16 residues pruned to eliminate duplicates Z: 7 6.769 1.789 0.491 0.904 1.000 1.000 CB 0.738 7 residues pruned to eliminate duplicates 6 1.566 1.750 0.255 0.885 1.000 1.000 CB 0.230 ? Z: 9 6.970 1.611 0.360 0.611 0.875 0.375 CB 1.157 4 residues pruned to eliminate duplicates Z: 18 21.947 1.843 0.600 0.873 1.000 0.706 CB 1.315 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 9.551 1.706 0.617 0.485 0.917 0.417 CB 1.107 10 residues pruned to eliminate duplicates Z: 11 8.090 1.783 0.487 0.565 1.000 0.600 CB 0.906 10 residues pruned to eliminate duplicates Z: 8 8.687 1.800 0.629 0.803 1.000 0.714 CB 0.859 8 residues pruned to eliminate duplicates Z: 18 18.233 1.881 0.546 0.892 1.000 0.765 CB 1.092 18 residues pruned to eliminate duplicates Z: 19 19.445 1.891 0.514 0.872 0.944 0.611 CB 1.235 19 residues pruned to eliminate duplicates Z: 16 17.562 1.886 0.533 0.763 0.933 0.733 CB 1.331 19 residues pruned to eliminate duplicates Z: 20 21.561 1.882 0.788 0.920 0.947 0.895 CB 1.093 19 residues pruned to eliminate duplicates Z: 14 19.422 1.867 0.858 0.898 0.923 0.846 CB 1.204 15 residues pruned to eliminate duplicates Z: 18 21.821 1.910 0.653 0.910 1.000 0.765 CB 1.189 18 residues pruned to eliminate duplicates Z: 19 23.424 1.889 0.786 0.849 0.944 0.778 CB 1.285 19 residues pruned to eliminate duplicates Z: 20 21.455 1.911 0.683 0.794 0.895 0.684 CB 1.322 20 residues pruned to eliminate duplicates Z: 18 25.286 1.916 0.823 0.900 1.000 0.882 CB 1.254 18 residues pruned to eliminate duplicates Z: 21 19.488 1.846 0.666 0.795 0.950 0.650 CB 1.152 21 residues pruned to eliminate duplicates Z: 18 25.217 1.905 0.813 0.912 1.000 0.824 CB 1.254 18 residues pruned to eliminate duplicates Z: 18 25.196 1.918 0.901 0.905 0.941 0.765 CB 1.268 18 residues pruned to eliminate duplicates Z: 19 26.089 1.910 0.974 0.906 1.000 0.889 CB 1.160 18 residues pruned to eliminate duplicates Z: 19 24.291 1.893 0.813 0.903 1.000 0.722 CB 1.189 19 residues pruned to eliminate duplicates Z: 18 23.197 1.926 0.712 0.891 1.000 0.706 CB 1.226 18 residues pruned to eliminate duplicates Z: 19 19.100 1.864 0.646 0.840 0.889 0.611 CB 1.232 19 residues pruned to eliminate duplicates Z: 18 26.420 1.886 0.878 0.888 1.000 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 18 25.979 1.841 0.988 0.892 1.000 0.765 CB 1.237 17 residues pruned to eliminate duplicates Z: 20 16.914 1.751 0.545 0.901 0.895 0.842 CB 1.144 18 residues pruned to eliminate duplicates Z: 16 15.137 1.759 0.779 0.905 0.933 0.733 CB 0.952 16 residues pruned to eliminate duplicates Z: 9 6.425 1.662 0.503 0.584 0.750 0.375 CB 1.119 10 residues pruned to eliminate duplicates Z: 20 19.431 1.777 0.691 0.906 1.000 0.842 CB 1.055 20 residues pruned to eliminate duplicates Z: 8 5.053 1.441 0.604 0.663 0.857 0.429 CB 0.829 8 residues pruned to eliminate duplicates Z: 39 19.583 1.755 0.846 0.698 0.868 0.474 CB 0.943 35 residues pruned to eliminate duplicates Z: 21 23.389 1.795 0.935 0.872 1.000 0.750 CB 1.097 33 residues pruned to eliminate duplicates Z: 19 18.434 1.788 0.616 0.915 1.000 0.889 CB 1.063 19 residues pruned to eliminate duplicates Z: 26 15.859 1.713 0.576 0.628 0.880 0.520 CB 1.184 26 residues pruned to eliminate duplicates Z: 15 19.027 1.789 0.963 0.753 0.929 0.643 CB 1.244 15 residues pruned to eliminate duplicates Z: 18 19.473 1.842 0.861 0.824 0.941 0.706 CB 1.105 18 residues pruned to eliminate duplicates Z: 26 16.016 1.747 0.658 0.596 0.880 0.600 CB 1.147 26 residues pruned to eliminate duplicates Z: 26 16.843 1.774 0.628 0.672 0.920 0.600 CB 1.081 26 residues pruned to eliminate duplicates Z: 14 20.226 1.838 0.951 0.762 1.000 0.462 CB 1.240 14 residues pruned to eliminate duplicates Z: 13 16.603 1.912 0.807 0.830 0.833 0.667 CB 1.251 13 residues pruned to eliminate duplicates Z: 15 18.279 1.864 0.678 0.778 0.929 0.643 CB 1.315 15 residues pruned to eliminate duplicates Z: 17 15.713 1.829 0.803 0.831 0.875 0.562 CB 1.023 17 residues pruned to eliminate duplicates Z: 17 16.267 1.837 0.838 0.826 0.812 0.625 CB 1.118 17 residues pruned to eliminate duplicates Z: 12 12.283 1.824 0.948 0.904 1.000 0.636 CB 0.742 12 residues pruned to eliminate duplicates Z: 22 16.209 1.749 0.835 0.784 0.857 0.476 CB 1.001 22 residues pruned to eliminate duplicates Z: 25 9.077 1.709 0.190 0.544 0.833 0.500 CB 1.047 23 residues pruned to eliminate duplicates Z: 15 8.957 1.714 0.381 0.865 1.000 0.714 CB 0.741 16 residues pruned to eliminate duplicates Z: 13 8.832 1.698 0.273 0.865 1.000 0.833 CB 0.864 13 residues pruned to eliminate duplicates Z: 13 7.375 1.604 0.517 0.640 0.833 0.333 CB 0.921 13 residues pruned to eliminate duplicates Z: 20 13.740 1.776 0.533 0.857 0.895 0.737 CB 0.954 20 residues pruned to eliminate duplicates Z: 23 14.079 1.809 0.534 0.784 0.955 0.773 CB 0.882 23 residues pruned to eliminate duplicates Z: 31 16.084 1.815 0.609 0.724 0.900 0.567 CB 0.913 31 residues pruned to eliminate duplicates Z: 17 15.098 1.821 0.510 0.877 0.938 0.875 CB 1.063 17 residues pruned to eliminate duplicates Z: 18 14.383 1.850 0.607 0.770 0.882 0.824 CB 1.048 18 residues pruned to eliminate duplicates Z: 14 10.919 1.834 0.495 0.746 1.000 0.769 CB 0.887 14 residues pruned to eliminate duplicates Z: 34 18.793 1.777 0.691 0.649 0.909 0.667 CB 1.043 32 residues pruned to eliminate duplicates Z: 19 15.446 1.832 0.572 0.898 1.000 0.833 CB 0.905 19 residues pruned to eliminate duplicates Z: 36 19.971 1.729 0.778 0.779 0.943 0.543 CB 0.910 36 residues pruned to eliminate duplicates Z: 20 14.377 1.835 0.585 0.864 0.947 0.737 CB 0.878 20 residues pruned to eliminate duplicates Z: 25 15.101 1.780 0.488 0.727 0.958 0.750 CB 0.990 25 residues pruned to eliminate duplicates Z: 31 14.768 1.700 0.610 0.617 0.900 0.467 CB 0.980 32 residues pruned to eliminate duplicates Z: 18 19.423 1.844 0.748 0.914 1.000 0.882 CB 1.034 18 residues pruned to eliminate duplicates Z: 19 11.820 1.847 0.737 0.595 0.889 0.611 CB 0.892 19 residues pruned to eliminate duplicates Z: 23 12.315 1.809 0.582 0.617 0.955 0.409 CB 0.861 23 residues pruned to eliminate duplicates Z: 17 11.513 1.882 0.661 0.714 0.938 0.688 CB 0.809 17 residues pruned to eliminate duplicates Z: 21 10.555 1.892 0.540 0.657 0.850 0.650 CB 0.824 21 residues pruned to eliminate duplicates Z: 30 13.006 1.772 0.851 0.751 0.793 0.448 CB 0.742 30 residues pruned to eliminate duplicates Z: 26 9.798 1.796 0.691 0.639 0.720 0.520 CB 0.787 26 residues pruned to eliminate duplicates Z: 21 8.886 1.780 0.756 0.583 0.800 0.450 CB 0.734 21 residues pruned to eliminate duplicates Z: 13 12.236 1.828 0.747 0.753 0.833 0.417 CB 1.059 13 residues pruned to eliminate duplicates Z: 29 14.523 1.850 0.462 0.694 0.893 0.643 CB 0.951 29 residues pruned to eliminate duplicates Z: 28 15.612 1.845 0.734 0.754 0.926 0.704 CB 0.809 28 residues pruned to eliminate duplicates Z: 19 10.580 1.692 0.692 0.681 0.667 0.556 CB 1.106 19 residues pruned to eliminate duplicates Z: 13 13.061 1.853 0.582 0.803 0.917 0.417 CB 1.076 13 residues pruned to eliminate duplicates Z: 38 20.872 1.793 0.752 0.784 0.919 0.541 CB 0.926 38 residues pruned to eliminate duplicates Z: 23 15.632 1.712 0.803 0.712 0.955 0.318 CB 0.934 23 residues pruned to eliminate duplicates Z: 17 13.221 1.775 0.837 0.865 0.938 0.438 CB 0.792 17 residues pruned to eliminate duplicates Z: 19 14.578 1.719 0.668 0.830 0.944 0.389 CB 0.954 19 residues pruned to eliminate duplicates Z: 8 5.789 1.517 0.509 0.517 0.857 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 6 8.406 1.622 0.546 0.771 1.000 0.800 CB 1.180 Z: 19 17.184 1.686 0.684 0.863 0.944 0.667 CB 1.107 25 residues pruned to eliminate duplicates Z: 9 3.088 1.473 0.479 0.354 0.750 0.500 CB 0.783 9 residues pruned to eliminate duplicates Z: 7 6.235 1.556 1.045 0.421 0.833 0.500 CB 1.042 14 residues pruned to eliminate duplicates Z: 10 8.900 1.599 0.823 0.779 0.889 0.667 CB 0.895 10 residues pruned to eliminate duplicates Z: 7 9.630 1.667 0.930 0.750 1.000 0.667 CB 0.977 7 residues pruned to eliminate duplicates Z: 21 11.334 1.691 0.605 0.662 0.900 0.700 CB 0.893 21 residues pruned to eliminate duplicates Z: 8 8.391 1.773 1.267 0.726 0.857 0.429 CB 0.751 8 residues pruned to eliminate duplicates Z: 22 13.076 1.713 0.909 0.728 0.905 0.762 CB 0.785 22 residues pruned to eliminate duplicates Z: 14 12.279 1.802 0.851 0.872 1.000 0.846 CB 0.744 14 residues pruned to eliminate duplicates Z: 19 11.819 1.726 0.745 0.757 0.944 0.833 CB 0.779 19 residues pruned to eliminate duplicates Z: 16 12.269 1.799 0.840 0.825 0.933 0.867 CB 0.774 16 residues pruned to eliminate duplicates Z: 16 15.064 1.737 1.017 0.845 0.933 0.867 CB 0.884 16 residues pruned to eliminate duplicates Z: 16 16.895 1.779 1.076 0.911 1.000 0.667 CB 0.837 17 residues pruned to eliminate duplicates Z: 9 10.632 1.830 1.020 0.870 1.000 0.625 CB 0.742 9 residues pruned to eliminate duplicates Z: 16 17.722 1.803 1.165 0.885 1.000 0.667 CB 0.846 16 residues pruned to eliminate duplicates Z: 16 12.902 1.770 1.018 0.884 0.867 0.400 CB 0.778 16 residues pruned to eliminate duplicates Z: 21 16.158 1.722 1.059 0.773 0.950 0.800 CB 0.843 21 residues pruned to eliminate duplicates Z: 18 12.496 1.697 1.156 0.840 0.824 0.412 CB 0.751 18 residues pruned to eliminate duplicates Z: 7 2.171 1.360 0.365 0.286 0.667 0.167 CB 0.912 3 residues pruned to eliminate duplicates Z: 15 13.629 1.623 0.785 0.732 1.000 0.643 CB 1.021 17 residues pruned to eliminate duplicates Z: 16 13.493 1.668 0.462 0.766 0.933 0.467 CB 1.209 16 residues pruned to eliminate duplicates Z: 7 2.414 1.404 0.199 0.256 0.833 0.000 O 0.929 7 residues pruned to eliminate duplicates Z: 16 14.375 1.599 0.660 0.651 1.000 0.400 N 1.215 15 residues pruned to eliminate duplicates Z: 19 20.280 1.615 0.703 0.876 1.000 0.722 CB 1.263 19 residues pruned to eliminate duplicates Z: 20 18.332 1.566 0.823 0.816 0.947 0.737 CB 1.181 21 residues pruned to eliminate duplicates Z: 19 17.182 1.620 0.769 0.794 0.889 0.556 CB 1.229 20 residues pruned to eliminate duplicates Z: 19 20.591 1.645 0.814 0.860 1.000 0.667 CB 1.196 19 residues pruned to eliminate duplicates Z: 17 15.110 1.606 0.800 0.799 0.875 0.438 CB 1.150 17 residues pruned to eliminate duplicates Z: 29 19.287 1.703 0.791 0.706 0.929 0.607 CB 1.068 28 residues pruned to eliminate duplicates Z: 17 12.172 1.575 0.886 0.852 0.688 0.562 CB 1.103 17 residues pruned to eliminate duplicates Z: 14 13.316 1.686 0.853 0.777 0.846 0.538 CB 1.094 14 residues pruned to eliminate duplicates Z: 15 16.207 1.690 0.861 0.770 1.000 0.357 CB 1.085 15 residues pruned to eliminate duplicates Z: 14 16.397 1.676 1.099 0.713 0.846 0.615 CB 1.260 14 residues pruned to eliminate duplicates Z: 14 18.747 1.700 0.930 0.857 1.000 0.846 CB 1.168 14 residues pruned to eliminate duplicates Z: 34 22.967 1.692 0.862 0.788 0.939 0.727 CB 1.049 34 residues pruned to eliminate duplicates Z: 20 18.606 1.617 0.734 0.801 0.947 0.526 CB 1.236 20 residues pruned to eliminate duplicates Z: 15 12.945 1.629 0.234 0.888 1.000 0.786 CB 1.239 15 residues pruned to eliminate duplicates Z: 17 15.005 1.623 0.514 0.856 0.938 0.750 CB 1.201 18 residues pruned to eliminate duplicates Z: 16 16.347 1.706 0.472 0.873 1.000 0.867 CB 1.224 15 residues pruned to eliminate duplicates Z: 16 11.734 1.688 0.272 0.845 0.933 0.800 CB 1.123 16 residues pruned to eliminate duplicates Z: 16 13.898 1.683 0.463 0.821 0.933 0.667 CB 1.182 16 residues pruned to eliminate duplicates Z: 15 12.823 1.723 0.682 0.736 0.857 0.643 CB 1.116 15 residues pruned to eliminate duplicates Z: 15 14.967 1.713 0.637 0.805 0.929 0.643 CB 1.177 15 residues pruned to eliminate duplicates Z: 16 12.463 1.678 0.499 0.751 0.933 0.467 CB 1.096 16 residues pruned to eliminate duplicates Z: 16 11.674 1.654 0.512 0.776 0.800 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 17 10.942 1.689 0.520 0.629 0.875 0.438 CB 1.079 13 residues pruned to eliminate duplicates Z: 17 15.614 1.664 0.544 0.859 0.938 0.750 CB 1.192 21 residues pruned to eliminate duplicates Z: 18 14.512 1.626 0.659 0.851 0.941 0.588 CB 1.026 18 residues pruned to eliminate duplicates Z: 13 12.537 1.704 0.623 0.739 0.917 0.750 CB 1.152 13 residues pruned to eliminate duplicates Z: 15 12.704 1.678 0.643 0.793 0.857 0.571 CB 1.111 15 residues pruned to eliminate duplicates Z: 18 9.550 1.634 0.421 0.640 0.882 0.647 CB 0.991 18 residues pruned to eliminate duplicates Z: 23 7.883 1.673 0.314 0.550 0.727 0.364 CB 1.001 23 residues pruned to eliminate duplicates Z: 37 16.557 1.691 0.352 0.660 0.889 0.444 CB 1.171 34 residues pruned to eliminate duplicates Z: 17 13.160 1.792 0.398 0.701 0.938 0.562 CB 1.167 17 residues pruned to eliminate duplicates Z: 18 13.670 1.851 0.425 0.659 0.882 0.765 CB 1.229 18 residues pruned to eliminate duplicates Z: 18 15.226 1.848 0.414 0.739 0.941 0.824 CB 1.212 19 residues pruned to eliminate duplicates Z: 16 17.469 1.721 0.523 0.927 1.000 1.000 CB 1.207 14 residues pruned to eliminate duplicates Z: 14 17.312 1.736 0.615 0.901 1.000 0.846 CB 1.222 14 residues pruned to eliminate duplicates Z: 14 15.016 1.811 0.563 0.816 0.923 0.769 CB 1.211 15 residues pruned to eliminate duplicates Z: 15 18.307 1.749 0.641 0.894 1.000 0.857 CB 1.223 15 residues pruned to eliminate duplicates Z: 13 16.431 1.828 0.488 0.840 1.000 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 37 18.185 1.717 0.566 0.694 0.861 0.667 CB 1.097 38 residues pruned to eliminate duplicates Z: 15 18.402 1.721 0.801 0.901 1.000 0.929 CB 1.133 15 residues pruned to eliminate duplicates Z: 16 15.385 1.673 0.743 0.751 0.933 0.600 CB 1.167 16 residues pruned to eliminate duplicates Z: 13 13.193 1.793 0.836 0.751 0.833 0.667 CB 1.110 13 residues pruned to eliminate duplicates Z: 21 12.925 1.707 0.535 0.623 0.900 0.500 CB 1.092 21 residues pruned to eliminate duplicates Z: 14 16.893 1.751 0.508 0.906 1.000 0.846 CB 1.262 14 residues pruned to eliminate duplicates Z: 20 15.567 1.802 0.469 0.783 0.842 0.842 CB 1.249 20 residues pruned to eliminate duplicates Z: 7 9.943 1.867 1.009 0.826 1.000 0.667 CB 0.816 7 residues pruned to eliminate duplicates Z: 24 9.161 1.778 0.632 0.555 0.783 0.522 CB 0.797 24 residues pruned to eliminate duplicates Z: 20 13.324 1.917 0.552 0.827 0.947 0.632 CB 0.817 20 residues pruned to eliminate duplicates Z: 7 4.186 1.704 0.700 0.710 1.000 0.833 CB 0.488 7 residues pruned to eliminate duplicates Z: 28 16.251 1.793 0.773 0.665 0.852 0.704 CB 0.991 28 residues pruned to eliminate duplicates Z: 16 15.266 1.975 0.729 0.905 1.000 0.867 CB 0.822 16 residues pruned to eliminate duplicates Z: 23 15.131 1.885 0.817 0.766 0.955 0.682 CB 0.780 23 residues pruned to eliminate duplicates Z: 23 15.101 1.873 0.740 0.765 1.000 0.682 CB 0.781 23 residues pruned to eliminate duplicates Z: 24 16.294 1.958 0.822 0.740 0.870 0.696 CB 0.883 24 residues pruned to eliminate duplicates Z: 15 14.410 1.985 1.004 0.670 0.929 0.643 CB 0.891 15 residues pruned to eliminate duplicates Z: 14 15.186 1.949 1.325 0.835 0.923 0.769 CB 0.755 14 residues pruned to eliminate duplicates Z: 22 14.732 1.861 1.032 0.601 0.810 0.476 CB 0.954 22 residues pruned to eliminate duplicates Z: 21 14.822 1.895 1.089 0.560 0.850 0.350 CB 0.929 21 residues pruned to eliminate duplicates Z: 18 12.574 1.933 0.886 0.632 0.882 0.647 CB 0.837 18 residues pruned to eliminate duplicates Z: 23 20.590 1.942 1.187 0.782 1.000 0.636 CB 0.807 23 residues pruned to eliminate duplicates Z: 23 17.465 1.854 0.969 0.768 0.955 0.636 CB 0.842 23 residues pruned to eliminate duplicates Z: 18 14.241 1.947 0.892 0.589 0.941 0.706 CB 0.914 18 residues pruned to eliminate duplicates Z: 17 14.152 2.001 0.976 0.674 0.812 0.562 CB 0.938 17 residues pruned to eliminate duplicates Z: 21 19.583 1.968 1.110 0.813 0.950 0.600 CB 0.846 21 residues pruned to eliminate duplicates Z: 34 29.193 1.998 0.863 0.745 0.879 0.576 CB 1.248 34 residues pruned to eliminate duplicates Z: 32 33.123 2.096 0.756 0.779 0.935 0.710 CB 1.350 32 residues pruned to eliminate duplicates Z: 43 29.901 1.983 0.738 0.767 0.905 0.667 CB 1.167 43 residues pruned to eliminate duplicates Z: 33 28.612 2.015 0.904 0.781 0.938 0.719 CB 1.098 33 residues pruned to eliminate duplicates Z: 40 30.987 2.007 0.707 0.826 0.949 0.769 CB 1.151 40 residues pruned to eliminate duplicates Z: 23 24.146 1.956 0.617 0.690 0.909 0.636 N 1.505 23 residues pruned to eliminate duplicates Z: 38 28.624 1.985 0.725 0.757 0.865 0.595 CB 1.265 38 residues pruned to eliminate duplicates Z: 39 35.331 2.028 0.855 0.809 0.947 0.711 CB 1.229 38 residues pruned to eliminate duplicates Z: 20 30.433 2.002 0.972 0.837 1.000 0.684 CB 1.322 20 residues pruned to eliminate duplicates Z: 20 28.727 1.942 0.937 0.810 1.000 0.579 CB 1.337 20 residues pruned to eliminate duplicates Z: 62 38.495 2.003 0.731 0.789 0.918 0.754 CB 1.201 59 residues pruned to eliminate duplicates Z: 20 30.655 2.008 0.775 0.791 1.000 0.526 CB 1.528 20 residues pruned to eliminate duplicates Z: 34 34.639 2.034 0.914 0.776 0.909 0.606 CB 1.335 34 residues pruned to eliminate duplicates Z: 41 38.945 1.992 0.954 0.779 0.950 0.800 CB 1.302 41 residues pruned to eliminate duplicates Z: 20 28.607 2.027 0.849 0.797 1.000 0.474 CB 1.349 20 residues pruned to eliminate duplicates Z: 38 39.942 2.048 1.036 0.823 0.946 0.730 CB 1.258 40 residues pruned to eliminate duplicates Z: 17 33.880 2.106 0.817 0.870 1.000 0.812 CB 1.615 17 residues pruned to eliminate duplicates Z: 45 31.142 1.954 0.823 0.722 0.909 0.659 CB 1.186 45 residues pruned to eliminate duplicates Z: 11 4.260 1.636 0.797 0.308 0.500 0.400 CB 1.135 11 residues pruned to eliminate duplicates Z: 51 32.021 1.984 0.682 0.746 0.860 0.640 CB 1.266 51 residues pruned to eliminate duplicates Z: 12 7.550 1.668 0.849 0.321 0.818 0.364 CB 1.099 12 residues pruned to eliminate duplicates Z: 10 3.729 1.731 0.366 0.239 0.667 0.444 CB 1.067 10 residues pruned to eliminate duplicates Z: 10 4.654 1.747 0.749 0.259 0.556 0.222 CB 1.204 10 residues pruned to eliminate duplicates Z: 9 4.138 1.629 0.449 0.323 0.625 0.250 CB 1.204 9 residues pruned to eliminate duplicates Z: 48 33.069 2.006 0.686 0.749 0.915 0.617 CB 1.249 48 residues pruned to eliminate duplicates Z: 57 39.003 2.026 0.767 0.726 0.875 0.696 CB 1.357 57 residues pruned to eliminate duplicates Z: 22 21.982 2.018 0.360 0.780 1.000 0.762 CB 1.365 22 residues pruned to eliminate duplicates Z: 25 20.454 1.993 0.482 0.736 0.917 0.750 CB 1.248 25 residues pruned to eliminate duplicates Z: 17 10.636 1.789 0.700 0.540 0.812 0.438 CB 1.035 17 residues pruned to eliminate duplicates Z: 25 18.820 1.958 0.605 0.746 0.875 0.625 CB 1.122 25 residues pruned to eliminate duplicates Z: 55 36.845 1.989 0.817 0.700 0.889 0.519 CB 1.300 55 residues pruned to eliminate duplicates Z: 66 40.585 1.981 0.808 0.742 0.938 0.662 CB 1.207 68 residues pruned to eliminate duplicates Z: 21 24.459 1.913 0.825 0.879 0.900 0.750 CB 1.262 21 residues pruned to eliminate duplicates Z: 25 25.553 1.959 0.839 0.759 1.000 0.625 CB 1.150 25 residues pruned to eliminate duplicates Z: 26 21.480 1.917 0.657 0.756 0.920 0.640 CB 1.171 26 residues pruned to eliminate duplicates Z: 46 35.419 2.020 0.719 0.716 0.889 0.622 CB 1.407 46 residues pruned to eliminate duplicates Z: 29 22.146 1.936 0.565 0.729 0.929 0.536 CB 1.211 29 residues pruned to eliminate duplicates Z: 28 22.307 1.995 0.776 0.716 0.889 0.630 CB 1.121 28 residues pruned to eliminate duplicates Z: 26 23.601 1.951 0.854 0.760 0.920 0.600 CB 1.126 26 residues pruned to eliminate duplicates Z: 54 33.500 1.990 0.761 0.651 0.887 0.604 CB 1.286 54 residues pruned to eliminate duplicates Z: 25 25.902 1.992 0.914 0.779 0.833 0.625 CB 1.300 22 residues pruned to eliminate duplicates Z: 20 29.666 2.023 1.030 0.904 0.947 0.684 CB 1.246 21 residues pruned to eliminate duplicates Z: 20 24.279 2.021 0.920 0.908 0.895 0.684 CB 1.140 20 residues pruned to eliminate duplicates Z: 21 18.406 1.970 0.613 0.778 0.900 0.750 CB 1.126 21 residues pruned to eliminate duplicates Z: 19 19.281 1.962 0.533 0.851 0.944 0.722 CB 1.184 18 residues pruned to eliminate duplicates Z: 18 15.536 1.970 0.351 0.868 0.941 0.882 CB 1.100 18 residues pruned to eliminate duplicates Z: 21 19.198 1.974 0.735 0.790 0.900 0.850 CB 1.079 22 residues pruned to eliminate duplicates Z: 17 20.650 1.987 0.673 0.901 0.938 0.875 CB 1.183 17 residues pruned to eliminate duplicates Z: 24 20.024 1.907 0.910 0.678 0.870 0.565 CB 1.119 24 residues pruned to eliminate duplicates Z: 20 23.684 1.892 1.037 0.888 0.895 0.789 CB 1.136 20 residues pruned to eliminate duplicates Z: 20 23.639 2.010 1.044 0.867 0.895 0.789 CB 1.079 20 residues pruned to eliminate duplicates Z: 21 22.396 1.998 0.906 0.791 0.950 0.700 CB 1.072 21 residues pruned to eliminate duplicates Z: 19 23.592 1.988 1.053 0.871 0.944 0.667 CB 1.052 19 residues pruned to eliminate duplicates Z: 21 23.713 1.997 1.017 0.815 0.950 0.650 CB 1.054 21 residues pruned to eliminate duplicates Z: 15 17.285 2.030 0.870 0.706 0.857 0.286 CB 1.178 15 residues pruned to eliminate duplicates Z: 29 17.158 1.846 0.830 0.615 0.786 0.357 CB 1.096 30 residues pruned to eliminate duplicates Z: 10 18.224 2.142 1.251 0.902 1.000 0.778 CB 0.899 10 residues pruned to eliminate duplicates Z: 18 26.976 1.909 1.243 0.895 1.000 0.706 CB 1.095 18 residues pruned to eliminate duplicates Z: 20 20.825 1.918 1.049 0.789 0.842 0.526 CB 1.120 20 residues pruned to eliminate duplicates Z: 23 21.175 1.924 0.716 0.714 0.864 0.591 CB 1.304 22 residues pruned to eliminate duplicates Z: 16 17.773 1.934 0.579 0.813 0.933 0.733 CB 1.227 16 residues pruned to eliminate duplicates Z: 38 29.436 1.958 0.646 0.814 0.946 0.703 CB 1.208 38 residues pruned to eliminate duplicates Z: 16 15.248 1.927 0.624 0.803 0.800 0.800 CB 1.207 16 residues pruned to eliminate duplicates Z: 21 19.393 1.894 0.503 0.736 0.900 0.700 CB 1.370 21 residues pruned to eliminate duplicates Z: 12 13.750 1.836 0.683 0.579 0.909 0.545 CB 1.368 12 residues pruned to eliminate duplicates Z: 15 20.964 1.896 0.629 0.761 1.000 0.643 CB 1.438 15 residues pruned to eliminate duplicates Z: 19 23.158 1.951 0.801 0.823 0.944 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 17 20.602 1.937 0.625 0.814 0.938 0.750 CB 1.328 17 residues pruned to eliminate duplicates Z: 16 29.291 2.016 0.903 0.850 1.000 0.600 CB 1.460 17 residues pruned to eliminate duplicates Z: 17 29.482 2.015 0.736 0.896 1.000 0.812 CB 1.509 17 residues pruned to eliminate duplicates Z: 20 22.576 1.938 0.725 0.767 0.895 0.526 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 21.134 1.913 0.602 0.761 0.900 0.550 CB 1.359 21 residues pruned to eliminate duplicates Z: 18 26.135 1.973 0.738 0.831 0.941 0.706 CB 1.475 18 residues pruned to eliminate duplicates Z: 17 24.405 1.980 0.761 0.820 0.938 0.750 CB 1.414 17 residues pruned to eliminate duplicates Z: 16 28.491 2.026 0.683 0.876 1.000 0.733 CB 1.567 16 residues pruned to eliminate duplicates Z: 20 24.411 1.894 0.777 0.833 0.947 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 19 19.299 1.920 0.508 0.807 0.889 0.500 CB 1.352 19 residues pruned to eliminate duplicates Z: 18 11.484 1.752 0.512 0.544 0.882 0.471 CB 1.142 18 residues pruned to eliminate duplicates Z: 13 9.004 1.535 0.541 0.609 0.750 0.500 O 1.321 13 residues pruned to eliminate duplicates Z: 7 3.889 1.641 0.032 0.544 0.833 0.833 CB 1.078 7 residues pruned to eliminate duplicates Z: 13 12.065 1.670 0.693 0.445 0.917 0.500 CB 1.423 13 residues pruned to eliminate duplicates Z: 12 10.340 1.603 0.354 0.523 1.000 0.727 N 1.405 12 residues pruned to eliminate duplicates Z: 7 8.340 1.642 0.583 0.863 0.833 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 15 10.307 1.741 0.566 0.685 0.786 0.786 CB 1.085 15 residues pruned to eliminate duplicates Z: 17 14.434 1.680 0.585 0.826 0.938 0.750 CB 1.091 17 residues pruned to eliminate duplicates Z: 13 15.188 1.735 0.798 0.820 0.917 0.917 CB 1.161 13 residues pruned to eliminate duplicates Z: 14 13.419 1.693 0.931 0.875 0.923 0.846 CB 0.897 14 residues pruned to eliminate duplicates Z: 20 14.036 1.898 0.496 0.809 0.895 0.737 CB 0.968 20 residues pruned to eliminate duplicates Z: 16 17.210 1.962 0.720 0.810 0.867 0.733 CB 1.160 16 residues pruned to eliminate duplicates Z: 16 14.571 1.916 0.738 0.801 0.933 0.667 CB 0.930 16 residues pruned to eliminate duplicates Z: 17 13.799 1.911 0.670 0.713 0.875 0.625 CB 1.019 17 residues pruned to eliminate duplicates Z: 18 18.151 1.953 0.710 0.780 0.941 0.529 CB 1.094 18 residues pruned to eliminate duplicates Z: 17 18.169 1.960 0.639 0.762 1.000 0.562 CB 1.120 17 residues pruned to eliminate duplicates Z: 16 12.331 1.965 0.744 0.654 0.800 0.467 CB 1.006 16 residues pruned to eliminate duplicates Z: 15 17.532 1.948 1.132 0.803 0.857 0.571 CB 1.010 15 residues pruned to eliminate duplicates Z: 10 16.505 2.067 1.126 0.770 0.889 0.556 CB 1.110 10 residues pruned to eliminate duplicates Z: 16 14.292 1.945 0.918 0.708 0.800 0.333 CB 1.023 16 residues pruned to eliminate duplicates Z: 18 15.080 1.948 0.781 0.686 0.882 0.588 CB 1.007 18 residues pruned to eliminate duplicates Z: 18 11.548 1.898 0.687 0.545 0.765 0.529 CB 1.095 18 residues pruned to eliminate duplicates Z: 34 22.266 1.860 0.629 0.844 0.970 0.758 CB 0.982 36 residues pruned to eliminate duplicates Z: 15 14.375 1.795 0.461 0.778 1.000 0.643 CB 1.147 15 residues pruned to eliminate duplicates Z: 22 18.397 1.915 0.663 0.779 0.905 0.714 CB 1.089 22 residues pruned to eliminate duplicates Z: 37 24.235 1.822 0.733 0.801 0.917 0.667 CB 1.072 37 residues pruned to eliminate duplicates Z: 13 14.117 1.854 0.795 0.876 1.000 0.667 CB 0.890 13 residues pruned to eliminate duplicates Z: 32 23.720 1.846 0.761 0.762 0.903 0.742 CB 1.150 29 residues pruned to eliminate duplicates Z: 16 12.109 1.728 0.636 0.725 0.867 0.600 CB 1.041 16 residues pruned to eliminate duplicates Z: 30 21.177 1.897 0.845 0.734 0.862 0.759 CB 1.057 30 residues pruned to eliminate duplicates Z: 35 22.419 1.854 0.667 0.830 0.912 0.765 CB 1.026 35 residues pruned to eliminate duplicates Z: 29 20.427 1.867 0.949 0.826 0.964 0.607 CB 0.830 29 residues pruned to eliminate duplicates Z: 29 18.246 1.862 0.734 0.704 0.821 0.714 CB 1.079 29 residues pruned to eliminate duplicates Z: 38 24.690 1.843 0.711 0.794 0.946 0.676 CB 1.052 38 residues pruned to eliminate duplicates Z: 30 21.793 1.862 0.850 0.779 0.862 0.655 CB 1.066 30 residues pruned to eliminate duplicates Z: 29 18.242 1.749 0.738 0.734 0.893 0.643 CB 1.029 27 residues pruned to eliminate duplicates Z: 19 16.034 1.730 0.682 0.866 0.944 0.667 CB 1.008 19 residues pruned to eliminate duplicates Z: 21 13.839 1.654 0.668 0.747 0.950 0.650 CB 0.947 21 residues pruned to eliminate duplicates Z: 6 2.961 1.466 0.731 0.532 0.600 0.400 CB 0.842 6 residues pruned to eliminate duplicates Z: 21 18.464 1.906 0.510 0.887 0.950 0.750 CB 1.089 21 residues pruned to eliminate duplicates Z: 16 13.514 1.844 0.419 0.797 1.000 0.800 CB 1.028 16 residues pruned to eliminate duplicates Z: 9 7.575 1.782 0.786 0.766 0.875 0.625 CB 0.759 9 residues pruned to eliminate duplicates Z: 20 17.064 1.825 0.790 0.776 0.947 0.632 CB 0.992 20 residues pruned to eliminate duplicates Z: 21 12.711 1.787 0.552 0.779 0.850 0.600 CB 0.942 21 residues pruned to eliminate duplicates Z: 20 16.357 1.963 0.682 0.855 0.895 0.789 CB 0.937 20 residues pruned to eliminate duplicates Z: 21 19.023 1.878 0.697 0.800 0.900 0.800 CB 1.141 21 residues pruned to eliminate duplicates Z: 32 22.933 1.856 0.734 0.685 0.903 0.677 CB 1.196 54 residues pruned to eliminate duplicates Z: 19 21.678 1.938 0.746 0.923 1.000 0.833 CB 1.061 Z: 21 16.809 1.892 0.509 0.897 0.950 0.650 CB 0.992 19 residues pruned to eliminate duplicates Z: 15 12.812 1.713 0.710 0.895 0.857 0.500 CB 0.977 15 residues pruned to eliminate duplicates Z: 24 16.809 1.859 0.646 0.758 0.826 0.435 CB 1.102 24 residues pruned to eliminate duplicates Z: 17 17.307 1.878 0.954 0.799 0.938 0.375 CB 0.968 17 residues pruned to eliminate duplicates Z: 13 18.459 1.920 1.094 0.841 1.000 0.583 CB 0.988 13 residues pruned to eliminate duplicates Z: 15 14.511 1.835 1.089 0.724 0.857 0.429 CB 0.965 15 residues pruned to eliminate duplicates Z: 16 17.940 1.908 1.069 0.790 0.867 0.400 CB 1.050 16 residues pruned to eliminate duplicates Z: 17 15.260 1.874 0.898 0.646 0.938 0.062 CB 0.999 17 residues pruned to eliminate duplicates Z: 23 15.323 1.826 0.776 0.737 0.773 0.455 CB 1.054 22 residues pruned to eliminate duplicates Z: 13 11.904 1.806 0.356 0.754 1.000 0.667 CB 1.119 13 residues pruned to eliminate duplicates Z: 26 20.794 1.858 0.710 0.684 1.000 0.480 CB 1.106 26 residues pruned to eliminate duplicates Z: 32 21.276 1.797 0.655 0.681 0.968 0.290 CB 1.124 32 residues pruned to eliminate duplicates Z: 32 22.940 1.873 0.623 0.778 0.968 0.581 CB 1.096 32 residues pruned to eliminate duplicates Z: 22 14.398 1.811 0.660 0.749 0.857 0.619 CB 0.976 22 residues pruned to eliminate duplicates Z: 36 21.113 1.856 0.813 0.776 0.943 0.514 CB 0.882 37 residues pruned to eliminate duplicates Z: 11 9.193 1.755 0.593 0.850 0.900 0.800 CB 0.856 11 residues pruned to eliminate duplicates Z: 14 12.047 1.779 0.505 0.642 0.923 0.692 CB 1.183 14 residues pruned to eliminate duplicates Z: 16 12.203 1.691 0.795 0.612 0.933 0.667 CB 1.000 16 residues pruned to eliminate duplicates Z: 30 17.173 1.724 0.820 0.587 0.862 0.552 CB 1.085 30 residues pruned to eliminate duplicates Z: 34 25.093 1.884 0.715 0.814 0.970 0.758 CB 1.061 36 residues pruned to eliminate duplicates Z: 18 13.886 1.775 0.551 0.835 0.882 0.765 CB 1.038 13 residues pruned to eliminate duplicates Z: 18 16.222 1.806 0.560 0.875 0.941 0.941 CB 1.079 18 residues pruned to eliminate duplicates Z: 18 15.403 1.789 0.466 0.852 0.941 0.882 CB 1.119 18 residues pruned to eliminate duplicates Z: 20 17.271 1.790 0.585 0.825 0.947 0.737 CB 1.113 20 residues pruned to eliminate duplicates Z: 17 16.214 1.828 0.638 0.909 0.938 0.625 CB 1.025 18 residues pruned to eliminate duplicates Z: 17 19.169 1.799 0.898 0.811 1.000 0.625 CB 1.070 17 residues pruned to eliminate duplicates Z: 18 16.611 1.756 0.787 0.856 0.941 0.471 CB 1.006 18 residues pruned to eliminate duplicates Z: 36 23.488 1.843 0.462 0.782 0.914 0.743 CB 1.257 60 residues pruned to eliminate duplicates Z: 23 24.247 1.986 0.578 0.908 0.955 0.864 CB 1.227 23 residues pruned to eliminate duplicates Z: 14 15.322 1.945 0.384 0.854 0.923 0.846 CB 1.263 14 residues pruned to eliminate duplicates Z: 20 20.321 1.993 0.514 0.821 1.000 0.842 CB 1.170 20 residues pruned to eliminate duplicates Z: 14 16.976 1.930 0.532 0.864 0.923 0.846 CB 1.264 15 residues pruned to eliminate duplicates Z: 22 24.110 1.955 0.593 0.922 0.952 0.952 CB 1.248 22 residues pruned to eliminate duplicates Z: 34 23.856 1.847 0.566 0.737 0.939 0.727 CB 1.235 50 residues pruned to eliminate duplicates Z: 16 12.344 1.785 0.486 0.773 0.867 0.733 CB 1.089 16 residues pruned to eliminate duplicates Z: 24 22.923 1.966 0.538 0.824 0.957 0.739 CB 1.249 24 residues pruned to eliminate duplicates Z: 22 22.924 1.964 0.600 0.893 0.952 0.762 CB 1.200 22 residues pruned to eliminate duplicates Z: 22 27.739 2.057 0.709 0.890 0.952 0.905 CB 1.302 22 residues pruned to eliminate duplicates Z: 22 26.422 2.034 0.670 0.890 0.952 0.857 CB 1.282 22 residues pruned to eliminate duplicates Z: 27 21.234 1.903 0.619 0.766 0.885 0.731 CB 1.207 27 residues pruned to eliminate duplicates Z: 21 30.005 2.066 0.755 0.936 1.000 0.950 CB 1.288 21 residues pruned to eliminate duplicates Z: 21 28.192 2.054 0.816 0.924 0.900 0.900 CB 1.319 21 residues pruned to eliminate duplicates Z: 34 28.316 1.936 0.688 0.774 0.879 0.606 CB 1.347 34 residues pruned to eliminate duplicates Z: 32 25.854 1.996 0.495 0.742 0.903 0.806 CB 1.387 32 residues pruned to eliminate duplicates Z: 41 30.849 1.883 0.710 0.778 0.950 0.600 CB 1.247 40 residues pruned to eliminate duplicates Z: 26 26.257 1.975 0.887 0.793 0.920 0.840 CB 1.185 26 residues pruned to eliminate duplicates Z: 25 26.006 1.974 0.743 0.760 0.958 0.792 CB 1.277 25 residues pruned to eliminate duplicates Z: 16 18.310 1.936 0.773 0.666 0.867 0.533 CB 1.364 16 residues pruned to eliminate duplicates Z: 41 30.888 1.939 0.804 0.715 0.925 0.700 CB 1.242 41 residues pruned to eliminate duplicates Z: 34 34.361 2.037 0.820 0.809 0.939 0.697 CB 1.312 34 residues pruned to eliminate duplicates Z: 36 33.284 1.982 0.889 0.749 0.943 0.600 CB 1.275 36 residues pruned to eliminate duplicates Z: 35 35.937 1.987 0.954 0.797 0.941 0.735 CB 1.300 35 residues pruned to eliminate duplicates Z: 39 34.527 1.993 0.872 0.819 0.921 0.684 CB 1.236 39 residues pruned to eliminate duplicates Z: 13 21.610 2.044 1.010 0.695 0.917 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 32 24.055 1.909 1.107 0.663 0.839 0.548 CB 1.101 32 residues pruned to eliminate duplicates Z: 35 33.984 2.015 0.861 0.776 0.912 0.529 CB 1.336 35 residues pruned to eliminate duplicates Z: 37 31.545 1.954 0.943 0.813 0.917 0.611 CB 1.151 37 residues pruned to eliminate duplicates Z: 40 29.843 1.901 0.813 0.764 0.923 0.538 CB 1.188 40 residues pruned to eliminate duplicates Z: 43 27.765 1.874 0.747 0.766 0.905 0.762 CB 1.143 51 residues pruned to eliminate duplicates Z: 43 36.032 1.930 0.975 0.807 0.976 0.690 CB 1.143 43 residues pruned to eliminate duplicates Z: 42 34.017 1.931 0.955 0.778 0.927 0.512 CB 1.188 42 residues pruned to eliminate duplicates Z: 40 38.323 1.972 0.862 0.867 0.974 0.769 CB 1.255 39 residues pruned to eliminate duplicates Z: 19 28.127 1.915 0.878 0.898 1.000 0.833 CB 1.319 18 residues pruned to eliminate duplicates Z: 23 29.221 1.891 1.033 0.796 0.909 0.545 CB 1.376 23 residues pruned to eliminate duplicates Z: 19 21.320 1.934 0.830 0.883 0.833 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 41 33.259 1.950 0.812 0.769 0.925 0.650 CB 1.267 41 residues pruned to eliminate duplicates Z: 6 3.728 1.590 0.079 0.653 1.000 0.400 CB 0.843 Z: 19 14.494 1.736 0.614 0.903 0.944 0.778 CB 0.921 19 residues pruned to eliminate duplicates Z: 9 9.425 1.767 0.945 0.672 0.875 0.250 CB 0.946 9 residues pruned to eliminate duplicates Z: 11 10.501 1.811 0.787 0.732 0.800 0.300 CB 1.040 11 residues pruned to eliminate duplicates Z: 11 13.172 1.847 0.896 0.758 0.800 0.300 CB 1.182 11 residues pruned to eliminate duplicates Z: 19 14.898 1.799 0.734 0.790 0.889 0.556 CB 0.982 19 residues pruned to eliminate duplicates Z: 11 10.135 1.813 0.723 0.714 0.900 0.300 CB 0.940 11 residues pruned to eliminate duplicates Z: 12 9.262 1.765 0.984 0.679 0.727 0.727 CB 0.930 12 residues pruned to eliminate duplicates Z: 19 15.580 1.825 0.797 0.864 0.944 0.778 CB 0.869 19 residues pruned to eliminate duplicates Z: 10 10.425 1.886 0.599 0.727 0.889 0.667 CB 1.056 10 residues pruned to eliminate duplicates Z: 21 16.078 1.945 0.602 0.640 0.850 0.750 CB 1.191 21 residues pruned to eliminate duplicates Z: 18 13.230 1.795 0.866 0.741 0.824 0.588 CB 0.937 18 residues pruned to eliminate duplicates Z: 19 13.300 1.798 0.928 0.813 0.944 0.667 CB 0.729 19 residues pruned to eliminate duplicates Z: 18 19.460 1.766 1.001 0.825 0.882 0.412 CB 1.142 18 residues pruned to eliminate duplicates Z: 37 28.132 1.842 0.869 0.769 0.889 0.639 CB 1.207 37 residues pruned to eliminate duplicates Z: 17 16.781 1.775 0.928 0.819 0.875 0.562 CB 1.062 17 residues pruned to eliminate duplicates Z: 25 14.393 1.713 0.825 0.629 0.792 0.583 CB 1.052 25 residues pruned to eliminate duplicates Z: 13 12.717 1.977 0.418 0.587 0.917 0.667 CB 1.314 13 residues pruned to eliminate duplicates Z: 18 17.783 1.937 0.474 0.739 0.941 0.824 CB 1.295 18 residues pruned to eliminate duplicates Z: 12 11.193 1.962 0.391 0.627 0.909 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 18 19.242 1.933 0.542 0.827 1.000 0.882 CB 1.180 18 residues pruned to eliminate duplicates Z: 20 21.809 1.930 0.666 0.790 0.947 0.737 CB 1.273 20 residues pruned to eliminate duplicates Z: 12 13.328 1.913 0.640 0.902 0.909 0.545 CB 1.005 12 residues pruned to eliminate duplicates Z: 30 20.293 1.875 0.912 0.704 0.862 0.552 CB 1.012 30 residues pruned to eliminate duplicates Z: 35 19.017 1.840 0.688 0.668 0.882 0.588 CB 1.019 35 residues pruned to eliminate duplicates Z: 19 22.464 1.927 0.629 0.829 0.944 0.778 CB 1.344 19 residues pruned to eliminate duplicates Z: 29 20.921 1.867 0.742 0.715 0.857 0.643 CB 1.167 29 residues pruned to eliminate duplicates Z: 33 19.770 1.881 0.699 0.678 0.844 0.625 CB 1.100 33 residues pruned to eliminate duplicates Z: 25 15.930 1.789 0.617 0.666 0.917 0.583 CB 1.051 25 residues pruned to eliminate duplicates Z: 21 18.455 1.894 0.641 0.736 0.900 0.600 CB 1.194 21 residues pruned to eliminate duplicates Z: 18 25.836 1.974 0.730 0.846 1.000 0.588 CB 1.362 18 residues pruned to eliminate duplicates Z: 30 21.069 1.896 0.733 0.685 0.897 0.517 CB 1.120 30 residues pruned to eliminate duplicates Z: 38 25.768 1.862 0.843 0.819 0.946 0.649 CB 0.989 38 residues pruned to eliminate duplicates Z: 30 24.370 1.869 0.746 0.709 0.897 0.448 CB 1.279 30 residues pruned to eliminate duplicates Z: 24 18.361 1.919 0.610 0.644 0.913 0.609 CB 1.187 20 residues pruned to eliminate duplicates Z: 19 18.141 1.877 0.468 0.915 0.944 0.944 CB 1.161 19 residues pruned to eliminate duplicates Z: 18 10.292 1.853 0.561 0.522 0.765 0.588 CB 1.104 18 residues pruned to eliminate duplicates Z: 19 17.806 1.907 0.767 0.638 0.889 0.667 CB 1.231 19 residues pruned to eliminate duplicates Z: 14 11.875 1.913 0.510 0.707 0.846 0.615 CB 1.117 14 residues pruned to eliminate duplicates Z: 15 7.779 1.817 0.226 0.548 0.786 0.571 CB 1.133 15 residues pruned to eliminate duplicates Z: 14 11.897 1.875 0.564 0.633 1.000 0.615 CB 0.993 14 residues pruned to eliminate duplicates Z: 17 11.224 1.848 0.678 0.505 0.812 0.625 CB 1.108 17 residues pruned to eliminate duplicates Z: 10 13.249 1.992 0.508 0.512 0.889 0.444 N 1.634 10 residues pruned to eliminate duplicates Z: 16 17.853 1.897 0.848 0.507 0.933 0.467 CB 1.399 16 residues pruned to eliminate duplicates Z: 9 10.935 1.686 0.699 0.602 0.875 0.625 N 1.400 9 residues pruned to eliminate duplicates Z: 12 21.016 1.922 0.796 0.867 0.909 0.636 CB 1.477 12 residues pruned to eliminate duplicates Z: 13 19.854 1.958 0.705 0.829 0.833 0.667 CB 1.550 13 residues pruned to eliminate duplicates Z: 42 16.556 1.770 0.719 0.387 0.805 0.488 CB 1.190 47 residues pruned to eliminate duplicates Z: 20 23.215 1.944 0.894 0.925 0.947 0.684 CB 1.072 20 residues pruned to eliminate duplicates Z: 13 10.253 1.761 1.067 0.513 0.583 0.167 CB 1.376 13 residues pruned to eliminate duplicates Z: 7 6.784 1.740 0.941 0.679 0.833 0.333 CB 0.835 7 residues pruned to eliminate duplicates Z: 18 6.322 1.747 0.293 0.371 0.706 0.471 CB 1.104 18 residues pruned to eliminate duplicates Z: 6 5.790 1.902 0.448 0.723 0.600 0.600 CB 1.282 6 residues pruned to eliminate duplicates Z: 11 12.122 1.940 0.998 0.620 0.600 0.400 CB 1.472 11 residues pruned to eliminate duplicates Z: 13 10.632 1.860 1.075 0.558 0.583 0.250 N 1.289 13 residues pruned to eliminate duplicates Z: 6 4.588 1.760 0.983 0.210 0.800 0.000 CB 1.035 Z: 14 17.975 1.897 0.344 0.898 1.000 0.769 CB 1.399 Z: 17 21.653 1.890 0.485 0.908 1.000 0.812 CB 1.370 31 residues pruned to eliminate duplicates Z: 20 12.897 1.934 0.408 0.645 0.789 0.632 CB 1.202 20 residues pruned to eliminate duplicates Z: 22 12.128 1.771 0.443 0.574 0.714 0.476 CB 1.350 28 residues pruned to eliminate duplicates Z: 19 12.974 1.924 0.233 0.647 0.889 0.611 CB 1.265 19 residues pruned to eliminate duplicates Z: 27 14.871 1.873 0.482 0.539 0.846 0.423 CB 1.195 27 residues pruned to eliminate duplicates Z: 18 16.017 1.922 0.412 0.724 0.882 0.471 CB 1.325 18 residues pruned to eliminate duplicates Z: 15 14.585 1.919 0.573 0.718 0.857 0.643 CB 1.237 15 residues pruned to eliminate duplicates Z: 17 18.606 1.906 0.570 0.774 0.938 0.250 CB 1.302 17 residues pruned to eliminate duplicates Z: 16 15.275 1.949 0.588 0.704 0.867 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 16 16.349 1.971 0.569 0.691 0.800 0.267 CB 1.432 16 residues pruned to eliminate duplicates Z: 36 19.957 1.864 0.477 0.620 0.857 0.571 CB 1.277 36 residues pruned to eliminate duplicates Z: 43 21.438 1.860 0.485 0.605 0.833 0.429 CB 1.300 43 residues pruned to eliminate duplicates Z: 27 18.507 1.870 0.555 0.553 0.885 0.462 CB 1.340 27 residues pruned to eliminate duplicates Z: 30 17.746 1.892 0.594 0.561 0.759 0.379 CB 1.358 30 residues pruned to eliminate duplicates Z: 23 15.629 1.927 0.294 0.588 0.864 0.545 CB 1.422 23 residues pruned to eliminate duplicates Z: 32 25.735 1.925 0.399 0.741 0.935 0.677 CB 1.478 32 residues pruned to eliminate duplicates Z: 30 18.847 1.898 0.350 0.634 0.897 0.517 CB 1.343 30 residues pruned to eliminate duplicates Z: 25 15.171 1.889 0.489 0.537 0.792 0.333 CB 1.341 25 residues pruned to eliminate duplicates Z: 46 25.199 1.907 0.569 0.596 0.844 0.489 CB 1.357 51 residues pruned to eliminate duplicates Z: 14 19.151 1.835 0.536 0.868 1.000 0.692 CB 1.378 14 residues pruned to eliminate duplicates Z: 13 16.958 1.877 0.434 0.737 1.000 0.750 CB 1.470 13 residues pruned to eliminate duplicates Z: 36 19.822 1.891 0.327 0.640 0.886 0.543 CB 1.323 36 residues pruned to eliminate duplicates Z: 41 21.781 1.877 0.372 0.600 0.875 0.550 CB 1.390 41 residues pruned to eliminate duplicates Z: 42 20.988 1.864 0.304 0.610 0.902 0.537 CB 1.346 42 residues pruned to eliminate duplicates Z: 30 23.155 1.952 0.367 0.674 0.931 0.621 CB 1.473 30 residues pruned to eliminate duplicates Z: 36 24.540 1.882 0.338 0.727 0.971 0.657 CB 1.382 36 residues pruned to eliminate duplicates Z: 20 15.243 1.931 0.509 0.549 0.789 0.526 CB 1.449 20 residues pruned to eliminate duplicates Z: 32 25.336 1.932 0.478 0.711 0.935 0.613 CB 1.407 32 residues pruned to eliminate duplicates Z: 15 16.885 1.863 0.408 0.775 0.929 0.643 CB 1.454 15 residues pruned to eliminate duplicates Z: 33 20.326 1.872 0.445 0.701 0.875 0.406 CB 1.264 33 residues pruned to eliminate duplicates Z: 36 23.463 1.868 0.508 0.707 0.857 0.514 CB 1.362 36 residues pruned to eliminate duplicates Z: 33 28.659 1.907 0.528 0.732 0.938 0.656 CB 1.505 33 residues pruned to eliminate duplicates Z: 22 24.917 1.953 0.530 0.923 0.952 0.905 CB 1.342 22 residues pruned to eliminate duplicates Z: 10 9.381 1.732 0.559 0.729 0.778 0.444 CB 1.212 10 residues pruned to eliminate duplicates Z: 23 22.302 1.977 0.461 0.813 0.955 0.727 CB 1.313 23 residues pruned to eliminate duplicates Z: 29 22.090 1.906 0.581 0.717 0.893 0.714 CB 1.275 29 residues pruned to eliminate duplicates Z: 22 26.964 2.017 0.777 0.862 0.905 0.857 CB 1.331 22 residues pruned to eliminate duplicates Z: 42 33.198 1.961 0.570 0.837 0.951 0.878 CB 1.324 42 residues pruned to eliminate duplicates Z: 20 26.137 1.940 0.684 0.911 1.000 0.895 CB 1.300 20 residues pruned to eliminate duplicates Z: 21 27.987 2.010 0.656 0.882 1.000 0.850 CB 1.361 21 residues pruned to eliminate duplicates Z: 17 26.752 2.006 0.804 0.844 0.938 0.875 CB 1.466 17 residues pruned to eliminate duplicates Z: 21 30.813 2.020 0.781 0.894 0.950 0.900 CB 1.447 21 residues pruned to eliminate duplicates Z: 27 24.561 1.905 0.686 0.798 0.923 0.769 CB 1.252 27 residues pruned to eliminate duplicates Z: 20 26.883 1.930 0.823 0.851 1.000 0.632 CB 1.298 20 residues pruned to eliminate duplicates Z: 38 33.553 1.994 0.740 0.801 0.892 0.811 CB 1.371 38 residues pruned to eliminate duplicates Z: 25 28.372 2.010 0.697 0.732 0.958 0.750 CB 1.438 25 residues pruned to eliminate duplicates Z: 23 28.298 2.041 0.602 0.792 0.955 0.864 CB 1.497 23 residues pruned to eliminate duplicates Z: 30 27.404 1.980 0.640 0.837 0.931 0.759 CB 1.259 30 residues pruned to eliminate duplicates Z: 24 27.078 2.007 0.712 0.757 0.913 0.783 CB 1.431 24 residues pruned to eliminate duplicates Z: 22 29.412 2.008 0.665 0.853 0.952 0.810 CB 1.491 22 residues pruned to eliminate duplicates Z: 40 35.874 1.987 0.658 0.858 0.974 0.795 CB 1.318 40 residues pruned to eliminate duplicates Z: 37 33.864 2.011 0.579 0.840 0.972 0.833 CB 1.364 37 residues pruned to eliminate duplicates Z: 41 28.546 1.924 0.533 0.780 0.925 0.675 CB 1.292 41 residues pruned to eliminate duplicates Z: 36 34.408 2.024 0.718 0.856 0.943 0.771 CB 1.309 36 residues pruned to eliminate duplicates Z: 43 33.535 1.957 0.618 0.816 0.952 0.762 CB 1.304 43 residues pruned to eliminate duplicates Z: 38 34.978 1.973 0.708 0.827 0.973 0.730 CB 1.322 38 residues pruned to eliminate duplicates Z: 42 36.050 1.969 0.582 0.863 0.951 0.756 CB 1.394 42 residues pruned to eliminate duplicates Z: 16 21.757 1.977 0.673 0.890 0.933 0.867 CB 1.309 16 residues pruned to eliminate duplicates Z: 21 25.030 1.945 0.600 0.842 0.950 0.650 CB 1.410 20 residues pruned to eliminate duplicates Z: 20 20.131 1.844 0.268 0.930 1.000 0.947 CB 1.381 20 residues pruned to eliminate duplicates Z: 40 34.666 2.001 0.600 0.844 0.949 0.897 CB 1.360 40 residues pruned to eliminate duplicates Z: 38 35.902 2.011 0.714 0.803 0.946 0.757 CB 1.389 39 residues pruned to eliminate duplicates Z: 20 23.476 1.872 0.527 0.907 0.947 0.895 CB 1.413 20 residues pruned to eliminate duplicates Z: 40 30.586 1.947 0.679 0.769 0.949 0.821 CB 1.245 39 residues pruned to eliminate duplicates Z: 20 22.876 1.882 0.507 0.895 1.000 0.789 CB 1.326 21 residues pruned to eliminate duplicates Z: 18 23.521 1.986 0.474 0.928 1.000 0.706 CB 1.365 18 residues pruned to eliminate duplicates Z: 42 34.979 1.974 0.648 0.843 0.976 0.829 CB 1.281 42 residues pruned to eliminate duplicates Z: 42 35.527 1.939 0.806 0.825 0.927 0.707 CB 1.290 41 residues pruned to eliminate duplicates Z: 21 21.905 1.752 0.655 0.911 0.950 0.750 CB 1.261 21 residues pruned to eliminate duplicates Z: 22 22.757 1.921 0.466 0.789 0.952 0.762 CB 1.436 22 residues pruned to eliminate duplicates Z: 22 23.606 1.919 0.557 0.786 0.952 0.714 CB 1.407 22 residues pruned to eliminate duplicates Z: 44 33.388 1.938 0.765 0.772 0.907 0.605 CB 1.290 44 residues pruned to eliminate duplicates Z: 19 8.249 1.771 0.614 0.486 0.833 0.500 CB 0.828 19 residues pruned to eliminate duplicates Z: 9 4.195 1.793 0.451 0.345 0.875 0.375 CB 0.771 9 residues pruned to eliminate duplicates Z: 8 3.385 1.820 0.072 0.257 0.857 0.143 CB 1.010 8 residues pruned to eliminate duplicates Z: 17 4.031 1.688 0.037 0.415 0.812 0.250 CB 0.774 10 residues pruned to eliminate duplicates Z: 7 5.164 1.910 0.828 0.538 0.833 0.500 CB 0.698 7 residues pruned to eliminate duplicates Z: 18 8.362 1.735 0.546 0.371 0.765 0.412 CB 1.135 18 residues pruned to eliminate duplicates Z: 14 11.057 1.872 0.808 0.611 0.846 0.692 CB 0.963 14 residues pruned to eliminate duplicates Z: 26 17.690 1.934 0.498 0.716 0.960 0.680 CB 1.045 26 residues pruned to eliminate duplicates Z: 20 15.133 1.925 0.554 0.729 1.000 0.895 CB 0.945 27 residues pruned to eliminate duplicates Z: 20 15.249 1.900 0.394 0.938 1.000 0.895 CB 0.919 20 residues pruned to eliminate duplicates Z: 24 21.650 1.974 0.791 0.785 0.957 0.696 CB 1.039 24 residues pruned to eliminate duplicates Z: 26 22.003 1.968 0.904 0.745 0.920 0.680 CB 1.025 26 residues pruned to eliminate duplicates Z: 29 21.010 1.911 0.829 0.713 0.893 0.714 CB 1.049 29 residues pruned to eliminate duplicates Z: 30 21.392 1.919 0.798 0.683 0.931 0.690 CB 1.045 25 residues pruned to eliminate duplicates Z: 20 22.986 2.040 0.784 0.911 0.947 0.789 CB 1.084 20 residues pruned to eliminate duplicates Z: 24 17.073 1.918 0.769 0.749 0.870 0.391 CB 0.966 24 residues pruned to eliminate duplicates Z: 42 24.456 1.879 0.665 0.705 0.878 0.634 CB 1.154 49 residues pruned to eliminate duplicates Z: 21 25.957 1.947 0.937 0.912 1.000 0.900 CB 1.090 21 residues pruned to eliminate duplicates Z: 27 19.455 1.976 0.798 0.680 0.923 0.692 CB 0.986 27 residues pruned to eliminate duplicates Z: 26 20.994 2.005 0.817 0.739 0.920 0.720 CB 1.011 26 residues pruned to eliminate duplicates Z: 27 16.185 1.857 0.940 0.639 0.808 0.346 CB 0.958 27 residues pruned to eliminate duplicates Z: 51 22.532 1.772 0.701 0.617 0.880 0.520 CB 1.076 51 residues pruned to eliminate duplicates Z: 26 20.996 1.909 1.001 0.688 0.880 0.600 CB 1.052 26 residues pruned to eliminate duplicates Z: 26 21.577 1.992 0.879 0.738 0.880 0.680 CB 1.059 26 residues pruned to eliminate duplicates Z: 33 22.480 1.958 0.755 0.689 0.906 0.688 CB 1.073 33 residues pruned to eliminate duplicates Z: 51 30.785 1.916 0.844 0.713 0.900 0.680 CB 1.129 63 residues pruned to eliminate duplicates Z: 20 23.807 1.792 0.812 0.831 0.947 0.737 CB 1.335 25 residues pruned to eliminate duplicates Z: 20 24.313 1.715 0.644 0.870 1.000 0.737 O 1.444 20 residues pruned to eliminate duplicates Z: 43 30.019 1.918 0.775 0.771 0.976 0.714 CB 1.097 43 residues pruned to eliminate duplicates Z: 46 28.114 1.918 0.665 0.733 0.933 0.622 CB 1.140 46 residues pruned to eliminate duplicates Z: 14 7.031 1.799 0.190 0.478 0.692 0.154 N 1.345 14 residues pruned to eliminate duplicates Z: 72 31.617 1.869 0.714 0.683 0.859 0.592 CB 1.152 84 residues pruned to eliminate duplicates Z: 19 23.635 1.798 0.584 0.879 0.944 0.833 CB 1.501 19 residues pruned to eliminate duplicates Z: 44 27.467 1.913 0.748 0.725 0.884 0.512 CB 1.158 44 residues pruned to eliminate duplicates Z: 45 28.898 1.903 0.703 0.751 0.932 0.591 CB 1.153 45 residues pruned to eliminate duplicates Z: 44 29.942 1.927 0.785 0.758 0.953 0.721 CB 1.107 44 residues pruned to eliminate duplicates Z: 47 25.766 1.884 0.730 0.678 0.913 0.478 CB 1.084 47 residues pruned to eliminate duplicates Z: 41 32.703 1.971 0.793 0.785 0.950 0.575 CB 1.199 41 residues pruned to eliminate duplicates Z: 21 20.306 1.807 0.710 0.734 0.850 0.450 CB 1.401 21 residues pruned to eliminate duplicates Z: 22 19.112 1.818 0.541 0.743 0.952 0.619 CB 1.258 22 residues pruned to eliminate duplicates Z: 45 27.943 1.921 0.732 0.725 0.932 0.523 CB 1.110 45 residues pruned to eliminate duplicates Z: 58 29.194 1.849 0.757 0.646 0.860 0.491 CB 1.208 57 residues pruned to eliminate duplicates Z: 19 22.566 1.790 0.550 0.828 1.000 0.833 CB 1.444 19 residues pruned to eliminate duplicates Z: 16 8.927 1.807 0.509 0.478 0.733 0.467 CB 1.178 16 residues pruned to eliminate duplicates Z: 44 29.378 1.945 0.859 0.743 0.907 0.558 CB 1.099 44 residues pruned to eliminate duplicates Z: 48 25.824 1.908 0.758 0.692 0.894 0.596 CB 1.054 48 residues pruned to eliminate duplicates Z: 60 26.880 1.829 0.678 0.615 0.881 0.424 CB 1.160 60 residues pruned to eliminate duplicates Z: 48 21.406 1.888 0.733 0.592 0.830 0.511 CB 1.054 48 residues pruned to eliminate duplicates Z: 70 31.543 1.902 0.681 0.756 0.899 0.652 CB 1.053 70 residues pruned to eliminate duplicates Z: 30 18.457 1.833 0.652 0.609 0.897 0.483 CB 1.138 30 residues pruned to eliminate duplicates Z: 59 27.536 1.883 0.702 0.650 0.897 0.552 CB 1.094 59 residues pruned to eliminate duplicates Z: 32 13.820 1.831 0.533 0.584 0.806 0.581 CB 1.012 32 residues pruned to eliminate duplicates Z: 62 36.449 1.953 0.693 0.773 0.918 0.574 CB 1.208 62 residues pruned to eliminate duplicates Z: 49 26.985 1.886 0.555 0.719 0.938 0.646 CB 1.163 49 residues pruned to eliminate duplicates Z: 63 32.201 1.923 0.774 0.696 0.919 0.548 CB 1.091 63 residues pruned to eliminate duplicates Z: 42 26.795 1.913 0.614 0.698 0.951 0.415 CB 1.189 42 residues pruned to eliminate duplicates Z: 13 18.691 1.984 0.713 0.825 0.917 0.583 CB 1.307 13 residues pruned to eliminate duplicates Z: 24 24.259 1.898 0.687 0.689 0.957 0.522 CB 1.389 24 residues pruned to eliminate duplicates Z: 58 28.655 1.921 0.514 0.708 0.825 0.561 CB 1.311 39 residues pruned to eliminate duplicates Z: 21 20.989 1.948 0.749 0.881 0.900 0.450 CB 1.108 21 residues pruned to eliminate duplicates Z: 74 35.047 1.911 0.729 0.711 0.932 0.534 CB 1.101 74 residues pruned to eliminate duplicates Z: 73 33.982 1.885 0.744 0.717 0.931 0.597 CB 1.075 73 residues pruned to eliminate duplicates Z: 47 32.000 1.895 0.782 0.725 0.913 0.370 CB 1.249 47 residues pruned to eliminate duplicates Z: 20 26.452 1.952 1.161 0.869 0.947 0.316 CB 1.109 20 residues pruned to eliminate duplicates Z: 30 22.560 1.853 0.820 0.715 0.931 0.448 CB 1.098 30 residues pruned to eliminate duplicates Z: 19 22.218 1.960 0.923 0.841 0.833 0.500 CB 1.243 19 residues pruned to eliminate duplicates Z: 12 7.313 1.677 0.953 0.509 0.636 0.273 N 1.048 Z: 20 27.877 1.974 1.115 0.923 0.947 0.526 CB 1.136 32 residues pruned to eliminate duplicates Z: 22 24.499 1.947 0.996 0.838 0.905 0.476 CB 1.136 22 residues pruned to eliminate duplicates Z: 44 26.423 1.895 0.649 0.731 0.907 0.674 CB 1.155 44 residues pruned to eliminate duplicates Z: 15 12.049 1.747 0.285 0.603 1.000 0.714 CB 1.301 15 residues pruned to eliminate duplicates Z: 15 16.416 1.943 0.190 0.805 1.000 0.929 CB 1.454 15 residues pruned to eliminate duplicates Z: 18 16.796 1.876 0.345 0.654 0.941 0.588 CB 1.487 18 residues pruned to eliminate duplicates Z: 105 43.263 1.912 0.700 0.704 0.913 0.567 CB 1.186 105 residues pruned to eliminate duplicates Z: 91 38.189 1.936 0.645 0.691 0.889 0.578 CB 1.194 91 residues pruned to eliminate duplicates Z: 21 15.635 1.895 0.350 0.719 0.850 0.700 CB 1.319 21 residues pruned to eliminate duplicates Z: 35 26.612 1.917 0.645 0.785 0.912 0.618 CB 1.235 35 residues pruned to eliminate duplicates Z: 17 14.246 1.902 0.326 0.724 0.875 0.688 CB 1.318 17 residues pruned to eliminate duplicates Z: 17 14.447 1.880 0.392 0.698 0.875 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 36 16.398 1.848 0.320 0.574 0.800 0.571 CB 1.323 36 residues pruned to eliminate duplicates Z: 32 24.722 1.866 0.667 0.713 0.968 0.548 CB 1.215 32 residues pruned to eliminate duplicates Z: 38 27.279 1.959 0.507 0.746 0.892 0.676 CB 1.368 38 residues pruned to eliminate duplicates Z: 20 17.366 1.930 0.447 0.767 0.895 0.789 CB 1.258 20 residues pruned to eliminate duplicates Z: 44 27.680 1.889 0.611 0.672 0.953 0.628 CB 1.242 44 residues pruned to eliminate duplicates Z: 26 15.543 1.856 0.278 0.611 0.840 0.640 CB 1.404 26 residues pruned to eliminate duplicates Z: 33 23.110 1.973 0.441 0.715 0.844 0.719 CB 1.401 34 residues pruned to eliminate duplicates Z: 19 19.863 1.878 0.474 0.845 1.000 0.778 CB 1.257 19 residues pruned to eliminate duplicates Z: 57 33.265 1.943 0.626 0.751 0.893 0.607 CB 1.260 57 residues pruned to eliminate duplicates Z: 36 28.420 1.990 0.569 0.782 0.886 0.743 CB 1.355 36 residues pruned to eliminate duplicates Z: 38 27.771 1.986 0.494 0.732 0.919 0.730 CB 1.359 38 residues pruned to eliminate duplicates Z: 35 22.787 1.923 0.366 0.668 0.941 0.647 CB 1.353 35 residues pruned to eliminate duplicates Z: 37 25.161 1.929 0.654 0.683 0.861 0.611 CB 1.291 37 residues pruned to eliminate duplicates Z: 21 19.116 1.972 0.682 0.731 0.950 0.900 CB 1.103 16 residues pruned to eliminate duplicates Z: 16 20.232 1.880 0.681 0.827 0.933 0.800 CB 1.335 16 residues pruned to eliminate duplicates Z: 23 16.836 1.814 0.545 0.635 0.909 0.727 CB 1.241 23 residues pruned to eliminate duplicates Z: 35 17.893 1.859 0.437 0.613 0.882 0.618 CB 1.169 35 residues pruned to eliminate duplicates Z: 14 27.393 1.997 0.809 0.922 1.000 1.000 CB 1.479 14 residues pruned to eliminate duplicates Z: 19 17.639 1.983 0.514 0.688 0.778 0.722 CB 1.498 19 residues pruned to eliminate duplicates Z: 18 19.266 1.918 0.587 0.709 0.882 0.647 CB 1.439 18 residues pruned to eliminate duplicates Z: 40 28.838 1.920 0.632 0.738 0.923 0.795 CB 1.289 40 residues pruned to eliminate duplicates Z: 38 28.822 1.980 0.545 0.762 0.892 0.730 CB 1.376 38 residues pruned to eliminate duplicates Z: 18 23.169 1.876 0.858 0.869 0.941 0.824 CB 1.251 18 residues pruned to eliminate duplicates Z: 37 24.890 1.934 0.532 0.718 0.833 0.639 CB 1.379 37 residues pruned to eliminate duplicates Z: 106 42.156 1.914 0.734 0.700 0.905 0.552 CB 1.142 105 residues pruned to eliminate duplicates Z: 16 21.898 1.882 0.772 0.818 0.933 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 105 39.620 1.917 0.658 0.675 0.885 0.606 CB 1.176 105 residues pruned to eliminate duplicates Z: 39 29.325 1.968 0.654 0.765 0.895 0.789 CB 1.291 39 residues pruned to eliminate duplicates Z: 16 25.757 2.018 0.866 0.920 0.933 0.933 CB 1.333 16 residues pruned to eliminate duplicates Z: 32 21.109 1.858 0.851 0.528 0.871 0.581 CB 1.231 22 residues pruned to eliminate duplicates Z: 18 25.101 2.053 0.474 0.902 1.000 0.765 CB 1.436 18 residues pruned to eliminate duplicates Z: 22 22.703 1.955 0.552 0.763 0.952 0.905 CB 1.358 22 residues pruned to eliminate duplicates Z: 22 22.969 1.965 0.552 0.778 0.905 0.762 CB 1.421 22 residues pruned to eliminate duplicates Z: 22 19.358 1.971 0.360 0.761 0.905 0.714 CB 1.381 22 residues pruned to eliminate duplicates Z: 21 22.635 1.957 0.408 0.798 1.000 0.700 CB 1.415 21 residues pruned to eliminate duplicates Z: 41 28.667 1.867 0.607 0.763 0.950 0.625 CB 1.259 56 residues pruned to eliminate duplicates Z: 18 23.961 2.043 0.483 0.900 1.000 0.824 CB 1.370 18 residues pruned to eliminate duplicates Z: 21 19.170 1.976 0.470 0.797 0.900 0.800 CB 1.264 21 residues pruned to eliminate duplicates Z: 26 23.640 1.922 0.602 0.733 0.960 0.720 CB 1.297 26 residues pruned to eliminate duplicates Z: 23 20.834 1.933 0.580 0.733 0.955 0.773 CB 1.236 23 residues pruned to eliminate duplicates Z: 20 25.076 2.043 0.513 0.825 1.000 0.737 CB 1.405 20 residues pruned to eliminate duplicates Z: 19 22.836 2.045 0.624 0.840 0.944 0.778 CB 1.281 20 residues pruned to eliminate duplicates Z: 18 26.305 2.074 0.595 0.925 1.000 0.941 CB 1.354 18 residues pruned to eliminate duplicates Z: 19 21.832 1.990 0.535 0.782 1.000 0.722 CB 1.314 19 residues pruned to eliminate duplicates Z: 21 20.444 1.939 0.702 0.728 0.900 0.600 CB 1.254 21 residues pruned to eliminate duplicates Z: 18 23.998 2.073 0.551 0.866 1.000 0.824 CB 1.326 18 residues pruned to eliminate duplicates Z: 30 18.404 1.881 0.525 0.590 0.828 0.483 CB 1.321 30 residues pruned to eliminate duplicates Z: 12 2.968 1.664 0.639 0.127 0.364 0.182 CB 1.439 12 residues pruned to eliminate duplicates 9 1.428 1.573 0.265 0.115 0.500 0.000 CB 0.825 ? Z: 40 26.795 1.988 0.405 0.740 0.897 0.821 CB 1.381 35 residues pruned to eliminate duplicates Z: 16 23.293 2.039 0.521 0.841 0.933 0.867 CB 1.549 16 residues pruned to eliminate duplicates Z: 19 18.878 2.030 0.452 0.705 0.889 0.778 CB 1.409 19 residues pruned to eliminate duplicates Z: 38 29.041 1.993 0.587 0.760 0.946 0.703 CB 1.267 38 residues pruned to eliminate duplicates Z: 43 28.257 1.939 0.688 0.653 0.881 0.619 CB 1.312 43 residues pruned to eliminate duplicates Z: 38 28.359 1.999 0.534 0.728 0.946 0.811 CB 1.309 44 residues pruned to eliminate duplicates Z: 17 28.948 2.086 0.723 0.810 0.938 0.750 CB 1.640 17 residues pruned to eliminate duplicates Z: 16 23.351 2.035 0.598 0.764 1.000 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 18 24.330 2.067 0.600 0.753 0.941 0.882 CB 1.513 18 residues pruned to eliminate duplicates Z: 18 28.015 2.032 0.697 0.739 0.941 0.824 CB 1.689 18 residues pruned to eliminate duplicates Z: 16 28.505 2.060 0.617 0.840 1.000 0.733 CB 1.648 16 residues pruned to eliminate duplicates Z: 16 32.780 2.091 0.820 0.850 1.000 0.800 CB 1.646 16 residues pruned to eliminate duplicates Z: 16 34.805 2.122 0.818 0.865 1.000 0.867 CB 1.707 16 residues pruned to eliminate duplicates Z: 16 32.857 2.066 0.799 0.916 1.000 0.867 CB 1.612 16 residues pruned to eliminate duplicates Z: 22 24.284 1.994 0.722 0.721 0.905 0.619 CB 1.397 22 residues pruned to eliminate duplicates Z: 19 23.625 2.005 0.696 0.737 0.889 0.778 CB 1.490 19 residues pruned to eliminate duplicates Z: 40 35.435 1.995 0.652 0.781 0.897 0.769 CB 1.498 40 residues pruned to eliminate duplicates Z: 13 16.523 1.928 0.640 0.886 1.000 0.917 CB 1.089 13 residues pruned to eliminate duplicates Z: 22 22.515 2.030 0.723 0.789 0.952 0.667 CB 1.144 22 residues pruned to eliminate duplicates Z: 26 20.618 1.915 0.752 0.745 0.880 0.600 CB 1.121 26 residues pruned to eliminate duplicates Z: 22 22.550 2.005 0.894 0.846 0.905 0.714 CB 1.064 22 residues pruned to eliminate duplicates Z: 20 18.992 1.991 0.808 0.806 0.895 0.421 CB 1.035 20 residues pruned to eliminate duplicates Z: 24 18.297 1.809 0.955 0.862 0.870 0.348 CB 0.911 24 residues pruned to eliminate duplicates Z: 23 19.422 1.929 0.659 0.818 0.955 0.545 CB 1.029 23 residues pruned to eliminate duplicates Z: 18 18.941 2.093 0.920 0.868 0.882 0.588 CB 0.947 18 residues pruned to eliminate duplicates Z: 35 27.271 1.948 0.690 0.824 0.941 0.706 CB 1.140 35 residues pruned to eliminate duplicates Z: 18 23.086 1.876 0.584 0.873 0.941 0.824 CB 1.458 19 residues pruned to eliminate duplicates Z: 14 22.793 1.931 0.548 0.884 1.000 1.000 CB 1.528 14 residues pruned to eliminate duplicates Z: 35 23.886 1.817 0.752 0.704 0.882 0.471 CB 1.212 35 residues pruned to eliminate duplicates Z: 26 22.731 2.043 0.600 0.768 0.880 0.680 CB 1.247 26 residues pruned to eliminate duplicates Z: 34 30.213 1.891 0.857 0.801 0.939 0.697 CB 1.226 34 residues pruned to eliminate duplicates Z: 12 9.421 1.565 0.614 0.648 1.000 0.636 N 0.980 12 residues pruned to eliminate duplicates Z: 31 25.335 1.843 0.800 0.717 0.900 0.367 CB 1.273 31 residues pruned to eliminate duplicates Z: 20 15.779 1.845 0.865 0.632 0.789 0.632 CB 1.178 20 residues pruned to eliminate duplicates Z: 38 32.626 1.936 0.767 0.809 0.946 0.649 CB 1.266 37 residues pruned to eliminate duplicates Z: 18 25.575 1.840 0.856 0.889 0.941 0.647 CB 1.389 18 residues pruned to eliminate duplicates Z: 36 33.268 1.916 1.002 0.814 0.943 0.514 CB 1.183 36 residues pruned to eliminate duplicates Z: 37 35.083 1.962 1.004 0.832 0.972 0.639 CB 1.149 36 residues pruned to eliminate duplicates Z: 18 27.391 1.886 0.775 0.917 0.941 0.706 CB 1.489 18 residues pruned to eliminate duplicates Z: 39 34.056 1.969 0.777 0.870 0.921 0.500 CB 1.251 40 residues pruned to eliminate duplicates Z: 21 21.903 1.764 0.816 0.784 0.850 0.650 N 1.401 21 residues pruned to eliminate duplicates Z: 40 29.885 1.928 0.699 0.809 0.923 0.641 CB 1.209 40 residues pruned to eliminate duplicates Z: 33 26.302 1.894 0.795 0.746 0.906 0.656 CB 1.211 33 residues pruned to eliminate duplicates Z: 19 26.378 1.898 0.753 0.825 1.000 0.833 CB 1.411 19 residues pruned to eliminate duplicates Z: 36 21.387 1.751 0.647 0.734 0.886 0.571 CB 1.147 20 residues pruned to eliminate duplicates Z: 22 18.520 1.868 0.571 0.816 0.857 0.667 CB 1.220 22 residues pruned to eliminate duplicates Z: 21 20.868 1.952 0.630 0.884 0.900 0.800 CB 1.178 21 residues pruned to eliminate duplicates Z: 18 15.763 1.818 0.549 0.786 1.000 0.706 CB 1.055 18 residues pruned to eliminate duplicates Z: 24 19.327 1.917 0.531 0.781 0.870 0.565 CB 1.233 24 residues pruned to eliminate duplicates Z: 18 13.985 1.989 0.587 0.704 0.824 0.529 CB 1.083 18 residues pruned to eliminate duplicates Z: 17 15.679 1.911 0.688 0.787 0.812 0.625 CB 1.162 17 residues pruned to eliminate duplicates Z: 21 23.339 2.013 0.697 0.813 0.950 0.750 CB 1.225 21 residues pruned to eliminate duplicates Z: 10 9.581 1.886 0.648 0.799 1.000 0.444 CB 0.791 10 residues pruned to eliminate duplicates Z: 22 23.690 1.977 0.725 0.892 0.952 0.667 CB 1.143 22 residues pruned to eliminate duplicates Z: 22 22.491 1.958 0.685 0.854 0.905 0.810 CB 1.214 22 residues pruned to eliminate duplicates Z: 6 4.311 1.488 0.357 0.710 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 9 9.779 1.596 0.612 0.718 0.875 0.625 CB 1.261 9 residues pruned to eliminate duplicates Z: 19 13.986 1.789 0.639 0.701 0.833 0.611 CB 1.123 19 residues pruned to eliminate duplicates Z: 18 12.016 1.811 0.501 0.745 0.765 0.588 CB 1.126 18 residues pruned to eliminate duplicates Z: 20 17.177 1.766 0.648 0.758 0.947 0.789 CB 1.136 20 residues pruned to eliminate duplicates Z: 25 25.150 1.892 0.470 0.909 1.000 0.917 CB 1.309 25 residues pruned to eliminate duplicates Z: 27 21.193 1.895 0.636 0.769 0.885 0.692 CB 1.194 27 residues pruned to eliminate duplicates Z: 18 15.139 1.805 0.379 0.733 0.941 0.647 CB 1.272 18 residues pruned to eliminate duplicates Z: 17 17.886 1.836 0.697 0.788 0.875 0.562 CB 1.274 17 residues pruned to eliminate duplicates Z: 17 15.971 1.891 0.703 0.736 0.875 0.562 CB 1.147 17 residues pruned to eliminate duplicates Z: 19 17.578 1.863 0.739 0.721 0.833 0.556 CB 1.257 19 residues pruned to eliminate duplicates Z: 28 23.454 1.930 0.670 0.788 0.926 0.741 CB 1.175 28 residues pruned to eliminate duplicates Z: 25 26.524 1.950 0.748 0.821 0.958 0.792 CB 1.254 25 residues pruned to eliminate duplicates Z: 28 22.916 1.953 0.597 0.757 0.889 0.704 CB 1.266 28 residues pruned to eliminate duplicates Z: 25 24.615 1.980 0.631 0.861 0.917 0.750 CB 1.247 25 residues pruned to eliminate duplicates Z: 26 25.212 1.956 0.789 0.792 0.880 0.760 CB 1.268 26 residues pruned to eliminate duplicates Z: 26 24.669 1.967 0.764 0.824 0.880 0.760 CB 1.220 26 residues pruned to eliminate duplicates Z: 24 26.665 2.032 0.788 0.815 0.913 0.696 CB 1.275 24 residues pruned to eliminate duplicates Z: 25 24.009 1.993 0.670 0.842 0.917 0.750 CB 1.198 25 residues pruned to eliminate duplicates Z: 38 29.624 1.938 0.664 0.746 0.892 0.514 CB 1.359 38 residues pruned to eliminate duplicates Z: 35 30.411 1.940 0.824 0.805 0.912 0.794 CB 1.239 35 residues pruned to eliminate duplicates Z: 29 28.487 1.990 0.633 0.678 0.964 0.786 CB 1.458 29 residues pruned to eliminate duplicates Z: 35 30.432 2.036 0.696 0.842 0.882 0.588 CB 1.277 35 residues pruned to eliminate duplicates Z: 39 29.721 1.964 0.580 0.794 0.895 0.711 CB 1.342 39 residues pruned to eliminate duplicates Z: 40 30.991 1.992 0.712 0.820 0.923 0.590 CB 1.195 40 residues pruned to eliminate duplicates Z: 37 35.230 1.979 0.881 0.785 0.917 0.611 CB 1.339 37 residues pruned to eliminate duplicates Z: 36 28.396 2.020 0.754 0.829 0.829 0.629 CB 1.230 36 residues pruned to eliminate duplicates Z: 41 33.599 1.964 0.713 0.781 0.900 0.675 CB 1.370 41 residues pruned to eliminate duplicates Z: 39 22.979 1.901 0.712 0.708 0.789 0.553 CB 1.202 39 residues pruned to eliminate duplicates Z: 40 29.476 1.965 0.589 0.741 0.897 0.641 CB 1.357 40 residues pruned to eliminate duplicates Z: 30 33.288 2.028 0.838 0.741 0.966 0.690 CB 1.384 30 residues pruned to eliminate duplicates Z: 13 24.198 2.037 0.855 0.789 0.917 0.667 CB 1.565 14 residues pruned to eliminate duplicates Z: 18 26.616 1.937 0.799 0.896 1.000 0.588 CB 1.328 18 residues pruned to eliminate duplicates Z: 17 22.848 1.945 0.762 0.887 0.938 0.812 CB 1.282 17 residues pruned to eliminate duplicates Z: 35 28.219 1.920 0.823 0.741 0.912 0.647 CB 1.222 53 residues pruned to eliminate duplicates Z: 18 21.160 2.007 0.643 0.801 0.882 0.706 CB 1.356 Z: 18 23.753 1.939 0.801 0.881 0.941 0.706 CB 1.269 18 residues pruned to eliminate duplicates Z: 17 22.811 1.952 0.883 0.841 0.938 0.625 CB 1.234 18 residues pruned to eliminate duplicates Z: 22 23.964 1.853 0.960 0.819 0.857 0.524 CB 1.274 20 residues pruned to eliminate duplicates Z: 18 21.373 1.767 1.043 0.898 0.882 0.588 CB 1.164 17 residues pruned to eliminate duplicates Z: 18 26.845 1.941 0.816 0.909 1.000 0.765 CB 1.311 18 residues pruned to eliminate duplicates Z: 21 17.630 1.851 0.874 0.743 0.800 0.450 CB 1.143 21 residues pruned to eliminate duplicates Z: 9 3.635 1.697 0.038 0.320 0.875 0.375 CB 1.016 Z: 25 23.178 1.870 0.719 0.805 0.958 0.833 CB 1.178 34 residues pruned to eliminate duplicates Z: 23 22.636 1.948 0.657 0.834 1.000 0.818 CB 1.121 23 residues pruned to eliminate duplicates Z: 13 9.938 1.757 0.523 0.644 0.917 0.500 CB 1.023 10 residues pruned to eliminate duplicates Z: 19 22.908 1.976 0.761 0.887 0.889 0.778 CB 1.259 19 residues pruned to eliminate duplicates Z: 14 17.823 1.964 0.744 0.696 0.923 0.692 CB 1.307 14 residues pruned to eliminate duplicates Z: 22 20.976 1.911 0.710 0.816 0.952 0.762 CB 1.117 22 residues pruned to eliminate duplicates Z: 41 24.715 1.870 0.597 0.761 0.925 0.625 CB 1.121 37 residues pruned to eliminate duplicates Z: 21 29.948 1.972 0.951 0.913 0.950 0.800 CB 1.297 21 residues pruned to eliminate duplicates Z: 18 28.311 2.029 0.916 0.921 0.941 0.706 CB 1.320 18 residues pruned to eliminate duplicates Z: 18 29.695 2.037 0.926 0.914 1.000 0.765 CB 1.299 18 residues pruned to eliminate duplicates Z: 19 27.383 2.017 0.840 0.936 1.000 0.833 CB 1.212 19 residues pruned to eliminate duplicates Z: 20 23.487 2.000 0.686 0.769 0.947 0.579 CB 1.328 20 residues pruned to eliminate duplicates Z: 19 25.240 1.950 0.915 0.858 1.000 0.722 CB 1.173 19 residues pruned to eliminate duplicates Z: 17 30.688 2.013 0.974 0.909 1.000 0.688 CB 1.370 17 residues pruned to eliminate duplicates Z: 27 18.976 1.903 0.896 0.684 0.846 0.538 CB 1.029 27 residues pruned to eliminate duplicates Z: 20 23.058 1.948 0.777 0.753 0.895 0.579 CB 1.362 20 residues pruned to eliminate duplicates Z: 19 21.978 2.004 0.768 0.759 0.833 0.333 CB 1.394 19 residues pruned to eliminate duplicates Z: 35 27.052 1.977 0.645 0.828 0.912 0.794 CB 1.178 35 residues pruned to eliminate duplicates Z: 24 18.361 1.915 0.845 0.681 0.870 0.391 CB 1.055 24 residues pruned to eliminate duplicates Z: 36 24.962 1.904 0.777 0.697 0.857 0.629 CB 1.216 36 residues pruned to eliminate duplicates Z: 24 24.729 1.989 0.935 0.740 0.913 0.826 CB 1.184 24 residues pruned to eliminate duplicates Z: 35 20.832 1.902 0.728 0.664 0.853 0.618 CB 1.095 35 residues pruned to eliminate duplicates Z: 34 23.436 1.865 0.904 0.609 0.879 0.515 CB 1.179 34 residues pruned to eliminate duplicates Z: 34 30.437 1.932 0.827 0.692 0.939 0.606 CB 1.340 39 residues pruned to eliminate duplicates Z: 17 13.676 1.783 0.590 0.688 0.812 0.375 CB 1.250 17 residues pruned to eliminate duplicates Z: 14 17.222 1.934 0.545 0.845 0.923 0.692 CB 1.287 16 residues pruned to eliminate duplicates Z: 16 21.193 1.912 0.437 0.920 1.000 0.933 CB 1.402 14 residues pruned to eliminate duplicates Z: 16 24.063 1.935 0.683 0.907 1.000 0.733 CB 1.356 16 residues pruned to eliminate duplicates Z: 15 20.152 1.880 0.485 0.911 1.000 0.857 CB 1.368 15 residues pruned to eliminate duplicates Z: 37 29.879 1.955 0.843 0.759 0.944 0.583 CB 1.162 37 residues pruned to eliminate duplicates Z: 39 30.745 1.946 0.694 0.729 0.921 0.658 CB 1.336 39 residues pruned to eliminate duplicates Z: 20 16.323 1.881 0.500 0.571 0.895 0.421 CB 1.385 20 residues pruned to eliminate duplicates Z: 42 23.704 1.914 0.733 0.691 0.854 0.390 CB 1.097 42 residues pruned to eliminate duplicates Z: 39 28.257 1.916 0.605 0.716 0.947 0.526 CB 1.294 39 residues pruned to eliminate duplicates Z: 20 12.832 1.780 0.557 0.563 0.842 0.421 CB 1.187 20 residues pruned to eliminate duplicates Z: 22 16.207 1.847 0.727 0.552 0.905 0.238 CB 1.165 22 residues pruned to eliminate duplicates Z: 31 17.095 1.823 0.705 0.576 0.833 0.500 CB 1.119 31 residues pruned to eliminate duplicates Z: 22 13.556 1.735 0.515 0.577 0.857 0.476 CB 1.219 18 residues pruned to eliminate duplicates Z: 19 17.650 1.815 0.533 0.733 0.944 0.556 CB 1.284 19 residues pruned to eliminate duplicates Z: 12 9.428 1.873 0.576 0.526 0.818 0.545 CB 1.148 12 residues pruned to eliminate duplicates Z: 51 22.882 1.826 0.760 0.594 0.780 0.460 CB 1.180 51 residues pruned to eliminate duplicates Z: 16 7.940 1.686 0.565 0.496 0.800 0.400 CB 0.975 16 residues pruned to eliminate duplicates Z: 12 10.597 1.868 0.465 0.624 0.909 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 13 7.086 1.804 0.280 0.523 0.667 0.333 CB 1.300 13 residues pruned to eliminate duplicates Z: 11 13.591 1.883 0.440 0.747 0.900 0.700 CB 1.412 11 residues pruned to eliminate duplicates Z: 14 12.077 1.899 0.443 0.614 0.846 0.462 CB 1.297 14 residues pruned to eliminate duplicates Z: 25 12.189 1.741 0.375 0.459 0.833 0.500 CB 1.301 25 residues pruned to eliminate duplicates Z: 58 28.344 1.869 0.701 0.657 0.842 0.544 CB 1.212 58 residues pruned to eliminate duplicates Z: 21 16.393 1.837 0.705 0.692 0.900 0.650 CB 1.091 21 residues pruned to eliminate duplicates Z: 15 23.475 1.819 0.883 0.839 0.929 0.786 CB 1.472 15 residues pruned to eliminate duplicates Z: 15 20.772 1.865 0.901 0.843 1.000 0.786 CB 1.166 15 residues pruned to eliminate duplicates Z: 12 15.411 1.761 1.096 0.708 0.818 0.455 CB 1.274 12 residues pruned to eliminate duplicates Z: 15 21.928 1.882 0.904 0.886 1.000 0.786 CB 1.180 15 residues pruned to eliminate duplicates Z: 10 11.079 1.729 0.551 0.760 1.000 0.444 CB 1.093 10 residues pruned to eliminate duplicates Z: 22 14.746 1.725 0.749 0.657 0.857 0.619 CB 1.075 21 residues pruned to eliminate duplicates Z: 13 14.438 1.743 0.945 0.793 0.750 0.333 N 1.268 13 residues pruned to eliminate duplicates Z: 13 15.995 1.592 1.069 0.832 0.917 0.750 CB 1.148 13 residues pruned to eliminate duplicates Z: 15 14.393 1.727 0.916 0.854 1.000 0.786 CB 0.859 14 residues pruned to eliminate duplicates Z: 15 19.535 1.768 0.555 0.901 1.000 0.786 CB 1.355 15 residues pruned to eliminate duplicates Z: 15 18.246 1.749 0.600 0.894 1.000 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 27 16.078 1.720 0.633 0.656 0.923 0.346 CB 1.052 26 residues pruned to eliminate duplicates Z: 10 9.406 1.733 0.585 0.824 0.889 0.444 CB 0.970 10 residues pruned to eliminate duplicates Z: 12 14.475 1.733 0.683 0.798 0.909 0.636 CB 1.268 12 residues pruned to eliminate duplicates Z: 15 18.649 1.805 0.642 0.822 1.000 0.429 CB 1.271 15 residues pruned to eliminate duplicates Z: 32 21.340 1.768 0.719 0.715 0.871 0.516 CB 1.192 32 residues pruned to eliminate duplicates Z: 15 19.387 1.798 0.707 0.870 1.000 0.714 CB 1.232 15 residues pruned to eliminate duplicates Z: 15 18.222 1.795 0.670 0.852 1.000 0.786 CB 1.201 15 residues pruned to eliminate duplicates Z: 17 14.304 1.723 0.757 0.786 0.812 0.625 CB 1.131 17 residues pruned to eliminate duplicates Z: 13 13.580 1.803 0.705 0.871 0.833 0.667 CB 1.116 13 residues pruned to eliminate duplicates Z: 21 10.257 1.691 0.582 0.681 0.700 0.350 CB 1.037 21 residues pruned to eliminate duplicates Z: 16 18.630 1.724 0.761 0.824 1.000 0.733 CB 1.197 16 residues pruned to eliminate duplicates Z: 20 14.314 1.709 0.710 0.715 0.895 0.474 CB 1.034 20 residues pruned to eliminate duplicates Z: 22 13.515 1.711 0.618 0.643 0.857 0.524 CB 1.087 22 residues pruned to eliminate duplicates Z: 21 15.216 1.701 0.621 0.697 0.950 0.650 CB 1.084 15 residues pruned to eliminate duplicates Z: 16 12.807 1.809 0.259 0.838 1.000 0.867 CB 1.086 Z: 11 13.134 1.921 0.270 0.921 1.000 0.900 CB 1.197 11 residues pruned to eliminate duplicates Z: 14 13.633 1.767 0.669 0.735 0.923 0.692 CB 1.124 16 residues pruned to eliminate duplicates Z: 11 14.527 1.883 0.548 0.932 1.000 1.000 CB 1.101 11 residues pruned to eliminate duplicates Z: 15 13.846 1.803 0.693 0.709 0.857 0.786 CB 1.169 12 residues pruned to eliminate duplicates Z: 13 14.130 1.799 0.749 0.846 0.833 0.750 CB 1.156 13 residues pruned to eliminate duplicates Z: 15 12.249 1.848 0.443 0.749 0.857 0.714 CB 1.147 15 residues pruned to eliminate duplicates Z: 12 17.228 1.846 0.851 0.882 0.909 0.909 CB 1.209 12 residues pruned to eliminate duplicates Z: 16 16.236 1.825 0.504 0.819 0.933 0.800 CB 1.240 18 residues pruned to eliminate duplicates Z: 12 15.190 1.828 0.590 0.884 0.909 0.727 CB 1.252 12 residues pruned to eliminate duplicates Z: 17 9.380 1.706 0.628 0.713 0.812 0.500 CB 0.857 17 residues pruned to eliminate duplicates 801 residues left after pruning, divided into chains as follows: A: 6 B: 38 C: 64 D: 37 E: 40 F: 41 G: 62 H: 40 I: 47 J: 150 K: 40 L: 61 M: 15 N: 60 O: 86 P: 14 CC for partial structure against native data = 41.21 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.649, Connect. = 0.721 for dens.mod. cycle 1 = 0.300, Contrast = 0.735, Connect. = 0.748 for dens.mod. cycle 2 = 0.300, Contrast = 0.866, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.879, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.888, Connect. = 0.772 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 = 0.886, Connect. = 0.773 for dens.mod. cycle 8 = 0.300, Contrast = 0.885, Connect. = 0.773 for dens.mod. cycle 9 = 0.300, Contrast = 0.882, Connect. = 0.774 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2903 peaks > 0.5 sigma used to seed fragment search Space for about 1576 unique residues taking solvent into account 664 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 19.786 1.891 0.407 0.917 1.000 0.895 CB 1.203 B: 18 19.498 1.990 1.030 0.932 1.000 0.765 CB 0.817 C: 20 19.535 1.983 0.821 0.903 0.947 0.842 CB 0.934 18 residues pruned to eliminate duplicates D: 19 20.455 1.972 0.593 0.933 0.944 0.889 CB 1.133 E: 17 26.262 1.964 1.061 0.916 1.000 0.312 CB 1.146 F: 13 19.441 1.878 0.675 0.929 1.000 1.000 CB 1.248 G: 21 21.076 1.937 0.447 0.917 1.000 0.900 CB 1.187 20 residues pruned to eliminate duplicates H: 19 27.303 2.022 0.862 0.917 0.944 0.722 CB 1.278 I: 24 24.234 1.971 0.512 0.902 1.000 0.783 CB 1.210 J: 21 25.558 1.895 0.962 0.892 0.950 0.750 CB 1.163 K: 20 23.559 2.036 1.021 0.889 0.895 0.474 CB 1.058 L: 18 28.999 2.015 1.121 0.909 0.941 0.588 CB 1.240 18 residues pruned to eliminate duplicates M: 13 20.699 1.902 0.644 0.884 1.000 0.583 CB 1.380 N: 21 28.707 1.988 0.937 0.914 1.000 0.850 CB 1.180 20 residues pruned to eliminate duplicates O: 22 19.658 1.882 0.719 0.707 0.810 0.667 CB 1.357 P: 22 24.510 1.875 0.980 0.860 0.952 0.857 CB 1.112 19 residues pruned to eliminate duplicates Q: 18 26.809 2.016 0.939 0.937 1.000 0.765 CB 1.158 18 residues pruned to eliminate duplicates R: 15 18.124 1.911 0.362 0.914 1.000 0.929 CB 1.316 S: 15 14.569 1.813 0.510 0.871 1.000 0.857 CB 1.037 14 residues pruned to eliminate duplicates T: 15 26.501 1.977 0.671 0.940 1.000 0.857 CB 1.489 U: 23 20.201 1.901 0.381 0.913 0.909 0.682 CB 1.277 V: 20 17.756 1.880 0.471 0.886 0.947 0.684 CB 1.122 20 residues pruned to eliminate duplicates W: 22 23.726 1.836 0.617 0.931 1.000 0.857 CB 1.218 19 residues pruned to eliminate duplicates X: 21 25.337 1.944 0.962 0.892 0.900 0.850 CB 1.185 21 residues pruned to eliminate duplicates Y: 13 18.029 1.930 0.405 0.850 0.917 0.750 CB 1.551 Z: 16 20.264 1.886 0.564 0.911 1.000 0.867 CB 1.257 Z: 8 4.817 2.009 0.367 0.298 0.857 0.429 CB 0.970 Z: 23 25.735 1.857 0.765 0.918 0.955 0.818 CB 1.236 Z: 21 29.125 2.025 0.887 0.916 0.950 0.850 CB 1.267 21 residues pruned to eliminate duplicates Z: 19 18.415 1.924 0.628 0.904 0.889 0.722 CB 1.110 19 residues pruned to eliminate duplicates Z: 7 9.582 1.979 0.241 0.883 1.000 1.000 CB 1.151 7 residues pruned to eliminate duplicates Z: 20 17.679 1.915 0.325 0.894 1.000 0.895 CB 1.147 20 residues pruned to eliminate duplicates Z: 16 19.793 1.935 0.320 0.908 1.000 0.933 CB 1.421 16 residues pruned to eliminate duplicates Z: 15 13.625 1.797 0.428 0.932 1.000 1.000 CB 0.991 15 residues pruned to eliminate duplicates Z: 19 22.831 2.003 0.541 0.910 1.000 0.833 CB 1.236 Z: 19 20.973 1.953 0.456 0.875 1.000 0.833 CB 1.265 Z: 9 11.780 1.790 0.574 0.727 0.875 0.750 O 1.376 Z: 20 26.499 2.016 0.798 0.889 0.947 0.632 CB 1.274 20 residues pruned to eliminate duplicates Z: 17 29.908 2.028 0.580 0.888 1.000 0.938 O 1.681 Z: 14 19.852 1.955 0.597 0.851 1.000 0.692 CB 1.305 12 residues pruned to eliminate duplicates Z: 21 21.993 1.887 0.667 0.850 0.950 0.850 CB 1.219 20 residues pruned to eliminate duplicates Z: 13 15.916 2.056 0.828 0.900 1.000 0.667 CB 0.873 13 residues pruned to eliminate duplicates Z: 14 20.133 1.925 0.605 0.844 0.923 0.769 CB 1.456 14 residues pruned to eliminate duplicates Z: 16 15.486 1.686 0.791 0.816 0.867 0.800 CB 1.160 Z: 20 24.703 1.844 0.912 0.921 0.947 0.895 CB 1.195 19 residues pruned to eliminate duplicates Z: 16 15.903 1.799 0.552 0.783 0.867 0.600 CB 1.322 14 residues pruned to eliminate duplicates Z: 16 20.946 1.873 0.764 0.756 0.933 0.667 CB 1.397 13 residues pruned to eliminate duplicates Z: 18 27.079 2.047 0.621 0.895 1.000 0.882 CB 1.418 19 residues pruned to eliminate duplicates Z: 19 21.052 1.967 0.875 0.890 1.000 0.667 CB 0.968 19 residues pruned to eliminate duplicates Z: 14 19.692 1.883 0.627 0.893 1.000 0.846 CB 1.280 Z: 25 27.863 1.907 0.673 0.890 1.000 0.917 CB 1.283 24 residues pruned to eliminate duplicates Z: 20 25.941 1.984 1.172 0.928 1.000 0.842 CB 0.967 20 residues pruned to eliminate duplicates Z: 12 13.934 1.993 0.435 0.847 1.000 0.727 CB 1.091 Z: 19 24.889 2.026 0.660 0.916 1.000 0.778 CB 1.232 19 residues pruned to eliminate duplicates Z: 18 26.035 1.994 0.694 0.886 1.000 0.941 CB 1.349 12 residues pruned to eliminate duplicates Z: 18 23.772 2.012 0.923 0.887 0.882 0.882 CB 1.217 18 residues pruned to eliminate duplicates Z: 27 23.526 1.932 0.989 0.740 0.846 0.654 CB 1.145 33 residues pruned to eliminate duplicates Z: 16 23.858 1.902 0.460 0.899 1.000 0.933 CB 1.586 15 residues pruned to eliminate duplicates Z: 14 24.836 1.939 0.847 0.905 0.923 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 17 28.629 1.994 0.586 0.885 0.938 0.938 CB 1.744 17 residues pruned to eliminate duplicates Z: 15 34.550 2.112 0.836 0.924 1.000 0.929 CB 1.672 16 residues pruned to eliminate duplicates Z: 21 31.557 1.952 0.860 0.943 1.000 0.800 CB 1.347 24 residues pruned to eliminate duplicates Z: 7 6.871 1.661 0.584 0.547 0.833 0.833 CB 1.223 Z: 19 25.285 2.027 0.811 0.932 0.889 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 19 23.283 2.027 0.501 0.924 1.000 0.722 CB 1.267 19 residues pruned to eliminate duplicates Z: 19 28.344 1.912 0.949 0.919 1.000 0.944 CB 1.263 17 residues pruned to eliminate duplicates Z: 17 20.316 1.820 0.493 0.892 1.000 0.938 CB 1.342 17 residues pruned to eliminate duplicates Z: 16 14.284 1.842 0.441 0.920 1.000 0.933 CB 0.978 Z: 13 17.238 1.874 0.582 0.752 0.917 0.583 N 1.463 Z: 21 19.946 1.843 0.546 0.904 0.950 0.750 CB 1.174 21 residues pruned to eliminate duplicates Z: 25 23.521 1.801 0.512 0.903 1.000 0.833 CB 1.257 23 residues pruned to eliminate duplicates Z: 21 26.398 1.907 0.594 0.885 1.000 0.700 CB 1.402 13 residues pruned to eliminate duplicates Z: 19 26.375 2.011 0.812 0.925 1.000 0.778 CB 1.197 19 residues pruned to eliminate duplicates Z: 13 17.636 1.960 0.671 0.846 1.000 0.833 CB 1.155 13 residues pruned to eliminate duplicates Z: 20 24.127 1.928 0.428 0.824 0.947 0.684 N 1.603 20 residues pruned to eliminate duplicates Z: 6 7.201 1.879 0.272 0.458 1.000 0.400 CB 1.406 Z: 21 28.037 1.994 0.713 0.924 1.000 0.800 CB 1.288 21 residues pruned to eliminate duplicates Z: 19 17.000 1.792 0.711 0.826 1.000 0.778 CB 0.985 Z: 18 21.352 1.904 0.500 0.910 1.000 0.882 CB 1.286 18 residues pruned to eliminate duplicates Z: 23 24.786 1.785 0.898 0.872 0.864 0.545 CB 1.316 23 residues pruned to eliminate duplicates Z: 16 15.398 1.853 0.125 0.915 1.000 0.933 CB 1.348 16 residues pruned to eliminate duplicates Z: 21 29.399 2.058 0.682 0.925 1.000 0.850 CB 1.333 21 residues pruned to eliminate duplicates Z: 7 8.767 1.691 0.739 0.775 0.667 0.667 N 1.432 7 residues pruned to eliminate duplicates Z: 12 13.484 1.987 0.303 0.847 1.000 0.909 CB 1.166 12 residues pruned to eliminate duplicates Z: 17 20.678 2.056 0.461 0.925 1.000 0.812 CB 1.207 17 residues pruned to eliminate duplicates Z: 14 21.458 1.873 0.661 0.899 1.000 0.846 CB 1.367 15 residues pruned to eliminate duplicates Z: 15 15.304 1.840 0.480 0.809 0.857 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 20 27.407 1.985 0.860 0.912 0.947 0.789 CB 1.273 20 residues pruned to eliminate duplicates Z: 21 21.028 1.876 0.556 0.895 1.000 0.850 CB 1.154 20 residues pruned to eliminate duplicates Z: 18 15.089 1.808 0.651 0.924 1.000 0.824 CB 0.861 Z: 23 23.641 1.843 0.841 0.914 0.909 0.364 CB 1.156 24 residues pruned to eliminate duplicates Z: 19 22.070 1.830 0.579 0.886 0.944 0.833 CB 1.375 19 residues pruned to eliminate duplicates Z: 16 22.092 1.800 0.714 0.893 1.000 0.733 CB 1.328 16 residues pruned to eliminate duplicates Z: 18 30.151 1.879 0.854 0.893 1.000 0.647 CB 1.506 16 residues pruned to eliminate duplicates Z: 19 21.465 1.884 0.609 0.902 0.944 0.833 CB 1.261 19 residues pruned to eliminate duplicates Z: 13 14.435 1.889 0.583 0.817 0.833 0.750 CB 1.270 13 residues pruned to eliminate duplicates Z: 11 12.594 1.831 0.503 0.894 1.000 0.800 CB 1.037 Z: 15 16.156 1.941 0.145 0.858 1.000 0.786 CB 1.431 15 residues pruned to eliminate duplicates Z: 22 26.965 1.943 0.861 0.855 0.952 0.714 CB 1.260 22 residues pruned to eliminate duplicates Z: 20 23.732 1.951 1.042 0.899 0.947 0.684 CB 1.031 19 residues pruned to eliminate duplicates Z: 11 16.720 1.828 0.622 0.920 1.000 1.000 CB 1.256 Z: 16 18.527 1.879 0.536 0.863 1.000 0.867 CB 1.216 16 residues pruned to eliminate duplicates Z: 21 24.619 1.922 0.689 0.889 0.950 0.750 CB 1.285 21 residues pruned to eliminate duplicates Z: 21 28.465 1.865 0.950 0.929 1.000 0.800 CB 1.225 20 residues pruned to eliminate duplicates Z: 16 23.563 1.919 0.570 0.916 1.000 0.533 CB 1.427 14 residues pruned to eliminate duplicates Z: 22 26.848 2.006 0.829 0.843 0.952 0.619 CB 1.249 21 residues pruned to eliminate duplicates Z: 15 14.305 1.730 0.544 0.874 0.786 0.571 CB 1.326 15 residues pruned to eliminate duplicates Z: 19 23.791 2.006 0.516 0.902 1.000 0.889 CB 1.314 19 residues pruned to eliminate duplicates Z: 21 13.693 1.727 0.283 0.840 0.900 0.700 CB 1.146 Z: 13 15.953 1.894 0.459 0.843 0.917 0.833 CB 1.354 13 residues pruned to eliminate duplicates Z: 15 22.224 1.866 0.537 0.870 1.000 0.786 CB 1.512 15 residues pruned to eliminate duplicates Z: 13 17.849 1.872 0.613 0.931 1.000 1.000 CB 1.193 13 residues pruned to eliminate duplicates Z: 20 23.967 1.891 0.624 0.934 1.000 0.895 CB 1.248 20 residues pruned to eliminate duplicates Z: 18 22.878 2.032 0.439 0.935 1.000 0.941 CB 1.323 18 residues pruned to eliminate duplicates Z: 17 17.045 1.744 0.878 0.891 1.000 0.875 CB 0.935 16 residues pruned to eliminate duplicates Z: 19 24.623 2.087 0.564 0.719 0.944 0.778 CB 1.545 19 residues pruned to eliminate duplicates Z: 22 13.118 1.806 0.837 0.671 0.810 0.571 CB 0.910 22 residues pruned to eliminate duplicates Z: 22 23.473 1.968 0.478 0.864 0.952 0.762 CB 1.355 22 residues pruned to eliminate duplicates Z: 16 28.350 2.091 0.650 0.896 1.000 0.800 CB 1.520 16 residues pruned to eliminate duplicates Z: 17 13.775 1.761 0.716 0.887 0.938 0.750 CB 0.876 18 residues pruned to eliminate duplicates Z: 9 5.021 1.752 0.571 0.873 1.000 0.875 CB 0.470 Z: 20 22.791 1.925 0.830 0.928 0.947 0.632 CB 1.097 20 residues pruned to eliminate duplicates Z: 19 18.784 1.755 0.578 0.785 0.944 0.667 CB 1.318 Z: 8 6.329 1.910 0.438 0.744 1.000 1.000 CB 0.700 9 residues pruned to eliminate duplicates Z: 14 16.426 1.897 0.244 0.901 0.923 0.923 CB 1.492 14 residues pruned to eliminate duplicates Z: 18 21.628 1.805 0.706 0.840 0.941 0.765 CB 1.351 Z: 19 19.294 1.937 0.482 0.896 0.944 0.833 CB 1.202 19 residues pruned to eliminate duplicates Z: 15 12.370 1.893 0.732 0.837 0.929 0.786 CB 0.812 15 residues pruned to eliminate duplicates Z: 18 26.583 1.911 0.686 0.908 1.000 0.882 CB 1.421 Z: 18 29.058 2.092 0.710 0.886 0.941 0.706 CB 1.510 19 residues pruned to eliminate duplicates Z: 19 26.062 2.050 0.396 0.924 1.000 0.889 CB 1.507 20 residues pruned to eliminate duplicates Z: 19 14.148 1.832 0.309 0.861 0.944 0.778 CB 1.082 21 residues pruned to eliminate duplicates Z: 13 18.287 2.003 0.172 0.925 1.000 1.000 CB 1.578 13 residues pruned to eliminate duplicates Z: 15 13.959 1.924 0.359 0.922 1.000 0.857 CB 1.003 15 residues pruned to eliminate duplicates Z: 9 5.522 1.598 0.259 0.534 0.875 0.375 CB 1.072 9 residues pruned to eliminate duplicates Z: 12 13.741 1.681 0.602 0.887 0.818 0.545 CB 1.356 6 residues pruned to eliminate duplicates Z: 22 25.347 1.851 1.045 0.883 0.952 0.714 CB 1.109 20 residues pruned to eliminate duplicates Z: 23 27.104 1.954 0.680 0.891 1.000 0.864 CB 1.265 23 residues pruned to eliminate duplicates Z: 19 18.259 1.769 0.793 0.930 1.000 0.889 CB 0.948 Z: 15 21.109 1.859 0.787 0.893 0.929 0.857 N 1.313 18 residues pruned to eliminate duplicates Z: 19 26.169 2.032 0.707 0.923 0.944 0.778 CB 1.323 19 residues pruned to eliminate duplicates Z: 21 19.258 1.860 0.500 0.886 0.950 0.750 CB 1.173 21 residues pruned to eliminate duplicates Z: 14 18.118 1.795 0.483 0.850 1.000 0.692 CB 1.398 9 residues pruned to eliminate duplicates Z: 18 13.772 1.854 0.484 0.895 0.824 0.824 CB 1.057 18 residues pruned to eliminate duplicates Z: 9 7.580 1.825 0.511 0.878 1.000 1.000 CB 0.706 9 residues pruned to eliminate duplicates Z: 13 16.714 1.990 0.648 0.875 1.000 0.917 CB 1.070 13 residues pruned to eliminate duplicates Z: 20 18.926 1.827 0.758 0.884 0.947 0.579 CB 1.031 20 residues pruned to eliminate duplicates Z: 17 22.745 1.863 0.632 0.944 1.000 0.938 CB 1.296 16 residues pruned to eliminate duplicates Z: 12 14.470 1.919 0.717 0.730 0.727 0.545 CB 1.479 12 residues pruned to eliminate duplicates Z: 11 10.672 1.611 0.427 0.779 0.800 0.700 CB 1.435 11 residues pruned to eliminate duplicates Z: 14 5.970 1.687 0.439 0.486 0.615 0.462 O 1.124 9 residues pruned to eliminate duplicates Z: 16 29.077 2.068 0.780 0.858 0.933 0.600 CB 1.609 16 residues pruned to eliminate duplicates Z: 22 21.516 1.817 0.589 0.902 0.952 0.857 CB 1.218 17 residues pruned to eliminate duplicates Z: 19 21.071 1.962 1.018 0.932 0.944 0.944 CB 0.928 19 residues pruned to eliminate duplicates Z: 18 24.596 1.878 0.968 0.884 0.941 0.588 CB 1.238 18 residues pruned to eliminate duplicates Z: 19 32.002 2.049 0.711 0.891 1.000 0.889 CB 1.547 19 residues pruned to eliminate duplicates Z: 14 15.925 1.972 0.550 0.788 0.923 0.769 CB 1.215 14 residues pruned to eliminate duplicates Z: 6 3.571 1.715 0.363 0.293 0.600 0.400 CB 1.436 Z: 6 7.136 1.964 0.810 0.865 1.000 0.800 CB 0.658 Z: 18 17.418 1.906 0.672 0.878 0.824 0.765 CB 1.168 18 residues pruned to eliminate duplicates Z: 11 3.589 1.695 0.399 0.329 0.600 0.400 CB 0.963 Z: 18 24.155 2.021 0.651 0.875 1.000 0.765 CB 1.277 18 residues pruned to eliminate duplicates Z: 9 17.759 2.014 0.500 0.899 1.000 0.875 CB 1.486 9 residues pruned to eliminate duplicates Z: 17 13.597 1.637 0.629 0.918 1.000 0.875 CB 0.899 Z: 15 20.574 1.790 0.633 0.904 1.000 0.929 CB 1.340 14 residues pruned to eliminate duplicates Z: 22 22.046 1.898 0.486 0.922 1.000 0.857 CB 1.199 23 residues pruned to eliminate duplicates Z: 46 21.794 1.902 0.682 0.666 0.867 0.733 CB 1.004 46 residues pruned to eliminate duplicates Z: 18 28.408 2.011 0.700 0.913 0.941 0.529 CB 1.516 18 residues pruned to eliminate duplicates Z: 17 17.122 2.005 0.476 0.886 1.000 0.812 CB 1.043 17 residues pruned to eliminate duplicates Z: 26 18.579 1.832 0.525 0.845 0.880 0.680 CB 1.124 26 residues pruned to eliminate duplicates Z: 16 11.223 1.631 0.987 0.834 0.867 0.733 CB 0.773 13 residues pruned to eliminate duplicates Z: 9 6.978 1.805 0.581 0.906 1.000 0.875 CB 0.615 Z: 12 13.937 1.849 0.416 0.879 1.000 0.545 CB 1.164 Z: 22 28.905 1.927 0.804 0.873 1.000 0.762 CB 1.322 22 residues pruned to eliminate duplicates Z: 19 24.743 1.804 0.639 0.899 1.000 0.944 CB 1.411 18 residues pruned to eliminate duplicates Z: 24 24.414 1.938 0.790 0.903 0.957 0.739 CB 1.093 24 residues pruned to eliminate duplicates Z: 17 14.329 1.813 0.235 0.879 1.000 0.938 CB 1.161 17 residues pruned to eliminate duplicates Z: 15 19.432 1.840 0.963 0.910 1.000 0.929 CB 1.020 Z: 17 20.859 1.821 0.665 0.869 0.938 0.812 CB 1.341 17 residues pruned to eliminate duplicates Z: 18 23.229 1.873 0.718 0.908 1.000 0.706 CB 1.243 18 residues pruned to eliminate duplicates Z: 19 23.363 1.750 0.805 0.868 0.889 0.667 CB 1.434 18 residues pruned to eliminate duplicates Z: 23 13.613 1.832 0.649 0.568 0.727 0.545 CB 1.237 23 residues pruned to eliminate duplicates Z: 21 26.962 2.006 0.776 0.880 0.950 0.850 CB 1.291 21 residues pruned to eliminate duplicates Z: 20 14.431 1.797 0.228 0.863 0.947 0.789 CB 1.162 20 residues pruned to eliminate duplicates Z: 19 25.394 1.991 0.766 0.880 0.944 0.500 CB 1.306 19 residues pruned to eliminate duplicates Z: 24 21.143 1.889 0.491 0.861 1.000 0.870 CB 1.150 24 residues pruned to eliminate duplicates Z: 15 10.565 1.688 0.581 0.742 0.857 0.500 CB 0.994 14 residues pruned to eliminate duplicates Z: 8 6.548 1.592 0.303 0.754 0.857 0.571 CB 1.110 Z: 21 27.971 2.001 0.824 0.859 0.950 0.700 CB 1.328 21 residues pruned to eliminate duplicates Z: 17 14.118 1.892 0.520 0.822 0.875 0.750 CB 1.062 17 residues pruned to eliminate duplicates Z: 12 13.582 1.959 0.757 0.900 1.000 0.727 CB 0.850 12 residues pruned to eliminate duplicates Z: 6 4.401 1.696 0.570 0.532 0.800 0.600 CB 0.896 6 residues pruned to eliminate duplicates Z: 9 4.531 1.742 0.576 0.529 1.000 0.625 CB 0.567 8 residues pruned to eliminate duplicates Z: 19 20.096 1.865 0.736 0.927 1.000 0.833 CB 1.026 Z: 20 24.138 1.931 0.778 0.916 1.000 0.737 CB 1.139 20 residues pruned to eliminate duplicates Z: 22 17.185 1.968 0.722 0.673 0.905 0.571 CB 1.043 18 residues pruned to eliminate duplicates Z: 22 25.802 1.978 0.593 0.923 1.000 0.762 CB 1.255 22 residues pruned to eliminate duplicates 6 1.801 1.589 -0.159 0.482 0.800 0.600 CB 0.767 ? Z: 16 20.147 1.924 0.587 0.878 1.000 0.867 CB 1.236 16 residues pruned to eliminate duplicates Z: 19 21.511 1.775 0.580 0.832 0.944 0.500 O 1.438 19 residues pruned to eliminate duplicates Z: 24 20.942 1.899 0.335 0.927 1.000 1.000 CB 1.207 24 residues pruned to eliminate duplicates Z: 14 21.472 1.901 0.589 0.869 1.000 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 18 24.392 1.838 0.811 0.905 1.000 0.706 CB 1.266 18 residues pruned to eliminate duplicates Z: 20 24.040 1.793 0.866 0.909 0.947 0.474 CB 1.234 20 residues pruned to eliminate duplicates Z: 18 21.228 1.811 0.500 0.919 1.000 1.000 CB 1.335 19 residues pruned to eliminate duplicates Z: 16 13.774 1.824 0.326 0.850 0.933 0.733 CB 1.167 16 residues pruned to eliminate duplicates Z: 18 16.776 1.950 0.737 0.916 1.000 0.824 CB 0.848 18 residues pruned to eliminate duplicates Z: 11 11.003 1.821 0.381 0.897 0.900 0.700 CB 1.101 11 residues pruned to eliminate duplicates Z: 17 21.437 1.806 0.622 0.897 1.000 0.812 CB 1.310 19 residues pruned to eliminate duplicates Z: 19 18.218 1.690 0.678 0.874 0.944 0.722 O 1.167 19 residues pruned to eliminate duplicates Z: 18 19.673 1.983 0.953 0.924 1.000 0.882 CB 0.866 18 residues pruned to eliminate duplicates Z: 9 10.306 1.663 0.647 0.823 0.750 0.625 N 1.340 7 residues pruned to eliminate duplicates Z: 15 25.354 2.040 0.438 0.878 1.000 0.786 CB 1.676 15 residues pruned to eliminate duplicates Z: 14 11.486 1.863 0.334 0.912 1.000 0.923 CB 0.908 14 residues pruned to eliminate duplicates Z: 18 10.635 1.685 0.739 0.845 0.941 0.529 CB 0.695 20 residues pruned to eliminate duplicates Z: 19 18.725 1.910 0.645 0.860 0.944 0.667 CB 1.093 19 residues pruned to eliminate duplicates Z: 12 14.403 1.862 0.541 0.866 1.000 0.909 CB 1.108 11 residues pruned to eliminate duplicates Z: 34 22.437 1.815 0.634 0.619 0.939 0.515 CB 1.253 36 residues pruned to eliminate duplicates Z: 15 15.507 1.760 0.508 0.854 1.000 0.929 CB 1.153 15 residues pruned to eliminate duplicates Z: 20 20.631 1.798 0.967 0.814 0.895 0.684 CB 1.138 15 residues pruned to eliminate duplicates Z: 13 7.321 1.704 0.596 0.390 0.917 0.583 CB 0.952 Z: 16 16.164 1.821 0.356 0.901 1.000 0.867 CB 1.206 17 residues pruned to eliminate duplicates Z: 16 16.218 1.941 0.464 0.835 1.000 0.667 CB 1.104 16 residues pruned to eliminate duplicates Z: 17 18.482 1.830 0.713 0.894 1.000 0.812 CB 1.058 16 residues pruned to eliminate duplicates Z: 11 7.941 1.676 0.533 0.867 0.800 0.500 CB 0.893 Z: 6 3.466 1.587 0.295 0.602 1.000 0.400 CB 0.685 Z: 6 5.283 2.055 0.744 0.862 1.000 1.000 CB 0.484 Z: 19 18.863 1.814 0.637 0.870 0.889 0.722 CB 1.230 19 residues pruned to eliminate duplicates Z: 19 16.925 1.867 0.456 0.887 0.944 0.833 CB 1.120 19 residues pruned to eliminate duplicates Z: 16 18.989 1.987 0.596 0.820 0.867 0.733 CB 1.352 17 residues pruned to eliminate duplicates Z: 26 14.674 1.835 0.452 0.531 0.800 0.520 CB 1.336 30 residues pruned to eliminate duplicates Z: 21 25.075 1.950 0.741 0.937 0.950 0.900 CB 1.210 21 residues pruned to eliminate duplicates Z: 31 10.338 1.722 0.334 0.425 0.733 0.467 CB 1.211 26 residues pruned to eliminate duplicates Z: 10 10.307 1.655 0.448 0.879 0.889 0.778 CB 1.169 10 residues pruned to eliminate duplicates Z: 17 21.012 1.894 0.514 0.905 1.000 0.875 CB 1.304 17 residues pruned to eliminate duplicates Z: 22 14.987 1.771 0.568 0.932 1.000 0.952 CB 0.823 21 residues pruned to eliminate duplicates Z: 17 16.008 1.763 0.608 0.860 1.000 0.625 CB 1.038 11 residues pruned to eliminate duplicates Z: 6 4.065 1.708 0.600 0.821 0.800 0.400 CB 0.630 Z: 8 6.761 1.528 0.705 0.725 0.857 0.714 CB 0.934 8 residues pruned to eliminate duplicates Z: 15 18.916 1.880 0.490 0.850 0.929 0.786 CB 1.440 15 residues pruned to eliminate duplicates Z: 7 11.738 1.735 1.006 0.491 1.000 1.000 CB 1.390 Z: 15 10.339 1.565 0.468 0.817 0.929 0.714 O 0.983 15 residues pruned to eliminate duplicates Z: 15 12.366 1.827 0.766 0.871 0.929 0.786 CB 0.805 15 residues pruned to eliminate duplicates Z: 21 21.021 1.880 0.326 0.952 1.000 1.000 CB 1.299 21 residues pruned to eliminate duplicates Z: 13 9.504 1.674 0.838 0.838 0.833 0.750 CB 0.800 13 residues pruned to eliminate duplicates Z: 20 16.339 1.771 0.615 0.874 0.947 0.789 CB 1.007 20 residues pruned to eliminate duplicates Z: 15 20.600 1.963 0.889 0.868 0.929 0.786 CB 1.169 15 residues pruned to eliminate duplicates Z: 14 15.991 1.858 0.722 0.903 1.000 0.923 CB 0.988 14 residues pruned to eliminate duplicates Z: 26 18.742 1.779 0.829 0.677 0.920 0.600 CB 1.063 26 residues pruned to eliminate duplicates Z: 12 20.638 2.002 0.560 0.882 1.000 0.545 CB 1.442 13 residues pruned to eliminate duplicates Z: 11 8.693 1.609 0.504 0.855 0.700 0.700 CB 1.198 14 residues pruned to eliminate duplicates Z: 7 2.225 1.296 0.697 0.345 0.667 0.333 O 0.733 Z: 8 8.027 1.659 1.091 0.843 1.000 0.714 CB 0.651 6 residues pruned to eliminate duplicates Z: 17 22.373 1.918 0.884 0.912 0.938 0.500 CB 1.169 17 residues pruned to eliminate duplicates Z: 12 23.383 2.011 1.297 0.877 1.000 0.636 CB 1.109 12 residues pruned to eliminate duplicates Z: 9 4.517 1.442 0.364 0.454 0.750 0.500 CB 1.134 Z: 19 17.939 1.947 0.773 0.878 1.000 0.833 CB 0.888 19 residues pruned to eliminate duplicates Z: 15 15.487 1.855 0.117 0.866 1.000 0.929 CB 1.462 15 residues pruned to eliminate duplicates Z: 21 16.638 1.679 1.113 0.856 0.950 0.650 CB 0.814 21 residues pruned to eliminate duplicates Z: 17 16.978 1.774 0.419 0.814 0.938 0.750 CB 1.369 17 residues pruned to eliminate duplicates Z: 16 23.066 1.874 0.703 0.846 1.000 0.667 CB 1.386 16 residues pruned to eliminate duplicates Z: 8 4.912 1.362 0.728 0.740 0.571 0.429 O 1.113 8 residues pruned to eliminate duplicates Z: 17 23.133 1.720 0.659 0.864 1.000 0.688 CB 1.486 18 residues pruned to eliminate duplicates Z: 18 24.819 1.880 0.868 0.883 1.000 0.588 CB 1.240 18 residues pruned to eliminate duplicates Z: 19 10.739 1.800 0.468 0.921 0.944 0.944 CB 0.714 19 residues pruned to eliminate duplicates Z: 7 3.933 1.584 0.397 0.296 0.833 0.333 CB 1.094 Z: 17 4.939 1.609 0.184 0.461 0.812 0.312 CB 0.831 Z: 17 22.206 1.880 0.616 0.884 1.000 0.875 CB 1.320 17 residues pruned to eliminate duplicates Z: 15 16.897 1.624 0.661 0.872 1.000 0.786 CB 1.220 8 residues pruned to eliminate duplicates Z: 16 19.483 1.749 0.553 0.879 0.933 0.733 CB 1.439 16 residues pruned to eliminate duplicates Z: 8 5.597 2.006 0.142 0.862 1.000 0.857 CB 0.678 Z: 18 16.639 1.872 0.591 0.906 1.000 0.941 CB 0.964 16 residues pruned to eliminate duplicates Z: 19 27.781 1.939 1.083 0.930 1.000 0.556 CB 1.134 21 residues pruned to eliminate duplicates Z: 9 13.056 1.869 0.419 0.858 1.000 0.375 CB 1.282 9 residues pruned to eliminate duplicates 6 1.847 1.305 0.379 0.294 0.600 0.600 N 0.964 ? Z: 18 21.437 1.828 0.639 0.894 1.000 0.706 CB 1.245 18 residues pruned to eliminate duplicates Z: 20 23.621 1.777 0.700 0.902 1.000 0.947 CB 1.279 19 residues pruned to eliminate duplicates Z: 15 20.199 1.924 0.510 0.916 0.929 0.786 CB 1.414 15 residues pruned to eliminate duplicates Z: 17 25.194 1.808 0.927 0.916 1.000 0.625 N 1.276 17 residues pruned to eliminate duplicates Z: 12 19.543 2.002 0.513 0.919 1.000 0.818 CB 1.371 12 residues pruned to eliminate duplicates Z: 13 8.877 1.597 0.287 0.811 0.917 0.583 CB 1.037 13 residues pruned to eliminate duplicates Z: 19 27.191 2.001 0.592 0.907 1.000 0.833 CB 1.430 19 residues pruned to eliminate duplicates Z: 12 21.707 1.999 0.647 0.918 1.000 1.000 CB 1.401 12 residues pruned to eliminate duplicates Z: 15 20.440 1.871 0.610 0.807 1.000 0.857 CB 1.388 15 residues pruned to eliminate duplicates Z: 18 23.831 1.892 0.690 0.893 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 15 7.142 1.562 0.456 0.865 0.929 0.786 CB 0.662 15 residues pruned to eliminate duplicates Z: 25 23.476 1.806 0.517 0.918 1.000 0.833 CB 1.233 25 residues pruned to eliminate duplicates Z: 10 10.519 1.813 0.254 0.909 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates Z: 22 15.649 1.822 0.413 0.939 1.000 0.857 CB 0.921 22 residues pruned to eliminate duplicates Z: 21 29.606 1.981 0.866 0.924 1.000 0.650 CB 1.257 21 residues pruned to eliminate duplicates Z: 16 8.791 1.477 0.403 0.817 0.867 0.800 CB 0.960 Z: 6 3.691 1.837 1.298 0.800 1.000 0.800 CB 0.301 6 residues pruned to eliminate duplicates Z: 7 2.930 1.525 0.109 0.475 0.833 0.833 CB 0.871 7 residues pruned to eliminate duplicates Z: 19 22.529 2.027 0.454 0.845 0.944 0.778 CB 1.418 19 residues pruned to eliminate duplicates Z: 8 4.650 1.480 0.370 0.771 0.857 0.714 O 0.796 Z: 18 21.310 2.039 0.326 0.902 1.000 0.882 CB 1.363 18 residues pruned to eliminate duplicates Z: 13 13.822 1.759 0.722 0.891 1.000 0.833 CB 0.947 13 residues pruned to eliminate duplicates Z: 6 7.355 1.599 0.391 0.706 0.800 0.400 CA 1.533 8 residues pruned to eliminate duplicates Z: 6 3.763 1.711 0.909 0.441 0.400 0.400 CB 1.369 Z: 6 4.866 1.915 0.213 0.807 0.800 0.800 CB 0.896 6 residues pruned to eliminate duplicates Z: 21 22.133 1.849 0.833 0.922 1.000 0.750 CB 1.027 23 residues pruned to eliminate duplicates Z: 19 23.208 1.842 0.562 0.928 1.000 0.889 CB 1.332 19 residues pruned to eliminate duplicates Z: 18 25.812 2.017 0.546 0.911 0.941 0.824 CB 1.512 18 residues pruned to eliminate duplicates Z: 14 14.412 1.785 0.563 0.841 1.000 0.846 CB 1.068 14 residues pruned to eliminate duplicates Z: 24 19.014 1.958 0.642 0.683 0.870 0.652 CB 1.198 24 residues pruned to eliminate duplicates Z: 20 18.945 1.851 0.677 0.868 1.000 0.579 CB 1.024 19 residues pruned to eliminate duplicates Z: 17 13.531 1.815 0.264 0.892 0.938 0.625 CB 1.130 17 residues pruned to eliminate duplicates Z: 14 16.559 1.870 0.464 0.752 1.000 0.538 CB 1.339 10 residues pruned to eliminate duplicates Z: 10 4.799 1.793 0.180 0.877 1.000 0.778 CB 0.549 Z: 22 15.284 1.780 0.553 0.894 1.000 0.857 CB 0.866 22 residues pruned to eliminate duplicates Z: 15 24.969 1.876 1.002 0.908 0.929 0.571 CB 1.359 15 residues pruned to eliminate duplicates Z: 18 12.624 1.706 0.232 0.865 0.941 0.765 CB 1.134 18 residues pruned to eliminate duplicates Z: 18 27.651 1.891 0.931 0.913 0.941 0.529 CB 1.381 18 residues pruned to eliminate duplicates Z: 13 12.154 1.764 0.572 0.765 0.917 0.500 CB 1.091 13 residues pruned to eliminate duplicates Z: 18 18.881 1.882 0.558 0.931 0.941 0.882 CB 1.160 18 residues pruned to eliminate duplicates Z: 17 15.165 2.035 0.232 0.892 0.938 0.938 CB 1.159 17 residues pruned to eliminate duplicates Z: 12 7.530 1.902 0.215 0.550 0.818 0.636 CB 1.143 12 residues pruned to eliminate duplicates Z: 19 15.946 1.744 0.626 0.906 1.000 0.778 CB 0.943 19 residues pruned to eliminate duplicates Z: 19 16.687 1.845 0.414 0.848 0.944 0.722 CB 1.184 19 residues pruned to eliminate duplicates Z: 16 16.976 1.860 0.600 0.853 1.000 0.533 CB 1.089 16 residues pruned to eliminate duplicates Z: 6 2.636 1.488 0.238 0.237 0.800 0.200 N 1.085 Z: 18 15.110 1.896 0.386 0.764 0.824 0.529 CB 1.339 18 residues pruned to eliminate duplicates Z: 19 20.087 1.903 0.477 0.893 0.944 0.944 CB 1.280 19 residues pruned to eliminate duplicates Z: 18 20.479 1.887 0.787 0.902 1.000 0.941 CB 1.050 18 residues pruned to eliminate duplicates Z: 21 23.402 1.986 0.565 0.865 1.000 0.800 CB 1.233 21 residues pruned to eliminate duplicates Z: 13 13.028 1.952 0.610 0.868 0.833 0.583 CB 1.050 13 residues pruned to eliminate duplicates Z: 9 11.727 1.715 0.596 0.882 1.000 0.875 CB 1.096 9 residues pruned to eliminate duplicates Z: 19 17.489 1.796 0.516 0.888 0.944 0.889 CB 1.155 19 residues pruned to eliminate duplicates Z: 18 19.228 1.848 0.452 0.888 0.941 0.941 CB 1.331 16 residues pruned to eliminate duplicates Z: 20 22.686 1.943 0.429 0.903 0.895 0.789 CB 1.493 20 residues pruned to eliminate duplicates Z: 16 16.723 1.840 0.877 0.844 0.800 0.267 CB 1.163 16 residues pruned to eliminate duplicates Z: 18 17.418 1.729 0.546 0.737 0.941 0.529 CB 1.357 20 residues pruned to eliminate duplicates Z: 7 4.148 1.726 0.222 0.376 0.833 0.667 CB 1.100 Z: 14 8.890 1.643 0.781 0.436 0.769 0.308 CB 1.170 14 residues pruned to eliminate duplicates Z: 16 15.234 1.646 0.644 0.892 1.000 0.867 CB 1.044 15 residues pruned to eliminate duplicates Z: 21 13.698 1.753 0.374 0.801 0.850 0.600 CB 1.150 21 residues pruned to eliminate duplicates Z: 25 24.394 1.805 0.748 0.885 0.958 0.583 CB 1.189 24 residues pruned to eliminate duplicates Z: 18 13.086 1.712 0.448 0.754 0.941 0.765 CB 1.085 12 residues pruned to eliminate duplicates Z: 9 2.234 1.939 0.161 0.839 0.875 0.750 CB 0.299 Z: 18 7.458 1.603 0.446 0.468 0.824 0.529 CB 0.979 18 residues pruned to eliminate duplicates Z: 16 20.600 1.815 0.518 0.875 1.000 0.867 CB 1.404 16 residues pruned to eliminate duplicates Z: 7 5.702 1.764 0.152 0.534 1.000 0.667 CB 1.109 6 1.027 1.893 1.026 0.874 1.000 1.000 CB 0.087 ? Z: 23 22.389 1.887 0.514 0.889 1.000 0.818 CB 1.203 23 residues pruned to eliminate duplicates Z: 12 10.455 1.761 0.875 0.894 1.000 0.818 CB 0.685 Z: 19 21.669 1.954 0.918 0.904 0.944 0.833 CB 1.028 19 residues pruned to eliminate duplicates Z: 7 3.563 1.752 0.570 0.822 0.833 0.667 CB 0.480 8 residues pruned to eliminate duplicates Z: 6 3.510 1.923 0.737 0.878 1.000 1.000 CB 0.341 Z: 16 21.472 1.883 0.603 0.915 1.000 0.867 CB 1.299 16 residues pruned to eliminate duplicates Z: 12 5.398 1.688 0.553 0.345 0.818 0.364 CB 0.898 Z: 16 12.620 1.702 0.382 0.833 0.933 0.867 CB 1.113 16 residues pruned to eliminate duplicates Z: 22 20.424 1.907 0.812 0.922 0.810 0.429 CB 1.121 22 residues pruned to eliminate duplicates Z: 23 22.145 1.839 0.814 0.853 0.909 0.591 CB 1.150 23 residues pruned to eliminate duplicates Z: 11 5.401 1.669 0.484 0.477 0.800 0.400 CB 0.882 Z: 19 15.863 1.932 0.606 0.606 0.833 0.667 CB 1.307 19 residues pruned to eliminate duplicates Z: 22 29.087 1.961 0.734 0.815 1.000 0.619 CB 1.420 22 residues pruned to eliminate duplicates Z: 6 11.779 1.836 0.771 0.795 1.000 0.800 CB 1.251 6 residues pruned to eliminate duplicates Z: 19 26.849 2.006 0.658 0.916 1.000 0.889 CB 1.343 19 residues pruned to eliminate duplicates Z: 19 25.915 1.946 0.917 0.887 0.944 0.611 CB 1.251 19 residues pruned to eliminate duplicates Z: 6 4.481 1.730 0.394 0.683 1.000 0.400 CB 0.702 Z: 20 20.185 1.770 0.922 0.789 0.842 0.368 CB 1.253 20 residues pruned to eliminate duplicates Z: 13 13.003 1.672 0.599 0.863 0.833 0.750 CB 1.237 13 residues pruned to eliminate duplicates Z: 9 11.071 1.686 0.693 0.826 1.000 0.875 CB 1.035 9 residues pruned to eliminate duplicates Z: 20 18.752 1.888 0.448 0.928 1.000 0.947 CB 1.102 20 residues pruned to eliminate duplicates Z: 18 19.768 1.762 0.521 0.892 1.000 0.941 CB 1.285 18 residues pruned to eliminate duplicates Z: 20 19.865 1.804 0.735 0.810 0.895 0.737 CB 1.243 20 residues pruned to eliminate duplicates Z: 7 3.530 1.713 0.230 0.810 1.000 0.833 CB 0.522 Z: 20 23.420 1.931 0.743 0.892 0.947 0.789 CB 1.210 20 residues pruned to eliminate duplicates Z: 17 10.634 1.650 0.691 0.880 0.938 0.375 CB 0.736 17 residues pruned to eliminate duplicates Z: 9 8.619 1.905 0.433 0.787 1.000 0.875 CB 0.867 Z: 6 4.863 1.574 1.055 0.837 0.800 0.800 CB 0.629 6 residues pruned to eliminate duplicates Z: 7 4.021 1.573 0.589 0.538 0.667 0.333 CB 0.950 6 residues pruned to eliminate duplicates Z: 19 23.059 1.871 0.877 0.885 1.000 0.778 CB 1.117 18 residues pruned to eliminate duplicates Z: 10 14.009 1.671 1.044 0.870 1.000 0.778 O 0.998 10 residues pruned to eliminate duplicates Z: 19 16.313 1.841 0.472 0.891 1.000 0.944 CB 1.020 20 residues pruned to eliminate duplicates Z: 20 19.636 1.907 0.796 0.620 0.842 0.632 CB 1.395 20 residues pruned to eliminate duplicates Z: 18 25.082 1.978 0.613 0.931 1.000 0.941 CB 1.333 21 residues pruned to eliminate duplicates Z: 11 11.393 1.727 0.356 0.890 1.000 0.900 CB 1.107 11 residues pruned to eliminate duplicates Z: 15 19.325 1.792 0.875 0.850 0.929 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 16 15.561 1.800 0.484 0.886 1.000 0.867 CB 1.085 16 residues pruned to eliminate duplicates Z: 18 24.670 1.856 0.529 0.930 1.000 1.000 CB 1.474 18 residues pruned to eliminate duplicates Z: 15 16.208 1.824 0.667 0.906 0.929 0.857 CB 1.092 15 residues pruned to eliminate duplicates Z: 22 24.241 1.895 0.616 0.893 0.952 0.810 CB 1.302 22 residues pruned to eliminate duplicates Z: 20 18.757 1.898 0.401 0.911 0.947 0.895 CB 1.211 20 residues pruned to eliminate duplicates Z: 22 23.506 1.884 0.749 0.872 1.000 0.524 CB 1.135 22 residues pruned to eliminate duplicates Z: 12 6.579 1.623 0.384 0.625 0.818 0.545 CB 0.959 12 residues pruned to eliminate duplicates Z: 12 14.796 1.811 0.601 0.772 1.000 0.818 CB 1.210 12 residues pruned to eliminate duplicates Z: 7 7.224 1.727 0.441 0.846 1.000 0.667 CB 0.880 7 residues pruned to eliminate duplicates 8 1.749 1.574 0.470 0.238 0.571 0.286 CB 0.678 ? Z: 22 21.823 1.911 0.410 0.952 1.000 1.000 CB 1.217 22 residues pruned to eliminate duplicates Z: 38 32.301 1.981 0.786 0.734 0.919 0.676 CB 1.324 38 residues pruned to eliminate duplicates Z: 19 16.921 1.913 0.363 0.912 0.944 0.778 CB 1.147 19 residues pruned to eliminate duplicates Z: 9 6.163 1.866 0.154 0.766 1.000 0.875 CB 0.799 9 residues pruned to eliminate duplicates Z: 17 14.460 1.846 0.485 0.705 0.938 0.625 CB 1.167 17 residues pruned to eliminate duplicates Z: 6 2.978 1.418 0.233 0.296 1.000 0.400 CB 0.957 Z: 16 19.248 1.973 0.298 0.928 1.000 1.000 CB 1.358 16 residues pruned to eliminate duplicates Z: 18 23.641 1.900 0.910 0.919 1.000 0.824 CB 1.114 18 residues pruned to eliminate duplicates Z: 8 7.634 1.779 0.434 0.771 1.000 0.714 CB 0.890 8 residues pruned to eliminate duplicates Z: 6 5.949 2.001 0.674 0.871 1.000 1.000 CB 0.579 Z: 17 16.948 1.984 0.518 0.661 0.875 0.750 CB 1.385 13 residues pruned to eliminate duplicates 6 0.850 1.799 0.661 0.822 1.000 0.800 CB 0.096 ? Z: 37 19.412 1.895 0.287 0.567 0.833 0.583 CB 1.493 37 residues pruned to eliminate duplicates Z: 23 28.518 1.823 1.069 0.821 0.955 0.500 CB 1.279 23 residues pruned to eliminate duplicates Z: 19 22.709 1.918 0.531 0.887 1.000 0.833 CB 1.314 19 residues pruned to eliminate duplicates Z: 11 7.703 1.671 0.246 0.513 0.900 0.500 CB 1.284 11 residues pruned to eliminate duplicates Z: 37 22.256 1.809 0.769 0.742 0.917 0.500 CB 1.018 55 residues pruned to eliminate duplicates 6 1.812 1.381 1.223 0.297 0.400 0.400 N 0.828 ? Z: 28 25.651 1.953 0.792 0.810 0.889 0.630 CB 1.211 28 residues pruned to eliminate duplicates Z: 20 17.566 1.664 0.761 0.820 0.947 0.632 CB 1.100 21 residues pruned to eliminate duplicates Z: 17 13.559 1.703 0.417 0.885 1.000 0.562 CB 1.015 11 residues pruned to eliminate duplicates Z: 11 3.120 1.471 0.631 0.836 1.000 0.700 CB 0.308 4 residues pruned to eliminate duplicates Z: 8 4.309 1.592 0.072 0.462 0.857 0.429 CB 1.157 Z: 15 15.179 1.936 0.136 0.916 1.000 0.929 CB 1.303 15 residues pruned to eliminate duplicates Z: 11 17.826 1.888 1.185 0.703 0.900 0.800 CB 1.262 13 residues pruned to eliminate duplicates Z: 9 5.865 1.702 0.379 0.852 1.000 1.000 CB 0.654 9 residues pruned to eliminate duplicates Z: 6 4.514 1.934 0.343 0.760 0.800 0.600 CB 0.771 Z: 15 19.127 1.755 0.516 0.893 1.000 0.714 CB 1.379 15 residues pruned to eliminate duplicates Z: 17 12.756 1.729 0.405 0.888 0.938 0.750 CB 1.009 17 residues pruned to eliminate duplicates Z: 8 3.331 1.380 0.418 0.451 0.714 0.571 N 0.947 Z: 6 5.523 1.539 0.391 0.524 1.000 0.600 N 1.126 Z: 6 2.500 1.689 -0.041 0.440 0.600 0.400 CB 1.224 Z: 6 8.608 1.751 1.043 0.880 1.000 1.000 CB 0.780 Z: 45 21.951 1.921 0.463 0.660 0.932 0.636 CB 1.089 46 residues pruned to eliminate duplicates Z: 18 23.298 1.840 0.915 0.939 0.941 0.412 CB 1.185 18 residues pruned to eliminate duplicates Z: 17 22.579 1.912 0.895 0.863 0.875 0.688 CB 1.306 17 residues pruned to eliminate duplicates Z: 20 19.395 1.929 0.552 0.805 0.842 0.684 CB 1.353 20 residues pruned to eliminate duplicates Z: 14 10.435 1.728 0.454 0.754 0.923 0.385 CB 0.995 14 residues pruned to eliminate duplicates Z: 13 13.252 1.793 0.383 0.868 0.917 0.750 CB 1.230 13 residues pruned to eliminate duplicates Z: 10 4.648 1.714 0.296 0.755 0.889 0.556 CB 0.625 8 residues pruned to eliminate duplicates Z: 15 18.080 1.808 0.770 0.875 1.000 0.357 CB 1.098 15 residues pruned to eliminate duplicates Z: 6 5.255 1.477 0.774 0.803 1.000 0.800 CB 0.688 6 residues pruned to eliminate duplicates 6 1.546 1.656 0.660 0.192 0.600 0.400 CB 0.606 ? Z: 12 13.843 1.592 0.818 0.824 0.909 0.727 CB 1.198 12 residues pruned to eliminate duplicates Z: 34 23.305 1.904 0.562 0.707 0.879 0.576 CB 1.286 18 residues pruned to eliminate duplicates Z: 9 12.832 1.653 0.526 0.884 1.000 1.000 CB 1.299 Z: 16 20.657 1.885 0.852 0.884 1.000 0.600 CB 1.104 16 residues pruned to eliminate duplicates Z: 27 25.996 1.964 0.703 0.732 0.962 0.731 CB 1.287 27 residues pruned to eliminate duplicates Z: 20 15.339 1.723 0.458 0.914 1.000 0.842 CB 0.991 20 residues pruned to eliminate duplicates Z: 17 22.794 1.961 0.582 0.876 1.000 0.812 CB 1.334 17 residues pruned to eliminate duplicates Z: 6 2.202 1.514 0.513 0.284 0.800 0.400 CB 0.685 6 1.635 1.396 0.176 0.224 0.800 0.400 CB 0.770 ? Z: 13 11.003 1.627 0.560 0.649 1.000 0.833 CB 1.089 13 residues pruned to eliminate duplicates Z: 22 10.147 1.744 0.458 0.515 0.762 0.667 CB 1.126 22 residues pruned to eliminate duplicates Z: 9 5.961 1.708 0.507 0.618 0.875 0.625 CB 0.837 6 residues pruned to eliminate duplicates Z: 10 7.062 1.743 0.245 0.601 1.000 0.667 CB 0.985 10 residues pruned to eliminate duplicates Z: 24 18.160 1.931 0.480 0.597 0.913 0.696 CB 1.323 18 residues pruned to eliminate duplicates Z: 18 21.475 1.761 0.780 0.895 1.000 0.882 CB 1.191 19 residues pruned to eliminate duplicates Z: 9 2.528 1.604 0.387 0.152 0.625 0.125 CB 0.986 Z: 18 10.223 1.524 0.568 0.735 0.824 0.529 CB 1.020 16 residues pruned to eliminate duplicates Z: 8 9.265 1.875 0.633 0.807 0.857 0.857 CB 1.021 8 residues pruned to eliminate duplicates Z: 18 11.955 1.714 0.782 0.770 0.765 0.176 CB 0.978 18 residues pruned to eliminate duplicates Z: 16 4.761 1.688 0.189 0.291 0.733 0.467 CB 1.056 16 residues pruned to eliminate duplicates Z: 18 9.769 1.542 0.545 0.860 0.941 0.529 CB 0.777 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 5.513 1.719 0.815 0.770 0.800 0.600 CB 0.778 7 residues pruned to eliminate duplicates Z: 6 2.727 1.693 0.777 0.776 0.600 0.400 CB 0.530 6 residues pruned to eliminate duplicates Z: 6 3.943 1.706 0.749 0.758 0.800 0.400 CB 0.587 6 residues pruned to eliminate duplicates Z: 6 7.966 1.485 0.826 0.752 1.000 0.400 CB 1.049 12 residues pruned to eliminate duplicates Z: 18 16.549 1.725 0.589 0.895 1.000 0.882 CB 1.050 17 residues pruned to eliminate duplicates Z: 18 17.070 1.744 0.749 0.885 1.000 0.765 CB 0.980 18 residues pruned to eliminate duplicates Z: 21 15.016 1.738 0.573 0.653 0.950 0.700 CB 1.122 14 residues pruned to eliminate duplicates Z: 16 16.482 1.809 0.683 0.910 1.000 0.867 CB 0.992 16 residues pruned to eliminate duplicates Z: 14 15.194 1.941 0.570 0.908 1.000 1.000 CB 0.982 14 residues pruned to eliminate duplicates Z: 16 13.119 1.818 0.768 0.798 0.867 0.867 CB 0.937 16 residues pruned to eliminate duplicates Z: 15 18.297 1.907 0.930 0.847 1.000 0.929 CB 0.986 15 residues pruned to eliminate duplicates Z: 16 15.689 1.857 0.667 0.784 0.933 0.933 CB 1.093 16 residues pruned to eliminate duplicates Z: 16 16.337 1.820 0.965 0.789 0.933 0.867 CB 0.980 16 residues pruned to eliminate duplicates Z: 15 14.414 1.845 0.903 0.768 0.857 0.786 CB 1.009 15 residues pruned to eliminate duplicates Z: 18 15.774 1.761 0.872 0.703 0.882 0.588 CB 1.093 18 residues pruned to eliminate duplicates Z: 10 8.045 1.792 0.668 0.645 0.667 0.111 N 1.175 10 residues pruned to eliminate duplicates Z: 16 7.697 1.574 0.563 0.426 0.733 0.133 CB 1.189 16 residues pruned to eliminate duplicates Z: 13 10.188 1.750 0.720 0.478 0.750 0.500 N 1.333 13 residues pruned to eliminate duplicates Z: 30 17.338 1.728 0.692 0.589 0.897 0.552 CB 1.127 38 residues pruned to eliminate duplicates Z: 21 14.721 1.536 0.660 0.771 1.000 0.700 CB 1.016 19 residues pruned to eliminate duplicates Z: 7 5.316 1.449 0.429 0.494 1.000 0.500 O 1.054 7 residues pruned to eliminate duplicates Z: 21 13.859 1.755 0.738 0.621 0.850 0.600 CB 1.067 21 residues pruned to eliminate duplicates Z: 12 8.591 1.718 0.595 0.727 0.818 0.545 CB 0.942 12 residues pruned to eliminate duplicates Z: 13 11.614 1.774 0.594 0.723 0.833 0.750 CB 1.163 13 residues pruned to eliminate duplicates Z: 30 21.718 1.761 0.800 0.756 0.931 0.759 CB 1.088 30 residues pruned to eliminate duplicates Z: 12 9.228 1.705 0.536 0.795 0.818 0.455 CB 1.003 12 residues pruned to eliminate duplicates Z: 13 11.606 1.742 0.773 0.824 0.833 0.583 CB 0.984 13 residues pruned to eliminate duplicates Z: 17 11.718 1.669 0.641 0.595 0.875 0.375 CB 1.116 17 residues pruned to eliminate duplicates Z: 23 13.412 1.597 0.723 0.652 0.818 0.455 CB 1.102 23 residues pruned to eliminate duplicates Z: 28 13.811 1.727 0.561 0.673 0.852 0.630 CB 0.987 28 residues pruned to eliminate duplicates Z: 13 11.799 1.744 0.575 0.766 0.917 0.833 CB 1.069 13 residues pruned to eliminate duplicates Z: 34 24.535 1.744 0.915 0.817 0.939 0.545 CB 1.034 35 residues pruned to eliminate duplicates Z: 17 16.691 1.649 0.835 0.857 0.938 0.688 CB 1.084 17 residues pruned to eliminate duplicates Z: 31 16.098 1.705 0.699 0.673 0.800 0.500 CB 1.080 31 residues pruned to eliminate duplicates Z: 33 23.538 1.745 0.785 0.793 0.938 0.688 CB 1.102 33 residues pruned to eliminate duplicates Z: 16 18.597 1.691 0.906 0.848 1.000 0.733 CB 1.105 16 residues pruned to eliminate duplicates Z: 10 4.531 1.417 0.396 0.385 0.778 0.333 C 1.109 10 residues pruned to eliminate duplicates Z: 7 4.726 1.401 0.658 0.436 0.833 0.167 N 1.066 7 residues pruned to eliminate duplicates Z: 9 7.178 1.706 0.763 0.669 1.000 1.000 CB 0.722 9 residues pruned to eliminate duplicates Z: 36 26.287 1.990 0.687 0.746 0.943 0.714 CB 1.126 36 residues pruned to eliminate duplicates Z: 19 13.915 1.863 0.782 0.795 0.944 0.778 CB 0.808 18 residues pruned to eliminate duplicates Z: 19 16.380 1.976 0.466 0.931 1.000 0.944 CB 0.932 19 residues pruned to eliminate duplicates Z: 18 18.015 1.908 0.900 0.866 1.000 0.824 CB 0.883 18 residues pruned to eliminate duplicates Z: 21 18.379 1.963 0.968 0.816 0.900 0.700 CB 0.898 21 residues pruned to eliminate duplicates Z: 37 27.388 1.981 0.828 0.755 0.917 0.806 CB 1.095 37 residues pruned to eliminate duplicates Z: 21 16.491 1.869 0.732 0.850 1.000 0.800 CB 0.844 21 residues pruned to eliminate duplicates Z: 24 17.741 1.904 0.937 0.731 0.870 0.652 CB 0.937 24 residues pruned to eliminate duplicates Z: 25 18.369 1.890 0.892 0.754 0.958 0.667 CB 0.872 25 residues pruned to eliminate duplicates Z: 22 21.582 1.934 0.968 0.791 0.952 0.619 CB 1.006 22 residues pruned to eliminate duplicates Z: 41 28.588 1.995 0.595 0.795 0.925 0.725 CB 1.186 43 residues pruned to eliminate duplicates Z: 20 19.952 1.874 1.293 0.917 1.000 0.842 CB 0.752 20 residues pruned to eliminate duplicates Z: 39 28.672 1.924 0.886 0.752 0.947 0.605 CB 1.080 39 residues pruned to eliminate duplicates Z: 24 18.719 1.881 1.049 0.795 0.957 0.478 CB 0.817 24 residues pruned to eliminate duplicates Z: 39 24.046 1.866 0.817 0.753 0.868 0.658 CB 1.057 39 residues pruned to eliminate duplicates Z: 25 17.777 1.849 1.056 0.779 0.917 0.708 CB 0.814 25 residues pruned to eliminate duplicates Z: 35 25.515 1.953 0.886 0.772 0.941 0.765 CB 0.992 35 residues pruned to eliminate duplicates Z: 63 35.687 1.945 0.714 0.711 0.935 0.581 CB 1.200 59 residues pruned to eliminate duplicates Z: 14 17.372 1.898 0.765 0.612 0.846 0.538 CB 1.529 14 residues pruned to eliminate duplicates Z: 42 28.618 1.945 0.706 0.785 0.927 0.683 CB 1.131 42 residues pruned to eliminate duplicates Z: 17 16.783 2.003 0.633 0.642 0.875 0.562 CB 1.284 17 residues pruned to eliminate duplicates Z: 40 29.474 2.010 0.621 0.814 0.923 0.718 CB 1.194 40 residues pruned to eliminate duplicates Z: 13 17.243 2.084 0.609 0.649 0.833 0.583 CB 1.551 13 residues pruned to eliminate duplicates Z: 42 30.892 1.976 0.738 0.762 0.927 0.805 CB 1.201 42 residues pruned to eliminate duplicates Z: 39 32.599 2.046 0.664 0.825 0.947 0.763 CB 1.237 39 residues pruned to eliminate duplicates Z: 19 26.200 2.098 0.686 0.815 0.833 0.611 CB 1.593 19 residues pruned to eliminate duplicates Z: 40 31.932 1.974 0.864 0.775 0.923 0.692 CB 1.181 40 residues pruned to eliminate duplicates Z: 40 31.127 1.999 0.756 0.821 0.923 0.744 CB 1.165 40 residues pruned to eliminate duplicates Z: 18 30.178 2.121 0.712 0.894 0.941 0.824 CB 1.536 18 residues pruned to eliminate duplicates Z: 19 23.352 1.993 0.576 0.834 0.944 0.778 CB 1.391 19 residues pruned to eliminate duplicates Z: 40 33.119 1.989 0.853 0.827 0.949 0.590 CB 1.143 40 residues pruned to eliminate duplicates Z: 31 35.594 2.046 0.963 0.728 0.900 0.567 CB 1.464 31 residues pruned to eliminate duplicates Z: 24 23.420 2.035 0.733 0.622 0.826 0.522 CB 1.493 24 residues pruned to eliminate duplicates Z: 19 29.329 2.068 0.715 0.835 0.944 0.667 CB 1.545 19 residues pruned to eliminate duplicates Z: 39 24.360 1.953 0.550 0.660 0.842 0.658 CB 1.336 39 residues pruned to eliminate duplicates Z: 45 29.082 1.994 0.744 0.727 0.909 0.568 CB 1.130 45 residues pruned to eliminate duplicates Z: 64 38.123 1.985 0.734 0.797 0.952 0.794 CB 1.130 64 residues pruned to eliminate duplicates Z: 49 25.890 1.929 0.765 0.694 0.854 0.625 CB 1.077 49 residues pruned to eliminate duplicates Z: 64 38.312 2.000 0.709 0.782 0.921 0.762 CB 1.196 64 residues pruned to eliminate duplicates Z: 13 10.147 1.962 0.442 0.622 0.833 0.667 CB 1.108 13 residues pruned to eliminate duplicates Z: 10 4.571 1.785 0.393 0.333 0.667 0.222 CB 1.103 10 residues pruned to eliminate duplicates Z: 62 33.881 1.958 0.680 0.763 0.951 0.574 CB 1.098 62 residues pruned to eliminate duplicates Z: 65 36.988 1.995 0.708 0.771 0.938 0.656 CB 1.139 65 residues pruned to eliminate duplicates Z: 41 31.560 2.011 0.478 0.754 0.950 0.725 CB 1.409 41 residues pruned to eliminate duplicates Z: 29 19.306 1.949 0.463 0.618 0.893 0.536 CB 1.282 29 residues pruned to eliminate duplicates Z: 63 38.069 2.030 0.653 0.788 0.935 0.758 CB 1.196 63 residues pruned to eliminate duplicates Z: 63 41.357 1.993 0.795 0.766 0.935 0.500 CB 1.240 63 residues pruned to eliminate duplicates Z: 25 22.180 2.009 0.634 0.786 0.875 0.708 CB 1.226 25 residues pruned to eliminate duplicates Z: 65 41.074 1.985 0.783 0.797 0.953 0.734 CB 1.173 65 residues pruned to eliminate duplicates Z: 67 37.859 1.976 0.831 0.757 0.909 0.742 CB 1.127 67 residues pruned to eliminate duplicates Z: 29 20.750 1.929 0.684 0.737 0.929 0.607 CB 1.051 29 residues pruned to eliminate duplicates Z: 19 25.031 1.991 0.891 0.825 0.889 0.556 CB 1.331 19 residues pruned to eliminate duplicates Z: 24 23.635 1.836 0.989 0.674 0.913 0.478 CB 1.258 24 residues pruned to eliminate duplicates Z: 63 43.454 2.005 0.897 0.781 0.919 0.677 CB 1.232 63 residues pruned to eliminate duplicates Z: 65 41.086 1.997 0.836 0.778 0.938 0.656 CB 1.169 65 residues pruned to eliminate duplicates Z: 31 21.537 1.897 0.792 0.681 0.867 0.567 CB 1.130 31 residues pruned to eliminate duplicates Z: 63 36.415 1.969 0.836 0.780 0.919 0.581 CB 1.087 63 residues pruned to eliminate duplicates Z: 16 32.069 2.049 1.102 0.918 1.000 0.800 CB 1.356 15 residues pruned to eliminate duplicates Z: 20 27.637 1.958 0.930 0.901 0.947 0.789 CB 1.264 20 residues pruned to eliminate duplicates Z: 20 18.877 1.954 0.805 0.868 0.842 0.632 CB 1.066 20 residues pruned to eliminate duplicates Z: 26 26.189 1.977 0.875 0.752 0.920 0.560 CB 1.227 26 residues pruned to eliminate duplicates Z: 22 20.130 2.007 0.683 0.750 0.857 0.762 CB 1.214 22 residues pruned to eliminate duplicates Z: 21 19.841 1.879 0.546 0.880 0.950 0.800 CB 1.164 21 residues pruned to eliminate duplicates Z: 21 18.184 1.982 0.706 0.801 0.900 0.750 CB 1.026 21 residues pruned to eliminate duplicates Z: 22 24.581 2.038 0.733 0.743 0.952 0.571 CB 1.283 22 residues pruned to eliminate duplicates Z: 19 21.162 2.078 0.633 0.810 0.944 0.833 CB 1.188 19 residues pruned to eliminate duplicates Z: 22 19.417 1.965 0.614 0.748 0.905 0.667 CB 1.183 22 residues pruned to eliminate duplicates Z: 37 29.535 1.980 0.840 0.784 0.861 0.611 CB 1.222 36 residues pruned to eliminate duplicates Z: 19 23.029 1.922 0.970 0.911 0.944 0.944 CB 1.076 19 residues pruned to eliminate duplicates Z: 19 21.679 2.033 0.865 0.852 0.889 0.778 CB 1.122 19 residues pruned to eliminate duplicates Z: 21 20.590 2.019 0.749 0.744 0.850 0.650 CB 1.233 21 residues pruned to eliminate duplicates Z: 36 22.163 1.916 0.760 0.700 0.857 0.657 CB 1.080 36 residues pruned to eliminate duplicates Z: 21 25.748 2.051 0.748 0.773 1.000 0.750 CB 1.261 21 residues pruned to eliminate duplicates Z: 20 25.730 2.064 0.960 0.814 1.000 0.474 CB 1.111 20 residues pruned to eliminate duplicates Z: 21 23.662 1.993 0.995 0.785 0.900 0.550 CB 1.151 21 residues pruned to eliminate duplicates Z: 21 26.938 2.055 0.995 0.808 0.900 0.700 CB 1.249 21 residues pruned to eliminate duplicates Z: 35 25.412 1.981 0.686 0.722 0.912 0.588 CB 1.170 35 residues pruned to eliminate duplicates Z: 20 21.778 2.029 0.935 0.774 0.895 0.579 CB 1.116 20 residues pruned to eliminate duplicates Z: 35 26.866 1.937 0.876 0.715 0.882 0.559 CB 1.183 35 residues pruned to eliminate duplicates Z: 35 25.462 2.022 0.715 0.686 0.824 0.676 CB 1.289 35 residues pruned to eliminate duplicates Z: 32 27.018 1.961 0.785 0.758 0.839 0.613 CB 1.314 32 residues pruned to eliminate duplicates Z: 33 25.308 1.967 0.854 0.721 0.875 0.625 CB 1.148 33 residues pruned to eliminate duplicates Z: 15 17.097 1.945 0.385 0.760 1.000 0.571 CB 1.346 15 residues pruned to eliminate duplicates Z: 18 12.232 1.810 0.308 0.722 0.882 0.706 CB 1.163 18 residues pruned to eliminate duplicates Z: 32 24.440 1.994 0.775 0.819 0.903 0.774 CB 1.041 32 residues pruned to eliminate duplicates Z: 33 27.154 2.018 0.643 0.759 0.938 0.812 CB 1.227 33 residues pruned to eliminate duplicates Z: 15 14.483 1.881 0.604 0.654 1.000 0.714 CB 1.111 15 residues pruned to eliminate duplicates Z: 15 17.165 1.946 0.463 0.762 0.929 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 12 17.785 2.048 0.456 0.795 1.000 0.818 CB 1.388 12 residues pruned to eliminate duplicates Z: 17 24.741 1.988 0.703 0.907 1.000 0.812 CB 1.299 17 residues pruned to eliminate duplicates Z: 17 25.581 1.988 0.556 0.897 1.000 0.875 CB 1.480 17 residues pruned to eliminate duplicates Z: 16 25.306 1.994 0.678 0.881 1.000 0.933 CB 1.414 16 residues pruned to eliminate duplicates Z: 18 20.987 1.891 0.608 0.796 0.941 0.647 CB 1.373 18 residues pruned to eliminate duplicates Z: 19 20.123 1.942 0.688 0.823 0.833 0.444 CB 1.312 19 residues pruned to eliminate duplicates Z: 15 16.594 1.990 0.381 0.813 0.929 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 17 21.009 1.951 0.545 0.808 0.938 0.625 CB 1.421 17 residues pruned to eliminate duplicates Z: 11 5.841 1.542 0.374 0.466 0.700 0.400 CB 1.290 6 residues pruned to eliminate duplicates Z: 9 9.618 1.534 0.656 0.854 0.750 0.375 O 1.319 9 residues pruned to eliminate duplicates Z: 17 7.749 1.798 0.261 0.445 0.750 0.375 CB 1.206 17 residues pruned to eliminate duplicates Z: 15 9.606 1.673 0.559 0.643 0.643 0.429 N 1.340 15 residues pruned to eliminate duplicates Z: 15 10.958 1.644 0.682 0.824 0.857 0.714 CB 0.933 15 residues pruned to eliminate duplicates Z: 21 14.931 1.848 0.310 0.835 1.000 0.850 CB 1.032 26 residues pruned to eliminate duplicates Z: 16 11.823 1.686 0.605 0.837 0.933 0.867 CB 0.904 16 residues pruned to eliminate duplicates Z: 10 7.922 1.709 0.555 0.657 0.778 0.778 N 1.104 10 residues pruned to eliminate duplicates Z: 15 17.482 1.976 0.440 0.810 0.929 0.857 CB 1.349 15 residues pruned to eliminate duplicates Z: 28 15.196 1.825 0.508 0.620 0.815 0.593 CB 1.165 44 residues pruned to eliminate duplicates Z: 12 14.987 1.776 0.561 0.744 0.909 0.545 CB 1.441 12 residues pruned to eliminate duplicates Z: 16 20.544 2.001 0.542 0.742 0.933 0.600 CB 1.483 16 residues pruned to eliminate duplicates Z: 14 13.194 1.998 0.648 0.644 0.769 0.308 CB 1.263 14 residues pruned to eliminate duplicates Z: 15 12.978 1.877 0.571 0.570 0.857 0.500 CB 1.283 15 residues pruned to eliminate duplicates Z: 26 15.138 1.885 0.733 0.648 0.840 0.560 CB 0.961 26 residues pruned to eliminate duplicates Z: 16 15.845 2.021 0.671 0.696 0.800 0.467 CB 1.266 16 residues pruned to eliminate duplicates Z: 14 17.725 1.988 0.647 0.715 0.923 0.462 CB 1.338 14 residues pruned to eliminate duplicates Z: 23 15.103 1.849 0.717 0.625 0.818 0.500 CB 1.102 23 residues pruned to eliminate duplicates Z: 12 17.779 1.887 0.868 0.866 0.909 0.455 CB 1.224 12 residues pruned to eliminate duplicates Z: 15 18.945 1.982 0.724 0.788 0.857 0.571 CB 1.343 15 residues pruned to eliminate duplicates Z: 20 15.938 1.883 0.857 0.614 0.842 0.526 CB 1.115 14 residues pruned to eliminate duplicates Z: 36 17.231 1.708 0.523 0.816 0.971 0.686 CB 0.876 23 residues pruned to eliminate duplicates Z: 13 12.019 1.907 0.610 0.827 0.917 0.833 CB 0.929 13 residues pruned to eliminate duplicates Z: 33 21.968 1.850 0.591 0.674 0.875 0.594 CB 1.285 33 residues pruned to eliminate duplicates Z: 25 22.267 1.982 0.731 0.767 0.958 0.750 CB 1.092 25 residues pruned to eliminate duplicates Z: 28 19.859 1.901 0.668 0.720 0.889 0.741 CB 1.112 28 residues pruned to eliminate duplicates Z: 26 16.366 1.923 0.477 0.718 0.880 0.600 CB 1.075 26 residues pruned to eliminate duplicates Z: 21 14.505 1.759 0.685 0.601 0.900 0.650 CB 1.104 21 residues pruned to eliminate duplicates Z: 16 15.126 1.799 0.653 0.749 0.933 0.600 CB 1.126 19 residues pruned to eliminate duplicates Z: 12 16.685 1.903 0.799 0.912 1.000 1.000 CB 1.041 12 residues pruned to eliminate duplicates Z: 14 16.345 1.873 0.844 0.831 1.000 0.692 CB 0.986 16 residues pruned to eliminate duplicates Z: 16 11.220 1.809 0.608 0.826 0.800 0.667 CB 0.939 16 residues pruned to eliminate duplicates Z: 34 24.835 1.884 0.715 0.738 0.848 0.667 CB 1.273 31 residues pruned to eliminate duplicates Z: 20 17.636 1.704 0.809 0.808 0.895 0.789 CB 1.121 19 residues pruned to eliminate duplicates Z: 18 17.949 1.672 0.734 0.893 1.000 0.706 CB 1.078 18 residues pruned to eliminate duplicates Z: 13 12.822 1.685 0.611 0.877 0.833 0.583 CB 1.188 12 residues pruned to eliminate duplicates Z: 20 15.904 1.708 0.715 0.777 0.895 0.526 CB 1.090 20 residues pruned to eliminate duplicates Z: 15 4.777 1.608 0.443 0.374 0.714 0.286 CB 0.882 Z: 25 15.033 1.759 0.374 0.871 0.958 0.833 CB 0.966 52 residues pruned to eliminate duplicates Z: 16 11.219 1.781 0.461 0.766 0.867 0.600 CB 1.015 16 residues pruned to eliminate duplicates Z: 15 13.185 1.807 0.508 0.842 1.000 0.786 CB 0.964 15 residues pruned to eliminate duplicates Z: 21 16.789 1.909 0.481 0.884 0.950 0.850 CB 1.009 20 residues pruned to eliminate duplicates Z: 20 22.178 1.953 0.835 0.911 0.947 0.789 CB 1.062 23 residues pruned to eliminate duplicates Z: 19 20.692 1.961 0.488 0.900 1.000 0.833 CB 1.194 19 residues pruned to eliminate duplicates Z: 21 16.193 1.934 0.651 0.767 0.900 0.800 CB 0.995 21 residues pruned to eliminate duplicates Z: 22 18.106 2.005 0.499 0.800 0.952 0.762 CB 1.062 22 residues pruned to eliminate duplicates Z: 32 16.669 1.872 0.538 0.692 0.839 0.645 CB 1.040 34 residues pruned to eliminate duplicates Z: 21 20.029 1.869 0.727 0.930 0.900 0.850 CB 1.078 21 residues pruned to eliminate duplicates Z: 18 16.316 1.973 0.671 0.784 0.882 0.824 CB 1.059 18 residues pruned to eliminate duplicates Z: 28 14.868 1.805 0.588 0.577 0.889 0.593 CB 1.043 28 residues pruned to eliminate duplicates Z: 19 15.529 1.947 0.771 0.709 0.833 0.444 CB 1.054 19 residues pruned to eliminate duplicates Z: 29 26.102 1.959 0.780 0.786 0.893 0.679 CB 1.232 34 residues pruned to eliminate duplicates Z: 21 21.551 1.857 0.887 0.887 0.950 0.550 CB 1.043 21 residues pruned to eliminate duplicates Z: 20 26.216 1.946 0.861 0.884 1.000 0.789 CB 1.200 18 residues pruned to eliminate duplicates Z: 17 20.390 1.940 0.836 0.838 0.938 0.688 CB 1.140 17 residues pruned to eliminate duplicates Z: 21 19.331 1.917 0.800 0.761 0.950 0.650 CB 1.046 21 residues pruned to eliminate duplicates Z: 20 19.586 1.958 0.717 0.841 0.947 0.789 CB 1.052 20 residues pruned to eliminate duplicates Z: 18 17.198 2.001 0.606 0.795 0.941 0.765 CB 1.065 18 residues pruned to eliminate duplicates Z: 18 19.191 1.995 0.812 0.867 0.941 0.941 CB 1.001 18 residues pruned to eliminate duplicates Z: 13 9.213 1.818 0.527 0.518 0.750 0.500 CB 1.255 13 residues pruned to eliminate duplicates Z: 11 16.160 1.920 0.609 0.790 1.000 0.700 CB 1.282 11 residues pruned to eliminate duplicates Z: 13 10.539 1.818 0.418 0.679 0.833 0.833 CB 1.201 13 residues pruned to eliminate duplicates Z: 15 11.066 1.847 0.515 0.582 0.786 0.643 CB 1.244 15 residues pruned to eliminate duplicates Z: 24 16.031 1.718 0.592 0.601 0.957 0.565 CB 1.161 46 residues pruned to eliminate duplicates Z: 16 13.956 1.803 0.577 0.606 0.933 0.533 CB 1.227 Z: 13 14.262 1.834 0.566 0.860 0.917 0.917 CB 1.150 12 residues pruned to eliminate duplicates Z: 15 14.190 1.775 0.826 0.703 0.857 0.429 CB 1.135 15 residues pruned to eliminate duplicates Z: 32 20.781 1.825 0.651 0.691 0.903 0.419 CB 1.152 49 residues pruned to eliminate duplicates Z: 28 16.100 1.841 0.628 0.642 0.778 0.444 CB 1.164 28 residues pruned to eliminate duplicates Z: 30 21.914 1.868 0.772 0.721 0.862 0.414 CB 1.168 30 residues pruned to eliminate duplicates Z: 15 16.851 1.786 0.813 0.816 0.929 0.571 CB 1.139 Z: 21 18.776 1.616 0.894 0.805 0.900 0.650 CB 1.168 17 residues pruned to eliminate duplicates Z: 18 19.119 1.723 0.825 0.855 0.941 0.706 CB 1.156 18 residues pruned to eliminate duplicates Z: 7 6.742 1.655 0.906 0.546 0.667 0.500 N 1.251 7 residues pruned to eliminate duplicates Z: 9 5.295 1.439 0.645 0.609 0.625 0.375 N 1.141 9 residues pruned to eliminate duplicates Z: 19 11.394 1.787 0.853 0.693 0.722 0.500 CB 0.941 19 residues pruned to eliminate duplicates Z: 8 11.143 1.880 0.905 0.594 0.857 0.714 CB 1.254 8 residues pruned to eliminate duplicates Z: 19 19.873 1.884 0.603 0.911 1.000 0.778 CB 1.099 19 residues pruned to eliminate duplicates Z: 12 9.476 1.802 0.710 0.626 0.727 0.364 CB 1.131 12 residues pruned to eliminate duplicates Z: 16 19.292 1.871 0.883 0.890 1.000 0.800 CB 1.017 16 residues pruned to eliminate duplicates Z: 18 18.575 1.841 0.837 0.853 0.941 0.765 CB 1.046 18 residues pruned to eliminate duplicates Z: 20 21.762 1.886 0.732 0.820 0.947 0.737 CB 1.222 19 residues pruned to eliminate duplicates Z: 17 23.846 1.936 0.781 0.876 0.938 0.625 CB 1.340 19 residues pruned to eliminate duplicates Z: 19 23.053 1.884 0.696 0.913 1.000 0.722 CB 1.204 19 residues pruned to eliminate duplicates Z: 16 22.120 1.871 0.862 0.845 1.000 0.800 CB 1.218 16 residues pruned to eliminate duplicates Z: 16 21.647 1.915 0.749 0.887 1.000 0.667 CB 1.203 16 residues pruned to eliminate duplicates Z: 17 22.241 1.867 0.791 0.804 0.938 0.688 CB 1.359 17 residues pruned to eliminate duplicates Z: 17 20.506 1.868 0.897 0.810 0.875 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 17 23.389 1.918 0.690 0.866 1.000 0.625 CB 1.320 17 residues pruned to eliminate duplicates Z: 17 22.661 1.946 0.806 0.828 0.938 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 18 22.590 1.893 0.862 0.827 0.941 0.471 CB 1.244 18 residues pruned to eliminate duplicates Z: 17 21.222 1.878 0.931 0.818 0.938 0.562 CB 1.184 17 residues pruned to eliminate duplicates Z: 19 17.314 1.774 0.639 0.766 0.944 0.667 CB 1.174 19 residues pruned to eliminate duplicates Z: 20 17.505 1.687 0.712 0.762 0.947 0.526 CB 1.162 20 residues pruned to eliminate duplicates Z: 40 28.680 1.940 0.556 0.737 0.923 0.641 CB 1.332 40 residues pruned to eliminate duplicates Z: 17 16.911 1.845 0.507 0.670 0.938 0.562 CB 1.387 18 residues pruned to eliminate duplicates Z: 20 22.888 2.034 0.435 0.920 0.947 0.842 CB 1.337 20 residues pruned to eliminate duplicates Z: 16 14.636 1.798 0.355 0.711 1.000 0.600 CB 1.280 15 residues pruned to eliminate duplicates Z: 23 19.786 1.935 0.445 0.878 0.909 0.773 CB 1.205 23 residues pruned to eliminate duplicates Z: 25 19.105 1.911 0.345 0.825 0.958 0.708 CB 1.195 25 residues pruned to eliminate duplicates Z: 24 25.865 1.992 0.597 0.827 0.957 0.739 CB 1.336 24 residues pruned to eliminate duplicates Z: 21 24.365 2.013 0.550 0.902 0.900 0.900 CB 1.383 21 residues pruned to eliminate duplicates Z: 22 22.548 2.017 0.456 0.891 0.952 0.714 CB 1.264 23 residues pruned to eliminate duplicates Z: 19 28.898 2.028 0.844 0.911 1.000 0.833 CB 1.290 19 residues pruned to eliminate duplicates Z: 23 22.149 1.964 0.730 0.857 0.909 0.636 CB 1.126 23 residues pruned to eliminate duplicates Z: 23 24.817 1.880 0.832 0.858 0.955 0.818 CB 1.185 23 residues pruned to eliminate duplicates Z: 19 30.839 2.062 0.926 0.936 1.000 0.778 CB 1.274 19 residues pruned to eliminate duplicates Z: 24 26.039 1.976 0.746 0.826 0.957 0.652 CB 1.241 24 residues pruned to eliminate duplicates Z: 26 19.363 1.956 0.613 0.739 0.840 0.400 CB 1.180 26 residues pruned to eliminate duplicates Z: 41 32.772 1.979 0.834 0.819 0.925 0.625 CB 1.170 41 residues pruned to eliminate duplicates Z: 25 22.212 1.885 1.109 0.700 0.833 0.500 CB 1.140 25 residues pruned to eliminate duplicates Z: 19 26.847 2.037 1.167 0.917 0.944 0.556 CB 1.071 19 residues pruned to eliminate duplicates Z: 23 22.566 1.984 0.847 0.807 0.864 0.455 CB 1.163 23 residues pruned to eliminate duplicates Z: 22 20.973 2.033 0.814 0.859 0.857 0.571 CB 1.066 22 residues pruned to eliminate duplicates Z: 25 24.180 1.965 0.882 0.693 0.875 0.458 CB 1.279 25 residues pruned to eliminate duplicates Z: 36 34.345 1.994 0.830 0.781 0.971 0.571 CB 1.278 36 residues pruned to eliminate duplicates Z: 42 36.765 1.992 0.821 0.787 0.951 0.732 CB 1.293 42 residues pruned to eliminate duplicates Z: 42 38.895 1.963 0.821 0.839 0.951 0.756 CB 1.334 42 residues pruned to eliminate duplicates Z: 20 25.072 1.915 0.793 0.865 1.000 0.789 CB 1.228 20 residues pruned to eliminate duplicates Z: 20 25.039 1.857 0.553 0.939 1.000 0.895 CB 1.384 20 residues pruned to eliminate duplicates Z: 40 35.935 1.983 0.816 0.789 0.923 0.718 CB 1.342 40 residues pruned to eliminate duplicates Z: 38 38.057 2.016 0.857 0.796 0.946 0.595 CB 1.364 38 residues pruned to eliminate duplicates Z: 19 26.987 1.944 0.708 0.933 1.000 0.889 CB 1.337 19 residues pruned to eliminate duplicates Z: 39 29.144 1.937 0.911 0.764 0.947 0.579 CB 1.066 39 residues pruned to eliminate duplicates Z: 41 35.999 1.978 0.856 0.805 0.950 0.750 CB 1.251 41 residues pruned to eliminate duplicates Z: 42 36.041 1.978 0.712 0.812 0.951 0.707 CB 1.332 42 residues pruned to eliminate duplicates Z: 42 31.151 1.948 0.925 0.768 0.878 0.561 CB 1.165 42 residues pruned to eliminate duplicates Z: 40 34.416 1.954 0.891 0.783 0.923 0.538 CB 1.259 40 residues pruned to eliminate duplicates Z: 41 33.572 1.998 0.875 0.787 0.875 0.625 CB 1.258 41 residues pruned to eliminate duplicates Z: 42 32.699 1.918 0.771 0.775 0.927 0.659 CB 1.272 42 residues pruned to eliminate duplicates Z: 44 38.126 1.958 0.816 0.805 0.977 0.721 CB 1.283 44 residues pruned to eliminate duplicates Z: 40 38.541 2.000 1.037 0.774 0.923 0.641 CB 1.288 40 residues pruned to eliminate duplicates Z: 23 27.260 1.925 1.014 0.764 0.955 0.636 CB 1.243 23 residues pruned to eliminate duplicates Z: 40 31.293 1.956 0.858 0.742 0.923 0.615 CB 1.203 40 residues pruned to eliminate duplicates Z: 21 25.455 1.922 0.782 0.828 0.950 0.700 CB 1.317 21 residues pruned to eliminate duplicates Z: 21 17.089 1.733 0.703 0.759 0.950 0.750 CB 1.082 21 residues pruned to eliminate duplicates Z: 11 7.772 1.697 0.803 0.714 0.800 0.700 CB 0.827 11 residues pruned to eliminate duplicates Z: 11 12.138 1.785 0.739 0.794 1.000 0.900 CB 0.955 12 residues pruned to eliminate duplicates Z: 16 12.688 1.778 0.451 0.915 1.000 0.867 CB 0.897 16 residues pruned to eliminate duplicates Z: 19 14.821 1.792 0.501 0.901 0.944 0.833 CB 0.981 18 residues pruned to eliminate duplicates Z: 19 14.627 1.696 0.660 0.906 1.000 0.889 CB 0.872 18 residues pruned to eliminate duplicates Z: 18 16.139 1.753 0.560 0.898 1.000 0.882 CB 1.024 18 residues pruned to eliminate duplicates Z: 13 13.003 1.819 0.574 0.796 1.000 0.667 CB 1.011 13 residues pruned to eliminate duplicates Z: 18 15.016 1.844 0.718 0.876 0.941 0.765 CB 0.888 18 residues pruned to eliminate duplicates Z: 19 18.217 1.869 0.771 0.903 0.944 0.778 CB 0.979 19 residues pruned to eliminate duplicates Z: 18 16.436 1.820 0.814 0.880 1.000 0.882 CB 0.875 18 residues pruned to eliminate duplicates Z: 24 15.340 1.813 0.801 0.678 0.913 0.609 CB 0.910 24 residues pruned to eliminate duplicates Z: 17 15.818 1.831 1.018 0.889 0.875 0.438 CB 0.881 17 residues pruned to eliminate duplicates Z: 32 18.294 1.817 0.679 0.622 0.871 0.613 CB 1.102 32 residues pruned to eliminate duplicates Z: 10 10.741 1.809 0.942 0.675 0.889 0.444 CB 0.976 10 residues pruned to eliminate duplicates Z: 19 16.449 1.807 0.920 0.768 0.833 0.500 CB 1.058 19 residues pruned to eliminate duplicates Z: 22 17.152 1.870 0.953 0.705 0.905 0.619 CB 0.940 22 residues pruned to eliminate duplicates Z: 15 9.666 1.899 0.538 0.562 0.786 0.357 CB 1.061 15 residues pruned to eliminate duplicates Z: 33 23.448 1.841 0.652 0.693 0.938 0.688 CB 1.218 36 residues pruned to eliminate duplicates Z: 16 16.266 1.808 0.493 0.867 0.933 0.800 CB 1.219 16 residues pruned to eliminate duplicates Z: 35 23.167 1.823 0.795 0.738 0.912 0.559 CB 1.076 35 residues pruned to eliminate duplicates Z: 20 20.014 1.873 0.651 0.783 0.895 0.632 CB 1.294 20 residues pruned to eliminate duplicates Z: 35 28.223 1.880 0.793 0.778 0.941 0.618 CB 1.194 35 residues pruned to eliminate duplicates Z: 19 19.638 1.907 0.659 0.794 0.889 0.722 CB 1.272 19 residues pruned to eliminate duplicates Z: 35 26.758 1.860 0.768 0.774 0.941 0.588 CB 1.164 35 residues pruned to eliminate duplicates Z: 20 21.111 1.899 0.648 0.761 0.947 0.684 CB 1.295 20 residues pruned to eliminate duplicates Z: 36 25.391 1.870 0.787 0.781 0.914 0.600 CB 1.097 36 residues pruned to eliminate duplicates Z: 35 27.808 1.845 0.901 0.770 0.941 0.735 CB 1.138 35 residues pruned to eliminate duplicates Z: 22 17.201 1.809 0.646 0.676 0.905 0.857 CB 1.185 22 residues pruned to eliminate duplicates Z: 27 23.242 1.942 0.714 0.771 0.923 0.692 CB 1.168 27 residues pruned to eliminate duplicates Z: 37 25.560 1.813 0.751 0.746 0.917 0.556 CB 1.175 36 residues pruned to eliminate duplicates Z: 17 25.732 1.954 0.681 0.921 1.000 0.938 CB 1.378 17 residues pruned to eliminate duplicates Z: 18 24.902 1.945 0.632 0.880 1.000 0.941 CB 1.379 18 residues pruned to eliminate duplicates Z: 24 16.727 1.888 0.552 0.689 0.870 0.696 CB 1.152 24 residues pruned to eliminate duplicates Z: 42 25.666 1.878 0.755 0.684 0.878 0.585 CB 1.170 42 residues pruned to eliminate duplicates Z: 11 15.943 1.868 0.837 0.746 1.000 0.500 CB 1.179 11 residues pruned to eliminate duplicates Z: 11 9.675 1.766 0.903 0.597 0.700 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 12 13.614 1.830 1.205 0.634 0.727 0.455 CB 1.234 12 residues pruned to eliminate duplicates Z: 12 15.927 1.783 1.252 0.629 0.818 0.273 CB 1.295 13 residues pruned to eliminate duplicates Z: 17 20.428 1.736 1.099 0.852 0.938 0.438 CB 1.106 20 residues pruned to eliminate duplicates Z: 12 16.605 1.714 1.173 0.753 0.818 0.364 CB 1.312 12 residues pruned to eliminate duplicates Z: 26 21.092 1.904 0.663 0.602 0.880 0.600 CB 1.373 27 residues pruned to eliminate duplicates Z: 23 15.037 1.750 0.802 0.779 0.773 0.227 CB 1.028 19 residues pruned to eliminate duplicates Z: 21 21.856 1.732 0.860 0.848 0.950 0.450 CB 1.185 21 residues pruned to eliminate duplicates Z: 8 3.226 1.676 0.611 0.216 0.714 0.000 CB 0.884 8 residues pruned to eliminate duplicates Z: 9 2.888 1.658 0.308 0.166 0.625 0.125 N 1.132 9 residues pruned to eliminate duplicates Z: 33 16.471 1.842 0.483 0.474 0.812 0.562 CB 1.347 33 residues pruned to eliminate duplicates Z: 33 19.558 1.870 0.655 0.562 0.844 0.562 CB 1.247 33 residues pruned to eliminate duplicates Z: 21 14.480 1.911 0.457 0.558 0.750 0.550 CB 1.466 21 residues pruned to eliminate duplicates Z: 18 20.966 2.020 0.507 0.702 0.941 0.588 CB 1.477 18 residues pruned to eliminate duplicates Z: 27 18.856 1.867 0.537 0.545 0.846 0.385 CB 1.458 27 residues pruned to eliminate duplicates Z: 25 14.356 1.949 0.309 0.495 0.792 0.625 CB 1.458 25 residues pruned to eliminate duplicates Z: 19 15.460 1.930 0.427 0.665 0.833 0.611 CB 1.362 19 residues pruned to eliminate duplicates Z: 13 19.831 1.977 0.570 0.829 0.917 0.833 CB 1.514 13 residues pruned to eliminate duplicates Z: 17 18.791 1.976 0.522 0.621 0.875 0.500 CB 1.592 17 residues pruned to eliminate duplicates Z: 22 15.982 1.894 0.423 0.570 0.857 0.476 CB 1.411 22 residues pruned to eliminate duplicates Z: 33 19.533 1.835 0.601 0.541 0.812 0.438 CB 1.390 33 residues pruned to eliminate duplicates Z: 23 18.373 1.914 0.545 0.555 0.818 0.455 CB 1.535 23 residues pruned to eliminate duplicates Z: 26 15.120 1.852 0.408 0.526 0.800 0.440 CB 1.413 26 residues pruned to eliminate duplicates Z: 18 21.105 1.886 0.653 0.650 0.941 0.588 CB 1.518 18 residues pruned to eliminate duplicates Z: 32 25.994 1.931 0.406 0.722 0.935 0.581 CB 1.504 47 residues pruned to eliminate duplicates Z: 7 3.854 1.559 -0.064 0.475 1.000 0.167 CB 1.106 7 residues pruned to eliminate duplicates Z: 31 24.116 1.988 0.510 0.683 0.833 0.600 CB 1.488 31 residues pruned to eliminate duplicates Z: 32 24.465 1.957 0.450 0.673 0.903 0.548 CB 1.462 32 residues pruned to eliminate duplicates Z: 41 24.547 1.923 0.545 0.608 0.850 0.500 CB 1.387 41 residues pruned to eliminate duplicates Z: 32 23.947 1.932 0.551 0.668 0.839 0.452 CB 1.465 32 residues pruned to eliminate duplicates Z: 18 16.091 1.900 0.427 0.711 0.824 0.647 CB 1.443 18 residues pruned to eliminate duplicates Z: 33 28.209 1.965 0.489 0.718 0.938 0.688 CB 1.493 33 residues pruned to eliminate duplicates Z: 15 19.970 1.844 0.493 0.826 0.929 0.643 N 1.575 15 residues pruned to eliminate duplicates Z: 16 14.648 1.859 0.430 0.696 0.867 0.600 CB 1.372 16 residues pruned to eliminate duplicates Z: 31 25.283 1.988 0.489 0.697 0.900 0.633 CB 1.447 31 residues pruned to eliminate duplicates Z: 32 26.064 1.965 0.474 0.685 0.935 0.613 CB 1.458 32 residues pruned to eliminate duplicates Z: 33 25.744 1.948 0.504 0.680 0.906 0.438 CB 1.452 33 residues pruned to eliminate duplicates Z: 15 19.549 1.841 0.526 0.724 0.929 0.571 O 1.636 15 residues pruned to eliminate duplicates Z: 33 27.035 1.931 0.527 0.700 0.938 0.625 CB 1.441 33 residues pruned to eliminate duplicates Z: 9 14.780 1.552 0.814 0.799 1.000 0.500 O 1.429 9 residues pruned to eliminate duplicates Z: 15 20.486 1.875 0.516 0.801 0.929 0.571 CB 1.594 15 residues pruned to eliminate duplicates Z: 49 24.768 1.858 0.538 0.603 0.812 0.479 CB 1.395 49 residues pruned to eliminate duplicates Z: 22 16.089 1.914 0.288 0.727 0.905 0.667 CB 1.282 30 residues pruned to eliminate duplicates Z: 9 4.427 1.640 0.310 0.434 0.750 0.250 N 1.040 9 residues pruned to eliminate duplicates Z: 22 21.523 1.910 0.427 0.888 1.000 0.810 CB 1.241 22 residues pruned to eliminate duplicates Z: 21 22.441 1.929 0.431 0.865 1.000 0.850 CB 1.332 21 residues pruned to eliminate duplicates Z: 25 20.659 1.853 0.542 0.753 0.958 0.833 CB 1.229 25 residues pruned to eliminate duplicates Z: 9 13.473 1.917 0.838 0.718 0.875 0.875 CB 1.268 9 residues pruned to eliminate duplicates Z: 22 22.680 1.990 0.689 0.835 0.952 0.714 CB 1.158 22 residues pruned to eliminate duplicates Z: 19 20.959 1.933 0.621 0.856 0.889 0.833 CB 1.308 19 residues pruned to eliminate duplicates Z: 23 19.354 1.956 0.883 0.749 0.773 0.727 CB 1.161 23 residues pruned to eliminate duplicates Z: 18 24.051 2.000 0.840 0.885 0.941 0.882 CB 1.217 18 residues pruned to eliminate duplicates Z: 18 22.854 2.006 0.775 0.882 0.941 0.824 CB 1.197 18 residues pruned to eliminate duplicates Z: 20 25.164 2.025 0.980 0.816 0.895 0.737 CB 1.223 20 residues pruned to eliminate duplicates Z: 31 23.378 1.923 0.733 0.661 0.833 0.700 CB 1.325 31 residues pruned to eliminate duplicates Z: 19 25.229 2.041 0.988 0.845 0.889 0.778 CB 1.226 19 residues pruned to eliminate duplicates Z: 21 23.650 2.064 0.744 0.793 0.900 0.700 CB 1.262 21 residues pruned to eliminate duplicates Z: 19 23.335 2.012 1.008 0.858 0.889 0.833 CB 1.127 19 residues pruned to eliminate duplicates Z: 40 27.712 1.916 0.623 0.770 0.923 0.667 CB 1.217 40 residues pruned to eliminate duplicates Z: 27 22.807 1.976 0.690 0.759 0.846 0.692 CB 1.257 27 residues pruned to eliminate duplicates Z: 21 24.135 2.013 0.809 0.786 0.900 0.800 CB 1.280 21 residues pruned to eliminate duplicates Z: 20 23.976 2.032 0.855 0.870 0.895 0.842 CB 1.190 20 residues pruned to eliminate duplicates Z: 37 26.477 1.950 0.588 0.740 0.917 0.611 CB 1.254 37 residues pruned to eliminate duplicates Z: 31 29.329 2.061 0.711 0.799 0.900 0.800 CB 1.299 31 residues pruned to eliminate duplicates Z: 17 13.207 1.821 0.654 0.552 0.875 0.312 CB 1.191 17 residues pruned to eliminate duplicates Z: 52 23.351 1.893 0.559 0.646 0.824 0.588 CB 1.174 52 residues pruned to eliminate duplicates Z: 26 26.113 2.016 0.851 0.791 0.920 0.720 CB 1.178 26 residues pruned to eliminate duplicates Z: 49 31.339 1.950 0.660 0.730 0.917 0.688 CB 1.239 48 residues pruned to eliminate duplicates Z: 19 23.683 1.946 0.574 0.907 1.000 0.889 CB 1.296 19 residues pruned to eliminate duplicates Z: 55 28.770 1.939 0.647 0.730 0.889 0.722 CB 1.121 55 residues pruned to eliminate duplicates Z: 68 29.942 1.919 0.652 0.724 0.866 0.642 CB 1.089 68 residues pruned to eliminate duplicates Z: 79 37.367 1.905 0.587 0.717 0.910 0.692 CB 1.263 83 residues pruned to eliminate duplicates Z: 18 24.095 1.932 0.771 0.888 1.000 0.824 CB 1.231 18 residues pruned to eliminate duplicates Z: 50 27.695 1.942 0.592 0.715 0.898 0.694 CB 1.173 50 residues pruned to eliminate duplicates Z: 61 24.406 1.868 0.600 0.604 0.867 0.600 CB 1.102 61 residues pruned to eliminate duplicates Z: 21 26.163 1.959 0.716 0.845 1.000 0.850 CB 1.294 21 residues pruned to eliminate duplicates Z: 45 30.833 1.956 0.614 0.751 0.909 0.750 CB 1.295 45 residues pruned to eliminate duplicates Z: 23 21.105 1.906 0.580 0.748 0.909 0.682 CB 1.317 23 residues pruned to eliminate duplicates Z: 39 33.706 2.003 0.778 0.832 0.921 0.737 CB 1.251 39 residues pruned to eliminate duplicates Z: 40 28.253 1.958 0.811 0.774 0.897 0.692 CB 1.116 40 residues pruned to eliminate duplicates Z: 66 28.735 1.861 0.640 0.624 0.877 0.646 CB 1.185 66 residues pruned to eliminate duplicates Z: 48 27.199 1.978 0.578 0.753 0.915 0.745 CB 1.109 48 residues pruned to eliminate duplicates Z: 47 29.343 1.965 0.693 0.705 0.935 0.609 CB 1.155 47 residues pruned to eliminate duplicates Z: 40 23.498 1.919 0.498 0.684 0.897 0.692 CB 1.231 40 residues pruned to eliminate duplicates Z: 52 31.714 1.936 0.625 0.740 0.980 0.667 CB 1.161 52 residues pruned to eliminate duplicates Z: 21 4.132 1.638 0.205 0.299 0.700 0.350 CB 0.837 21 residues pruned to eliminate duplicates Z: 61 31.171 1.983 0.602 0.708 0.917 0.700 CB 1.144 61 residues pruned to eliminate duplicates Z: 43 24.721 1.917 0.724 0.586 0.881 0.595 CB 1.207 43 residues pruned to eliminate duplicates Z: 54 32.802 1.898 0.760 0.736 0.943 0.698 CB 1.156 54 residues pruned to eliminate duplicates Z: 25 10.739 1.731 0.466 0.437 0.792 0.542 CB 1.165 25 residues pruned to eliminate duplicates Z: 28 18.651 1.950 0.494 0.704 0.926 0.741 CB 1.105 28 residues pruned to eliminate duplicates Z: 48 29.831 1.962 0.494 0.758 0.957 0.745 CB 1.232 48 residues pruned to eliminate duplicates Z: 41 28.316 1.922 0.610 0.780 1.000 0.700 CB 1.130 41 residues pruned to eliminate duplicates Z: 22 11.845 1.756 0.396 0.560 1.000 0.714 CB 0.994 22 residues pruned to eliminate duplicates Z: 33 18.958 1.986 0.396 0.665 0.875 0.688 CB 1.186 33 residues pruned to eliminate duplicates Z: 51 30.171 1.958 0.623 0.742 0.940 0.680 CB 1.150 51 residues pruned to eliminate duplicates Z: 31 19.138 1.925 0.755 0.650 0.900 0.667 CB 1.000 31 residues pruned to eliminate duplicates Z: 49 25.498 1.906 0.468 0.707 0.896 0.667 CB 1.216 49 residues pruned to eliminate duplicates Z: 31 16.847 1.950 0.476 0.654 0.867 0.633 CB 1.068 31 residues pruned to eliminate duplicates Z: 31 18.321 1.928 0.734 0.677 0.867 0.600 CB 0.981 31 residues pruned to eliminate duplicates Z: 68 38.503 1.977 0.740 0.741 0.970 0.701 CB 1.135 68 residues pruned to eliminate duplicates Z: 49 33.197 1.954 0.746 0.750 0.958 0.583 CB 1.172 49 residues pruned to eliminate duplicates Z: 69 36.634 1.973 0.717 0.759 0.926 0.721 CB 1.124 69 residues pruned to eliminate duplicates Z: 31 20.733 1.936 0.672 0.668 0.933 0.400 CB 1.072 31 residues pruned to eliminate duplicates Z: 42 21.250 1.886 0.647 0.593 0.902 0.585 CB 1.083 42 residues pruned to eliminate duplicates Z: 42 24.157 1.920 0.710 0.675 0.902 0.561 CB 1.083 42 residues pruned to eliminate duplicates Z: 72 41.079 1.979 0.721 0.748 0.930 0.676 CB 1.233 72 residues pruned to eliminate duplicates Z: 53 26.743 1.960 0.751 0.652 0.827 0.635 CB 1.134 53 residues pruned to eliminate duplicates Z: 68 39.118 1.982 0.709 0.779 0.940 0.642 CB 1.173 68 residues pruned to eliminate duplicates Z: 71 36.589 1.969 0.798 0.712 0.886 0.543 CB 1.151 71 residues pruned to eliminate duplicates Z: 84 41.707 1.944 0.666 0.748 0.940 0.566 CB 1.205 81 residues pruned to eliminate duplicates Z: 18 16.843 1.799 0.683 0.813 0.882 0.412 CB 1.164 19 residues pruned to eliminate duplicates Z: 18 22.252 1.844 0.638 0.883 1.000 0.647 CB 1.292 18 residues pruned to eliminate duplicates Z: 16 17.996 1.832 0.417 0.803 1.000 0.600 CB 1.374 16 residues pruned to eliminate duplicates Z: 72 36.181 1.966 0.744 0.710 0.901 0.634 CB 1.148 72 residues pruned to eliminate duplicates Z: 90 40.244 1.934 0.663 0.732 0.910 0.618 CB 1.183 90 residues pruned to eliminate duplicates Z: 48 26.976 1.921 0.744 0.682 0.894 0.532 CB 1.112 48 residues pruned to eliminate duplicates Z: 18 23.844 1.836 0.826 0.864 1.000 0.647 CB 1.265 18 residues pruned to eliminate duplicates Z: 17 27.764 1.852 0.837 0.888 1.000 0.625 CB 1.470 17 residues pruned to eliminate duplicates Z: 17 25.031 1.790 0.892 0.844 0.938 0.750 O 1.467 17 residues pruned to eliminate duplicates Z: 16 19.805 1.904 0.571 0.796 0.933 0.667 CB 1.414 16 residues pruned to eliminate duplicates Z: 84 42.024 1.958 0.783 0.745 0.916 0.566 CB 1.160 84 residues pruned to eliminate duplicates Z: 88 38.819 1.926 0.689 0.722 0.874 0.598 CB 1.198 88 residues pruned to eliminate duplicates Z: 30 17.916 1.825 0.447 0.618 0.828 0.759 CB 1.363 30 residues pruned to eliminate duplicates Z: 21 19.519 1.752 0.755 0.782 0.900 0.600 CB 1.230 21 residues pruned to eliminate duplicates Z: 78 36.212 1.913 0.686 0.714 0.922 0.558 CB 1.143 78 residues pruned to eliminate duplicates Z: 85 41.199 1.962 0.631 0.775 0.917 0.750 CB 1.201 85 residues pruned to eliminate duplicates Z: 104 37.620 1.916 0.656 0.671 0.835 0.573 CB 1.194 104 residues pruned to eliminate duplicates Z: 15 13.315 1.797 0.525 0.652 0.929 0.643 CB 1.214 15 residues pruned to eliminate duplicates Z: 90 43.326 1.946 0.674 0.757 0.944 0.719 CB 1.188 90 residues pruned to eliminate duplicates Z: 89 42.219 1.954 0.755 0.734 0.932 0.670 CB 1.141 89 residues pruned to eliminate duplicates Z: 62 25.133 1.893 0.548 0.639 0.869 0.410 CB 1.109 62 residues pruned to eliminate duplicates Z: 26 10.542 1.800 0.380 0.458 0.800 0.520 CB 1.108 26 residues pruned to eliminate duplicates Z: 78 37.390 1.931 0.662 0.691 0.948 0.675 CB 1.176 78 residues pruned to eliminate duplicates Z: 95 42.691 1.954 0.744 0.711 0.904 0.585 CB 1.180 95 residues pruned to eliminate duplicates Z: 30 12.592 1.718 0.532 0.525 0.828 0.621 CB 1.048 30 residues pruned to eliminate duplicates Z: 18 24.381 2.022 0.610 0.884 1.000 0.824 CB 1.313 18 residues pruned to eliminate duplicates Z: 19 18.218 1.944 0.532 0.726 0.944 0.722 CB 1.246 19 residues pruned to eliminate duplicates Z: 17 24.926 2.011 0.766 0.924 1.000 0.812 CB 1.232 17 residues pruned to eliminate duplicates Z: 19 24.195 1.950 0.910 0.844 0.944 0.722 CB 1.206 19 residues pruned to eliminate duplicates Z: 23 20.964 1.893 0.776 0.729 0.909 0.545 CB 1.190 23 residues pruned to eliminate duplicates Z: 19 27.400 1.943 0.871 0.874 1.000 0.833 CB 1.293 19 residues pruned to eliminate duplicates Z: 21 21.263 1.852 0.840 0.834 0.950 0.750 CB 1.101 21 residues pruned to eliminate duplicates Z: 24 19.840 1.832 0.784 0.698 0.870 0.565 CB 1.215 24 residues pruned to eliminate duplicates Z: 22 18.789 1.917 0.722 0.752 0.905 0.667 CB 1.097 22 residues pruned to eliminate duplicates Z: 23 18.958 1.887 0.750 0.741 0.864 0.500 CB 1.142 23 residues pruned to eliminate duplicates Z: 27 19.746 1.881 0.634 0.622 0.885 0.615 CB 1.270 27 residues pruned to eliminate duplicates Z: 35 26.623 1.891 0.565 0.763 0.912 0.706 CB 1.340 35 residues pruned to eliminate duplicates Z: 20 27.613 1.955 0.922 0.880 1.000 0.684 CB 1.222 20 residues pruned to eliminate duplicates Z: 50 23.278 1.850 0.651 0.630 0.878 0.429 CB 1.098 50 residues pruned to eliminate duplicates Z: 68 30.297 1.868 0.683 0.693 0.896 0.493 CB 1.102 68 residues pruned to eliminate duplicates Z: 20 26.445 1.983 0.910 0.795 0.947 0.579 CB 1.305 20 residues pruned to eliminate duplicates Z: 29 16.842 1.814 0.637 0.632 0.786 0.536 CB 1.205 29 residues pruned to eliminate duplicates Z: 24 12.137 1.892 0.311 0.503 0.783 0.565 CB 1.299 24 residues pruned to eliminate duplicates Z: 19 12.025 1.908 0.239 0.608 0.833 0.500 CB 1.298 19 residues pruned to eliminate duplicates Z: 9 10.362 1.939 0.183 0.718 0.875 0.625 CB 1.499 9 residues pruned to eliminate duplicates Z: 13 12.717 1.855 0.368 0.612 0.833 0.750 CB 1.561 13 residues pruned to eliminate duplicates Z: 32 17.943 1.887 0.327 0.573 0.806 0.613 CB 1.486 32 residues pruned to eliminate duplicates Z: 14 10.812 1.896 0.284 0.703 0.692 0.692 CB 1.479 14 residues pruned to eliminate duplicates Z: 14 13.091 1.879 0.205 0.814 0.923 0.769 CB 1.322 14 residues pruned to eliminate duplicates Z: 20 13.542 1.902 0.236 0.648 0.789 0.526 N 1.457 20 residues pruned to eliminate duplicates Z: 21 16.883 1.800 0.333 0.716 1.000 0.700 CB 1.293 21 residues pruned to eliminate duplicates Z: 35 22.372 1.924 0.371 0.648 0.882 0.676 CB 1.436 28 residues pruned to eliminate duplicates Z: 19 15.557 1.820 0.306 0.913 0.944 0.722 CB 1.157 19 residues pruned to eliminate duplicates Z: 35 21.776 1.914 0.429 0.617 0.912 0.529 CB 1.339 34 residues pruned to eliminate duplicates Z: 22 18.494 1.817 0.493 0.766 0.905 0.714 CB 1.299 22 residues pruned to eliminate duplicates Z: 33 16.020 1.835 0.362 0.614 0.781 0.656 CB 1.302 33 residues pruned to eliminate duplicates Z: 33 18.988 1.916 0.561 0.615 0.781 0.469 CB 1.289 33 residues pruned to eliminate duplicates Z: 20 15.862 1.984 0.357 0.683 0.842 0.737 CB 1.357 20 residues pruned to eliminate duplicates Z: 33 18.455 1.907 0.363 0.601 0.844 0.531 CB 1.351 31 residues pruned to eliminate duplicates Z: 17 17.692 1.951 0.598 0.865 0.938 0.875 CB 1.108 17 residues pruned to eliminate duplicates Z: 48 24.132 1.899 0.674 0.609 0.830 0.574 CB 1.203 48 residues pruned to eliminate duplicates Z: 51 27.549 1.957 0.507 0.706 0.880 0.600 CB 1.245 51 residues pruned to eliminate duplicates Z: 33 23.573 1.967 0.362 0.702 0.906 0.688 CB 1.428 33 residues pruned to eliminate duplicates Z: 17 22.269 1.919 0.845 0.886 1.000 0.812 CB 1.134 17 residues pruned to eliminate duplicates Z: 23 17.672 1.893 0.545 0.625 0.773 0.500 CB 1.482 23 residues pruned to eliminate duplicates Z: 31 18.692 1.897 0.514 0.649 0.800 0.433 CB 1.293 31 residues pruned to eliminate duplicates Z: 30 23.535 1.996 0.457 0.681 0.931 0.586 CB 1.366 32 residues pruned to eliminate duplicates Z: 18 25.758 1.848 0.885 0.871 0.941 0.765 CB 1.390 18 residues pruned to eliminate duplicates Z: 33 20.598 1.970 0.427 0.657 0.875 0.594 CB 1.280 33 residues pruned to eliminate duplicates Z: 36 25.943 1.935 0.469 0.717 0.886 0.714 CB 1.432 30 residues pruned to eliminate duplicates Z: 17 27.771 1.916 0.855 0.910 0.938 0.938 CB 1.478 17 residues pruned to eliminate duplicates Z: 21 19.264 2.012 0.447 0.696 0.850 0.700 CB 1.455 21 residues pruned to eliminate duplicates Z: 24 17.294 1.976 0.564 0.627 0.783 0.565 CB 1.323 24 residues pruned to eliminate duplicates Z: 32 23.795 1.971 0.351 0.707 0.871 0.710 CB 1.527 32 residues pruned to eliminate duplicates Z: 33 24.782 1.923 0.524 0.676 0.844 0.500 CB 1.507 33 residues pruned to eliminate duplicates Z: 34 16.919 1.901 0.343 0.545 0.818 0.606 CB 1.349 34 residues pruned to eliminate duplicates Z: 11 8.794 1.800 0.183 0.700 0.900 0.900 CB 1.209 11 residues pruned to eliminate duplicates Z: 25 20.889 1.938 0.809 0.799 0.875 0.625 CB 1.070 23 residues pruned to eliminate duplicates Z: 20 25.890 2.008 0.631 0.934 1.000 0.947 CB 1.265 22 residues pruned to eliminate duplicates Z: 18 25.712 2.004 0.804 0.886 0.941 0.706 CB 1.322 18 residues pruned to eliminate duplicates Z: 20 22.524 1.970 0.843 0.859 0.947 0.737 CB 1.106 20 residues pruned to eliminate duplicates Z: 22 27.013 1.935 0.928 0.859 0.952 0.524 CB 1.221 22 residues pruned to eliminate duplicates Z: 18 21.961 2.107 0.716 0.883 0.941 0.824 CB 1.132 18 residues pruned to eliminate duplicates Z: 29 18.645 1.851 0.730 0.702 0.893 0.429 CB 1.025 29 residues pruned to eliminate duplicates Z: 23 16.857 1.892 0.908 0.763 0.773 0.591 CB 1.020 23 residues pruned to eliminate duplicates Z: 22 21.876 1.919 1.002 0.800 0.905 0.667 CB 1.057 22 residues pruned to eliminate duplicates Z: 16 21.746 2.077 1.014 0.862 0.933 0.600 CB 1.056 16 residues pruned to eliminate duplicates Z: 23 18.988 1.928 0.878 0.863 0.864 0.545 CB 0.950 23 residues pruned to eliminate duplicates Z: 20 20.208 1.960 0.953 0.815 0.842 0.421 CB 1.094 20 residues pruned to eliminate duplicates Z: 18 21.346 2.087 0.921 0.891 0.941 0.706 CB 0.987 18 residues pruned to eliminate duplicates Z: 35 28.683 1.956 0.694 0.813 0.912 0.735 CB 1.240 35 residues pruned to eliminate duplicates Z: 15 23.153 1.841 0.722 0.912 1.000 0.929 CB 1.383 15 residues pruned to eliminate duplicates Z: 38 29.185 1.902 0.779 0.796 0.892 0.649 CB 1.227 38 residues pruned to eliminate duplicates Z: 37 28.744 1.905 0.694 0.778 0.944 0.611 CB 1.230 37 residues pruned to eliminate duplicates Z: 36 25.583 1.870 0.693 0.759 0.914 0.600 CB 1.187 33 residues pruned to eliminate duplicates Z: 13 18.250 1.923 0.513 0.872 1.000 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 31 24.917 1.947 0.892 0.775 0.933 0.333 CB 1.038 31 residues pruned to eliminate duplicates Z: 33 28.348 1.965 0.890 0.811 0.906 0.594 CB 1.136 33 residues pruned to eliminate duplicates Z: 17 19.271 1.793 0.871 0.764 0.875 0.438 N 1.299 17 residues pruned to eliminate duplicates Z: 19 19.116 1.837 0.710 0.788 0.833 0.611 N 1.336 19 residues pruned to eliminate duplicates Z: 21 19.950 1.778 0.806 0.688 0.950 0.450 CB 1.231 21 residues pruned to eliminate duplicates Z: 38 30.632 1.935 0.741 0.806 0.919 0.676 CB 1.246 37 residues pruned to eliminate duplicates Z: 18 25.934 1.857 0.799 0.940 1.000 0.765 N 1.308 19 residues pruned to eliminate duplicates Z: 20 21.276 1.756 0.826 0.878 0.895 0.789 CB 1.235 20 residues pruned to eliminate duplicates Z: 35 26.289 1.928 0.835 0.671 0.882 0.676 CB 1.234 35 residues pruned to eliminate duplicates Z: 35 27.950 1.910 0.882 0.758 0.853 0.588 CB 1.243 35 residues pruned to eliminate duplicates Z: 16 19.031 1.808 0.670 0.830 1.000 0.733 CB 1.223 16 residues pruned to eliminate duplicates Z: 40 29.661 1.893 0.839 0.815 0.949 0.436 CB 1.093 40 residues pruned to eliminate duplicates Z: 37 29.327 1.943 0.873 0.808 0.944 0.694 CB 1.087 37 residues pruned to eliminate duplicates Z: 20 6.986 1.511 0.580 0.489 0.632 0.211 N 1.074 20 residues pruned to eliminate duplicates Z: 22 22.185 1.897 0.573 0.884 0.905 0.762 CB 1.296 22 residues pruned to eliminate duplicates Z: 19 10.934 1.870 0.312 0.631 0.778 0.556 CB 1.195 19 residues pruned to eliminate duplicates Z: 19 7.747 1.721 0.563 0.416 0.722 0.333 CB 1.026 19 residues pruned to eliminate duplicates Z: 17 10.920 1.864 0.561 0.692 0.750 0.625 CB 1.050 17 residues pruned to eliminate duplicates Z: 22 17.584 1.974 0.470 0.790 0.952 0.810 CB 1.076 22 residues pruned to eliminate duplicates Z: 22 16.631 1.847 0.313 0.771 0.905 0.762 CB 1.301 22 residues pruned to eliminate duplicates Z: 7 5.530 1.597 0.506 0.714 0.667 0.500 N 1.160 7 residues pruned to eliminate duplicates Z: 23 24.062 1.844 0.527 0.938 1.000 0.909 CB 1.267 23 residues pruned to eliminate duplicates Z: 17 13.980 1.866 0.594 0.749 0.875 0.625 CB 1.074 17 residues pruned to eliminate duplicates Z: 19 15.249 1.837 0.641 0.650 0.833 0.556 CB 1.244 19 residues pruned to eliminate duplicates Z: 21 13.745 1.763 0.540 0.759 0.800 0.500 CB 1.124 21 residues pruned to eliminate duplicates Z: 25 22.088 1.974 0.546 0.775 0.917 0.625 CB 1.264 25 residues pruned to eliminate duplicates Z: 27 21.777 1.879 0.579 0.818 0.885 0.577 CB 1.235 27 residues pruned to eliminate duplicates Z: 23 20.173 1.938 0.539 0.768 0.909 0.636 CB 1.251 23 residues pruned to eliminate duplicates Z: 23 28.217 1.925 0.695 0.923 1.000 0.727 CB 1.295 23 residues pruned to eliminate duplicates Z: 25 21.869 1.767 0.647 0.865 0.958 0.750 CB 1.172 24 residues pruned to eliminate duplicates Z: 23 20.649 1.821 0.801 0.851 0.818 0.409 CB 1.215 23 residues pruned to eliminate duplicates Z: 23 23.943 1.889 0.758 0.883 0.955 0.545 CB 1.165 23 residues pruned to eliminate duplicates Z: 16 15.569 1.910 0.717 0.745 0.933 0.533 CB 1.055 16 residues pruned to eliminate duplicates Z: 18 18.027 1.796 0.700 0.850 0.941 0.353 CB 1.127 18 residues pruned to eliminate duplicates Z: 18 17.192 1.830 0.575 0.719 0.941 0.353 CB 1.261 18 residues pruned to eliminate duplicates Z: 14 9.251 1.838 0.524 0.511 0.769 0.000 CB 1.178 14 residues pruned to eliminate duplicates Z: 17 10.227 1.764 0.682 0.441 0.812 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 19 18.289 1.894 0.613 0.605 1.000 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 24 14.156 1.853 0.364 0.616 0.957 0.565 CB 1.094 15 residues pruned to eliminate duplicates Z: 21 23.551 1.874 0.432 0.868 1.000 0.850 CB 1.435 21 residues pruned to eliminate duplicates Z: 45 26.151 1.936 0.553 0.632 0.864 0.568 CB 1.341 41 residues pruned to eliminate duplicates Z: 19 26.197 2.019 0.543 0.922 1.000 0.889 CB 1.393 19 residues pruned to eliminate duplicates Z: 25 19.676 1.889 0.460 0.709 0.917 0.750 CB 1.314 30 residues pruned to eliminate duplicates Z: 18 22.565 2.060 0.380 0.905 1.000 0.882 CB 1.371 18 residues pruned to eliminate duplicates Z: 21 24.051 1.999 0.572 0.799 1.000 0.900 CB 1.317 23 residues pruned to eliminate duplicates Z: 19 24.451 2.041 0.494 0.880 1.000 0.722 CB 1.370 21 residues pruned to eliminate duplicates Z: 18 24.003 2.068 0.475 0.896 1.000 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 22 22.339 1.969 0.471 0.809 0.952 0.810 CB 1.350 21 residues pruned to eliminate duplicates Z: 18 25.994 2.091 0.560 0.914 1.000 0.941 CB 1.366 18 residues pruned to eliminate duplicates Z: 20 25.130 2.018 0.461 0.845 1.000 0.789 CB 1.454 20 residues pruned to eliminate duplicates Z: 32 16.465 1.955 0.438 0.597 0.839 0.645 CB 1.143 32 residues pruned to eliminate duplicates Z: 24 19.375 1.959 0.548 0.707 0.870 0.696 CB 1.270 24 residues pruned to eliminate duplicates Z: 30 17.194 1.937 0.522 0.636 0.862 0.655 CB 1.106 30 residues pruned to eliminate duplicates Z: 25 18.983 1.972 0.403 0.686 0.917 0.708 CB 1.289 25 residues pruned to eliminate duplicates Z: 23 19.720 1.949 0.521 0.762 0.955 0.818 CB 1.177 23 residues pruned to eliminate duplicates Z: 26 20.272 1.951 0.538 0.657 0.880 0.760 CB 1.327 24 residues pruned to eliminate duplicates Z: 20 24.657 1.993 0.522 0.860 1.000 0.842 CB 1.371 20 residues pruned to eliminate duplicates Z: 26 18.643 1.933 0.567 0.714 0.840 0.640 CB 1.207 26 residues pruned to eliminate duplicates Z: 47 25.383 1.908 0.471 0.667 0.891 0.761 CB 1.282 47 residues pruned to eliminate duplicates Z: 37 23.652 1.983 0.615 0.723 0.861 0.722 CB 1.169 37 residues pruned to eliminate duplicates Z: 20 26.979 1.992 0.658 0.768 0.947 0.789 CB 1.560 20 residues pruned to eliminate duplicates Z: 20 25.012 2.075 0.625 0.714 0.895 0.632 CB 1.566 20 residues pruned to eliminate duplicates Z: 23 21.220 1.912 0.619 0.676 0.909 0.727 CB 1.367 23 residues pruned to eliminate duplicates Z: 16 32.939 2.137 0.752 0.855 1.000 0.800 CB 1.676 16 residues pruned to eliminate duplicates Z: 17 24.497 2.056 0.602 0.721 0.938 0.625 CB 1.625 17 residues pruned to eliminate duplicates Z: 46 27.485 1.936 0.648 0.690 0.889 0.489 CB 1.214 46 residues pruned to eliminate duplicates Z: 20 25.770 2.030 0.772 0.754 0.947 0.632 CB 1.383 20 residues pruned to eliminate duplicates Z: 19 17.281 1.956 0.459 0.671 0.833 0.333 CB 1.463 19 residues pruned to eliminate duplicates Z: 18 21.917 2.095 0.585 0.735 0.941 0.824 CB 1.378 18 residues pruned to eliminate duplicates Z: 16 20.911 2.093 0.420 0.751 0.933 0.733 CB 1.555 16 residues pruned to eliminate duplicates Z: 40 32.004 1.991 0.607 0.724 0.923 0.692 CB 1.417 40 residues pruned to eliminate duplicates Z: 19 22.506 2.041 0.643 0.721 0.889 0.833 CB 1.459 19 residues pruned to eliminate duplicates Z: 22 20.361 1.988 0.689 0.652 0.810 0.571 CB 1.419 22 residues pruned to eliminate duplicates Z: 18 26.449 2.107 0.767 0.759 0.882 0.882 CB 1.551 18 residues pruned to eliminate duplicates Z: 22 22.855 2.003 0.671 0.738 0.857 0.810 CB 1.404 22 residues pruned to eliminate duplicates Z: 20 21.919 1.978 0.596 0.756 0.947 0.842 CB 1.338 20 residues pruned to eliminate duplicates Z: 16 33.419 2.127 0.773 0.879 1.000 0.933 CB 1.659 16 residues pruned to eliminate duplicates Z: 17 19.246 1.936 0.779 0.717 0.875 0.562 CB 1.312 17 residues pruned to eliminate duplicates Z: 17 19.932 1.919 0.911 0.694 0.875 0.750 CB 1.300 18 residues pruned to eliminate duplicates Z: 19 19.354 1.875 0.835 0.778 0.889 0.722 CB 1.167 19 residues pruned to eliminate duplicates Z: 18 22.890 1.943 0.668 0.769 0.941 0.765 CB 1.435 18 residues pruned to eliminate duplicates Z: 17 20.642 1.909 0.956 0.836 0.938 0.625 CB 1.104 25 residues pruned to eliminate duplicates Z: 14 25.785 2.003 0.939 0.908 1.000 0.615 CB 1.308 14 residues pruned to eliminate duplicates Z: 18 23.381 1.912 0.921 0.831 0.941 0.588 CB 1.232 18 residues pruned to eliminate duplicates Z: 21 18.918 1.814 0.784 0.686 0.950 0.450 CB 1.160 21 residues pruned to eliminate duplicates Z: 26 13.370 1.757 0.754 0.516 0.840 0.520 CB 1.017 18 residues pruned to eliminate duplicates Z: 19 22.850 1.845 0.824 0.918 1.000 0.611 CB 1.128 19 residues pruned to eliminate duplicates Z: 18 23.447 1.769 0.931 0.921 0.941 0.824 CB 1.245 27 residues pruned to eliminate duplicates Z: 19 21.778 1.820 0.969 0.845 0.889 0.667 CB 1.198 18 residues pruned to eliminate duplicates Z: 20 23.898 1.822 0.938 0.899 1.000 0.737 CB 1.110 19 residues pruned to eliminate duplicates Z: 20 17.555 1.906 0.479 0.814 0.947 0.842 CB 1.147 18 residues pruned to eliminate duplicates Z: 22 22.668 1.855 0.591 0.937 1.000 0.905 CB 1.166 22 residues pruned to eliminate duplicates Z: 16 12.770 1.899 0.263 0.741 1.000 0.733 CB 1.109 16 residues pruned to eliminate duplicates Z: 15 15.064 1.993 0.473 0.783 0.929 0.786 CB 1.152 15 residues pruned to eliminate duplicates Z: 14 15.064 1.951 0.554 0.768 1.000 0.692 CB 1.087 14 residues pruned to eliminate duplicates Z: 18 12.655 1.863 0.269 0.630 1.000 0.706 CB 1.149 17 residues pruned to eliminate duplicates Z: 19 18.161 1.944 0.595 0.861 0.889 0.778 CB 1.141 19 residues pruned to eliminate duplicates Z: 37 22.057 1.906 0.546 0.644 0.861 0.639 CB 1.266 37 residues pruned to eliminate duplicates Z: 16 20.459 1.949 0.661 0.788 1.000 0.733 CB 1.267 16 residues pruned to eliminate duplicates Z: 18 22.660 1.957 0.669 0.868 0.941 0.824 CB 1.307 18 residues pruned to eliminate duplicates Z: 41 23.731 1.878 0.482 0.691 0.925 0.600 CB 1.224 41 residues pruned to eliminate duplicates Z: 28 16.833 1.835 0.540 0.681 0.926 0.667 CB 1.048 28 residues pruned to eliminate duplicates Z: 19 19.655 1.875 1.043 0.885 0.889 0.389 CB 0.982 19 residues pruned to eliminate duplicates Z: 18 14.860 1.807 0.634 0.683 0.882 0.588 CB 1.170 18 residues pruned to eliminate duplicates Z: 18 15.430 1.873 0.940 0.854 0.824 0.176 CB 0.924 18 residues pruned to eliminate duplicates Z: 14 22.643 2.020 1.048 0.875 0.923 0.385 CB 1.196 14 residues pruned to eliminate duplicates Z: 27 15.781 1.851 0.835 0.626 0.769 0.308 CB 1.052 27 residues pruned to eliminate duplicates Z: 19 19.446 1.917 0.906 0.654 0.889 0.389 CB 1.224 19 residues pruned to eliminate duplicates Z: 29 20.552 1.860 0.741 0.613 0.857 0.393 CB 1.256 29 residues pruned to eliminate duplicates Z: 26 17.875 1.809 0.902 0.630 0.880 0.400 CB 1.045 26 residues pruned to eliminate duplicates Z: 35 21.747 1.856 0.695 0.723 0.912 0.500 CB 1.064 35 residues pruned to eliminate duplicates Z: 26 14.624 1.781 0.632 0.567 0.760 0.480 CB 1.241 26 residues pruned to eliminate duplicates Z: 34 25.678 1.924 0.771 0.714 0.909 0.576 CB 1.189 34 residues pruned to eliminate duplicates Z: 39 25.817 1.910 0.672 0.690 0.868 0.632 CB 1.269 39 residues pruned to eliminate duplicates Z: 34 25.281 1.888 0.844 0.683 0.939 0.394 CB 1.137 34 residues pruned to eliminate duplicates Z: 20 16.569 1.923 0.643 0.651 0.895 0.632 CB 1.168 19 residues pruned to eliminate duplicates Z: 14 19.525 1.897 0.644 0.815 0.923 0.769 CB 1.430 15 residues pruned to eliminate duplicates Z: 14 19.968 1.901 0.594 0.894 1.000 0.692 CB 1.311 14 residues pruned to eliminate duplicates Z: 13 21.068 1.961 0.609 0.847 1.000 0.917 CB 1.430 13 residues pruned to eliminate duplicates Z: 13 20.048 1.992 0.568 0.835 1.000 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 34 27.803 1.966 0.692 0.766 0.939 0.667 CB 1.224 34 residues pruned to eliminate duplicates Z: 13 8.079 1.771 0.191 0.552 0.833 0.417 CB 1.261 13 residues pruned to eliminate duplicates Z: 41 28.338 1.855 0.746 0.707 0.925 0.550 CB 1.239 41 residues pruned to eliminate duplicates Z: 19 13.492 1.775 0.597 0.632 0.778 0.556 CB 1.274 19 residues pruned to eliminate duplicates Z: 16 10.832 1.602 0.600 0.508 0.867 0.400 CB 1.248 9 residues pruned to eliminate duplicates Z: 14 21.710 1.870 0.811 0.871 1.000 0.615 CB 1.296 14 residues pruned to eliminate duplicates Z: 29 16.273 1.745 0.536 0.561 0.857 0.536 CB 1.262 26 residues pruned to eliminate duplicates Z: 19 16.901 1.799 0.764 0.731 0.889 0.556 CB 1.147 18 residues pruned to eliminate duplicates Z: 16 17.266 1.770 0.805 0.796 0.933 0.667 CB 1.153 16 residues pruned to eliminate duplicates Z: 10 5.176 1.607 0.281 0.618 0.667 0.444 CB 1.124 10 residues pruned to eliminate duplicates Z: 16 13.284 1.751 0.347 0.659 0.933 0.400 CB 1.344 16 residues pruned to eliminate duplicates Z: 11 9.071 1.624 0.540 0.586 0.800 0.700 CB 1.319 11 residues pruned to eliminate duplicates Z: 17 12.085 1.711 0.500 0.632 0.875 0.688 CB 1.189 17 residues pruned to eliminate duplicates Z: 21 16.069 1.782 0.587 0.655 0.900 0.450 CB 1.222 25 residues pruned to eliminate duplicates Z: 15 22.408 1.820 0.680 0.887 1.000 0.929 CB 1.412 15 residues pruned to eliminate duplicates Z: 12 14.095 1.750 0.657 0.814 1.000 0.818 CB 1.115 12 residues pruned to eliminate duplicates Z: 15 8.617 1.644 0.696 0.476 0.786 0.429 CB 1.077 15 residues pruned to eliminate duplicates Z: 14 13.998 1.732 0.902 0.781 0.769 0.385 CB 1.195 14 residues pruned to eliminate duplicates Z: 11 15.172 1.730 0.758 0.905 0.900 0.600 N 1.247 11 residues pruned to eliminate duplicates Z: 22 14.332 1.719 0.591 0.703 0.905 0.429 CB 1.051 22 residues pruned to eliminate duplicates Z: 6 4.862 1.661 0.614 0.633 1.000 0.400 CB 0.716 6 residues pruned to eliminate duplicates Z: 12 15.235 1.692 1.001 0.903 0.909 0.818 CB 1.063 12 residues pruned to eliminate duplicates Z: 12 5.914 1.593 0.244 0.615 0.909 0.455 CB 0.887 8 residues pruned to eliminate duplicates Z: 10 7.618 1.576 0.682 0.799 0.889 0.556 CB 0.830 10 residues pruned to eliminate duplicates Z: 16 8.410 1.645 0.567 0.616 0.933 0.600 CB 0.809 16 residues pruned to eliminate duplicates Z: 6 5.439 1.559 0.509 0.842 1.000 0.400 CB 0.770 6 residues pruned to eliminate duplicates Z: 24 10.663 1.793 0.497 0.658 0.826 0.478 CB 0.866 24 residues pruned to eliminate duplicates Z: 17 17.822 1.794 0.549 0.917 1.000 0.812 CB 1.132 22 residues pruned to eliminate duplicates Z: 20 13.683 1.764 0.520 0.938 1.000 0.947 CB 0.814 20 residues pruned to eliminate duplicates Z: 19 10.990 1.721 0.645 0.811 1.000 0.722 CB 0.698 14 residues pruned to eliminate duplicates Z: 19 16.624 1.852 0.636 0.937 1.000 0.944 CB 0.900 19 residues pruned to eliminate duplicates Z: 13 13.790 1.953 0.499 0.891 1.000 0.833 CB 0.978 13 residues pruned to eliminate duplicates Z: 33 16.562 1.808 0.686 0.717 0.844 0.531 CB 0.935 33 residues pruned to eliminate duplicates Z: 22 9.360 1.810 0.157 0.670 0.952 0.381 CB 0.875 22 residues pruned to eliminate duplicates Z: 14 11.449 1.859 0.350 0.842 0.923 0.615 CB 1.021 14 residues pruned to eliminate duplicates Z: 14 10.841 1.856 0.544 0.816 0.846 0.769 CB 0.942 14 residues pruned to eliminate duplicates Z: 17 13.454 1.803 0.656 0.771 0.938 0.688 CB 0.946 17 residues pruned to eliminate duplicates Z: 18 10.539 1.828 0.440 0.685 0.882 0.706 CB 0.928 18 residues pruned to eliminate duplicates Z: 29 16.293 1.766 0.494 0.696 0.964 0.571 CB 1.012 29 residues pruned to eliminate duplicates Z: 33 11.686 1.627 0.543 0.488 0.812 0.500 CB 1.025 33 residues pruned to eliminate duplicates Z: 12 13.213 1.968 0.673 0.798 0.909 0.909 CB 1.026 12 residues pruned to eliminate duplicates Z: 25 13.534 1.829 0.489 0.730 0.875 0.500 CB 0.942 25 residues pruned to eliminate duplicates Z: 10 7.408 1.780 0.415 0.530 0.778 0.222 CB 1.223 10 residues pruned to eliminate duplicates Z: 7 6.998 1.897 0.221 0.497 1.000 0.000 CB 1.237 7 residues pruned to eliminate duplicates Z: 21 12.554 1.882 0.735 0.732 0.850 0.400 CB 0.821 21 residues pruned to eliminate duplicates Z: 22 13.176 1.849 0.754 0.732 0.810 0.619 CB 0.888 22 residues pruned to eliminate duplicates Z: 21 10.509 1.831 0.711 0.601 0.750 0.300 CB 0.908 21 residues pruned to eliminate duplicates Z: 13 9.376 1.750 0.260 0.717 0.917 0.417 CB 1.100 13 residues pruned to eliminate duplicates Z: 20 9.564 1.676 0.522 0.570 0.789 0.368 CB 1.019 20 residues pruned to eliminate duplicates Z: 8 5.818 1.795 0.664 0.684 0.714 0.286 CB 0.870 8 residues pruned to eliminate duplicates Z: 11 11.928 1.829 0.620 0.767 0.900 0.200 CB 1.116 11 residues pruned to eliminate duplicates Z: 11 9.416 1.772 0.623 0.765 1.000 0.700 CB 0.818 11 residues pruned to eliminate duplicates Z: 14 12.277 1.797 0.646 0.769 0.923 0.692 CB 0.983 14 residues pruned to eliminate duplicates Z: 32 12.986 1.792 0.648 0.637 0.871 0.419 CB 0.798 32 residues pruned to eliminate duplicates Z: 38 12.836 1.710 0.608 0.607 0.784 0.514 CB 0.884 38 residues pruned to eliminate duplicates Z: 7 2.645 1.486 0.195 0.316 0.833 0.500 CB 0.894 Z: 15 11.492 1.679 0.768 0.803 0.929 0.571 CB 0.855 22 residues pruned to eliminate duplicates Z: 10 3.610 1.654 0.336 0.266 0.778 0.667 CB 0.914 Z: 6 3.338 1.500 0.425 0.255 1.000 0.400 CB 0.925 12 residues pruned to eliminate duplicates Z: 23 14.885 1.704 0.594 0.812 0.909 0.727 CB 0.980 22 residues pruned to eliminate duplicates Z: 20 17.259 1.776 0.802 0.887 0.947 0.842 CB 0.941 20 residues pruned to eliminate duplicates Z: 6 2.564 1.651 0.255 0.652 0.800 0.600 CB 0.601 6 residues pruned to eliminate duplicates Z: 10 8.197 1.634 0.681 0.628 0.778 0.444 N 1.134 10 residues pruned to eliminate duplicates Z: 17 14.198 1.790 0.691 0.804 0.938 0.625 CB 0.959 17 residues pruned to eliminate duplicates Z: 17 20.154 1.824 0.824 0.834 1.000 0.688 CB 1.135 17 residues pruned to eliminate duplicates Z: 21 17.410 1.729 0.907 0.653 0.900 0.750 CB 1.138 21 residues pruned to eliminate duplicates Z: 31 13.033 1.697 0.520 0.568 0.867 0.567 CB 0.996 31 residues pruned to eliminate duplicates Z: 16 14.371 1.726 0.752 0.749 0.933 0.533 CB 1.052 16 residues pruned to eliminate duplicates Z: 10 12.827 1.856 0.806 0.715 1.000 0.444 CB 1.050 10 residues pruned to eliminate duplicates Z: 17 10.553 1.644 0.729 0.600 0.812 0.312 CB 1.039 17 residues pruned to eliminate duplicates Z: 19 13.987 1.770 0.860 0.676 0.889 0.333 CB 0.958 19 residues pruned to eliminate duplicates Z: 17 13.823 1.816 0.761 0.802 0.875 0.250 CB 0.948 17 residues pruned to eliminate duplicates Z: 27 11.265 1.666 0.633 0.499 0.769 0.385 CB 1.057 27 residues pruned to eliminate duplicates Z: 15 16.500 1.775 1.185 0.896 0.857 0.357 CB 0.950 15 residues pruned to eliminate duplicates Z: 16 16.655 1.852 0.981 0.795 0.867 0.400 CB 1.044 16 residues pruned to eliminate duplicates Z: 38 14.341 1.720 0.562 0.583 0.811 0.405 CB 1.000 38 residues pruned to eliminate duplicates Z: 16 16.909 1.869 0.990 0.858 1.000 0.667 CB 0.865 16 residues pruned to eliminate duplicates Z: 19 15.499 1.822 0.884 0.719 0.944 0.500 CB 0.924 19 residues pruned to eliminate duplicates Z: 27 10.469 1.715 0.432 0.498 0.846 0.500 CB 0.990 29 residues pruned to eliminate duplicates Z: 18 15.391 1.787 0.597 0.779 0.941 0.647 CB 1.086 18 residues pruned to eliminate duplicates Z: 6 2.586 1.566 0.342 0.311 0.800 0.400 CB 0.848 6 residues pruned to eliminate duplicates Z: 28 11.571 1.701 0.396 0.514 0.815 0.519 CB 1.134 28 residues pruned to eliminate duplicates Z: 14 13.556 1.790 0.486 0.780 0.923 0.615 CB 1.196 14 residues pruned to eliminate duplicates Z: 12 10.735 1.733 0.622 0.693 0.909 0.727 CB 1.062 12 residues pruned to eliminate duplicates Z: 14 12.293 1.719 0.480 0.725 0.923 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 13.899 1.732 0.673 0.776 1.000 0.417 CB 1.086 13 residues pruned to eliminate duplicates Z: 14 12.833 1.750 0.420 0.751 1.000 0.692 CB 1.146 14 residues pruned to eliminate duplicates Z: 12 14.121 1.768 0.554 0.842 0.909 0.364 CB 1.270 12 residues pruned to eliminate duplicates Z: 14 11.339 1.775 0.352 0.771 0.846 0.692 CB 1.218 14 residues pruned to eliminate duplicates Z: 15 14.337 1.790 0.627 0.766 0.929 0.643 CB 1.119 15 residues pruned to eliminate duplicates Z: 13 14.624 1.725 0.699 0.781 1.000 0.667 CB 1.124 13 residues pruned to eliminate duplicates Z: 12 17.798 1.812 0.731 0.904 1.000 0.909 CB 1.219 12 residues pruned to eliminate duplicates Z: 16 16.120 1.799 0.582 0.825 0.933 0.667 CB 1.184 16 residues pruned to eliminate duplicates Z: 16 14.913 1.780 0.662 0.790 0.933 0.600 CB 1.081 16 residues pruned to eliminate duplicates Z: 19 14.815 1.801 0.600 0.665 0.944 0.667 CB 1.101 19 residues pruned to eliminate duplicates Z: 19 16.501 1.740 0.695 0.724 1.000 0.500 CB 1.078 15 residues pruned to eliminate duplicates Z: 18 14.971 1.697 0.794 0.724 0.882 0.412 CB 1.104 18 residues pruned to eliminate duplicates Z: 20 13.924 1.729 0.578 0.703 0.895 0.632 CB 1.087 20 residues pruned to eliminate duplicates Z: 14 16.207 1.842 0.425 0.902 1.000 0.923 CB 1.221 14 residues pruned to eliminate duplicates Z: 12 17.029 1.915 0.574 0.901 0.909 0.909 CB 1.338 12 residues pruned to eliminate duplicates Z: 16 12.290 1.781 0.341 0.721 0.867 0.800 CB 1.255 16 residues pruned to eliminate duplicates Z: 14 19.845 1.853 0.655 0.912 1.000 0.923 CB 1.272 17 residues pruned to eliminate duplicates Z: 13 15.806 1.854 0.421 0.902 1.000 1.000 CB 1.235 13 residues pruned to eliminate duplicates Z: 17 15.339 1.782 0.550 0.705 0.938 0.750 CB 1.229 17 residues pruned to eliminate duplicates Z: 14 14.494 1.839 0.635 0.778 0.923 0.846 CB 1.133 14 residues pruned to eliminate duplicates Z: 15 13.923 1.837 0.443 0.735 0.929 0.857 CB 1.224 15 residues pruned to eliminate duplicates Z: 14 15.015 1.832 0.908 0.721 0.846 0.462 CB 1.153 14 residues pruned to eliminate duplicates Z: 14 18.684 1.834 0.625 0.816 1.000 0.692 CB 1.322 14 residues pruned to eliminate duplicates Z: 14 19.556 1.833 0.791 0.869 1.000 0.923 CB 1.207 14 residues pruned to eliminate duplicates Z: 16 17.735 1.768 0.692 0.816 1.000 0.867 CB 1.163 16 residues pruned to eliminate duplicates 821 residues left after pruning, divided into chains as follows: A: 15 B: 9 C: 18 D: 37 E: 37 F: 39 G: 19 H: 18 I: 36 J: 36 K: 56 L: 148 M: 42 N: 25 O: 111 P: 16 Q: 62 R: 83 S: 14 CC for partial structure against native data = 42.32 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.651, Connect. = 0.723 for dens.mod. cycle 1 = 0.302, Contrast = 0.734, Connect. = 0.749 for dens.mod. cycle 2 = 0.302, Contrast = 0.876, Connect. = 0.775 for dens.mod. cycle 3 = 0.302, Contrast = 0.887, Connect. = 0.775 for dens.mod. cycle 4 = 0.302, Contrast = 0.898, Connect. = 0.775 for dens.mod. cycle 5 = 0.302, Contrast = 0.897, Connect. = 0.775 for dens.mod. cycle 6 = 0.302, Contrast = 0.898, Connect. = 0.776 for dens.mod. cycle 7 = 0.302, Contrast = 0.895, Connect. = 0.776 for dens.mod. cycle 8 = 0.302, Contrast = 0.893, Connect. = 0.776 for dens.mod. cycle 9 = 0.302, Contrast = 0.890, Connect. = 0.776 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 0.769 0.755 0.780 0.767 0.718 0.663 0.625 0.578 0.495 0.451 0.896 0.862 0.877 0.883 0.843 0.776 0.738 0.679 0.586 0.525 N 4780 4771 4793 4883 4806 4810 4691 5018 4494 4669 Estimated mean FOM = 0.662 Pseudo-free CC = 68.60 % Best trace (cycle 2 with CC 44.51%) 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 13.6 - Sphere of influence 0.6 - Rest of density modification 0.0 - Alpha-helix search 650.3 - Tripeptide search 8008.9 - Chain tracing 0.0 - NCS analysis 69.0 - B-value refinement for trace 0.3 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 03:33:50 Total time: 8748.94 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 146.77 Used memory is bytes: 57532360